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+ -150:sc= 0.0563 (180deg=-0.00289) USER MOD Single : A 0 THR OG1 : rot 180:sc= 0.0498 USER MOD Single : A 1 MET CE :methyl 150:sc= -2.16 (180deg=-3.22!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.122 K(o=-0.12,f=-3.2!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.477 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 104:sc= 0.648 USER MOD Single : A 36 SER OG : rot 81:sc= 0.456 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.169 USER MOD Single : A 55 LYS NZ :NH3+ 158:sc= 1.06 (180deg=0.833) USER MOD Single : A 57 HIS : no HD1:sc= -0.352 X(o=-0.35,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -130:sc= 0.115 (180deg=-1.24) USER MOD Single : A 63 ASN : amide:sc= 0.0264 K(o=0.026,f=-0.64) USER MOD Single : A 69 HIS : no HD1:sc= -0.983 K(o=-0.98,f=-0.3) USER MOD Single : A 73 MET CE :methyl -114:sc= -0.0337 (180deg=-1.15) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -0.263 USER MOD ----------------------------------------------------------------- ATOM 180 N THR A 0 3.745 -7.060 -13.250 1.00 0.00 N ATOM 181 CA THR A 0 3.962 -5.819 -13.989 1.00 0.00 C ATOM 182 C THR A 0 5.452 -5.447 -13.948 1.00 0.00 C ATOM 183 O THR A 0 6.118 -5.642 -12.937 1.00 0.00 O ATOM 184 CB THR A 0 3.096 -4.660 -13.390 1.00 0.00 C ATOM 185 OG1 THR A 0 3.251 -4.612 -11.966 1.00 0.00 O ATOM 186 CG2 THR A 0 1.616 -4.813 -13.733 1.00 0.00 C ATOM 0 H1 THR A 0 2.940 -7.573 -13.662 1.00 0.00 H new ATOM 0 H2 THR A 0 4.598 -7.652 -13.307 1.00 0.00 H new ATOM 0 H3 THR A 0 3.542 -6.840 -12.254 1.00 0.00 H new ATOM 0 HA THR A 0 3.658 -5.969 -15.025 1.00 0.00 H new ATOM 0 HB THR A 0 3.451 -3.730 -13.835 1.00 0.00 H new ATOM 0 HG1 THR A 0 2.707 -3.883 -11.602 1.00 0.00 H new ATOM 0 HG21 THR A 0 1.054 -3.987 -13.297 1.00 0.00 H new ATOM 0 HG22 THR A 0 1.491 -4.805 -14.816 1.00 0.00 H new ATOM 0 HG23 THR A 0 1.245 -5.756 -13.332 1.00 0.00 H new ATOM 194 N MET A 1 5.962 -4.921 -15.059 1.00 0.00 N ATOM 195 CA MET A 1 7.364 -4.507 -15.197 1.00 0.00 C ATOM 196 C MET A 1 7.503 -2.997 -14.925 1.00 0.00 C ATOM 197 O MET A 1 6.610 -2.218 -15.265 1.00 0.00 O ATOM 198 CB MET A 1 7.869 -4.864 -16.617 1.00 0.00 C ATOM 199 CG MET A 1 7.110 -4.211 -17.777 1.00 0.00 C ATOM 200 SD MET A 1 7.768 -4.698 -19.382 1.00 0.00 S ATOM 201 CE MET A 1 6.702 -3.784 -20.484 1.00 0.00 C ATOM 0 H MET A 1 5.409 -4.767 -15.902 1.00 0.00 H new ATOM 0 HA MET A 1 7.974 -5.037 -14.465 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.919 -4.582 -16.690 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.820 -5.946 -16.739 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.057 -4.485 -17.720 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.163 -3.127 -17.679 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.247 -3.536 -21.395 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.832 -4.391 -20.735 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.375 -2.866 -19.996 1.00 0.00 H new ATOM 211 N GLU A 2 8.619 -2.606 -14.285 1.00 0.00 N ATOM 212 CA GLU A 2 8.932 -1.197 -13.957 1.00 0.00 C ATOM 213 C GLU A 2 9.792 -0.597 -15.086 1.00 0.00 C ATOM 214 O GLU A 2 10.817 -1.172 -15.441 1.00 0.00 O ATOM 215 CB GLU A 2 9.697 -1.136 -12.609 1.00 0.00 C ATOM 216 CG GLU A 2 10.000 0.275 -12.073 1.00 0.00 C ATOM 217 CD GLU A 2 10.974 0.243 -10.879 1.00 0.00 C ATOM 218 OE1 GLU A 2 12.197 0.091 -11.106 1.00 0.00 O ATOM 219 OE2 GLU A 2 10.531 0.328 -9.715 1.00 0.00 O ATOM 0 H GLU A 2 9.337 -3.262 -13.977 1.00 0.00 H new ATOM 0 HA GLU A 2 8.010 -0.623 -13.863 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.116 -1.672 -11.859 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.640 -1.671 -12.724 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.426 0.882 -12.872 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.070 0.755 -11.769 1.00 0.00 H new ATOM 226 N LEU A 3 9.376 0.550 -15.650 1.00 0.00 N ATOM 227 CA LEU A 3 10.064 1.177 -16.800 1.00 0.00 C ATOM 228 C LEU A 3 10.455 2.613 -16.455 1.00 0.00 C ATOM 229 O LEU A 3 9.745 3.270 -15.700 1.00 0.00 O ATOM 230 CB LEU A 3 9.152 1.195 -18.065 1.00 0.00 C ATOM 231 CG LEU A 3 8.244 -0.061 -18.308 1.00 0.00 C ATOM 232 CD1 LEU A 3 6.934 0.014 -17.490 1.00 0.00 C ATOM 233 CD2 LEU A 3 7.946 -0.246 -19.798 1.00 0.00 C ATOM 0 H LEU A 3 8.559 1.068 -15.327 1.00 0.00 H new ATOM 0 HA LEU A 3 10.954 0.585 -17.015 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.508 2.072 -18.005 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.789 1.327 -18.940 1.00 0.00 H new ATOM 0 HG LEU A 3 8.799 -0.933 -17.961 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.332 -0.873 -17.685 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.171 0.065 -16.427 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.374 0.903 -17.780 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.315 -1.124 -19.937 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.430 0.636 -20.178 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.881 -0.382 -20.342 1.00 0.00 H new ATOM 245 N GLU A 4 11.562 3.105 -17.029 1.00 0.00 N ATOM 246 CA GLU A 4 11.919 4.526 -16.942 1.00 0.00 C ATOM 247 C GLU A 4 11.459 5.246 -18.213 1.00 0.00 C ATOM 248 O GLU A 4 11.955 4.959 -19.297 1.00 0.00 O ATOM 249 CB GLU A 4 13.435 4.722 -16.716 1.00 0.00 C ATOM 250 CG GLU A 4 13.868 6.205 -16.626 1.00 0.00 C ATOM 251 CD GLU A 4 15.271 6.407 -16.043 1.00 0.00 C ATOM 252 OE1 GLU A 4 16.243 5.881 -16.628 1.00 0.00 O ATOM 253 OE2 GLU A 4 15.406 7.083 -15.000 1.00 0.00 O ATOM 0 H GLU A 4 12.225 2.539 -17.558 1.00 0.00 H new ATOM 0 HA GLU A 4 11.411 4.957 -16.079 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.724 4.213 -15.797 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.979 4.243 -17.530 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.832 6.645 -17.623 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.148 6.747 -16.012 1.00 0.00 H new ATOM 260 N LEU A 5 10.483 6.159 -18.087 1.00 0.00 N ATOM 261 CA LEU A 5 9.992 6.944 -19.228 1.00 0.00 C ATOM 262 C LEU A 5 10.603 8.347 -19.185 1.00 0.00 C ATOM 263 O LEU A 5 10.307 9.142 -18.292 1.00 0.00 O ATOM 264 CB LEU A 5 8.457 7.015 -19.243 1.00 0.00 C ATOM 265 CG LEU A 5 7.698 5.666 -19.111 1.00 0.00 C ATOM 266 CD1 LEU A 5 6.184 5.899 -19.222 1.00 0.00 C ATOM 267 CD2 LEU A 5 8.186 4.615 -20.133 1.00 0.00 C ATOM 0 H LEU A 5 10.018 6.371 -17.204 1.00 0.00 H new ATOM 0 HA LEU A 5 10.300 6.448 -20.148 1.00 0.00 H new ATOM 0 HB2 LEU A 5 8.138 7.667 -18.430 1.00 0.00 H new ATOM 0 HB3 LEU A 5 8.147 7.491 -20.173 1.00 0.00 H new ATOM 0 HG LEU A 5 7.916 5.257 -18.125 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.662 4.947 -19.128 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.860 6.571 -18.427 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.954 6.345 -20.190 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.625 3.690 -20.000 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.031 4.991 -21.144 1.00 0.00 H new ATOM 0 HD23 LEU A 5 9.247 4.421 -19.977 1.00 0.00 H new ATOM 279 N ARG A 6 11.457 8.623 -20.157 1.00 0.00 N ATOM 280 CA ARG A 6 12.192 9.869 -20.267 1.00 0.00 C ATOM 281 C ARG A 6 11.486 10.772 -21.293 1.00 0.00 C ATOM 282 O ARG A 6 11.386 10.421 -22.461 1.00 0.00 O ATOM 283 CB ARG A 6 13.655 9.558 -20.677 1.00 0.00 C ATOM 284 CG ARG A 6 14.415 8.639 -19.689 1.00 0.00 C ATOM 285 CD ARG A 6 15.851 8.321 -20.142 1.00 0.00 C ATOM 286 NE ARG A 6 16.635 7.664 -19.079 1.00 0.00 N ATOM 287 CZ ARG A 6 17.933 7.902 -18.806 1.00 0.00 C ATOM 288 NH1 ARG A 6 18.636 8.779 -19.514 1.00 0.00 N ATOM 289 NH2 ARG A 6 18.513 7.264 -17.804 1.00 0.00 N ATOM 0 H ARG A 6 11.663 7.968 -20.911 1.00 0.00 H new ATOM 0 HA ARG A 6 12.217 10.396 -19.313 1.00 0.00 H new ATOM 0 HB2 ARG A 6 13.652 9.089 -21.661 1.00 0.00 H new ATOM 0 HB3 ARG A 6 14.200 10.497 -20.773 1.00 0.00 H new ATOM 0 HG2 ARG A 6 14.447 9.116 -18.710 1.00 0.00 H new ATOM 0 HG3 ARG A 6 13.863 7.707 -19.571 1.00 0.00 H new ATOM 0 HD2 ARG A 6 15.819 7.676 -21.020 1.00 0.00 H new ATOM 0 HD3 ARG A 6 16.349 9.243 -20.442 1.00 0.00 H new ATOM 0 HE ARG A 6 16.155 6.972 -18.503 1.00 0.00 H new ATOM 0 HH11 ARG A 6 18.194 9.287 -20.280 1.00 0.00 H new ATOM 0 HH12 ARG A 6 19.617 8.945 -19.291 1.00 0.00 H new ATOM 0 HH21 ARG A 6 17.979 6.599 -17.246 1.00 0.00 H new ATOM 0 HH22 ARG A 6 19.495 7.437 -17.589 1.00 0.00 H new ATOM 303 N PHE A 7 10.996 11.928 -20.832 1.00 0.00 N ATOM 304 CA PHE A 7 10.257 12.901 -21.663 1.00 0.00 C ATOM 305 C PHE A 7 11.136 14.113 -21.916 1.00 0.00 C ATOM 306 O PHE A 7 11.821 14.585 -21.008 1.00 0.00 O ATOM 307 CB PHE A 7 8.951 13.328 -20.956 1.00 0.00 C ATOM 308 CG PHE A 7 7.972 12.189 -20.732 1.00 0.00 C ATOM 309 CD1 PHE A 7 8.090 11.370 -19.621 1.00 0.00 C ATOM 310 CD2 PHE A 7 6.954 11.922 -21.643 1.00 0.00 C ATOM 311 CE1 PHE A 7 7.224 10.324 -19.428 1.00 0.00 C ATOM 312 CE2 PHE A 7 6.086 10.866 -21.450 1.00 0.00 C ATOM 313 CZ PHE A 7 6.226 10.065 -20.339 1.00 0.00 C ATOM 0 H PHE A 7 11.099 12.223 -19.861 1.00 0.00 H new ATOM 0 HA PHE A 7 9.996 12.437 -22.614 1.00 0.00 H new ATOM 0 HB2 PHE A 7 9.200 13.775 -19.993 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.464 14.101 -21.550 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.872 11.557 -18.900 1.00 0.00 H new ATOM 0 HD2 PHE A 7 6.841 12.551 -22.514 1.00 0.00 H new ATOM 0 HE1 PHE A 7 7.326 9.698 -18.554 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.302 10.669 -22.166 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.553 9.235 -20.183 1.00 0.00 H new ATOM 323 N PHE A 8 11.126 14.613 -23.160 1.00 0.00 N ATOM 324 CA PHE A 8 11.937 15.781 -23.563 1.00 0.00 C ATOM 325 C PHE A 8 11.059 16.787 -24.326 1.00 0.00 C ATOM 326 O PHE A 8 9.968 16.438 -24.791 1.00 0.00 O ATOM 327 CB PHE A 8 13.166 15.325 -24.389 1.00 0.00 C ATOM 328 CG PHE A 8 14.011 14.283 -23.642 1.00 0.00 C ATOM 329 CD1 PHE A 8 14.826 14.655 -22.571 1.00 0.00 C ATOM 330 CD2 PHE A 8 13.939 12.930 -23.971 1.00 0.00 C ATOM 331 CE1 PHE A 8 15.536 13.709 -21.857 1.00 0.00 C ATOM 332 CE2 PHE A 8 14.658 11.989 -23.268 1.00 0.00 C ATOM 333 CZ PHE A 8 15.454 12.376 -22.206 1.00 0.00 C ATOM 0 H PHE A 8 10.560 14.225 -23.915 1.00 0.00 H new ATOM 0 HA PHE A 8 12.320 16.286 -22.676 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.829 14.906 -25.337 1.00 0.00 H new ATOM 0 HB3 PHE A 8 13.785 16.191 -24.625 1.00 0.00 H new ATOM 0 HD1 PHE A 8 14.902 15.697 -22.297 1.00 0.00 H new ATOM 0 HD2 PHE A 8 13.309 