USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 702 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 Set 1.1: A 23 SER OG : rot -132:sc= 1.02 USER MOD Set 1.2: A 43 ASN :FLIP amide:sc= -1.29! F(o=-1.1,f=-0.28!) USER MOD Set 2.1: A 15 MET CE :methyl 165:sc= -0.262 (180deg=-0.694) USER MOD Set 2.2: A 73 SER OG : rot 154:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.524 K(o=-0.52,f=-2.6!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0112 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.924 X(o=-0.92,f=-0.97) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -137:sc= 0.971 (180deg=0.128) USER MOD Single : A 55 GLN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 57 THR OG1 : rot 56:sc= 0.602 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.839 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 71 SER OG : rot 150:sc= 0.00538 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -99:sc= -1.13! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 170:sc=-0.00429 (180deg=-0.148) USER MOD ----------------------------------------------------------------- ATOM 200 C MET A 15 -7.900 -9.746 14.050 1.00 0.00 C ATOM 201 CA MET A 15 -6.518 -9.132 13.751 1.00 0.00 C ATOM 202 CB MET A 15 -6.116 -8.127 14.870 1.00 0.00 C ATOM 203 CE MET A 15 -2.798 -8.685 16.241 1.00 0.00 C ATOM 204 CG MET A 15 -4.764 -7.418 14.666 1.00 0.00 C ATOM 214 N MET A 15 -6.533 -8.492 12.421 1.00 0.00 N ATOM 215 O MET A 15 -7.979 -10.879 14.520 1.00 0.00 O ATOM 216 SD MET A 15 -3.358 -8.553 14.538 1.00 0.00 S ATOM 0 HA MET A 15 -5.766 -9.921 13.737 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.896 -7.370 14.952 1.00 0.00 H new ATOM 0 HB3 MET A 15 -6.088 -8.660 15.821 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.814 -6.813 13.761 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.593 -6.734 15.498 1.00 0.00 H new ATOM 0 HE1 MET A 15 -2.128 -9.539 16.339 1.00 0.00 H new ATOM 0 HE2 MET A 15 -2.268 -7.775 16.521 1.00 0.00 H new ATOM 0 HE3 MET A 15 -3.658 -8.821 16.897 1.00 0.00 H new ATOM 217 C GLU A 16 -10.573 -10.783 13.037 1.00 0.00 C ATOM 218 CA GLU A 16 -10.376 -9.461 13.809 1.00 0.00 C ATOM 219 CB GLU A 16 -11.348 -8.376 13.260 1.00 0.00 C ATOM 220 CD GLU A 16 -11.965 -7.313 15.508 1.00 0.00 C ATOM 221 CG GLU A 16 -11.416 -7.081 14.089 1.00 0.00 C ATOM 228 N GLU A 16 -8.973 -8.990 13.713 1.00 0.00 N ATOM 229 O GLU A 16 -10.990 -11.811 13.607 1.00 0.00 O ATOM 230 OE1 GLU A 16 -13.189 -7.550 15.645 1.00 0.00 O ATOM 231 OE2 GLU A 16 -11.189 -7.272 16.487 1.00 0.00 O ATOM 0 H GLU A 16 -8.889 -8.034 13.366 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.598 -9.642 14.861 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.048 -8.123 12.243 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -12.349 -8.804 13.200 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.419 -6.645 14.156 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.047 -6.357 13.573 1.00 0.00 H new ATOM 232 C MET A 17 -9.617 -13.118 11.360 1.00 0.00 C ATOM 233 CA MET A 17 -10.365 -11.885 10.828 1.00 0.00 C ATOM 234 CB MET A 17 -9.873 -11.518 9.406 1.00 0.00 C ATOM 235 CE MET A 17 -13.184 -9.556 7.678 1.00 0.00 C ATOM 236 CG MET A 17 -10.730 -10.460 8.703 1.00 0.00 C ATOM 246 N MET A 17 -10.215 -10.741 11.743 1.00 0.00 N ATOM 247 O MET A 17 -10.190 -14.186 11.432 1.00 0.00 O ATOM 248 SD MET A 17 -12.460 -10.965 8.529 1.00 0.00 S ATOM 0 H MET A 17 -9.814 -9.914 11.302 1.00 0.00 H new ATOM 0 HA MET A 17 -11.425 -12.133 10.770 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.847 -11.156 9.470 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.855 -12.420 8.795 1.00 0.00 H new ATOM 0 HG2 MET A 17 -10.683 -9.528 9.266 1.00 0.00 H new ATOM 0 HG3 MET A 17 -10.314 -10.258 7.716 1.00 0.00 H new ATOM 0 HE1 MET A 17 -14.245 -9.738 7.510 1.00 0.00 H new ATOM 0 HE2 MET A 17 -13.062 -8.661 8.288 1.00 0.00 H new ATOM 0 HE3 MET A 17 -12.684 -9.414 6.720 1.00 0.00 H new ATOM 249 C LEU A 18 -8.063 -14.700 13.550 1.00 0.00 C ATOM 250 CA LEU A 18 -7.475 -13.983 12.311 1.00 0.00 C ATOM 251 CB LEU A 18 -6.089 -13.375 12.645 1.00 0.00 C ATOM 252 CD1 LEU A 18 -4.093 -11.921 11.886 1.00 0.00 C ATOM 253 CD2 LEU A 18 -4.865 -13.879 10.463 1.00 0.00 C ATOM 254 CG LEU A 18 -5.299 -12.774 11.436 1.00 0.00 C ATOM 266 N LEU A 18 -8.370 -12.915 11.814 1.00 0.00 N ATOM 267 O LEU A 18 -7.859 -15.910 13.724 1.00 0.00 O ATOM 0 H LEU A 18 -7.944 -11.989 11.848 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.370 -14.733 11.527 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.227 -12.591 13.390 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.476 -14.149 13.107 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.979 -12.102 10.912 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.579 -11.527 11.009 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.443 -11.094 12.504 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.405 -12.539 12.463 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.318 -13.437 9.631 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.223 -14.590 10.983 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.746 -14.396 10.084 1.00 0.00 H new ATOM 268 C GLN A 19 -10.490 -15.539 15.195 1.00 0.00 C ATOM 269 CA GLN A 19 -9.490 -14.450 15.603 1.00 0.00 C ATOM 270 CB GLN A 19 -10.270 -13.311 16.327 1.00 0.00 C ATOM 271 CD GLN A 19 -10.212 -10.937 17.287 1.00 0.00 C ATOM 272 CG GLN A 19 -9.406 -12.185 16.918 1.00 0.00 C ATOM 281 N GLN A 19 -8.775 -13.925 14.409 1.00 0.00 N ATOM 282 NE2 GLN A 19 -9.629 -9.763 17.095 1.00 0.00 N ATOM 283 O GLN A 19 -10.466 -16.666 15.706 1.00 0.00 O ATOM 284 OE1 GLN A 19 -11.371 -11.028 17.694 1.00 0.00 O ATOM 0 H GLN A 19 -8.870 -12.916 14.293 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.741 -14.867 16.277 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.974 -12.871 15.620 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.859 -13.753 17.131 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.896 -12.556 17.807 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.635 -11.912 16.198 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.668 -9.720 16.757 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.142 -8.902 17.285 1.00 0.00 H new ATOM 285 C ARG A 20 -12.151 -16.912 12.617 1.00 0.00 C ATOM 286 CA ARG A 20 -12.501 -16.000 13.813 1.00 0.00 C ATOM 287 CB ARG A 20 -13.719 -15.084 13.524 1.00 0.00 C ATOM 288 CD ARG A 20 -14.187 -12.647 12.844 1.00 0.00 C ATOM 289 CG ARG A 20 -13.461 -13.957 12.486 1.00 0.00 C ATOM 290 CZ ARG A 20 -13.970 -10.891 14.637 1.00 0.00 C ATOM 304 N ARG A 20 -11.359 -15.166 14.246 1.00 0.00 N ATOM 305 NE ARG A 20 -13.720 -12.117 14.151 1.00 0.00 N ATOM 306 NH1 ARG A 20 -14.767 -10.051 13.998 1.00 0.00 N ATOM 307 NH2 ARG A 20 -13.425 -10.508 15.783 1.00 0.00 N ATOM 308 O ARG A 20 -12.956 -17.769 12.242 1.00 0.00 O ATOM 0 H ARG A 20 -11.294 -14.276 13.752 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.760 -16.683 14.622 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.544 -15.702 13.169 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -14.042 -14.628 14.460 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.390 -13.768 12.419 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.788 -14.292 11.502 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.012 -11.906 12.064 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.262 -12.822 12.882 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.159 -12.741 14.731 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -15.204 -10.331 13.120 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.945 -9.123 14.383 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.815 -11.145 16.296 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.615 -9.576 16.152 1.00 0.00 H new ATOM 309 C GLU A 21 -9.739 -18.787 11.420 1.00 0.00 C ATOM 310 CA GLU A 21 -10.484 -17.555 10.894 1.00 0.00 C ATOM 311 CB GLU A 21 -9.556 -16.741 9.949 1.00 0.00 C ATOM 312 CD GLU A 21 -10.369 -17.767 7.737 1.00 0.00 C ATOM 313 CG GLU A 21 -9.163 -17.456 8.640 1.00 0.00 C ATOM 320 N GLU A 21 -10.953 -16.730 12.027 1.00 0.00 N ATOM 321 O GLU A 21 -10.151 -19.928 11.181 1.00 0.00 O ATOM 322 OE1 GLU A 21 -10.863 -18.920 7.740 1.00 0.00 O ATOM 323 OE2 GLU A 21 -10.845 -16.850 7.026 1.00 0.00 O ATOM 0 H GLU A 21 -10.288 -16.014 12.319 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.356 -17.872 10.322 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.052 -15.804 9.698 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.646 -16.485 10.492 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.456 -16.834 8.091 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.648 -18.386 8.881 1.00 0.00 H new ATOM 324 C TYR A 22 -8.150 -19.909 14.117 1.00 0.00 C ATOM 325 CA TYR A 22 -7.759 -19.586 12.671 1.00 0.00 C ATOM 326 CB TYR A 22 -6.272 -19.153 12.561 1.00 0.00 C ATOM 327 CD1 TYR A 22 -5.733 -17.512 10.675 1.00 0.00 C ATOM 328 CD2 TYR A 22 -5.513 -19.846 10.224 1.00 0.00 C ATOM 329 CE1 TYR A 22 -5.346 -17.225 9.377 1.00 0.00 C ATOM 330 CE2 TYR A 22 -5.123 -19.561 8.928 1.00 0.00 C ATOM 331 CG TYR A 22 -5.824 -18.828 11.128 1.00 0.00 C ATOM 332 CZ TYR A 22 -5.041 -18.252 8.509 1.00 0.00 C ATOM 342 N TYR A 22 -8.633 -18.534 12.143 1.00 0.00 N ATOM 343 O TYR A 22 -8.889 -20.875 14.364 1.00 0.00 O ATOM 344 OH TYR A 22 -4.648 -17.968 7.214 1.00 0.00 O ATOM 0 H TYR A 22 -8.323 -17.590 12.376 1.00 0.00 H new ATOM 0 HA TYR A 22 -7.882 -20.493 12.079 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -6.111 -18.277 13.189 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.641 -19.949 12.957 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.969 -16.702 11.349 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -5.578 -20.876 10.543 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.283 -16.199 9.045 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.883 -20.363 8.246 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.469 -18.804 6.735 1.00 0.00 H new ATOM 345 C SER A 23 -7.679 -18.027 17.321 1.00 0.00 C ATOM 346 CA SER A 23 -7.880 -19.310 16.505 1.00 0.00 C ATOM 347 CB SER A 23 -6.879 -20.386 17.011 1.00 0.00 C ATOM 353 N SER A 23 -7.699 -19.067 15.066 1.00 0.00 N ATOM 354 O SER A 23 -6.884 -17.153 16.954 1.00 0.00 O ATOM 355 OG SER A 23 -7.091 -21.644 16.389 1.00 0.00 O ATOM 0 H SER A 23 -7.201 -18.202 14.855 1.00 0.00 H new ATOM 0 HA SER A 23 -8.902 -19.662 16.643 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.860 -20.053 16.817 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.978 -20.494 18.091 1.00 0.00 H new ATOM 0 HG SER A 23 -7.116 -22.346 17.072 1.00 0.00 H new ATOM 356 C THR A 24 -7.413 -17.849 20.614 1.00 0.00 C ATOM 357 CA THR A 24 -8.151 -17.042 19.534 1.00 0.00 C ATOM 358 CB THR A 24 -9.477 -16.471 20.133 1.00 0.00 C ATOM 359 CG2 THR A 24 -10.143 -15.449 19.209 1.00 0.00 C ATOM 367 N THR A 24 -8.431 -17.938 18.414 1.00 0.00 N ATOM 368 O THR A 24 -7.458 -19.091 20.615 1.00 0.00 O ATOM 369 OG1 THR A 24 -10.400 -17.546 20.382 1.00 0.00 O ATOM 0 H THR A 24 -9.272 -18.499 18.550 1.00 0.00 H new ATOM 0 HA THR A 24 -7.545 -16.205 19.188 1.00 0.00 H new ATOM 0 HB THR A 24 -9.216 -15.964 21.062 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.229 -17.184 20.759 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.060 -15.083 19.672 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.463 -14.614 19.041 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.381 -15.921 18.256 1.00 0.00 H new ATOM 370 C LEU A 25 -7.157 -17.753 23.841 1.00 0.00 C ATOM 371 CA LEU A 25 -6.124 -17.783 22.700 1.00 0.00 C ATOM 372 CB LEU A 25 -4.828 -17.031 23.099 1.00 0.00 C ATOM 373 CD1 LEU A 25 -3.370 -19.089 23.310 1.00 0.00 C ATOM 374 CD2 LEU A 25 -2.641 -16.910 24.393 1.00 0.00 C ATOM 375 CG LEU A 25 -3.838 -17.805 24.005 1.00 0.00 C ATOM 387 N LEU A 25 -6.718 -17.156 21.511 1.00 0.00 N ATOM 388 O LEU A 25 -7.722 -16.692 24.123 1.00 0.00 O ATOM 0 H LEU A 25 -6.548 -16.153 21.441 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.858 -18.819 22.489 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.305 -16.744 22.187 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.110 -16.110 23.609 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.353 -18.087 24.923 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.675 -19.622 23.959 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.231 -19.724 23.101 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.871 -18.835 22.375 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.958 -17.472 25.029 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.118 -16.591 23.491 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.001 -16.034 24.933 1.00 0.00 H new ATOM 389 C ARG A 26 -7.774 -18.873 26.937 1.00 0.00 C ATOM 390 CA ARG A 26 -8.444 -19.000 25.556 1.00 0.00 C ATOM 391 CB ARG A 26 -9.270 -20.320 25.468 1.00 0.00 C ATOM 392 CD ARG A 26 -9.392 -22.879 25.752 1.00 0.00 C ATOM 393 CG ARG A 26 -8.495 -21.630 25.754 1.00 0.00 C ATOM 394 CZ ARG A 26 -11.375 -23.709 27.020 1.00 0.00 C ATOM 408 N ARG A 26 -7.439 -18.916 24.471 1.00 0.00 N ATOM 409 NE ARG A 26 -10.380 -22.836 26.838 1.00 0.00 N ATOM 410 NH1 ARG A 26 -11.529 -24.751 26.215 1.00 0.00 N ATOM 411 NH2 ARG A 26 -12.202 -23.542 28.035 1.00 0.00 N ATOM 412 O ARG A 26 -8.272 -18.153 27.816 1.00 0.00 O ATOM 0 H ARG A 26 -6.988 -19.804 24.249 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.133 -18.165 25.429 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.100 -20.252 26.171 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.702 -20.388 24.470 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -7.712 -21.752 25.005 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.000 -21.548 26.722 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.906 -22.957 24.794 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.775 -23.771 25.856 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.300 -22.074 27.511 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.882 -24.897 25.440 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.295 -25.407 26.370 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.078 -22.753 28.670 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.966 -24.202 28.185 1.00 0.00 H new ATOM 413 C SER A 27 -4.447 -19.922 28.191 1.00 0.00 C ATOM 414 CA SER A 27 -5.949 -19.717 28.400 1.00 0.00 C ATOM 415 CB SER A 27 -6.540 -20.925 29.185 1.00 0.00 C ATOM 421 N SER A 27 -6.630 -19.562 27.105 1.00 0.00 N ATOM 422 O SER A 27 -4.005 -20.333 27.114 1.00 0.00 O ATOM 423 OG SER A 27 -7.926 -20.747 29.446 1.00 0.00 O ATOM 0 H SER A 27 -6.149 -20.031 26.337 1.00 0.00 H new ATOM 0 HA SER A 27 -6.106 -18.807 28.980 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.391 -21.841 28.613 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.004 -21.046 30.126 1.00 0.00 H new ATOM 0 HG SER A 27 -8.268 -21.522 29.938 1.00 0.00 H new ATOM 424 C VAL A 28 -1.853 -20.373 30.684 1.00 0.00 C ATOM 425 CA VAL A 28 -2.214 -19.822 29.294 1.00 0.00 C ATOM 426 CB VAL A 28 -1.402 -18.505 29.008 1.00 0.00 C ATOM 427 CG1 VAL A 28 0.120 -18.739 29.071 1.00 0.00 C ATOM 428 CG2 VAL A 28 -1.787 -17.896 27.653 1.00 0.00 C ATOM 438 N VAL A 28 -3.669 -19.586 29.232 1.00 0.00 N ATOM 439 O VAL A 28 -2.457 -19.975 31.685 1.00 0.00 O ATOM 0 H VAL A 28 -4.038 -19.135 30.069 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.947 -20.546 28.524 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.665 -17.799 29.796 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.641 -17.803 28.867 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.392 -19.097 30.064 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.405 -19.482 28.326 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.209 -16.987 27.485 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.576 -18.612 26.859 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.850 -17.655 27.651 1.00 0.00 H new ATOM 440 C GLN A 29 1.116 -22.154 31.880 1.00 0.00 C ATOM 441 CA GLN A 29 -0.401 -21.911 31.972 1.00 0.00 C ATOM 442 CB GLN A 29 -1.184 -23.237 32.213 1.00 0.00 C ATOM 443 CD GLN A 29 -1.895 -25.526 31.265 1.00 0.00 C ATOM 444 CG GLN A 29 -1.028 -24.284 31.091 1.00 0.00 C ATOM 453 N GLN A 29 -0.866 -21.280 30.731 1.00 0.00 N ATOM 454 NE2 GLN A 29 -1.444 -26.651 30.740 1.00 0.00 N ATOM 455 O GLN A 29 1.606 -22.750 30.908 1.00 0.00 O ATOM 456 OE1 GLN A 29 -2.976 -25.471 31.854 1.00 0.00 O ATOM 0 H GLN A 29 -0.365 -21.598 29.901 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.590 -21.256 32.822 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.849 -23.677 33.152 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.242 -23.003 32.330 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.272 -23.816 30.137 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.017 -24.589 31.038 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.545 -26.665 30.258 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.995 -27.506 30.816 1.00 0.00 H new ATOM 457 C TYR A 30 3.596 -23.243 33.568 1.00 0.00 C ATOM 458 CA TYR A 30 3.320 -21.870 32.936 1.00 0.00 C ATOM 459 CB TYR A 30 4.036 -20.746 33.737 1.00 0.00 C ATOM 460 CD1 TYR A 30 6.149 -21.207 35.126 1.00 0.00 C ATOM 461 CD2 TYR A 30 6.383 -20.990 32.759 1.00 0.00 C ATOM 462 CE1 TYR A 30 7.509 -21.449 35.237 1.00 0.00 C ATOM 463 CE2 TYR A 30 7.742 -21.229 32.868 1.00 0.00 C ATOM 464 CG TYR A 30 5.553 -20.973 33.882 1.00 0.00 C ATOM 465 CZ TYR A 30 8.301 -21.456 34.106 1.00 0.00 C ATOM 475 N TYR A 30 1.870 -21.654 32.865 1.00 0.00 N ATOM 476 O TYR A 30 3.378 -23.436 34.769 1.00 0.00 O ATOM 477 OH TYR A 30 9.659 -21.699 34.215 1.00 0.00 O ATOM 0 H TYR A 30 1.496 -21.092 33.630 1.00 0.00 H new ATOM 0 HA TYR A 30 3.721 -21.843 31.923 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.864 -19.790 33.242 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.590 -20.675 34.729 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.538 -21.199 36.016 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.955 -20.813 31.783 1.00 0.00 H new ATOM 0 HE1 TYR A 30 7.949 -21.632 36.206 1.00 0.00 H new ATOM 0 HE2 TYR A 30 8.363 -21.237 31.984 1.00 0.00 H new ATOM 0 HH TYR A 30 10.069 -21.670 33.325 1.00 0.00 H new ATOM 478 C ARG A 31 5.974 -25.406 33.614 1.00 0.00 C ATOM 479 CA ARG A 31 4.496 -25.510 33.214 1.00 0.00 C ATOM 480 CB ARG A 31 4.283 -26.604 32.128 1.00 0.00 C ATOM 481 CD ARG A 31 2.641 -28.035 30.784 1.00 0.00 C ATOM 482 CG ARG A 31 2.805 -26.914 31.824 1.00 0.00 C ATOM 483 CZ ARG A 31 0.643 -28.768 29.455 1.00 0.00 C ATOM 497 N ARG A 31 4.030 -24.205 32.741 1.00 0.00 N ATOM 498 NE ARG A 31 1.224 -28.405 30.606 1.00 0.00 N ATOM 499 NH1 ARG A 31 1.287 -28.708 28.293 1.00 0.00 N ATOM 500 NH2 ARG A 31 -0.609 -29.182 29.483 1.00 0.00 N ATOM 501 O ARG A 31 6.860 -25.486 32.763 1.00 0.00 O ATOM 0 H ARG A 31 4.067 -24.097 31.727 1.00 0.00 H new ATOM 0 HA ARG A 31 3.913 -25.804 34.087 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.773 -26.286 31.207 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.776 -27.521 32.451 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.300 -27.202 32.746 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.315 -26.011 31.461 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.056 -27.711 29.830 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.210 -28.910 31.098 1.00 0.00 H new ATOM 0 HE ARG A 31 0.632 -28.382 31.436 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.252 -28.378 28.261 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.816 -28.992 27.434 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.114 -29.221 30.369 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.072 -29.464 28.619 1.00 0.00 H new ATOM 502 C SER A 32 8.176 -26.643 35.385 1.00 0.00 C ATOM 503 CA SER A 32 7.553 -25.229 35.534 1.00 0.00 C ATOM 504 CB SER A 32 7.444 -24.822 37.027 1.00 0.00 C ATOM 510 N SER A 32 6.209 -25.185 34.918 1.00 0.00 N ATOM 511 O SER A 32 9.395 -26.805 35.465 1.00 0.00 O ATOM 512 OG SER A 32 8.714 -24.744 37.658 1.00 0.00 O ATOM 0 H SER A 32 5.467 -24.968 35.583 1.00 0.00 H new ATOM 0 HA SER A 32 8.210 -24.525 35.022 