12.615 -24.790 1.00 0.00 H new ATOM 0 HE1 PHE A 8 16.155 14.012 -21.026 1.00 0.00 H new ATOM 0 HE2 PHE A 8 14.600 10.947 -23.547 1.00 0.00 H new ATOM 0 HZ PHE A 8 16.011 11.636 -21.650 1.00 0.00 H new ATOM 343 N ALA A 9 11.528 18.046 -24.379 1.00 0.00 N ATOM 344 CA ALA A 9 10.842 19.175 -25.046 1.00 0.00 C ATOM 345 C ALA A 9 9.421 19.442 -24.451 1.00 0.00 C ATOM 346 O ALA A 9 9.312 19.721 -23.250 1.00 0.00 O ATOM 347 CB ALA A 9 10.842 18.990 -26.571 1.00 0.00 C ATOM 0 H ALA A 9 12.414 18.316 -23.951 1.00 0.00 H new ATOM 0 HA ALA A 9 11.409 20.083 -24.840 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.332 19.832 -27.040 1.00 0.00 H new ATOM 0 HB2 ALA A 9 11.869 18.941 -26.932 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.324 18.065 -26.825 1.00 0.00 H new ATOM 353 N THR A 10 8.345 19.359 -25.284 1.00 0.00 N ATOM 354 CA THR A 10 6.960 19.621 -24.841 1.00 0.00 C ATOM 355 C THR A 10 6.460 18.483 -23.949 1.00 0.00 C ATOM 356 O THR A 10 5.899 18.731 -22.881 1.00 0.00 O ATOM 357 CB THR A 10 5.999 19.805 -26.054 1.00 0.00 C ATOM 358 OG1 THR A 10 6.544 20.782 -26.952 1.00 0.00 O ATOM 359 CG2 THR A 10 4.576 20.237 -25.623 1.00 0.00 C ATOM 0 H THR A 10 8.420 19.111 -26.270 1.00 0.00 H new ATOM 0 HA THR A 10 6.967 20.549 -24.269 1.00 0.00 H new ATOM 0 HB THR A 10 5.910 18.838 -26.549 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.941 20.897 -27.716 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.947 20.351 -26.506 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.148 19.478 -24.968 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.630 21.187 -25.091 1.00 0.00 H new ATOM 367 N PHE A 11 6.713 17.231 -24.386 1.00 0.00 N ATOM 368 CA PHE A 11 6.326 16.018 -23.635 1.00 0.00 C ATOM 369 C PHE A 11 6.904 16.048 -22.196 1.00 0.00 C ATOM 370 O PHE A 11 6.301 15.502 -21.261 1.00 0.00 O ATOM 371 CB PHE A 11 6.798 14.729 -24.380 1.00 0.00 C ATOM 372 CG PHE A 11 6.032 14.343 -25.660 1.00 0.00 C ATOM 373 CD1 PHE A 11 5.056 15.168 -26.227 1.00 0.00 C ATOM 374 CD2 PHE A 11 6.287 13.121 -26.290 1.00 0.00 C ATOM 375 CE1 PHE A 11 4.370 14.777 -27.366 1.00 0.00 C ATOM 376 CE2 PHE A 11 5.603 12.738 -27.426 1.00 0.00 C ATOM 377 CZ PHE A 11 4.644 13.566 -27.962 1.00 0.00 C ATOM 0 H PHE A 11 7.189 17.033 -25.266 1.00 0.00 H new ATOM 0 HA PHE A 11 5.238 16.001 -23.568 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.850 14.853 -24.638 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.737 13.893 -23.683 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.834 16.122 -25.772 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.037 12.462 -25.878 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.617 15.425 -27.788 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.820 11.789 -27.894 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.106 13.267 -28.850 1.00 0.00 H new ATOM 387 N ARG A 12 8.070 16.711 -22.046 1.00 0.00 N ATOM 388 CA ARG A 12 8.769 16.861 -20.757 1.00 0.00 C ATOM 389 C ARG A 12 7.974 17.730 -19.779 1.00 0.00 C ATOM 390 O ARG A 12 7.673 17.312 -18.660 1.00 0.00 O ATOM 391 CB ARG A 12 10.146 17.516 -20.989 1.00 0.00 C ATOM 392 CG ARG A 12 11.018 17.680 -19.733 1.00 0.00 C ATOM 393 CD ARG A 12 12.180 18.671 -19.947 1.00 0.00 C ATOM 394 NE ARG A 12 11.720 20.070 -20.051 1.00 0.00 N ATOM 395 CZ ARG A 12 12.361 21.053 -20.704 1.00 0.00 C ATOM 396 NH1 ARG A 12 13.394 20.792 -21.493 1.00 0.00 N ATOM 397 NH2 ARG A 12 11.943 22.298 -20.579 1.00 0.00 N ATOM 0 H ARG A 12 8.554 17.160 -22.823 1.00 0.00 H new ATOM 0 HA ARG A 12 8.882 15.866 -20.326 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.696 16.919 -21.717 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.992 18.499 -21.434 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.397 18.026 -18.906 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.421 16.709 -19.445 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.884 18.584 -19.119 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.720 18.401 -20.854 1.00 0.00 H new ATOM 0 HE ARG A 12 10.843 20.310 -19.589 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.715 19.831 -21.612 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.868 21.552 -21.981 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.138 22.509 -19.989 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.425 23.050 -21.072 1.00 0.00 H new ATOM 411 N GLU A 13 7.645 18.946 -20.236 1.00 0.00 N ATOM 412 CA GLU A 13 6.980 19.974 -19.411 1.00 0.00 C ATOM 413 C GLU A 13 5.494 19.653 -19.181 1.00 0.00 C ATOM 414 O GLU A 13 4.858 20.220 -18.286 1.00 0.00 O ATOM 415 CB GLU A 13 7.219 21.385 -20.021 1.00 0.00 C ATOM 416 CG GLU A 13 6.820 21.568 -21.509 1.00 0.00 C ATOM 417 CD GLU A 13 5.374 22.059 -21.725 1.00 0.00 C ATOM 418 OE1 GLU A 13 5.159 23.293 -21.729 1.00 0.00 O ATOM 419 OE2 GLU A 13 4.457 21.227 -21.886 1.00 0.00 O ATOM 0 H GLU A 13 7.832 19.249 -21.192 1.00 0.00 H new ATOM 0 HA GLU A 13 7.429 19.972 -18.418 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.666 22.113 -19.427 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.277 21.627 -19.918 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.505 22.279 -21.971 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.949 20.618 -22.027 1.00 0.00 H new ATOM 426 N VAL A 14 4.949 18.742 -20.012 1.00 0.00 N ATOM 427 CA VAL A 14 3.625 18.143 -19.795 1.00 0.00 C ATOM 428 C VAL A 14 3.647 17.284 -18.515 1.00 0.00 C ATOM 429 O VAL A 14 2.871 17.506 -17.583 1.00 0.00 O ATOM 430 CB VAL A 14 3.184 17.275 -21.038 1.00 0.00 C ATOM 431 CG1 VAL A 14 1.975 16.376 -20.714 1.00 0.00 C ATOM 432 CG2 VAL A 14 2.882 18.173 -22.257 1.00 0.00 C ATOM 0 H VAL A 14 5.418 18.403 -20.852 1.00 0.00 H new ATOM 0 HA VAL A 14 2.896 18.944 -19.675 1.00 0.00 H new ATOM 0 HB VAL A 14 4.020 16.621 -21.286 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.705 15.797 -21.597 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.233 15.698 -19.900 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.130 16.996 -20.415 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.580 17.552 -23.101 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.077 18.864 -22.009 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.776 18.738 -22.523 1.00 0.00 H new ATOM 442 N VAL A 15 4.580 16.326 -18.484 1.00 0.00 N ATOM 443 CA VAL A 15 4.760 15.395 -17.349 1.00 0.00 C ATOM 444 C VAL A 15 5.431 16.115 -16.155 1.00 0.00 C ATOM 445 O VAL A 15 5.345 15.659 -15.007 1.00 0.00 O ATOM 446 CB VAL A 15 5.589 14.140 -17.832 1.00 0.00 C ATOM 447 CG1 VAL A 15 5.873 13.119 -16.698 1.00 0.00 C ATOM 448 CG2 VAL A 15 4.850 13.453 -19.006 1.00 0.00 C ATOM 0 H VAL A 15 5.238 16.169 -19.247 1.00 0.00 H new ATOM 0 HA VAL A 15 3.788 15.046 -16.999 1.00 0.00 H new ATOM 0 HB VAL A 15 6.562 14.505 -18.162 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.446 12.282 -17.097 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.444 13.604 -15.906 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.929 12.753 -16.293 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.422 12.587 -19.339 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.863 13.130 -18.675 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.744 14.157 -19.831 1.00 0.00 H new ATOM 458 N GLY A 16 6.059 17.272 -16.446 1.00 0.00 N ATOM 459 CA GLY A 16 6.812 18.054 -15.463 1.00 0.00 C ATOM 460 C GLY A 16 8.128 17.390 -15.065 1.00 0.00 C ATOM 461 O GLY A 16 8.783 17.822 -14.116 1.00 0.00 O ATOM 0 H GLY A 16 6.054 17.687 -17.378 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.018 19.043 -15.872 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.199 18.199 -14.573 1.00 0.00 H new ATOM 465 N GLN A 17 8.523 16.347 -15.822 1.00 0.00 N ATOM 466 CA GLN A 17 9.691 15.499 -15.520 1.00 0.00 C ATOM 467 C GLN A 17 10.433 15.185 -16.821 1.00 0.00 C ATOM 468 O GLN A 17 9.796 15.004 -17.870 1.00 0.00 O ATOM 469 CB GLN A 17 9.253 14.157 -14.853 1.00 0.00 C ATOM 470 CG GLN A 17 8.510 14.259 -13.495 1.00 0.00 C ATOM 471 CD GLN A 17 9.387 14.690 -12.307 1.00 0.00 C ATOM 472 OE1 GLN A 17 10.314 15.482 -12.435 1.00 0.00 O ATOM 473 NE2 GLN A 17 9.103 14.148 -11.134 1.00 0.00 N ATOM 0 H GLN A 17 8.032 16.067 -16.671 1.00 0.00 H new ATOM 0 HA GLN A 17 10.338 16.038 -14.829 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.609 13.624 -15.553 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.142 13.544 -14.708 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.690 14.969 -13.599 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.066 13.290 -13.267 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.327 13.491 -11.050 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.660 14.387 -10.314 1.00 0.00 H new ATOM 482 N LYS A 18 11.777 15.110 -16.749 1.00 0.00 N ATOM 483 CA LYS A 18 12.617 14.694 -17.892 1.00 0.00 C ATOM 484 C LYS A 18 12.739 13.158 -17.922 1.00 0.00 C ATOM 485 O LYS A 18 13.080 12.583 -18.953 1.00 0.00 O ATOM 486 CB LYS A 18 14.033 15.350 -17.853 1.00 0.00 C ATOM 487 CG LYS A 18 14.068 16.830 -17.398 1.00 0.00 C ATOM 488 CD LYS A 18 15.387 17.560 -17.783 1.00 0.00 C ATOM 489 CE LYS A 18 16.655 16.908 -17.197 1.00 0.00 C ATOM 490 NZ LYS A 18 16.718 17.016 -15.719 1.00 0.00 N ATOM 0 H LYS A 18 12.307 15.333 -15.907 1.00 0.00 H new ATOM 0 HA LYS A 18 12.128 15.039 -18.803 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.666 14.767 -17.184 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.473 15.283 -18.848 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.225 17.359 -17.842 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.939 16.874 -16.317 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.473 17.586 -18.869 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.331 18.594 -17.443 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.684 15.857 -17.483 1.00 0.00 H new ATOM 0 HE3 LYS A 18 17.536 17.381 -17.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.588 16.563 -15.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.718 18.019 -15.