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.943 -23.857 37.103 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.823 -25.546 37.554 1.00 0.00 H new ATOM 0 HG SER A 32 8.598 -24.483 38.596 1.00 0.00 H new ATOM 513 C GLU A 33 8.659 -29.070 33.628 1.00 0.00 C ATOM 514 CA GLU A 33 7.695 -29.039 34.834 1.00 0.00 C ATOM 515 CB GLU A 33 6.419 -29.867 34.524 1.00 0.00 C ATOM 516 CD GLU A 33 4.032 -30.505 35.198 1.00 0.00 C ATOM 517 CG GLU A 33 5.331 -29.798 35.613 1.00 0.00 C ATOM 524 N GLU A 33 7.304 -27.650 35.153 1.00 0.00 N ATOM 525 O GLU A 33 9.767 -29.611 33.705 1.00 0.00 O ATOM 526 OE1 GLU A 33 3.340 -29.996 34.286 1.00 0.00 O ATOM 527 OE2 GLU A 33 3.692 -31.566 35.774 1.00 0.00 O ATOM 0 H GLU A 33 6.293 -27.517 35.183 1.00 0.00 H new ATOM 0 HA GLU A 33 8.213 -29.472 35.690 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.995 -29.518 33.582 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.704 -30.909 34.379 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.710 -30.251 36.529 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.115 -28.754 35.840 1.00 0.00 H new ATOM 528 C GLU A 34 9.757 -27.011 31.173 1.00 0.00 C ATOM 529 CA GLU A 34 8.997 -28.347 31.277 1.00 0.00 C ATOM 530 CB GLU A 34 8.038 -28.510 30.068 1.00 0.00 C ATOM 531 CD GLU A 34 8.311 -31.037 29.729 1.00 0.00 C ATOM 532 CG GLU A 34 7.334 -29.875 29.977 1.00 0.00 C ATOM 539 N GLU A 34 8.225 -28.434 32.533 1.00 0.00 N ATOM 540 O GLU A 34 10.551 -26.827 30.244 1.00 0.00 O ATOM 541 OE1 GLU A 34 8.694 -31.267 28.559 1.00 0.00 O ATOM 542 OE2 GLU A 34 8.721 -31.714 30.699 1.00 0.00 O ATOM 0 H GLU A 34 7.323 -27.960 32.488 1.00 0.00 H new ATOM 0 HA GLU A 34 9.735 -29.149 31.273 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.279 -27.729 30.117 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.603 -28.348 29.150 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.787 -30.058 30.902 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.600 -29.846 29.172 1.00 0.00 H new ATOM 543 C GLY A 35 9.585 -23.924 30.897 1.00 0.00 C ATOM 544 CA GLY A 35 10.069 -24.738 32.100 1.00 0.00 C ATOM 548 N GLY A 35 9.499 -26.092 32.129 1.00 0.00 N ATOM 549 O GLY A 35 10.343 -23.134 30.321 1.00 0.00 O ATOM 0 H GLY A 35 8.896 -26.270 32.932 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.803 -24.216 33.019 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.157 -24.806 32.075 1.00 0.00 H new ATOM 550 C VAL A 36 6.358 -22.845 29.653 1.00 0.00 C ATOM 551 CA VAL A 36 7.689 -23.534 29.312 1.00 0.00 C ATOM 552 CB VAL A 36 7.425 -24.611 28.185 1.00 0.00 C ATOM 553 CG1 VAL A 36 8.740 -25.291 27.725 1.00 0.00 C ATOM 554 CG2 VAL A 36 6.374 -25.652 28.649 1.00 0.00 C ATOM 564 N VAL A 36 8.305 -24.133 30.518 1.00 0.00 N ATOM 565 O VAL A 36 5.646 -23.245 30.585 1.00 0.00 O ATOM 0 H VAL A 36 7.664 -24.727 31.045 1.00 0.00 H new ATOM 0 HA VAL A 36 8.401 -22.798 28.939 1.00 0.00 H new ATOM 0 HB VAL A 36 7.016 -24.091 27.318 1.00 0.00 H new ATOM 0 HG11 VAL A 36 8.518 -26.025 26.950 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.420 -24.537 27.327 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.208 -25.790 28.574 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.210 -26.382 27.856 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.736 -26.162 29.542 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.436 -25.146 28.876 1.00 0.00 H new ATOM 566 C ILE A 37 3.860 -21.818 27.814 1.00 0.00 C ATOM 567 CA ILE A 37 4.738 -21.140 28.886 1.00 0.00 C ATOM 568 CB ILE A 37 4.878 -19.605 28.585 1.00 0.00 C ATOM 569 CD1 ILE A 37 6.151 -17.457 29.264 1.00 0.00 C ATOM 570 CG1 ILE A 37 5.932 -18.939 29.522 1.00 0.00 C ATOM 571 CG2 ILE A 37 3.517 -18.891 28.705 1.00 0.00 C ATOM 583 N ILE A 37 6.047 -21.800 28.886 1.00 0.00 N ATOM 584 O ILE A 37 4.216 -21.842 26.628 1.00 0.00 O ATOM 0 H ILE A 37 6.709 -21.379 28.234 1.00 0.00 H new ATOM 0 HA ILE A 37 4.280 -21.237 29.870 1.00 0.00 H new ATOM 0 HB ILE A 37 5.228 -19.502 27.558 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.617 -19.073 30.557 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.883 -19.460 29.408 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.643 -17.830 28.492 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.815 -19.324 27.992 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.129 -19.014 29.716 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.898 -17.073 29.958 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.498 -17.313 28.241 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.213 -16.920 29.407 1.00 0.00 H new ATOM 585 C VAL A 38 0.573 -22.322 27.037 1.00 0.00 C ATOM 586 CA VAL A 38 1.818 -23.167 27.375 1.00 0.00 C ATOM 587 CB VAL A 38 1.412 -24.534 28.042 1.00 0.00 C ATOM 588 CG1 VAL A 38 0.319 -25.283 27.237 1.00 0.00 C ATOM 589 CG2 VAL A 38 2.664 -25.419 28.245 1.00 0.00 C ATOM 599 N VAL A 38 2.737 -22.410 28.248 1.00 0.00 N ATOM 600 O VAL A 38 -0.279 -22.073 27.892 1.00 0.00 O ATOM 0 H VAL A 38 2.436 -22.378 29.222 1.00 0.00 H new ATOM 0 HA VAL A 38 2.336 -23.392 26.443 1.00 0.00 H new ATOM 0 HB VAL A 38 0.977 -24.310 29.016 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.075 -26.219 27.739 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.575 -24.662 27.172 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.687 -25.495 26.233 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.372 -26.362 28.707 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.130 -25.617 27.280 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.374 -24.903 28.892 1.00 0.00 H new ATOM 601 C PHE A 39 -1.671 -22.000 24.673 1.00 0.00 C ATOM 602 CA PHE A 39 -0.574 -21.074 25.221 1.00 0.00 C ATOM 603 CB PHE A 39 -0.023 -20.167 24.089 1.00 0.00 C ATOM 604 CD1 PHE A 39 0.935 -18.034 25.041 1.00 0.00 C ATOM 605 CD2 PHE A 39 2.457 -19.769 24.407 1.00 0.00 C ATOM 606 CE1 PHE A 39 1.994 -17.250 25.440 1.00 0.00 C ATOM 607 CE2 PHE A 39 3.514 -18.990 24.804 1.00 0.00 C ATOM 608 CG PHE A 39 1.146 -19.303 24.518 1.00 0.00 C ATOM 609 CZ PHE A 39 3.282 -17.726 25.322 1.00 0.00 C ATOM 619 N PHE A 39 0.518 -21.874 25.781 1.00 0.00 N ATOM 620 O PHE A 39 -1.564 -22.509 23.550 1.00 0.00 O ATOM 0 H PHE A 39 1.256 -22.064 25.103 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.003 -20.447 26.003 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.287 -20.793 23.252 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.825 -19.524 23.727 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.073 -17.657 25.136 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.641 -20.754 24.004 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.816 -16.265 25.844 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.524 -19.361 24.713 