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.892 16.542 -15.301 1.00 0.00 H new ATOM 504 N SER A 19 12.489 12.515 -16.758 1.00 0.00 N ATOM 505 CA SER A 19 12.474 11.045 -16.603 1.00 0.00 C ATOM 506 C SER A 19 11.558 10.667 -15.411 1.00 0.00 C ATOM 507 O SER A 19 11.478 11.415 -14.429 1.00 0.00 O ATOM 508 CB SER A 19 13.905 10.486 -16.362 1.00 0.00 C ATOM 509 OG SER A 19 14.842 10.951 -17.322 1.00 0.00 O ATOM 0 H SER A 19 12.290 13.011 -15.889 1.00 0.00 H new ATOM 0 HA SER A 19 12.092 10.605 -17.524 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.240 10.772 -15.365 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.875 9.397 -16.388 1.00 0.00 H new ATOM 0 HG SER A 19 15.725 10.573 -17.127 1.00 0.00 H new ATOM 515 N ILE A 20 10.874 9.510 -15.510 1.00 0.00 N ATOM 516 CA ILE A 20 9.997 8.951 -14.439 1.00 0.00 C ATOM 517 C ILE A 20 10.156 7.423 -14.384 1.00 0.00 C ATOM 518 O ILE A 20 10.785 6.843 -15.259 1.00 0.00 O ATOM 519 CB ILE A 20 8.464 9.262 -14.679 1.00 0.00 C ATOM 520 CG1 ILE A 20 7.976 8.635 -16.018 1.00 0.00 C ATOM 521 CG2 ILE A 20 8.173 10.771 -14.649 1.00 0.00 C ATOM 522 CD1 ILE A 20 6.528 8.921 -16.365 1.00 0.00 C ATOM 0 H ILE A 20 10.909 8.923 -16.343 1.00 0.00 H new ATOM 0 HA ILE A 20 10.308 9.424 -13.507 1.00 0.00 H new ATOM 0 HB ILE A 20 7.909 8.807 -13.859 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.608 9.003 -16.826 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.117 7.555 -15.970 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.110 10.940 -14.818 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.455 11.177 -13.677 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.748 11.268 -15.430 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.280 8.444 -17.313 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.881 8.528 -15.581 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.380 9.998 -16.451 1.00 0.00 H new ATOM 534 N TYR A 21 9.583 6.786 -13.347 1.00 0.00 N ATOM 535 CA TYR A 21 9.381 5.316 -13.312 1.00 0.00 C ATOM 536 C TYR A 21 7.874 5.004 -13.361 1.00 0.00 C ATOM 537 O TYR A 21 7.136 5.328 -12.426 1.00 0.00 O ATOM 538 CB TYR A 21 10.015 4.659 -12.045 1.00 0.00 C ATOM 539 CG TYR A 21 11.532 4.372 -12.090 1.00 0.00 C ATOM 540 CD1 TYR A 21 12.384 4.931 -13.050 1.00 0.00 C ATOM 541 CD2 TYR A 21 12.110 3.520 -11.142 1.00 0.00 C ATOM 542 CE1 TYR A 21 13.736 4.652 -13.055 1.00 0.00 C ATOM 543 CE2 TYR A 21 13.458 3.244 -11.151 1.00 0.00 C ATOM 544 CZ TYR A 21 14.265 3.809 -12.106 1.00 0.00 C ATOM 545 OH TYR A 21 15.609 3.516 -12.116 1.00 0.00 O ATOM 0 H TYR A 21 9.247 7.267 -12.512 1.00 0.00 H new ATOM 0 HA TYR A 21 9.884 4.893 -14.182 1.00 0.00 H new ATOM 0 HB2 TYR A 21 9.818 5.308 -11.192 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.498 3.718 -11.856 1.00 0.00 H new ATOM 0 HD1 TYR A 21 11.976 5.592 -13.800 1.00 0.00 H new ATOM 0 HD2 TYR A 21 11.484 3.069 -10.386 1.00 0.00 H new ATOM 0 HE1 TYR A 21 14.377 5.095 -13.803 1.00 0.00 H new ATOM 0 HE2 TYR A 21 13.880 2.584 -10.408 1.00 0.00 H new ATOM 0 HH TYR A 21 15.816 2.907 -11.377 1.00 0.00 H new ATOM 555 N TRP A 22 7.440 4.392 -14.468 1.00 0.00 N ATOM 556 CA TRP A 22 6.085 3.825 -14.637 1.00 0.00 C ATOM 557 C TRP A 22 6.103 2.325 -14.309 1.00 0.00 C ATOM 558 O TRP A 22 7.158 1.763 -13.962 1.00 0.00 O ATOM 559 CB TRP A 22 5.585 4.046 -16.101 1.00 0.00 C ATOM 560 CG TRP A 22 4.497 5.078 -16.268 1.00 0.00 C ATOM 561 CD1 TRP A 22 4.458 6.334 -15.749 1.00 0.00 C ATOM 562 CD2 TRP A 22 3.301 4.931 -17.037 1.00 0.00 C ATOM 563 NE1 TRP A 22 3.332 6.989 -16.178 1.00 0.00 N ATOM 564 CE2 TRP A 22 2.600 6.143 -16.962 1.00 0.00 C ATOM 565 CE3 TRP A 22 2.766 3.887 -17.788 1.00 0.00 C ATOM 566 CZ2 TRP A 22 1.389 6.341 -17.612 1.00 0.00 C ATOM 567 CZ3 TRP A 22 1.565 4.082 -18.427 1.00 0.00 C ATOM 568 CH2 TRP A 22 0.891 5.305 -18.339 1.00 0.00 C ATOM 0 H TRP A 22 8.028 4.271 -15.292 1.00 0.00 H new ATOM 0 HA TRP A 22 5.403 4.332 -13.954 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.436 4.338 -16.717 1.00 0.00 H new ATOM 0 HB3 TRP A 22 5.222 3.095 -16.490 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.206 6.755 -15.093 1.00 0.00 H new ATOM 0 HE1 TRP A 22 3.082 7.951 -15.949 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.285 2.943 -17.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.863 7.282 -17.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.135 3.278 -19.006 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.047 5.429 -18.861 1.00 0.00 H new ATOM 579 N ARG A 23 4.928 1.690 -14.435 1.00 0.00 N ATOM 580 CA ARG A 23 4.785 0.245 -14.271 1.00 0.00 C ATOM 581 C ARG A 23 3.518 -0.242 -15.004 1.00 0.00 C ATOM 582 O ARG A 23 2.391 0.028 -14.569 1.00 0.00 O ATOM 583 CB ARG A 23 4.769 -0.119 -12.761 1.00 0.00 C ATOM 584 CG ARG A 23 4.850 -1.625 -12.458 1.00 0.00 C ATOM 585 CD ARG A 23 4.794 -1.931 -10.952 1.00 0.00 C ATOM 586 NE ARG A 23 3.496 -1.553 -10.375 1.00 0.00 N ATOM 587 CZ ARG A 23 3.215 -1.477 -9.071 1.00 0.00 C ATOM 588 NH1 ARG A 23 4.154 -1.695 -8.154 1.00 0.00 N ATOM 589 NH2 ARG A 23 1.991 -1.164 -8.693 1.00 0.00 N ATOM 0 H ARG A 23 4.054 2.168 -14.653 1.00 0.00 H new ATOM 0 HA ARG A 23 5.638 -0.265 -14.718 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.606 0.381 -12.273 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.857 0.278 -12.316 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.029 -2.137 -12.959 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.775 -2.025 -12.872 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.971 -2.994 -10.789 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.592 -1.393 -10.440 1.00 0.00 H new ATOM 0 HE ARG A 23 2.744 -1.329 -11.027 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.105 -1.924 -8.442 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.923 -1.633 -7.163 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.272 -0.983 -9.393 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.764 -1.103 -7.701 1.00 0.00 H new ATOM 603 N VAL A 24 3.724 -0.919 -16.147 1.00 0.00 N ATOM 604 CA VAL A 24 2.664 -1.617 -16.912 1.00 0.00 C ATOM 605 C VAL A 24 2.956 -3.122 -16.872 1.00 0.00 C ATOM 606 O VAL A 24 4.044 -3.511 -16.451 1.00 0.00 O ATOM 607 CB VAL A 24 2.583 -1.130 -18.417 1.00 0.00 C ATOM 608 CG1 VAL A 24 2.181 0.361 -18.512 1.00 0.00 C ATOM 609 CG2 VAL A 24 3.909 -1.405 -19.180 1.00 0.00 C ATOM 0 H VAL A 24 4.646 -1.001 -16.576 1.00 0.00 H new ATOM 0 HA VAL A 24 1.702 -1.389 -16.453 1.00 0.00 H new ATOM 0 HB VAL A 24 1.799 -1.713 -18.901 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.136 0.660 -19.559 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.204 0.504 -18.051 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.920 0.971 -17.993 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.816 -1.058 -20.209 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.727 -0.875 -18.691 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.116 -2.475 -19.176 1.00 0.00 H new ATOM 619 N ASP A 25 2.002 -3.957 -17.318 1.00 0.00 N ATOM 620 CA ASP A 25 2.161 -5.433 -17.327 1.00 0.00 C ATOM 621 C ASP A 25 3.339 -5.859 -18.234 1.00 0.00 C ATOM 622 O ASP A 25 3.701 -5.140 -19.174 1.00 0.00 O ATOM 623 CB ASP A 25 0.833 -6.110 -17.758 1.00 0.00 C ATOM 624 CG ASP A 25 0.881 -7.653 -17.722 1.00 0.00 C ATOM 625 OD1 ASP A 25 0.740 -8.234 -16.623 1.00 0.00 O ATOM 626 OD2 ASP A 25 1.047 -8.286 -18.791 1.00 0.00 O ATOM 0 H ASP A 25 1.104 -3.638 -17.681 1.00 0.00 H new ATOM 0 HA ASP A 25 2.398 -5.766 -16.316 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.031 -5.765 -17.105 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.582 -5.787 -18.768 1.00 0.00 H new ATOM 631 N ASP A 26 3.922 -7.033 -17.927 1.00 0.00 N ATOM 632 CA ASP A 26 5.144 -7.545 -18.581 1.00 0.00 C ATOM 633 C ASP A 26 4.946 -7.733 -20.103 1.00 0.00 C ATOM 634 O ASP A 26 5.881 -7.545 -20.887 1.00 0.00 O ATOM 635 CB ASP A 26 5.566 -8.890 -17.924 1.00 0.00 C ATOM 636 CG ASP A 26 4.629 -10.072 -18.273 1.00 0.00 C ATOM 637 OD1 ASP A 26 3.505 -10.137 -17.728 1.00 0.00 O ATOM 638 OD2 ASP A 26 5.007 -10.931 -19.109 1.00 0.00 O ATOM 0 H ASP A 26 3.555 -7.660 -17.211 1.00 0.00 H new ATOM 0 HA ASP A 26 5.933 -6.806 -18.443 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.580 -9.136 -18.239 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.590 -8.764 -16.842 1.00 0.00 H new ATOM 643 N ASP A 27 3.709 -8.081 -20.496 1.00 0.00 N ATOM 644 CA ASP A 27 3.347 -8.412 -21.895 1.00 0.00 C ATOM 645 C ASP A 27 3.116 -7.139 -22.731 1.00 0.00 C ATOM 646 O ASP A 27 3.216 -7.169 -23.968 1.00 0.00 O ATOM 647 CB ASP A 27 2.082 -9.307 -21.880 1.00 0.00 C ATOM 648 CG ASP A 27 1.557 -9.704 -23.272 1.00 0.00 C ATOM 649 OD1 ASP A 27 2.138 -10.618 -23.897 1.00 0.00 O ATOM 650 OD2 ASP A 27 0.553 -9.115 -23.739 1.00 0.00 O ATOM 0 H ASP A 27 2.922 -8.143 -19.850 1.00 0.00 H new ATOM 0 HA ASP A 27 4.171 -8.951 -22.363 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.302 -10.214 -21.318 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.290 -8.784 -21.344 1.00 0.00 H new ATOM 655 N ALA A 28 2.804 -6.022 -22.041 1.00 0.00 N ATOM 656 CA ALA A 28 2.647 -4.694 -22.674 1.00 0.00 C ATOM 657 C ALA A 28 3.985 -4.217 -23.278 1.00 0.00 C ATOM 658 O ALA A 28 5.047 -4.647 -22.841 1.00 0.00 O ATOM 659 CB ALA A 28 2.108 -3.687 -21.644 1.00 0.00 C ATOM 0 H ALA A 28 2.654 -6.014 -21.032 1.00 0.00 H new ATOM 0 HA ALA A 28 1.928 -4.770 -23.490 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.994 -2.711 -22.115 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.140 -4.027 -21.275 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.807 -3.609 -20.811 1.00 0.00 H new ATOM 665 N THR A 29 3.929 -3.359 -24.307 1.00 0.00 N ATOM 666 CA THR A 29 5.127 -2.858 -25.019 1.00 0.00 C ATOM 667 C THR A 29 5.071 -1.317 -25.139 1.00 0.00 C ATOM 668 O THR A 29 4.163 -0.700 -24.586 1.00 0.00 O ATOM 669 CB THR A 29 5.255 -3.520 -26.424 1.00 0.00 C ATOM 670 OG1 THR A 29 4.076 -3.267 -27.188 1.00 0.00 O ATOM 671 CG2 THR A 29 5.493 -5.040 -26.340 1.00 0.00 C ATOM 0 H THR A 29 3.052 -2.989 -24.674 1.00 0.00 H new ATOM 0 HA THR A 29 6.011 -3.128 -24.442 1.00 0.00 H new ATOM 0 HB THR A 29 6.124 -3.076 -26.909 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.259 -2.567 -27.849 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.575 -5.452 -27.346 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.415 -5.234 -25.792 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.658 -5.511 -25.822 1.00 0.00 H new ATOM 679 N VAL A 30 6.058 -0.715 -25.864 1.00 0.00 N ATOM 680 CA VAL A 30 6.224 0.768 -25.980 1.00 0.00 C ATOM 681 C VAL A 30 4.911 1.456 -26.410 1.00 0.00 C ATOM 682 O VAL A 30 4.566 2.526 -25.903 1.00 0.00 O ATOM 683 CB VAL A 30 7.395 1.136 -26.983 1.00 0.00 C ATOM 684 CG1 VAL A 30 7.533 2.671 -27.198 1.00 0.00 C ATOM 685 CG2 VAL A 30 8.738 0.536 -26.509 1.00 0.00 C ATOM 0 H VAL A 30 6.760 -1.241 -26.384 1.00 0.00 H new ATOM 0 HA VAL A 30 6.489 1.139 -24.990 1.00 0.00 H new ATOM 0 HB VAL A 30 7.132 0.696 -27.945 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.349 2.869 -27.893 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.603 3.066 -27.608 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.744 3.155 -26.244 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.525 0.803 -27.214 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.985 0.930 -25.523 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.653 -0.549 -26.454 1.00 0.00 H new ATOM 695 N GLY A 31 4.172 0.783 -27.296 1.00 0.00 N ATOM 696 CA GLY A 31 2.905 1.264 -27.829 1.00 0.00 C ATOM 697 C GLY A 31 1.783 1.254 -26.798 1.00 0.00 C ATOM 698 O GLY A 31 0.997 2.191 -26.736 1.00 0.00 O ATOM 0 H GLY A 31 4.447 -0.127 -27.666 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.037 2.279 -28.204 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.616 0.645 -28.678 1.00 0.00 H new ATOM 702 N ASP A 32 1.721 0.168 -25.997 1.00 0.00 N ATOM 703 CA ASP A 32 0.756 0.037 -24.874 1.00 0.00 C ATOM 704 C ASP A 32 1.040 1.100 -23.800 1.00 0.00 C ATOM 705 O ASP A 32 0.118 1.592 -23.141 1.00 0.00 O ATOM 706 CB ASP A 32 0.835 -1.377 -24.230 1.00 0.00 C ATOM 707 CG ASP A 32 0.484 -2.518 -25.199 1.00 0.00 C ATOM 708 OD1 ASP A 32 1.383 -2.977 -25.938 1.00 0.00 O ATOM 709 OD2 ASP A 32 -0.686 -2.961 -25.225 1.00 0.00 O ATOM 0 H ASP A 32 2.333 -0.640 -26.106 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.246 0.184 -25.278 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.843 -1.536 -23.846 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.158 -1.416 -23.376 1.00 0.00 H new ATOM 714 N VAL A 33 2.333 1.428 -23.634 1.00 0.00 N ATOM 715 CA VAL A 33 2.801 2.453 -22.695 1.00 0.00 C ATOM 716 C VAL A 33 2.282 3.843 -23.117 1.00 0.00 C ATOM 717 O VAL A 33 1.497 4.435 -22.378 1.00 0.00 O ATOM 718 CB VAL A 33 4.375 2.422 -22.574 1.00 0.00 C ATOM 719 CG1 VAL A 33 4.939 3.615 -21.775 1.00 0.00 C ATOM 720 CG2 VAL A 33 4.849 1.088 -21.954 1.00 0.00 C ATOM 0 H VAL A 33 3.088 0.982 -24.155 1.00 0.00 H new ATOM 0 HA VAL A 33 2.398 2.237 -21.706 1.00 0.00 H new ATOM 0 HB VAL A 33 4.766 2.506 -23.588 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.025 3.539 -21.726 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.662 4.547 -22.268 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.528 3.603 -20.765 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.936 1.087 -21.880 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.417 0.975 -20.960 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.528 0.259 -22.585 1.00 0.00 H new ATOM 730 N LEU A 34 2.648 4.320 -24.331 1.00 0.00 N ATOM 731 CA LEU A 34 2.237 5.663 -24.823 1.00 0.00 C ATOM 732 C LEU A 34 0.703 5.755 -25.013 1.00 0.00 C ATOM 733 O LEU A 34 0.117 6.823 -24.828 1.00 0.00 O ATOM 734 CB LEU A 34 3.068 6.124 -26.072 1.00 0.00 C ATOM 735 CG LEU A 34 3.297 5.105 -27.240 1.00 0.00 C ATOM 736 CD1 LEU A 34 2.073 4.972 -28.154 1.00 0.00 C ATOM 737 CD2 LEU A 34 4.558 5.474 -28.058 1.00 0.00 C ATOM 0 H LEU A 34 3.226 3.798 -24.989 1.00 0.00 H new ATOM 0 HA LEU A 34 2.481 6.388 -24.047 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.576 7.002 -26.491 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.047 6.446 -25.717 1.00 0.00 H new ATOM 0 HG LEU A 34 3.455 4.130 -26.779 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.286 4.254 -28.946 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.219 4.626 -27.571 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.842 5.941 -28.596 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.694 4.751 -28.862 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.438 6.471 -28.482 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.431 5.460 -27.406 1.00 0.00 H new ATOM 749 N ARG A 35 0.070 4.620 -25.349 1.00 0.00 N ATOM 750 CA ARG A 35 -1.407 4.474 -25.317 1.00 0.00 C ATOM 751 C ARG A 35 -1.978 4.932 -23.957 1.00 0.00 C ATOM 752 O ARG A 35 -2.940 5.703 -23.892 1.00 0.00 O ATOM 753 CB ARG A 35 -1.805 2.986 -25.639 1.00 0.00 C ATOM 754 CG ARG A 35 -3.188 2.486 -25.133 1.00 0.00 C ATOM 755 CD ARG A 35 -4.366 3.374 -25.581 1.00 0.00 C ATOM 756 NE ARG A 35 -5.641 2.929 -25.001 1.00 0.00 N ATOM 757 CZ ARG A 35 -6.810 3.577 -25.098 1.00 0.00 C ATOM 758 NH1 ARG A 35 -6.931 4.669 -25.843 1.00 0.00 N ATOM 759 NH2 ARG A 35 -7.865 3.108 -24.455 1.00 0.00 N ATOM 0 H ARG A 35 0.559 3.777 -25.650 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.842 5.118 -26.082 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.776 2.857 -26.721 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.038 2.335 -25.220 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.352 1.470 -25.493 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.172 2.440 -24.044 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.174 4.406 -25.287 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.438 3.360 -26.669 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.636 2.052 -24.480 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.125 5.029 -26.355 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.830 5.148 -25.904 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.784 2.261 -23.892 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.760 3.593 -24.521 1.00 0.00 H new ATOM 773 N SER A 36 -1.382 4.451 -22.888 1.00 0.00 N ATOM 774 CA SER A 36 -1.803 4.767 -21.531 1.00 0.00 C ATOM 775 C SER A 36 -1.385 6.207 -21.128 1.00 0.00 C ATOM 776 O SER A 36 -2.062 6.841 -20.327 1.00 0.00 O ATOM 777 CB SER A 36 -1.291 3.698 -20.574 1.00 0.00 C ATOM 778 OG SER A 36 -1.754 2.406 -20.941 1.00 0.00 O ATOM 0 H SER A 36 -0.581 3.821 -22.932 1.00 0.00 H new ATOM 0 HA SER A 36 -2.892 4.757 -21.477 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.201 3.707 -20.567 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.618 3.929 -19.560 1.00 0.00 H new ATOM 0 HG SER A 36 -1.197 2.053 -21.666 1.00 0.00 H new ATOM 784 N LEU A 37 -0.232 6.694 -21.652 1.00 0.00 N ATOM 785 CA LEU A 37 0.257 8.078 -21.388 1.00 0.00 C ATOM 786 C LEU A 37 -0.742 9.166 -21.854 1.00 0.00 C ATOM 787 O LEU A 37 -0.803 10.227 -21.238 1.00 0.00 O ATOM 788 CB LEU A 37 1.664 8.335 -22.029 1.00 0.00 C ATOM 789 CG LEU A 37 2.916 8.017 -21.154 1.00 0.00 C ATOM 790 CD1 LEU A 37 2.923 8.834 -19.846 1.00 0.00 C ATOM 791 CD2 LEU A 37 3.036 6.527 -20.876 1.00 0.00 C ATOM 0 H LEU A 37 0.380 6.151 -22.261 1.00 0.00 H new ATOM 0 HA LEU A 37 0.349 8.153 -20.304 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.732 7.744 -22.943 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.715 9.383 -22.323 1.00 0.00 H new ATOM 0 HG LEU A 37 3.793 8.318 -21.727 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.811 8.584 -19.265 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.932 9.898 -20.082 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.031 8.599 -19.265 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.919 6.341 -20.264 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.148 6.183 -20.346 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.128 5.987 -21.819 1.00 0.00 H new ATOM 803 N GLU A 38 -1.481 8.937 -22.960 1.00 0.00 N ATOM 804 CA GLU A 38 -2.554 9.881 -23.382 1.00 0.00 C ATOM 805 C GLU A 38 -3.813 9.711 -22.517 1.00 0.00 C ATOM 806 O GLU A 38 -4.576 10.667 -22.326 1.00 0.00 O ATOM 807 CB GLU A 38 -2.919 9.750 -24.886 1.00 0.00 C ATOM 808 CG GLU A 38 -3.269 8.332 -25.380 1.00 0.00 C ATOM 809 CD GLU A 38 -4.004 8.308 -26.734 1.00 0.00 C ATOM 810 OE1 GLU A 38 -3.357 8.516 -27.783 1.00 0.00 O ATOM 811 OE2 GLU A 38 -5.239 8.096 -26.752 1.00 0.00 O ATOM 0 H GLU A 38 -1.364 8.127 -23.569 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.150 10.883 -23.234 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.767 10.403 -25.091 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.081 10.121 -25.476 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.351 7.750 -25.465 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.890 7.840 -24.632 1.00 0.00 H new ATOM 818 N ALA A 39 -4.019 8.492 -22.002 1.00 0.00 N ATOM 819 CA ALA A 39 -5.146 8.178 -21.111 1.00 0.00 C ATOM 820 C ALA A 39 -4.981 8.872 -19.737 1.00 0.00 C ATOM 821 O ALA A 39 -5.970 9.263 -19.105 1.00 0.00 O ATOM 822 CB ALA A 39 -5.272 6.656 -20.954 1.00 0.00 C ATOM 0 H ALA A 39 -3.410 7.696 -22.190 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.064 8.561 -21.557 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.108 6.426 -20.293 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.446 6.203 -21.930 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.352 6.257 -20.527 1.00 0.00 H new ATOM 828 N GLU A 40 -3.717 9.024 -19.301 1.00 0.00 N ATOM 829 CA GLU A 40 -3.365 9.729 -18.057 1.00 0.00 C ATOM 830 C GLU A 40 -3.280 11.243 -18.303 1.00 0.00 C ATOM 831 O GLU A 40 -3.980 12.034 -17.664 1.00 0.00 O ATOM 832 CB GLU A 40 -1.987 9.249 -17.534 1.00 0.00 C ATOM 833 CG GLU A 40 -1.888 7.764 -17.183 1.00 0.00 C ATOM 834 CD GLU A 40 -2.711 7.343 -15.949 1.00 0.00 C ATOM 835 OE1 GLU A 40 -2.200 7.444 -14.813 1.00 0.00 O ATOM 836 OE2 GLU A 40 -3.863 6.903 -16.110 1.00 0.00 O ATOM 0 H GLU A 40 -2.908 8.659 -19.805 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.141 9.512 -17.323 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.234 9.475 -18.289 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.734 9.830 -16.647 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.217 7.178 -18.041 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.842 7.514 -17.009 1.00 0.00 H new ATOM 843 N TYR A 41 -2.398 11.621 -19.245 1.00 0.00 N ATOM 844 CA TYR A 41 -1.982 13.008 -19.466 1.00 0.00 C ATOM 845 C TYR A 41 -2.790 13.668 -20.597 1.00 0.00 C ATOM 846 O TYR A 41 -2.866 13.141 -21.714 1.00 0.00 O ATOM 847 CB TYR A 41 -0.465 13.086 -19.776 1.00 0.00 C ATOM 848 CG TYR A 41 0.434 12.755 -18.577 1.00 0.00 C ATOM 849 CD1 TYR A 41 0.854 11.448 -18.317 1.00 0.00 C ATOM 850 CD2 TYR A 41 0.858 13.759 -17.703 1.00 0.00 C ATOM 851 CE1 TYR A 41 1.662 11.160 -17.233 1.00 0.00 C ATOM 852 CE2 TYR A 41 1.664 13.472 -16.622 1.00 0.00 C ATOM 853 CZ TYR A 41 2.062 12.176 -16.389 1.00 0.00 C ATOM 854 OH TYR A 41 2.867 11.901 -15.308 1.00 0.00 O ATOM 0 H TYR A 41 -1.951 10.959 -19.880 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.181 13.557 -18.546 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.235 