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.113 -17.112 25.634 1.00 0.00 H new ATOM 621 C ILE A 40 -4.822 -22.292 24.194 1.00 0.00 C ATOM 622 CA ILE A 40 -3.838 -23.095 25.073 1.00 0.00 C ATOM 623 CB ILE A 40 -4.561 -23.692 26.332 1.00 0.00 C ATOM 624 CD1 ILE A 40 -4.120 -25.100 28.479 1.00 0.00 C ATOM 625 CG1 ILE A 40 -3.533 -24.470 27.225 1.00 0.00 C ATOM 626 CG2 ILE A 40 -5.761 -24.587 25.930 1.00 0.00 C ATOM 638 N ILE A 40 -2.713 -22.239 25.475 1.00 0.00 N ATOM 639 O ILE A 40 -5.436 -21.313 24.651 1.00 0.00 O ATOM 0 H ILE A 40 -2.802 -21.849 26.413 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.454 -23.930 24.487 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.968 -22.867 26.917 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.072 -25.254 26.624 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.738 -23.785 27.519 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.237 -24.982 26.827 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.483 -23.996 25.367 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.408 -25.413 25.312 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.333 -25.615 29.030 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.554 -24.323 29.108 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.894 -25.815 28.199 1.00 0.00 H new ATOM 640 C LEU A 41 -7.312 -22.371 22.280 1.00 0.00 C ATOM 641 CA LEU A 41 -5.840 -22.096 21.927 1.00 0.00 C ATOM 642 CB LEU A 41 -5.522 -22.635 20.498 1.00 0.00 C ATOM 643 CD1 LEU A 41 -3.993 -22.629 18.415 1.00 0.00 C ATOM 644 CD2 LEU A 41 -4.159 -20.585 19.894 1.00 0.00 C ATOM 645 CG LEU A 41 -4.196 -22.112 19.857 1.00 0.00 C ATOM 657 N LEU A 41 -4.916 -22.693 22.913 1.00 0.00 N ATOM 658 O LEU A 41 -7.604 -23.163 23.168 1.00 0.00 O ATOM 0 H LEU A 41 -4.348 -23.448 22.528 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.692 -21.016 21.949 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.479 -23.723 20.541 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.350 -22.375 19.839 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.371 -22.505 20.451 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.058 -22.236 18.016 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.956 -23.718 18.421 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.822 -22.297 17.790 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.231 -20.233 19.445 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.006 -20.187 19.336 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.214 -20.245 20.928 1.00 0.00 H new ATOM 659 C ALA A 42 -10.105 -23.347 21.254 1.00 0.00 C ATOM 660 CA ALA A 42 -9.689 -21.932 21.714 1.00 0.00 C ATOM 661 CB ALA A 42 -10.470 -20.850 20.964 1.00 0.00 C ATOM 667 N ALA A 42 -8.233 -21.721 21.547 1.00 0.00 N ATOM 668 O ALA A 42 -11.110 -23.890 21.720 1.00 0.00 O ATOM 0 H ALA A 42 -7.996 -21.039 20.827 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.929 -21.854 22.774 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.539 -21.016 21.095 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.204 -19.870 21.359 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.223 -20.892 19.903 1.00 0.00 H new ATOM 669 C ASN A 43 -8.608 -26.280 20.866 1.00 0.00 C ATOM 670 CA ASN A 43 -9.442 -25.357 19.935 1.00 0.00 C ATOM 671 CB ASN A 43 -9.032 -25.553 18.448 1.00 0.00 C ATOM 672 CG ASN A 43 -7.560 -25.254 18.164 1.00 0.00 C ATOM 679 N ASN A 43 -9.308 -23.934 20.333 1.00 0.00 N ATOM 680 ND2 ASN A 43 -6.711 -26.136 18.231 1.00 0.00 N flip ATOM 681 O ASN A 43 -8.493 -27.486 20.618 1.00 0.00 O ATOM 682 OD1 ASN A 43 -7.256 -24.010 17.830 1.00 0.00 O flip ATOM 0 H ASN A 43 -8.559 -23.441 19.847 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.490 -25.638 20.040 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.246 -26.581 18.155 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.650 -24.908 17.823 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.981 -27.085 18.492 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.735 -25.921 18.026 1.00 0.00 H new ATOM 683 C ASP A 44 -5.905 -26.889 22.542 1.00 0.00 C ATOM 684 CA ASP A 44 -7.260 -26.330 23.004 1.00 0.00 C ATOM 685 CB ASP A 44 -8.114 -27.390 23.768 1.00 0.00 C ATOM 686 CG ASP A 44 -9.200 -26.732 24.644 1.00 0.00 C ATOM 691 N ASP A 44 -8.030 -25.666 21.923 1.00 0.00 N ATOM 692 O ASP A 44 -5.324 -27.745 23.220 1.00 0.00 O ATOM 693 OD1 ASP A 44 -9.009 -26.617 25.874 1.00 0.00 O ATOM 694 OD2 ASP A 44 -10.242 -26.293 24.097 1.00 0.00 O ATOM 0 H ASP A 44 -8.088 -24.656 22.053 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.016 -25.543 23.717 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.585 -28.062 23.051 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.462 -27.998 24.395 1.00 0.00 H new ATOM 695 C ARG A 45 -2.988 -25.966 21.847 1.00 0.00 C ATOM 696 CA ARG A 45 -4.016 -26.671 20.946 1.00 0.00 C ATOM 697 CB ARG A 45 -3.807 -26.235 19.469 1.00 0.00 C ATOM 698 CD ARG A 45 -2.155 -25.870 17.523 1.00 0.00 C ATOM 699 CG ARG A 45 -2.372 -26.460 18.924 1.00 0.00 C ATOM 700 CZ ARG A 45 -0.194 -25.445 16.039 1.00 0.00 C ATOM 714 N ARG A 45 -5.384 -26.359 21.419 1.00 0.00 N ATOM 715 NE ARG A 45 -0.770 -26.075 17.065 1.00 0.00 N ATOM 716 NH1 ARG A 45 -0.844 -24.524 15.345 1.00 0.00 N ATOM 717 NH2 ARG A 45 1.048 -25.737 15.708 1.00 0.00 N ATOM 718 O ARG A 45 -2.953 -24.732 21.906 1.00 0.00 O ATOM 0 H ARG A 45 -5.891 -25.709 20.818 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.878 -27.751 20.997 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.510 -26.782 18.840 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.054 -25.177 19.378 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.655 -26.014 19.613 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.165 -27.530 18.896 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -2.846 -26.335 16.819 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.382 -24.804 17.536 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.205 -26.754 17.574 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.804 -24.283 15.591 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.385 -24.055 14.564 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.564 -26.441 16.235 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.493 -25.259 14.925 1.00 0.00 H new ATOM 719 C GLU A 46 0.133 -25.880 22.799 1.00 0.00 C ATOM 720 CA GLU A 46 -1.180 -26.261 23.497 1.00 0.00 C ATOM 721 CB GLU A 46 -0.941 -27.326 24.587 1.00 0.00 C ATOM 722 CD GLU A 46 -1.973 -28.660 26.541 1.00 0.00 C ATOM 723 CG GLU A 46 -2.213 -27.697 25.369 1.00 0.00 C ATOM 730 N GLU A 46 -2.165 -26.762 22.539 1.00 0.00 N ATOM 731 O GLU A 46 0.939 -26.750 22.441 1.00 0.00 O ATOM 732 OE1 GLU A 46 -2.689 -28.566 27.560 