12.399 -20.590 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.228 14.090 -20.129 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.542 10.649 -18.974 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.549 14.779 -17.877 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.979 10.144 -17.047 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.982 14.263 -15.959 1.00 0.00 H new ATOM 0 HH TYR A 41 3.055 12.730 -14.820 1.00 0.00 H new ATOM 864 N ASP A 42 -3.368 14.838 -20.279 1.00 0.00 N ATOM 865 CA ASP A 42 -4.092 15.693 -21.241 1.00 0.00 C ATOM 866 C ASP A 42 -3.140 16.198 -22.346 1.00 0.00 C ATOM 867 O ASP A 42 -3.457 16.133 -23.533 1.00 0.00 O ATOM 868 CB ASP A 42 -4.722 16.899 -20.487 1.00 0.00 C ATOM 869 CG ASP A 42 -5.447 17.892 -21.417 1.00 0.00 C ATOM 870 OD1 ASP A 42 -6.608 17.632 -21.788 1.00 0.00 O ATOM 871 OD2 ASP A 42 -4.849 18.930 -21.791 1.00 0.00 O ATOM 0 H ASP A 42 -3.347 15.224 -19.335 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.880 15.106 -21.713 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.428 16.525 -19.745 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.939 17.427 -19.944 1.00 0.00 H new ATOM 876 N GLY A 43 -1.954 16.666 -21.917 1.00 0.00 N ATOM 877 CA GLY A 43 -0.957 17.257 -22.816 1.00 0.00 C ATOM 878 C GLY A 43 -0.138 16.232 -23.595 1.00 0.00 C ATOM 879 O GLY A 43 0.834 16.603 -24.254 1.00 0.00 O ATOM 0 H GLY A 43 -1.664 16.643 -20.939 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.464 17.914 -23.522 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.280 17.880 -22.231 1.00 0.00 H new ATOM 883 N LEU A 44 -0.501 14.937 -23.497 1.00 0.00 N ATOM 884 CA LEU A 44 0.094 13.865 -24.318 1.00 0.00 C ATOM 885 C LEU A 44 -0.955 13.226 -25.241 1.00 0.00 C ATOM 886 O LEU A 44 -0.630 12.300 -25.959 1.00 0.00 O ATOM 887 CB LEU A 44 0.759 12.781 -23.428 1.00 0.00 C ATOM 888 CG LEU A 44 2.013 13.229 -22.616 1.00 0.00 C ATOM 889 CD1 LEU A 44 2.608 12.070 -21.799 1.00 0.00 C ATOM 890 CD2 LEU A 44 3.080 13.867 -23.527 1.00 0.00 C ATOM 0 H LEU A 44 -1.214 14.606 -22.847 1.00 0.00 H new ATOM 0 HA LEU A 44 0.866 14.320 -24.939 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.012 12.408 -22.727 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.045 11.943 -24.064 1.00 0.00 H new ATOM 0 HG LEU A 44 1.679 13.990 -21.911 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.480 12.423 -21.248 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.861 11.698 -21.097 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.906 11.266 -22.472 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.939 14.167 -22.927 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.397 13.143 -24.278 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.660 14.743 -24.022 1.00 0.00 H new ATOM 902 N ALA A 45 -2.182 13.769 -25.264 1.00 0.00 N ATOM 903 CA ALA A 45 -3.307 13.162 -26.007 1.00 0.00 C ATOM 904 C ALA A 45 -3.121 13.269 -27.543 1.00 0.00 C ATOM 905 O ALA A 45 -2.967 14.373 -28.074 1.00 0.00 O ATOM 906 CB ALA A 45 -4.620 13.833 -25.569 1.00 0.00 C ATOM 0 H ALA A 45 -2.425 14.631 -24.776 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.339 12.098 -25.771 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.454 13.390 -26.113 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.765 13.685 -24.499 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.572 14.901 -25.784 1.00 0.00 H new ATOM 912 N GLY A 46 -3.096 12.097 -28.231 1.00 0.00 N ATOM 913 CA GLY A 46 -3.139 12.027 -29.710 1.00 0.00 C ATOM 914 C GLY A 46 -1.831 12.376 -30.428 1.00 0.00 C ATOM 915 O GLY A 46 -1.721 12.186 -31.637 1.00 0.00 O ATOM 0 H GLY A 46 -3.046 11.184 -27.778 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.433 11.018 -30.000 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.919 12.701 -30.065 1.00 0.00 H new ATOM 919 N ARG A 47 -0.834 12.867 -29.681 1.00 0.00 N ATOM 920 CA ARG A 47 0.470 13.344 -30.226 1.00 0.00 C ATOM 921 C ARG A 47 1.573 12.280 -30.058 1.00 0.00 C ATOM 922 O ARG A 47 2.731 12.510 -30.426 1.00 0.00 O ATOM 923 CB ARG A 47 0.871 14.695 -29.547 1.00 0.00 C ATOM 924 CG ARG A 47 0.504 14.792 -28.052 1.00 0.00 C ATOM 925 CD ARG A 47 0.985 16.072 -27.358 1.00 0.00 C ATOM 926 NE ARG A 47 0.661 17.314 -28.089 1.00 0.00 N ATOM 927 CZ ARG A 47 0.628 18.545 -27.542 1.00 0.00 C ATOM 928 NH1 ARG A 47 0.796 18.719 -26.234 1.00 0.00 N ATOM 929 NH2 ARG A 47 0.418 19.600 -28.308 1.00 0.00 N ATOM 0 H ARG A 47 -0.898 12.951 -28.666 1.00 0.00 H new ATOM 0 HA ARG A 47 0.355 13.516 -31.296 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.947 14.836 -29.654 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.388 15.513 -30.081 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.579 14.726 -27.952 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.925 13.932 -27.531 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.541 16.122 -26.364 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.065 16.015 -27.222 1.00 0.00 H new ATOM 0 HE ARG A 47 0.446 17.234 -29.083 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.953 17.913 -25.628 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.768 19.658 -25.837 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.281 19.482 -29.312 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.393 20.533 -27.896 1.00 0.00 H new ATOM 943 N LEU A 48 1.184 11.103 -29.549 1.00 0.00 N ATOM 944 CA LEU A 48 2.102 9.976 -29.256 1.00 0.00 C ATOM 945 C LEU A 48 1.589 8.669 -29.896 1.00 0.00 C ATOM 946 O LEU A 48 2.287 7.656 -29.880 1.00 0.00 O ATOM 947 CB LEU A 48 2.299 9.839 -27.712 1.00 0.00 C ATOM 948 CG LEU A 48 1.141 9.244 -26.828 1.00 0.00 C ATOM 949 CD1 LEU A 48 1.357 9.599 -25.340 1.00 0.00 C ATOM 950 CD2 LEU A 48 -0.271 9.634 -27.294 1.00 0.00 C ATOM 0 H LEU A 48 0.211 10.897 -29.323 1.00 0.00 H new ATOM 0 HA LEU A 48 3.076 10.182 -29.699 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.182 9.221 -27.550 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.528 10.831 -27.324 1.00 0.00 H new ATOM 0 HG LEU A 48 1.195 8.162 -26.951 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.546 9.179 -24.744 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.307 9.186 -25.002 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.370 10.683 -25.223 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.010 9.183 -26.632 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.376 10.719 -27.270 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.430 9.277 -28.311 1.00 0.00 H new ATOM 962 N ILE A 49 0.344 8.715 -30.432 1.00 0.00 N ATOM 963 CA ILE A 49 -0.241 7.661 -31.287 1.00 0.00 C ATOM 964 C ILE A 49 -0.702 8.317 -32.601 1.00 0.00 C ATOM 965 O ILE A 49 -1.344 9.380 -32.573 1.00 0.00 O ATOM 966 CB ILE A 49 -1.476 6.925 -30.621 1.00 0.00 C ATOM 967 CG1 ILE A 49 -1.020 6.065 -29.408 1.00 0.00 C ATOM 968 CG2 ILE A 49 -2.258 6.044 -31.650 1.00 0.00 C ATOM 969 CD1 ILE A 49 -2.135 5.296 -28.721 1.00 0.00 C ATOM 0 H ILE A 49 -0.289 9.500 -30.278 1.00 0.00 H new ATOM 0 HA ILE A 49 0.526 6.904 -31.450 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.156 7.699 -30.267 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.263 5.357 -29.746 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.542 6.717 -28.677 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.096 5.558 -31.150 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.632 6.673 -32.457 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.591 5.286 -32.060 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.724 4.726 -27.888 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.883 5.995 -28.348 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.599 4.614 -29.434 1.00 0.00 H new ATOM 981 N GLU A 50 -0.347 7.702 -33.743 1.00 0.00 N ATOM 982 CA GLU A 50 -0.929 8.046 -35.052 1.00 0.00 C ATOM 983 C GLU A 50 -1.237 6.762 -35.836 1.00 0.00 C ATOM 984 O GLU A 50 -0.331 5.998 -36.124 1.00 0.00 O ATOM 985 CB GLU A 50 0.022 8.934 -35.890 1.00 0.00 C ATOM 986 CG GLU A 50 -0.599 9.491 -37.192 1.00 0.00 C ATOM 987 CD GLU A 50 -1.739 10.494 -36.939 1.00 0.00 C ATOM 988 OE1 GLU A 50 -2.896 10.070 -36.733 1.00 0.00 O ATOM 989 OE2 GLU A 50 -1.473 11.719 -36.918 1.00 0.00 O ATOM 0 H GLU A 50 0.348 6.956 -33.785 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.845 8.607 -34.867 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.354 9.770 -35.274 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.909 8.354 -36.145 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.180 9.977 -37.780 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.979 8.662 -37.789 1.00 0.00 H new ATOM 996 N ASP A 51 -2.530 6.537 -36.142 1.00 0.00 N ATOM 997 CA ASP A 51 -3.007 5.446 -37.032 1.00 0.00 C ATOM 998 C ASP A 51 -2.521 4.038 -36.556 1.00 0.00 C ATOM 999 O ASP A 51 -2.344 3.109 -37.346 1.00 0.00 O ATOM 1000 CB ASP A 51 -2.572 5.770 -38.503 1.00 0.00 C ATOM 1001 CG ASP A 51 -3.224 4.873 -39.576 1.00 0.00 C ATOM 1002 OD1 ASP A 51 -4.450 4.993 -39.790 1.00 0.00 O ATOM 1003 OD2 ASP A 51 -2.522 4.033 -40.188 1.00 0.00 O ATOM 0 H ASP A 51 -3.288 7.113 -35.775 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.095 5.398 -36.990 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.816 6.810 -38.720 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.489 5.675 -38.577 1.00 0.00 H new ATOM 1008 N GLY A 52 -2.359 3.895 -35.234 1.00 0.00 N ATOM 1009 CA GLY A 52 -1.957 2.628 -34.613 1.00 0.00 C ATOM 1010 C GLY A 52 -0.457 2.463 -34.424 1.00 0.00 C ATOM 1011 O GLY A 52 -0.040 1.567 -33.697 1.00 0.00 O ATOM 0 H GLY A 52 -2.503 4.653 -34.567 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.444 2.544 -33.641 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.325 1.805 -35.226 1.00 0.00 H new ATOM 1015 N GLU A 53 0.355 3.299 -35.089 1.00 0.00 N ATOM 1016 CA GLU A 53 1.817 3.365 -34.838 1.00 0.00 C ATOM 1017 C GLU A 53 2.106 4.535 -33.874 1.00 0.00 C ATOM 1018 O GLU A 53 1.163 5.146 -33.341 1.00 0.00 O ATOM 1019 CB GLU A 53 2.631 3.526 -36.145 1.00 0.00 C ATOM 1020 CG GLU A 53 2.325 4.813 -36.933 1.00 0.00 C ATOM 1021 CD GLU A 53 3.507 5.309 -37.769 1.00 0.00 C ATOM 1022 OE1 GLU A 53 4.365 6.038 -37.220 1.00 0.00 O ATOM 1023 OE2 GLU A 53 3.602 4.947 -38.964 1.00 0.00 O ATOM 0 H GLU A 53 0.029 3.944 -35.809 1.00 0.00 H new ATOM 0 HA GLU A 53 2.130 2.422 -34.390 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.693 3.508 -35.901 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.437 2.667 -36.787 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.474 4.634 -37.590 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.029 5.596 -36.235 1.00 0.00 H new ATOM 1030 N VAL A 54 3.408 4.817 -33.636 1.00 0.00 N ATOM 1031 CA VAL A 54 3.817 5.880 -32.704 1.00 0.00 C ATOM 1032 C VAL A 54 3.395 7.286 -33.212 1.00 0.00 C ATOM 1033 O VAL A 54 2.576 7.902 -32.565 1.00 0.00 O ATOM 1034 CB VAL A 54 5.378 5.822 -32.417 1.00 0.00 C ATOM 1035 CG1 VAL A 54 5.739 4.593 -31.546 1.00 0.00 C ATOM 1036 CG2 VAL A 54 6.210 5.816 -33.726 1.00 0.00 C ATOM 0 H VAL A 54 4.185 4.324 -34.076 1.00 0.00 H new ATOM 0 HA VAL A 54 3.294 5.704 -31.764 1.00 0.00 H new ATOM 0 HB VAL A 54 5.632 6.728 -31.866 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.814 4.578 -31.365 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.212 4.654 -30.594 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.446 3.680 -32.065 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.272 5.776 -33.482 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.942 4.945 -34.324 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.002 6.723 -34.293 1.00 0.00 H new ATOM 1046 N LYS A 55 3.824 7.690 -34.439 1.00 0.00 N ATOM 1047 CA LYS A 55 3.593 9.049 -35.028 1.00 0.00 C ATOM 1048 C LYS A 55 4.754 9.389 -35.992 1.00 0.00 C ATOM 1049 O LYS A 55 5.917 9.124 -35.677 1.00 0.00 O ATOM 1050 CB LYS A 55 3.458 10.191 -33.948 1.00 0.00 C ATOM 1051 CG LYS A 55 3.346 11.664 -34.440 1.00 0.00 C ATOM 1052 CD LYS A 55 1.918 12.054 -34.898 1.00 0.00 C ATOM 1053 CE LYS A 55 0.876 11.918 -33.771 1.00 0.00 C ATOM 1054 NZ LYS A 55 -0.495 12.275 -34.221 1.00 0.00 N ATOM 0 H LYS A 55 4.349 7.075 -35.060 1.00 0.00 H new ATOM 0 HA LYS A 55 2.641 9.006 -35.556 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.577 9.975 -33.344 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.322 10.126 -33.286 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.657 12.332 -33.637 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.039 11.816 -35.267 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.925 13.082 -35.259 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.625 11.423 -35.737 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.878 10.893 -33.399 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.161 12.560 -32.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.194 11.832 -33.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.611 13.308 -34.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.641 11.935 -35.193 1.00 0.00 H new ATOM 1068 N PRO A 56 4.446 9.950 -37.201 1.00 0.00 N ATOM 1069 CA PRO A 56 5.462 10.567 -38.081 1.00 0.00 C ATOM 1070 C PRO A 56 6.076 11.831 -37.420 1.00 0.00 C ATOM 1071 O PRO A 56 5.357 12.627 -36.801 1.00 0.00 O ATOM 1072 CB PRO A 56 4.648 10.930 -39.352 1.00 0.00 C ATOM 1073 CG PRO A 56 3.242 11.056 -38.849 1.00 0.00 C ATOM 1074 CD PRO A 56 3.103 9.980 -37.821 1.00 0.00 C ATOM 0 HA PRO A 56 6.308 9.913 -38.290 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.998 11.860 -39.800 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.732 10.157 -40.116 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.064 12.041 -38.417 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.521 10.927 -39.656 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.326 10.213 -37.093 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.842 9.022 -38.270 1.00 0.00 H new ATOM 1082 N HIS A 57 7.413 11.967 -37.540 1.00 0.00 N ATOM 1083 CA HIS A 57 8.207 13.137 -37.065 1.00 0.00 C ATOM 1084 C HIS A 57 8.460 13.135 -35.545 1.00 0.00 C ATOM 1085 O HIS A 57 9.276 13.937 -35.066 1.00 0.00 O ATOM 1086 CB HIS A 57 7.613 14.506 -37.517 1.00 0.00 C ATOM 1087 CG HIS A 57 7.606 14.730 -39.015 1.00 0.00 C ATOM 1088 ND1 HIS A 57 8.504 15.556 -39.658 1.00 0.00 N ATOM 1089 CD2 HIS A 57 6.788 14.249 -39.987 1.00 0.00 C ATOM 1090 CE1 HIS A 57 8.236 15.576 -40.949 1.00 0.00 C ATOM 1091 NE2 HIS A 57 7.204 14.791 -41.175 1.00 0.00 N ATOM 0 H HIS A 57 7.992 11.252 -37.980 1.00 0.00 H new ATOM 0 HA HIS A 57 9.174 13.018 -37.553 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.591 14.583 -37.147 1.00 0.00 H new ATOM 0 HB3 HIS A 57 8.183 15.307 -37.046 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.963 13.566 -39.849 1.00 0.00 H new ATOM 0 HE1 HIS A 57 8.773 16.142 -41.696 1.00 0.00 H new ATOM 0 HE2 HIS A 57 6.782 14.615 -42.087 1.00 0.00 H new ATOM 1100 N VAL A 58 7.760 12.261 -34.790 1.00 0.00 N ATOM 1101 CA VAL A 58 8.016 12.085 -33.348 1.00 0.00 C ATOM 1102 C VAL A 58 9.336 11.313 -33.205 1.00 0.00 C ATOM 1103 O VAL A 58 9.620 10.412 -34.016 1.00 0.00 O ATOM 1104 CB VAL A 58 6.813 11.351 -32.596 1.00 0.00 C ATOM 1105 CG1 VAL A 58 6.884 9.810 -32.687 1.00 0.00 C ATOM 1106 CG2 VAL A 58 6.698 11.798 -31.121 1.00 0.00 C ATOM 0 H VAL A 58 7.015 11.668 -35.156 1.00 0.00 H new ATOM 0 HA VAL A 58 8.094 13.061 -32.869 1.00 0.00 H new ATOM 0 HB VAL A 58 5.911 11.660 -33.124 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.038 9.375 -32.156 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.851 9.505 -33.733 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.813 9.461 -32.237 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.868 11.275 -30.646 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.624 11.562 -30.596 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.521 12.873 -31.079 1.00 0.00 H new ATOM 1116 N ASN A 59 10.181 11.699 -32.250 1.00 0.00 N ATOM 1117 CA ASN A 59 11.426 10.977 -31.978 1.00 0.00 C ATOM 1118 C ASN A 59 11.220 10.177 -30.700 1.00 0.00 C ATOM 1119 O ASN A 59 11.237 10.725 -29.607 1.00 0.00 O ATOM 1120 CB ASN A 59 12.614 11.964 -31.848 1.00 0.00 C ATOM 1121 CG ASN A 59 12.845 12.814 -33.098 1.00 0.00 C ATOM 1122 OD1 ASN A 59 12.251 13.882 -33.265 1.00 0.00 O ATOM 1123 ND2 ASN A 59 13.726 12.361 -33.978 1.00 0.00 N ATOM 0 H ASN A 59 10.027 12.509 -31.650 1.00 0.00 H new ATOM 0 HA ASN A 59 11.670 10.304 -32.800 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.436 12.623 -30.999 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.521 11.401 -31.630 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.928 12.899 -34.820 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.202 11.474 -33.813 1.00 0.00 H new ATOM 1130 N VAL A 60 11.017 8.873 -30.850 1.00 0.00 N ATOM 1131 CA VAL A 60 10.760 7.956 -29.734 1.00 0.00 C ATOM 1132 C VAL A 60 11.811 6.851 -29.752 1.00 0.00 C ATOM 1133 O VAL A 60 12.140 6.328 -30.816 1.00 0.00 O ATOM 1134 CB VAL A 60 9.303 7.369 -29.773 1.00 0.00 C ATOM 1135 CG1 VAL A 60 8.270 8.423 -29.298 1.00 0.00 C ATOM 1136 CG2 VAL A 60 8.935 6.852 -31.183 1.00 0.00 C ATOM 0 H VAL A 60 11.025 8.412 -31.760 1.00 0.00 H new ATOM 0 HA VAL A 60 10.834 8.511 -28.799 1.00 0.00 H new ATOM 0 HB VAL A 60 9.276 6.521 -29.088 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.269 7.993 -29.334 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.500 8.723 -28.276 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.314 9.295 -29.950 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.921 6.454 -31.171 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.994 7.672 -31.898 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.630 6.065 -31.475 1.00 0.00 H new ATOM 1146 N LEU A 61 12.352 6.540 -28.572 1.00 0.00 N ATOM 1147 CA LEU A 61 13.563 5.723 -28.404 1.00 0.00 C ATOM 1148 C LEU A 61 13.296 4.551 -27.456 1.00 0.00 C ATOM 1149 O LEU A 61 12.413 4.606 -26.593 1.00 0.00 O ATOM 1150 CB LEU A 61 14.756 6.562 -27.835 1.00 0.00 C ATOM 1151 CG LEU A 61 15.270 7.782 -28.678 1.00 0.00 C ATOM 1152 CD1 LEU A 61 14.301 8.964 -28.654 1.00 0.00 C ATOM 1153 CD2 LEU A 61 16.679 8.228 -28.233 1.00 0.00 C ATOM 0 H LEU A 61 11.955 6.854 -27.687 1.00 0.00 H new ATOM 0 HA LEU A 61 13.832 5.352 -29.393 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.463 6.935 -26.853 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.596 5.885 -27.681 1.00 0.00 H new ATOM 0 HG LEU A 61 15.329 7.433 -29.709 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.707 9.779 -29.253 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.340 8.655 -29.065 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.164 9.302 -27.627 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.001 9.075 -28.839 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.653 8.522 -27.184 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.379 7.403 -28.361 1.00 0.00 H new ATOM 1165 N LYS A 62 14.104 3.504 -27.621 1.00 0.00 N ATOM 1166 CA LYS A 62 14.181 2.370 -26.713 1.00 0.00 C ATOM 1167 C LYS A 62 15.636 2.234 -26.248 1.00 0.00 C ATOM 1168 O LYS A 62 16.496 1.801 -27.025 1.00 0.00 O ATOM 1169 CB LYS A 62 13.708 1.081 -27.434 1.00 0.00 C ATOM 1170 CG LYS A 62 13.908 -0.214 -26.643 1.00 0.00 C ATOM 1171 CD LYS A 62 13.098 -0.248 -25.329 1.00 0.00 C ATOM 1172 CE LYS A 62 13.739 -1.166 -24.291 1.00 0.00 C ATOM 1173 NZ LYS A 62 13.956 -2.550 -24.783 1.00 0.00 N ATOM 0 H LYS A 62 14.740 3.423 -28.415 1.00 0.00 H new ATOM 0 HA LYS A 62 13.533 2.524 -25.851 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.649 1.184 -27.672 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.241 0.996 -28.381 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.618 -1.061 -27.264 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.967 -0.334 -26.414 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.021 0.761 -24.924 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.083 -0.587 -25.536 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.696 -0.743 -23.984 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.106 -1.198 -23.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.574 -3.228 -24.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.472 -2.674 -25.