1.00 0.00 O ATOM 733 OE2 GLU A 46 -1.069 -29.524 26.455 1.00 0.00 O ATOM 0 H GLU A 46 -2.166 -27.778 22.448 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.569 -25.355 23.962 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.534 -28.224 24.123 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.189 -26.958 25.285 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.670 -26.784 25.751 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.929 -28.149 24.683 1.00 0.00 H new ATOM 734 C LEU A 47 2.612 -23.894 23.147 1.00 0.00 C ATOM 735 CA LEU A 47 1.556 -24.012 22.040 1.00 0.00 C ATOM 736 CB LEU A 47 1.274 -22.641 21.376 1.00 0.00 C ATOM 737 CD1 LEU A 47 0.300 -21.278 19.447 1.00 0.00 C ATOM 738 CD2 LEU A 47 1.511 -23.480 18.979 1.00 0.00 C ATOM 739 CG LEU A 47 0.611 -22.697 19.968 1.00 0.00 C ATOM 751 N LEU A 47 0.322 -24.573 22.590 1.00 0.00 N ATOM 752 O LEU A 47 2.470 -23.115 24.083 1.00 0.00 O ATOM 0 H LEU A 47 -0.386 -23.869 22.801 1.00 0.00 H new ATOM 0 HA LEU A 47 1.945 -24.678 21.270 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.630 -22.063 22.038 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.215 -22.098 21.293 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.338 -23.227 20.052 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.162 -21.345 18.462 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.383 -20.779 20.135 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.225 -20.706 19.375 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.034 -23.511 17.999 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.478 -22.984 18.897 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.655 -24.497 19.345 1.00 0.00 H new ATOM 753 C LYS A 48 5.935 -24.046 23.657 1.00 0.00 C ATOM 754 CA LYS A 48 4.701 -24.873 24.028 1.00 0.00 C ATOM 755 CB LYS A 48 5.041 -26.386 24.127 1.00 0.00 C ATOM 756 CD LYS A 48 6.526 -28.236 25.149 1.00 0.00 C ATOM 757 CE LYS A 48 7.716 -28.544 26.081 1.00 0.00 C ATOM 758 CG LYS A 48 6.197 -26.727 25.092 1.00 0.00 C ATOM 772 N LYS A 48 3.664 -24.690 23.010 1.00 0.00 N ATOM 773 NZ LYS A 48 8.093 -29.981 26.059 1.00 0.00 N ATOM 774 O LYS A 48 6.650 -24.379 22.705 1.00 0.00 O ATOM 0 H LYS A 48 3.828 -25.242 22.168 1.00 0.00 H new ATOM 0 HA LYS A 48 4.348 -24.529 25.001 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.149 -26.925 24.446 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.296 -26.753 23.133 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.089 -26.180 24.786 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.939 -26.381 26.093 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.648 -28.784 25.492 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.753 -28.594 24.145 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.574 -27.941 25.783 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.461 -28.253 27.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.280 -30.306 27.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.315 -30.538 25.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.949 -30.107 25.481 1.00 0.00 H new ATOM 775 C PHE A 49 7.832 -21.530 25.515 1.00 0.00 C ATOM 776 CA PHE A 49 7.273 -22.009 24.162 1.00 0.00 C ATOM 777 CB PHE A 49 6.801 -20.795 23.313 1.00 0.00 C ATOM 778 CD1 PHE A 49 7.146 -21.570 20.923 1.00 0.00 C ATOM 779 CD2 PHE A 49 4.919 -21.088 21.613 1.00 0.00 C ATOM 780 CE1 PHE A 49 6.689 -21.909 19.665 1.00 0.00 C ATOM 781 CE2 PHE A 49 4.465 -21.430 20.350 1.00 0.00 C ATOM 782 CG PHE A 49 6.275 -21.159 21.921 1.00 0.00 C ATOM 783 CZ PHE A 49 5.350 -21.832 19.379 1.00 0.00 C ATOM 793 N PHE A 49 6.147 -22.937 24.389 1.00 0.00 N ATOM 794 O PHE A 49 7.067 -21.079 26.364 1.00 0.00 O ATOM 0 H PHE A 49 5.539 -22.657 25.159 1.00 0.00 H new ATOM 0 HA PHE A 49 8.061 -22.528 23.617 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.017 -20.270 23.858 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.633 -20.100 23.203 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.204 -21.626 21.134 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.215 -20.764 22.365 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.386 -22.235 18.907 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.409 -21.380 20.127 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.992 -22.087 18.392 1.00 0.00 H new ATOM 795 C ARG A 50 9.755 -19.683 27.153 1.00 0.00 C ATOM 796 CA ARG A 50 9.831 -21.220 26.977 1.00 0.00 C ATOM 797 CB ARG A 50 11.321 -21.665 26.995 1.00 0.00 C ATOM 798 CD ARG A 50 13.074 -23.466 26.507 1.00 0.00 C ATOM 799 CG ARG A 50 11.574 -23.147 26.657 1.00 0.00 C ATOM 800 CZ ARG A 50 13.646 -25.064 24.661 1.00 0.00 C ATOM 814 N ARG A 50 9.169 -21.620 25.705 1.00 0.00 N ATOM 815 NE ARG A 50 13.308 -24.806 25.937 1.00 0.00 N ATOM 816 NH1 ARG A 50 13.715 -24.089 23.751 1.00 0.00 N ATOM 817 NH2 ARG A 50 13.895 -26.314 24.306 1.00 0.00 N ATOM 818 O ARG A 50 9.628 -18.964 26.156 1.00 0.00 O ATOM 0 H ARG A 50 9.814 -21.966 24.995 1.00 0.00 H new ATOM 0 HA ARG A 50 9.309 -21.712 27.797 1.00 0.00 H new ATOM 0 HB2 ARG A 50 11.875 -21.049 26.286 1.00 0.00 H new ATOM 0 HB3 ARG A 50 11.731 -21.461 27.984 1.00 0.00 H new ATOM 0 HG2 ARG A 50 11.148 -23.774 27.441 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.057 -23.399 25.731 1.00 0.00 H new ATOM 0 HD2 ARG A 50 13.540 -22.716 25.869 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.556 -23.399 27.482 1.00 0.00 H new ATOM 0 HE ARG A 50 13.205 -25.604 26.563 1.00 0.00 H new ATOM 0 HH11 ARG A 50 13.509 -23.126 24.018 1.00 0.00 H new ATOM 0 HH12 ARG A 50 13.973 -24.307 22.789 1.00 0.00 H new ATOM 0 HH21 ARG A 50 13.829 -27.063 24.996 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.153 -26.529 23.343 1.00 0.00 H new ATOM 819 C PRO A 51 10.950 -16.953 27.885 1.00 0.00 C ATOM 820 CA PRO A 51 9.851 -17.697 28.683 1.00 0.00 C ATOM 821 CB PRO A 51 10.108 -17.601 30.212 1.00 0.00 C ATOM 822 CD PRO A 51 9.903 -19.934 29.694 1.00 0.00 C ATOM 823 CG PRO A 51 9.609 -18.903 30.758 1.00 0.00 C ATOM 831 N PRO A 51 9.837 -19.160 28.421 1.00 0.00 N ATOM 832 O PRO A 51 10.679 -15.964 27.201 1.00 0.00 O ATOM 0 HA PRO A 51 8.921 -17.222 28.369 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.167 -17.459 30.428 1.00 0.00 H new ATOM 0 HB3 PRO A 51 9.577 -16.757 30.652 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.110 -19.153 31.693 1.00 0.00 H new ATOM 0 HG3 PRO A 51 8.541 -18.854 30.971 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.884 -20.387 29.836 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.173 -20.743 29.708 1.00 0.00 H new ATOM 833 C ASP A 52 13.442 -17.124 25.798 1.00 0.00 C ATOM 834 CA ASP A 52 13.360 -16.864 27.320 1.00 0.00 C ATOM 835 CB ASP A 52 14.633 -17.351 28.051 1.00 0.00 C