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.975 -2.719 -24.906 1.00 0.00 H new ATOM 1187 N ASN A 63 15.889 2.652 -24.998 1.00 0.00 N ATOM 1188 CA ASN A 63 17.185 2.494 -24.292 1.00 0.00 C ATOM 1189 C ASN A 63 18.372 3.050 -25.135 1.00 0.00 C ATOM 1190 O ASN A 63 19.470 2.489 -25.145 1.00 0.00 O ATOM 1191 CB ASN A 63 17.382 0.996 -23.881 1.00 0.00 C ATOM 1192 CG ASN A 63 18.273 0.822 -22.645 1.00 0.00 C ATOM 1193 OD1 ASN A 63 17.784 0.817 -21.512 1.00 0.00 O ATOM 1194 ND2 ASN A 63 19.576 0.673 -22.850 1.00 0.00 N ATOM 0 H ASN A 63 15.185 3.122 -24.430 1.00 0.00 H new ATOM 0 HA ASN A 63 17.168 3.091 -23.380 1.00 0.00 H new ATOM 0 HB2 ASN A 63 16.408 0.548 -23.685 1.00 0.00 H new ATOM 0 HB3 ASN A 63 17.821 0.451 -24.717 1.00 0.00 H new ATOM 0 HD21 ASN A 63 20.206 0.549 -22.057 1.00 0.00 H new ATOM 0 HD22 ASN A 63 19.947 0.682 -23.800 1.00 0.00 H new ATOM 1201 N GLY A 64 18.109 4.171 -25.833 1.00 0.00 N ATOM 1202 CA GLY A 64 19.110 4.854 -26.663 1.00 0.00 C ATOM 1203 C GLY A 64 19.138 4.379 -28.113 1.00 0.00 C ATOM 1204 O GLY A 64 20.136 4.596 -28.809 1.00 0.00 O ATOM 0 H GLY A 64 17.196 4.626 -25.835 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.912 5.926 -26.646 1.00 0.00 H new ATOM 0 HA3 GLY A 64 20.096 4.705 -26.223 1.00 0.00 H new ATOM 1208 N ARG A 65 18.049 3.737 -28.580 1.00 0.00 N ATOM 1209 CA ARG A 65 17.902 3.328 -29.995 1.00 0.00 C ATOM 1210 C ARG A 65 16.504 3.734 -30.487 1.00 0.00 C ATOM 1211 O ARG A 65 15.505 3.103 -30.123 1.00 0.00 O ATOM 1212 CB ARG A 65 18.127 1.795 -30.176 1.00 0.00 C ATOM 1213 CG ARG A 65 18.417 1.359 -31.637 1.00 0.00 C ATOM 1214 CD ARG A 65 19.809 1.831 -32.112 1.00 0.00 C ATOM 1215 NE ARG A 65 20.140 1.366 -33.474 1.00 0.00 N ATOM 1216 CZ ARG A 65 21.114 1.876 -34.254 1.00 0.00 C ATOM 1217 NH1 ARG A 65 21.824 2.930 -33.862 1.00 0.00 N ATOM 1218 NH2 ARG A 65 21.367 1.328 -35.431 1.00 0.00 N ATOM 0 H ARG A 65 17.252 3.488 -27.995 1.00 0.00 H new ATOM 0 HA ARG A 65 18.663 3.833 -30.589 1.00 0.00 H new ATOM 0 HB2 ARG A 65 18.960 1.485 -29.545 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.243 1.266 -29.820 1.00 0.00 H new ATOM 0 HG2 ARG A 65 18.357 0.273 -31.711 1.00 0.00 H new ATOM 0 HG3 ARG A 65 17.651 1.766 -32.297 1.00 0.00 H new ATOM 0 HD2 ARG A 65 19.846 2.920 -32.086 1.00 0.00 H new ATOM 0 HD3 ARG A 65 20.566 1.470 -31.416 1.00 0.00 H new ATOM 0 HE ARG A 65 19.588 0.598 -33.855 1.00 0.00 H new ATOM 0 HH11 ARG A 65 21.635 3.365 -32.959 1.00 0.00 H new ATOM 0 HH12 ARG A 65 22.558 3.303 -34.464 1.00 0.00 H new ATOM 0 HH21 ARG A 65 20.826 0.523 -35.745 1.00 0.00 H new ATOM 0 HH22 ARG A 65 22.103 1.711 -36.024 1.00 0.00 H new ATOM 1232 N GLU A 66 16.462 4.795 -31.305 1.00 0.00 N ATOM 1233 CA GLU A 66 15.225 5.454 -31.744 1.00 0.00 C ATOM 1234 C GLU A 66 14.343 4.481 -32.577 1.00 0.00 C ATOM 1235 O GLU A 66 14.681 4.135 -33.712 1.00 0.00 O ATOM 1236 CB GLU A 66 15.593 6.752 -32.523 1.00 0.00 C ATOM 1237 CG GLU A 66 14.538 7.876 -32.471 1.00 0.00 C ATOM 1238 CD GLU A 66 14.994 9.147 -33.206 1.00 0.00 C ATOM 1239 OE1 GLU A 66 14.985 9.164 -34.454 1.00 0.00 O ATOM 1240 OE2 GLU A 66 15.395 10.124 -32.536 1.00 0.00 O ATOM 0 H GLU A 66 17.303 5.227 -31.687 1.00 0.00 H new ATOM 0 HA GLU A 66 14.625 5.737 -30.879 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.532 7.139 -32.127 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.771 6.491 -33.566 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.609 7.518 -32.914 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.322 8.120 -31.431 1.00 0.00 H new ATOM 1247 N VAL A 67 13.209 4.056 -31.979 1.00 0.00 N ATOM 1248 CA VAL A 67 12.309 3.011 -32.533 1.00 0.00 C ATOM 1249 C VAL A 67 11.530 3.438 -33.785 1.00 0.00 C ATOM 1250 O VAL A 67 10.782 2.634 -34.337 1.00 0.00 O ATOM 1251 CB VAL A 67 11.316 2.469 -31.448 1.00 0.00 C ATOM 1252 CG1 VAL A 67 12.071 1.783 -30.306 1.00 0.00 C ATOM 1253 CG2 VAL A 67 10.397 3.575 -30.892 1.00 0.00 C ATOM 0 H VAL A 67 12.886 4.431 -31.087 1.00 0.00 H new ATOM 0 HA VAL A 67 12.982 2.213 -32.846 1.00 0.00 H new ATOM 0 HB VAL A 67 10.682 1.734 -31.943 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.358 1.416 -29.567 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.647 0.946 -30.701 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.746 2.498 -29.835 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.728 3.150 -30.144 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.004 4.356 -30.434 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.809 4.002 -31.704 1.00 0.00 H new ATOM 1263 N VAL A 68 11.702 4.687 -34.235 1.00 0.00 N ATOM 1264 CA VAL A 68 11.137 5.149 -35.517 1.00 0.00 C ATOM 1265 C VAL A 68 11.837 4.450 -36.712 1.00 0.00 C ATOM 1266 O VAL A 68 11.270 4.358 -37.803 1.00 0.00 O ATOM 1267 CB VAL A 68 11.248 6.710 -35.662 1.00 0.00 C ATOM 1268 CG1 VAL A 68 10.556 7.430 -34.478 1.00 0.00 C ATOM 1269 CG2 VAL A 68 12.722 7.165 -35.808 1.00 0.00 C ATOM 0 H VAL A 68 12.229 5.401 -33.731 1.00 0.00 H new ATOM 0 HA VAL A 68 10.080 4.881 -35.525 1.00 0.00 H new ATOM 0 HB VAL A 68 10.727 6.992 -36.577 1.00 0.00 H new ATOM 0 HG11 VAL A 68 10.648 8.509 -34.604 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.501 7.156 -34.452 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.031 7.132 -33.543 1.00 0.00 H new ATOM 0 HG21 VAL A 68 12.760 8.250 -35.906 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.286 6.860 -34.926 1.00 0.00 H new ATOM 0 HG23 VAL A 68 13.159 6.705 -36.695 1.00 0.00 H new ATOM 1279 N HIS A 69 13.073 3.956 -36.471 1.00 0.00 N ATOM 1280 CA HIS A 69 13.905 3.277 -37.493 1.00 0.00 C ATOM 1281 C HIS A 69 13.575 1.771 -37.569 1.00 0.00 C ATOM 1282 O HIS A 69 13.947 1.089 -38.532 1.00 0.00 O ATOM 1283 CB HIS A 69 15.408 3.484 -37.169 1.00 0.00 C ATOM 1284 CG HIS A 69 15.796 4.932 -36.993 1.00 0.00 C ATOM 1285 ND1 HIS A 69 15.685 5.874 -37.994 1.00 0.00 N ATOM 1286 CD2 HIS A 69 16.259 5.601 -35.911 1.00 0.00 C ATOM 1287 CE1 HIS A 69 16.048 7.052 -37.530 1.00 0.00 C ATOM 1288 NE2 HIS A 69 16.401 6.916 -36.267 1.00 0.00 N ATOM 0 H HIS A 69 13.524 4.017 -35.558 1.00 0.00 H new ATOM 0 HA HIS A 69 13.683 3.717 -38.465 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.653 2.938 -36.258 1.00 0.00 H new ATOM 0 HB3 HIS A 69 16.007 3.051 -37.971 1.00 0.00 H new ATOM 0 HD2 HIS A 69 16.477 5.175 -34.943 1.00 0.00 H new ATOM 0 HE1 HIS A 69 16.055 7.975 -38.090 1.00 0.00 H new ATOM 0 HE2 HIS A 69 16.726 7.666 -35.656 1.00 0.00 H new ATOM 1297 N LEU A 70 12.883 1.268 -36.530 1.00 0.00 N ATOM 1298 CA LEU A 70 12.423 -0.131 -36.438 1.00 0.00 C ATOM 1299 C LEU A 70 10.956 -0.155 -35.956 1.00 0.00 C ATOM 1300 O LEU A 70 10.199 0.778 -36.251 1.00 0.00 O ATOM 1301 CB LEU A 70 13.373 -0.979 -35.521 1.00 0.00 C ATOM 1302 CG LEU A 70 13.614 -0.478 -34.045 1.00 0.00 C ATOM 1303 CD1 LEU A 70 14.058 -1.639 -33.125 1.00 0.00 C ATOM 1304 CD2 LEU A 70 14.662 0.661 -33.992 1.00 0.00 C ATOM 0 H LEU A 70 12.624 1.830 -35.719 1.00 0.00 H new ATOM 0 HA LEU A 70 12.462 -0.594 -37.424 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.972 -1.991 -35.469 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.343 -1.045 -36.014 1.00 0.00 H new ATOM 0 HG LEU A 70 12.662 -0.087 -33.685 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.216 -1.262 -32.114 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.284 -2.407 -33.109 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.987 -2.067 -33.502 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.801 0.980 -32.959 1.00 0.00 H new ATOM 0 HD22 LEU A 70 15.610 0.302 -34.392 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.313 1.504 -34.588 1.00 0.00 H new ATOM 1316 N ASP A 71 10.536 -1.248 -35.297 1.00 0.00 N ATOM 1317 CA ASP A 71 9.206 -1.351 -34.680 1.00 0.00 C ATOM 1318 C ASP A 71 9.058 -0.327 -33.544 1.00 0.00 C ATOM 1319 O ASP A 71 9.754 -0.416 -32.528 1.00 0.00 O ATOM 1320 CB ASP A 71 8.984 -2.781 -34.146 1.00 0.00 C ATOM 1321 CG ASP A 71 8.936 -3.827 -35.272 1.00 0.00 C ATOM 1322 OD1 ASP A 71 7.842 -4.063 -35.835 1.00 0.00 O ATOM 1323 OD2 ASP A 71 9.996 -4.400 -35.611 1.00 0.00 O ATOM 0 H ASP A 71 11.109 -2.083 -35.178 1.00 0.00 H new ATOM 0 HA ASP A 71 8.451 -1.135 -35.436 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.785 -3.035 -33.452 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.051 -2.815 -33.583 1.00 0.00 H new ATOM 1328 N GLY A 72 8.160 0.652 -33.750 1.00 0.00 N ATOM 1329 CA GLY A 72 7.914 1.705 -32.770 1.00 0.00 C ATOM 1330 C GLY A 72 7.138 1.212 -31.561 1.00 0.00 C ATOM 1331 O GLY A 72 7.543 1.422 -30.411 1.00 0.00 O ATOM 0 H GLY A 72 7.593 0.729 -34.594 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.867 2.119 -32.441 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.362 2.516 -33.245 1.00 0.00 H new ATOM 1335 N MET A 73 6.023 0.528 -31.844 1.00 0.00 N ATOM 1336 CA MET A 73 5.048 0.117 -30.826 1.00 0.00 C ATOM 1337 C MET A 73 5.510 -1.153 -30.071 1.00 0.00 C ATOM 1338 O MET A 73 5.304 -1.264 -28.866 1.00 0.00 O ATOM 1339 CB MET A 73 3.661 -0.092 -31.496 1.00 0.00 C ATOM 1340 CG MET A 73 3.164 1.134 -32.285 1.00 0.00 C ATOM 1341 SD MET A 73 2.860 2.585 -31.242 1.00 0.00 S ATOM 1342 CE MET A 73 1.144 2.379 -30.741 1.00 0.00 C ATOM 0 H MET A 73 5.770 0.243 -32.790 1.00 0.00 H new ATOM 0 HA MET A 73 4.966 0.908 -30.080 1.00 0.00 H new ATOM 0 HB2 MET A 73 3.718 -0.948 -32.169 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.929 -0.339 -30.727 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.901 1.391 -33.046 1.00 0.00 H new ATOM 0 HG3 MET A 73 2.244 0.872 -32.808 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.540 3.176 -31.175 1.00 0.00 H new ATOM 0 HE2 MET A 73 0.776 1.414 -31.090 1.00 0.00 H new ATOM 0 HE3 MET A 73 1.075 2.422 -29.654 1.00 0.00 H new ATOM 1352 N ALA A 74 6.160 -2.103 -30.769 1.00 0.00 N ATOM 1353 CA ALA A 74 6.626 -3.369 -30.145 1.00 0.00 C ATOM 1354 C ALA A 74 8.032 -3.745 -30.644 1.00 0.00 C ATOM 1355 O ALA A 74 8.200 -4.594 -31.528 1.00 0.00 O ATOM 1356 CB ALA A 74 5.601 -4.498 -30.375 1.00 0.00 C ATOM 0 H ALA A 74 6.377 -2.024 -31.763 1.00 0.00 H new ATOM 0 HA ALA A 74 6.704 -3.219 -29.068 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.961 -5.416 -29.911 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.645 -4.218 -29.932 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.471 -4.659 -31.445 1.00 0.00 H new ATOM 1362 N THR A 75 9.034 -3.056 -30.078 1.00 0.00 N ATOM 1363 CA THR A 75 10.459 -3.278 -30.382 1.00 0.00 C ATOM 1364 C THR A 75 11.036 -4.488 -29.596 1.00 0.00 C ATOM 1365 O THR A 75 11.252 -5.565 -30.177 1.00 0.00 O ATOM 1366 CB THR A 75 11.313 -1.971 -30.129 1.00 0.00 C ATOM 1367 OG1 THR A 75 12.718 -2.265 -30.131 1.00 0.00 O ATOM 1368 CG2 THR A 75 10.947 -1.253 -28.812 1.00 0.00 C ATOM 0 H THR A 75 8.878 -2.321 -29.389 1.00 0.00 H new ATOM 0 HA THR A 75 10.527 -3.519 -31.443 1.00 0.00 H new ATOM 0 HB THR A 75 11.073 -1.298 -30.952 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.225 -1.441 -29.974 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.568 -0.365 -28.697 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.897 -0.961 -28.836 1.00 0.00 H new ATOM 0 HG23 THR A 75 11.117 -1.926 -27.971 1.00 0.00 H new ATOM 1376 N ALA A 76 11.210 -4.322 -28.265 1.00 0.00 N ATOM 1377 CA ALA A 76 12.044 -5.210 -27.424 1.00 0.00 C ATOM 1378 C ALA A 76 11.910 -4.843 -25.933 1.00 0.00 C ATOM 1379 O ALA A 76 12.819 -5.097 -25.136 1.00 0.00 O ATOM 1380 CB ALA A 76 13.523 -5.090 -27.866 1.00 0.00 C ATOM 0 H ALA A 76 10.773 -3.564 -27.741 1.00 0.00 H new ATOM 0 HA ALA A 76 11.702 -6.237 -27.552 1.00 0.00 H new ATOM 0 HB1 ALA A 76 14.141 -5.742 -27.249 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.615 -5.384 -28.911 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.855 -4.058 -27.749 1.00 0.00 H new ATOM 1386 N LEU A 77 10.755 -4.285 -25.556 1.00 0.00 N ATOM 1387 CA LEU A 77 10.553 -3.662 -24.234 1.00 0.00 C ATOM 1388 C LEU A 77 10.395 -4.723 -23.125 1.00 0.00 C ATOM 1389 O LEU A 77 9.830 -5.788 -23.363 1.00 0.00 O ATOM 1390 CB LEU A 77 9.314 -2.740 -24.283 1.00 0.00 C ATOM 1391 CG LEU A 77 9.103 -1.838 -23.031 1.00 0.00 C ATOM 1392 CD1 LEU A 77 10.327 -0.935 -22.792 1.00 0.00 C ATOM 1393 CD2 LEU A 77 7.827 -0.996 -23.160 1.00 0.00 C ATOM 0 H LEU A 77 9.931 -4.250 -26.156 1.00 0.00 H new ATOM 0 HA LEU A 77 11.437 -3.071 -23.993 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.393 -2.100 -25.162 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.427 -3.359 -24.418 1.00 0.00 H new ATOM 0 HG LEU A 77 8.987 -2.493 -22.168 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.155 -0.315 -21.912 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.210 -1.554 -22.633 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.483 -0.296 -23.661 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.708 -0.377 -22.271 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.900 -0.356 -24.040 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.965 -1.655 -23.262 1.00 0.00 H new ATOM 1405 N ASP A 78 10.930 -4.419 -21.928 1.00 0.00 N ATOM 1406 CA ASP A 78 10.968 -5.367 -20.800 1.00 0.00 C ATOM 1407 C ASP A 78 11.102 -4.598 -19.463 1.00 0.00 C ATOM 1408 O ASP A 78 11.050 -3.360 -19.440 1.00 0.00 O ATOM 1409 CB ASP A 78 12.154 -6.358 -21.024 1.00 0.00 C ATOM 1410 CG ASP A 78 12.110 -7.624 -20.148 1.00 0.00 C ATOM 1411 OD1 ASP A 78 11.311 -8.532 -20.451 1.00 0.00 O ATOM 1412 OD2 ASP A 78 12.834 -7.692 -19.128 1.00 0.00 O ATOM 0 H ASP A 78 11.347 -3.512 -21.716 1.00 0.00 H new ATOM 0 HA ASP A 78 10.041 -5.938 -20.749 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.166 -6.658 -22.072 1.00 0.00 H new ATOM 0 HB3 ASP A 78 13.090 -5.833 -20.832 1.00 0.00 H new ATOM 1417 N ASP A 79 11.232 -5.349 -18.353 1.00 0.00 N ATOM 1418 CA ASP A 79 11.479 -4.797 -17.006 1.00 0.00 C ATOM 1419 C ASP A 79 12.841 -4.080 -16.935 1.00 0.00 C ATOM 1420 O ASP A 79 13.822 -4.542 -17.523 1.00 0.00 O ATOM 1421 CB ASP A 79 11.407 -5.936 -15.952 1.00 0.00 C ATOM 1422 CG ASP A 79 11.564 -5.457 -14.495 1.00 0.00 C ATOM 1423 OD1 ASP A 79 10.584 -4.941 -13.918 1.00 0.00 O ATOM 1424 OD2 ASP A 79 12.667 -5.597 -13.913 1.00 0.00 O ATOM 0 H ASP A 79 11.168 -6.367 -18.366 1.00 0.00 H new ATOM 0 HA ASP A 79 10.707 -4.058 -16.790 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.451 -6.450 -16.053 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.186 -6.667 -16.169 1.00 0.00 H new ATOM 1429 N GLY A 80 12.865 -2.943 -16.218 1.00 0.00 N ATOM 1430 CA GLY A 80 14.074 -2.130 -16.018 1.00 0.00 C ATOM 1431 C GLY A 80 14.422 -1.216 -17.192 1.00 0.00 C ATOM 1432 O GLY A 80 15.323 -0.377 -17.081 1.00 0.00 O ATOM 0 H GLY A 80 12.039 -2.561 -15.758 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.943 -1.519 -15.125 1.00 0.00 H new ATOM 0 HA3 GLY A 80 14.917 -2.795 -15.829 1.00 0.00 H new ATOM 1436 N ASP A 81 13.690 -1.363 -18.307 1.00 0.00 N ATOM 1437 CA ASP A 81 14.024 -0.711 -19.586 1.00 0.00 C ATOM 1438 C ASP A 81 13.591 0.765 -19.627 1.00 0.00 C ATOM 1439 O ASP A 81 12.464 1.115 -19.256 1.00 0.00 O ATOM 1440 CB ASP A 81 13.417 -1.510 -20.776 1.00 0.00 C ATOM 1441 CG ASP A 81 14.228 -2.761 -21.187 1.00 0.00 C ATOM 1442 OD1 ASP A 81 15.400 -2.903 -20.777 1.00 0.00 O ATOM 1443 OD2 ASP A 81 13.723 -3.563 -21.998 1.00 0.00 O ATOM 0 H ASP A 81 12.848 -1.938 -18.349 1.00 0.00 H new ATOM 0 HA ASP A 81 15.110 -0.715 -19.679 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.406 -1.819 -20.512 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.333 -0.847 -21.637 1.00 0.00 H new ATOM 1448 N ALA A 82 14.517 1.619 -20.102 1.00 0.00 N ATOM 1449 CA ALA A 82 14.322 3.072 -20.200 1.00 0.00 C ATOM 1450 C ALA A 82 13.840 3.458 -21.618 1.00 0.00 C ATOM 1451 O ALA A 82 14.615 3.432 -22.572 1.00 0.00 O ATOM 1452 CB ALA A 82 15.624 3.817 -19.831 1.00 0.00 C ATOM 0 H ALA A 82 15.432 1.312 -20.432 1.00 0.00 H new ATOM 0 HA ALA A 82 13.551 3.371 -19.490 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.463 4.892 -19.909 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.910 3.566 -18.810 1.00 0.00 H new ATOM 0 HB3 ALA A 82 16.420 3.519 -20.514 1.00 0.00 H new ATOM 1458 N VAL A 83 12.548 3.795 -21.742 1.00 0.00 N ATOM 1459 CA VAL A 83 11.965 4.352 -22.985 1.00 0.00 C ATOM 1460 C VAL A 83 12.174 5.877 -22.964 1.00 0.00 C ATOM 1461 O VAL A 83 12.033 6.484 -21.913 1.00 0.00 O ATOM 1462 CB VAL A 83 10.412 4.057 -23.092 1.00 0.00 C ATOM 1463 CG1 VAL A 83 9.815 4.533 -24.442 1.00 0.00 C ATOM 1464 CG2 VAL A 83 10.104 2.564 -22.850 1.00 0.00 C ATOM 0 H VAL A 83 11.872 3.691 -20.986 1.00 0.00 H new ATOM 0 HA VAL A 83 12.456 3.886 -23.839 1.00 0.00 H new ATOM 0 HB VAL A 83 9.929 4.635 -22.304 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.749 4.309 -24.467 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.962 5.608 -24.546 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.314 4.017 -25.262 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.030 2.396 -22.931 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.622 1.960 -23.595 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.442 2.280 -21.853 1.00 0.00 H new ATOM 1474 N SER A 84 12.552 6.483 -24.093 1.00 0.00 N ATOM 1475 CA SER A 84 12.641 7.959 -24.218 1.00 0.00 C ATOM 1476 C SER A 84 11.666 8.459 -25.289 1.00 0.00 C ATOM 1477 O SER A 84 11.293 7.706 -26.183 1.00 0.00 O ATOM 1478 CB SER A 84 14.082 8.385 -24.547 1.00 0.00 C ATOM 1479 OG SER A 84 14.944 8.144 -23.449 1.00 0.00 O ATOM 0 H SER A 84 12.805 5.980 -24.943 1.00 0.00 H new ATOM 0 HA SER A 84 12.364 8.409 -23.265 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.437 7.837 -25.420 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.102 9.444 -24.805 1.00 0.00 H new ATOM 0 HG SER A 84 15.855 8.421 -23.681 1.00 0.00 H new ATOM 1485 N VAL A 85 11.238 9.733 -25.178 1.00 0.00 N ATOM 1486 CA VAL A 85 10.303 10.370 -26.127 1.00 0.00 C ATOM 1487 C VAL A 85 10.657 11.866 -26.301 1.00 0.00 C ATOM 1488 O VAL A 85 11.085 12.544 -25.358 1.00 0.00 O ATOM 1489 CB VAL A 85 8.778 10.245 -25.701 1.00 0.00 C ATOM 1490 CG1 VAL A 85 8.285 8.774 -25.611 1.00 0.00 C ATOM 1491 CG2 VAL A 85 8.517 10.981 -24.381 1.00 0.00 C ATOM 0 H VAL A 85 11.533 10.352 -24.423 1.00 0.00 H new ATOM 0 HA VAL A 85 10.419 9.832 -27.068 1.00 0.00 H new ATOM 0 HB VAL A 85 8.201 10.719 -26.495 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.236 8.759 -25.316 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.395 8.293 -26.583 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.878 8.236 -24.871 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.466 10.881 -24.110 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.137 10.549 -23.595 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.763 12.036 -24.498 1.00 0.00 H new ATOM 1501 N PHE A 86 10.479 12.341 -27.527 1.00 0.00 N ATOM 1502 CA PHE A 86 10.602 13.746 -27.928 1.00 0.00 C ATOM 1503 C PHE A 86 9.371 14.009 -28.827 1.00 0.00 C ATOM 1504 O PHE A 86 9.098 13.175 -29.698 1.00 0.00 O ATOM 1505 CB PHE A 86 11.890 14.022 -28.776 1.00 0.00 C ATOM 1506 CG PHE A 86 13.245 13.686 -28.140 1.00 0.00 C ATOM 1507 CD1 PHE A 86 13.634 12.363 -27.957 1.00 0.00 C ATOM 1508 CD2 PHE A 86 14.147 14.687 -27.760 1.00 0.00 C ATOM 1509 CE1 PHE A 86 14.865 12.048 -27.419 1.00 0.00 C ATOM 1510 CE2 PHE A 86 15.388 14.365 -27.228 1.00 0.00 C ATOM 1511 CZ PHE A 86 15.738 13.037 -27.055 1.00 0.00 C ATOM 0 H PHE A 86 10.233 11.733 -28.309 1.00 0.00 H new ATOM 0 HA PHE A 86 10.662 14.382 -27.045 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.807 13.460 -29.706 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.897 15.079 -29.042 1.00 0.00 H new ATOM 0 HD1 PHE A 86 12.960 11.568 -28.241 1.00 0.00 H new ATOM 0 HD2 PHE A 86 13.873 15.725 -27.883 1.00 0.00 H new ATOM 0 HE1 PHE A 86 15.142 11.013 -27.284 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.078 15.148 -26.950 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.699 12.782 -26.633 1.00 0.00 H new ATOM 1521 N PRO A 87 8.612 15.134 -28.650 1.00 0.00 N ATOM 1522 CA PRO A 87 7.420 15.457 -29.484 1.00 0.00 C ATOM 1523 C PRO A 87 7.757 15.596 -30.983 1.00 0.00 C ATOM 1524 O PRO A 87 8.934 15.802 -31.334 1.00 0.00 O ATOM 1525 CB PRO A 87 6.914 16.807 -28.894 1.00 0.00 C ATOM 1526 CG PRO A 87 8.080 17.356 -28.158 1.00 0.00 C ATOM 1527 CD PRO A 87 8.827 16.159 -27.623 1.00 0.00 C ATOM 0 HA PRO A 87 6.675 14.662 -29.448 1.00 0.00 H new ATOM 0 HB2 PRO A 87 6.587 17.486 -29.682 1.00 0.00 H new ATOM 0 HB3 PRO A 87 6.063 16.655 -28.231 1.00 0.00 H new ATOM 0 HG2 PRO A 87 8.714 17.951 -28.816 1.00 0.00 H new ATOM 0 HG3 PRO A 87 7.759 18.011 -27.348 1.00 0.00 H new ATOM 0 HD2 PRO A 87 9.887 16.375 -27.487 1.00 0.00 H new ATOM 0 HD3 PRO A 87 8.439 15.844 -26.654 1.00 0.00 H new ATOM 1535 N PRO A 88 6.731 15.495 -31.896 1.00 0.00 N ATOM 1536 CA PRO A 88 6.966 15.586 -33.340 1.00 0.00 C ATOM 1537 C PRO A 88 7.538 16.957 -33.739 1.00 0.00 C ATOM 1538 O PRO A 88 7.006 18.010 -33.363 1.00 0.00 O ATOM 1539 CB PRO A 88 5.574 15.316 -33.974 1.00 0.00 C ATOM 1540 CG PRO A 88 4.585 15.620 -32.892 1.00 0.00 C ATOM 1541 CD PRO A 88 5.287 15.293 -31.588 1.00 0.00 C ATOM 0 HA PRO A 88 7.713 14.871 -33.686 1.00 0.00 H new ATOM 0 HB2 PRO A 88 5.410 15.948 -34.847 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.487 14.282 -34.308 1.00 0.00 H new ATOM 0 HG2 PRO A 88 4.282 16.667 -32.922 1.00 0.00 H new ATOM 0 HG3 PRO A 88 3.681 15.023 -33.010 1.00 0.00 H new ATOM 0 HD2 PRO A 88 4.956 15.947 -30.781 1.00 0.00 H new ATOM 0 HD3 PRO A 88 5.086 14.269 -31.272 1.00 0.00 H new