ATOM 836 CG ASP A 52 14.803 -18.879 28.026 1.00 0.00 C ATOM 841 N ASP A 52 12.171 -17.487 27.937 1.00 0.00 N ATOM 842 O ASP A 52 14.346 -16.629 25.117 1.00 0.00 O ATOM 843 OD1 ASP A 52 14.062 -19.585 28.763 1.00 0.00 O ATOM 844 OD2 ASP A 52 15.683 -19.384 27.302 1.00 0.00 O ATOM 0 H ASP A 52 12.372 -18.369 28.409 1.00 0.00 H new ATOM 0 HA ASP A 52 13.275 -15.783 27.432 1.00 0.00 H new ATOM 0 HB2 ASP A 52 15.506 -16.888 27.592 1.00 0.00 H new ATOM 0 HB3 ASP A 52 14.600 -17.013 29.087 1.00 0.00 H new ATOM 845 C ASP A 53 11.455 -16.892 23.274 1.00 0.00 C ATOM 846 CA ASP A 53 12.297 -18.059 23.824 1.00 0.00 C ATOM 847 CB ASP A 53 11.593 -19.413 23.522 1.00 0.00 C ATOM 848 CG ASP A 53 12.411 -20.678 23.864 1.00 0.00 C ATOM 853 N ASP A 53 12.493 -17.899 25.274 1.00 0.00 N ATOM 854 O ASP A 53 11.539 -16.554 22.090 1.00 0.00 O ATOM 855 OD1 ASP A 53 13.451 -20.590 24.556 1.00 0.00 O ATOM 856 OD2 ASP A 53 12.000 -21.784 23.460 1.00 0.00 O ATOM 0 H ASP A 53 11.835 -18.436 25.839 1.00 0.00 H new ATOM 0 HA ASP A 53 13.271 -18.054 23.336 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.655 -19.447 24.077 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.338 -19.442 22.463 1.00 0.00 H new ATOM 857 C LEU A 54 10.168 -13.852 24.162 1.00 0.00 C ATOM 858 CA LEU A 54 9.661 -15.260 23.820 1.00 0.00 C ATOM 859 CB LEU A 54 8.363 -15.556 24.610 1.00 0.00 C ATOM 860 CD1 LEU A 54 6.687 -17.295 25.430 1.00 0.00 C ATOM 861 CD2 LEU A 54 7.251 -17.155 22.947 1.00 0.00 C ATOM 862 CG LEU A 54 7.772 -16.978 24.392 1.00 0.00 C ATOM 874 N LEU A 54 10.664 -16.278 24.165 1.00 0.00 N ATOM 875 O LEU A 54 10.868 -13.662 25.163 1.00 0.00 O ATOM 0 H LEU A 54 10.704 -16.479 25.164 1.00 0.00 H new ATOM 0 HA LEU A 54 9.468 -15.297 22.748 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.563 -15.421 25.673 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.610 -14.819 24.332 1.00 0.00 H new ATOM 0 HG LEU A 54 8.578 -17.698 24.535 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.294 -18.296 25.251 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.116 -17.247 26.431 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.880 -16.567 25.346 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.844 -18.159 22.827 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.470 -16.421 22.750 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.071 -17.009 22.244 1.00 0.00 H new ATOM 876 C GLN A 55 9.439 -10.894 24.800 1.00 0.00 C ATOM 877 CA GLN A 55 10.105 -11.456 23.525 1.00 0.00 C ATOM 878 CB GLN A 55 9.669 -10.645 22.275 1.00 0.00 C ATOM 879 CD GLN A 55 9.503 -8.360 21.107 1.00 0.00 C ATOM 880 CG GLN A 55 9.864 -9.119 22.384 1.00 0.00 C ATOM 889 N GLN A 55 9.785 -12.880 23.323 1.00 0.00 N ATOM 890 NE2 GLN A 55 8.353 -7.971 20.896 1.00 0.00 N flip ATOM 891 O GLN A 55 10.021 -10.035 25.471 1.00 0.00 O ATOM 892 OE1 GLN A 55 10.485 -8.131 20.251 1.00 0.00 O flip ATOM 0 H GLN A 55 9.241 -13.058 22.479 1.00 0.00 H new ATOM 0 HA GLN A 55 11.183 -11.363 23.660 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.230 -11.007 21.413 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.616 -10.848 22.079 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.254 -8.742 23.205 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.904 -8.912 22.638 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.617 -8.163 21.575 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.137 -7.457 20.042 1.00 0.00 H new ATOM 893 C ALA A 56 8.288 -11.162 27.608 1.00 0.00 C ATOM 894 CA ALA A 56 7.476 -10.947 26.332 1.00 0.00 C ATOM 895 CB ALA A 56 6.107 -11.653 26.489 1.00 0.00 C ATOM 901 N ALA A 56 8.225 -11.403 25.136 1.00 0.00 N ATOM 902 O ALA A 56 8.407 -10.274 28.459 1.00 0.00 O ATOM 0 H ALA A 56 7.748 -12.126 24.597 1.00 0.00 H new ATOM 0 HA ALA A 56 7.297 -9.883 26.179 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.605 -11.279 27.381 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.490 -11.450 25.613 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.261 -12.728 26.583 1.00 0.00 H new ATOM 903 C THR A 57 10.806 -13.341 28.929 1.00 0.00 C ATOM 904 CA THR A 57 9.332 -12.945 28.940 1.00 0.00 C ATOM 905 CB THR A 57 8.412 -14.171 29.222 1.00 0.00 C ATOM 906 CG2 THR A 57 7.046 -13.717 29.692 1.00 0.00 C ATOM 914 N THR A 57 8.892 -12.345 27.684 1.00 0.00 N ATOM 915 O THR A 57 11.219 -14.231 29.685 1.00 0.00 O ATOM 916 OG1 THR A 57 8.247 -14.959 28.033 1.00 0.00 O ATOM 0 H THR A 57 9.092 -12.920 26.866 1.00 0.00 H new ATOM 0 HA THR A 57 9.246 -12.207 29.738 1.00 0.00 H new ATOM 0 HB THR A 57 8.887 -14.769 29.999 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.126 -15.228 27.694 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.419 -14.588 29.883 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.151 -13.137 30.609 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.583 -13.099 28.923 1.00 0.00 H new ATOM 917 C TYR A 58 13.654 -12.239 29.359 1.00 0.00 C ATOM 918 CA TYR A 58 13.050 -12.834 28.072 1.00 0.00 C ATOM 919 CB TYR A 58 13.647 -12.180 26.797 1.00 0.00 C ATOM 920 CD1 TYR A 58 15.398 -13.918 26.202 1.00 0.00 C ATOM 921 CD2 TYR A 58 16.160 -11.686 26.533 1.00 0.00 C ATOM 922 CE1 TYR A 58 16.686 -14.331 25.940 1.00 0.00 C ATOM 923 CE2 TYR A 58 17.460 -12.095 26.268 1.00 0.00 C ATOM 924 CG TYR A 58 15.100 -12.594 26.509 1.00 0.00 C ATOM 925 CZ TYR A 58 17.719 -13.417 25.970 1.00 0.00 C ATOM 935 N TYR A 58 11.600 -12.646 28.106 1.00 0.00 N ATOM 936 O TYR A 58 14.004 -11.055 29.408 1.00 0.00 O ATOM 937 OH TYR A 58 19.017 -13.828 25.711 1.00 0.00 O ATOM 0 H TYR A 58 11.256 -11.944 27.451 1.00 0.00 H new ATOM 0 HA TYR A 58 13.294 -13.896 28.030 1.00 0.00 H new ATOM 0 HB2 TYR A 58 13.027 -12.444 25.940 1.00 0.00 H new ATOM 0 HB3 TYR A 58 13.602 -11.096 26.901 1.00 0.00 H new ATOM 0 HD1 TYR A 58 14.597 -14.642 26.168 1.00 0.00 H new ATOM 0 HD2 TYR A 58 15.966 -10.648 26.761 1.00 0.00 H new ATOM 0 HE1 TYR A 58 16.886 -15.367 25.712 1.00 0.00 H new ATOM 0 HE2 TYR A 58 18.268 -11.379 26.295 1.00 0.00 H new ATOM 0 HH TYR A 58 19.622 -13.059 25.772 1.00 0.00 H new ATOM 938 C GLY A 59 12.985 -12.338 32.705 1.00 0.00 C ATOM 939 CA GLY A 59 14.133 -12.636 31.743 1.00 0.00 C ATOM 943 N GLY A 59 13.687 -13.065 30.418 1.00 0.00 N ATOM 944 O GLY A 59 13.147 -11.539 33.639 1.00 0.00 O ATOM 0 H GLY A 59 13.405 -14.044 30.374 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.765 -13.412 32.174 1.00 0.00 H new ATOM 0 HA3 GLY A 59 14.750 -11.744 31.639 1.00 0.00 H new ATOM 945 C ALA A 60 10.665 -13.988 34.460 1.00 0.00 C ATOM 946 CA ALA A 60 10.657 -12.872 33.403 1.00 0.00 C ATOM 947 CB ALA A 60 9.340 -12.903 32.608 1.00 0.00 C ATOM 953 N ALA A 60 11.821 -12.986 32.494 1.00 0.00 N ATOM 954 O ALA A 60 11.012 -15.139 34.156 1.00 0.00 O ATOM 0 H ALA A 60 11.660 -13.599 31.695 1.00 0.00 H new ATOM 0 HA ALA A 60 10.733 -11.914 33.918 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.498 -12.818 33.295 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.320 -12.071 31.905 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.268 -13.843 32.060 1.00 0.00 H new ATOM 955 C THR A 61 8.838 -15.393 36.697 1.00 0.00 C ATOM 956 CA THR A 61 10.157 -14.577 36.820 1.00 0.00 C ATOM 957 CB THR A 61 10.224 -13.813 38.189 1.00 0.00 C ATOM 958 CG2 THR A 61 11.655 -13.373 38.544 1.00 0.00 C ATOM 966 N THR A 61 10.292 -13.627 35.701 1.00 0.00 N ATOM 967 O THR A 61 7.873 -14.908 36.097 1.00 0.00 O ATOM 968 OG1 THR A 61 9.371 -12.665 38.140 1.00 0.00 O ATOM 0 H THR A 61 10.075 -12.664 35.957 1.00 0.00 H new ATOM 0 HA THR A 61 10.987 -15.283 36.780 1.00 0.00 H new ATOM 0 HB THR A 61 9.890 -14.503 38.964 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.412 -12.190 38.996 1.00 0.00 H new ATOM 0 HG21 THR A 61 11.648 -12.849 39.500 1.00 0.00 H new ATOM 0 HG22 THR A 61 12.298 -14.250 38.616 1.00 0.00 H new ATOM 0 HG23 THR A 61 12.034 -12.708 37.768 1.00 0.00 H new ATOM 969 C PRO A 62 6.305 -16.970 37.829 1.00 0.00 C ATOM 970 CA PRO A 62 7.573 -17.535 37.135 1.00 0.00 C ATOM 971 CB PRO A 62 8.040 -18.865 37.785 1.00 0.00 C ATOM 972 CD PRO A 62 9.854 -17.322 38.047 1.00 0.00 C ATOM 973 CG PRO A 62 9.136 -18.463 38.725 1.00 0.00 C ATOM 981 N PRO A 62 8.772 -16.652 37.263 1.00 0.00 N ATOM 982 O PRO A 62 5.183 -17.370 37.499 1.00 0.00 O ATOM 0 HA PRO A 62 7.261 -17.642 36.096 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.223 -19.355 38.315 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.400 -19.568 37.034 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.732 -18.154 39.689 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.814 -19.295 38.915 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.305 -16.644 38.771 1.00 0.00 H new ATOM 0 HD3 PRO A 62 10.657 -17.679 37.401 1.00 0.00 H new ATOM 983 C GLU A 63 4.627 -14.410 38.482 1.00 0.00 C ATOM 984 CA GLU A 63 5.403 -15.321 39.469 1.00 0.00 C ATOM 985 CB GLU A 63 5.966 -14.476 40.647 1.00 0.00 C ATOM 986 CD GLU A 63 7.410 -12.476 41.381 1.00 0.00 C ATOM 987 CG GLU A 63 6.952 -13.369 40.223 1.00 0.00 C ATOM 994 N GLU A 63 6.503 -16.034 38.778 1.00 0.00 N ATOM 995 O GLU A 63 3.409 -14.235 38.593 1.00 0.00 O ATOM 996 OE1 GLU A 63 8.500 -12.713 41.947 1.00 0.00 O ATOM 997 OE2 GLU A 63 6.680 -11.523 41.730 1.00 0.00 O ATOM 0 H GLU A 63 7.431 -15.748 39.090 1.00 0.00 H new ATOM 0 HA GLU A 63 4.711 -16.065 39.864 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.133 -14.019 41.181 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.467 -15.142 41.349 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.826 -13.830 39.763 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.481 -12.748 39.461 1.00 0.00 H new ATOM 998 C GLN A 64 4.057 -13.753 35.396 1.00 0.00 C ATOM 999 CA GLN A 64 4.844 -12.957 36.456 1.00 0.00 C ATOM 1000 CB GLN A 64 6.024 -12.210 35.790 1.00 0.00 C ATOM 1001 CD GLN A 64 7.917 -10.488 36.049 1.00 0.00 C ATOM 1002 CG GLN A 64 6.842 -11.330 36.746 1.00 0.00 C ATOM 1011 N GLN A 64 5.373 -13.851 37.509 1.00 0.00 N ATOM 1012 NE2 GLN A 64 8.198 -9.307 36.580 1.00 0.00 N ATOM 1013 O GLN A 64 3.221 -13.208 34.667 1.00 0.00 O ATOM 1014 OE1 GLN A 64 8.476 -10.886 35.029 1.00 0.00 O ATOM 0 H GLN A 64 6.377 -14.010 37.430 1.00 0.00 H new ATOM 0 HA GLN A 64 4.160 -12.241 36.912 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.689 -12.942 35.332 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.635 -11.586 34.986 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.164 -10.665 37.282 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.319 -11.966 37.491 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.719 -9.002 37.427 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.893 -8.703 36.142 1.00 0.00 H new ATOM 1015 C LEU A 65 2.568 -16.751 35.098 1.00 0.00 C ATOM 1016 CA LEU A 65 3.743 -16.032 34.417 1.00 0.00 C ATOM 1017 CB LEU A 65 4.854 -17.025 33.999 1.00 0.00 C ATOM 1018 CD1 LEU A 65 7.241 -17.359 33.110 1.00 0.00 C ATOM 1019 CD2 LEU A 65 5.823 -15.410 32.300 1.00 0.00 C ATOM 1020 CG LEU A 65 6.147 -16.342 33.469 1.00 0.00 C ATOM 1032 N LEU A 65 4.348 -15.060 35.350 1.00 0.00 N ATOM 1033 O LEU A 65 2.194 -17.873 34.732 1.00 0.00 O ATOM 0 H LEU A 65 5.030 -15.487 35.977 1.00 0.00 H new ATOM 0 HA LEU A 65 3.344 -15.536 33.532 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.110 -17.649 34.855 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.463 -17.688 33.227 1.00 0.00 H new ATOM 0 HG LEU A 65 6.555 -15.736 34.278 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.122 -16.832 32.745 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.505 -17.937 33.995 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.873 -18.031 32.334 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.740 -14.942 31.943 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.370 -15.984 31.492 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.127 -14.639 32.631 1.00 0.00 H new ATOM 1034 C ARG A 66 -0.286 -15.332 36.342 1.00 0.00 C ATOM 1035 CA ARG A 66 0.722 -16.426 36.724 1.00 0.00 C ATOM 1036 CB ARG A 66 0.868 -16.510 38.260 1.00 0.00 C ATOM 1037 CD ARG A 66 2.010 -17.580 40.293 1.00 0.00 C ATOM 1038 CG ARG A 66 1.932 -17.511 38.753 1.00 0.00 C ATOM 1039 CZ ARG A 66 -0.155 -17.153 41.528 1.00 0.00 C ATOM 1053 N ARG A 66 2.009 -16.085 36.118 1.00 0.00 N ATOM 1054 NE ARG A 66 0.719 -17.979 40.910 1.00 0.00 N ATOM 1055 NH1 ARG A 66 0.106 -15.854 41.658 1.00 0.00 N ATOM 1056 NH2 ARG A 66 -1.295 -17.632 42.002 1.00 0.00 N ATOM 1057 O ARG A 66 -1.410 -15.624 35.906 1.00 0.00 O ATOM 0 H ARG A 66 2.453 -15.276 36.552 1.00 0.00 H new ATOM 0 HA ARG A 66 0.376 -17.395 36.364 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.116 -15.520 38.642 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -0.096 -16.785 38.688 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.704 -18.502 38.359 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.906 -17.226 38.355 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.783 -18.292 40.583 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.310 -16.607 40.682 1.00 0.00 H new ATOM 0 HE ARG A 66 0.469 -18.967 40.863 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.975 -15.469 41.289 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.563 -15.244 42.127 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.513 -18.623 41.901 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.955 -17.010 42.468 1.00 0.00 H new ATOM 1058 C GLU A 67 -0.652 -12.654 34.652 1.00 0.00 C ATOM 1059 CA GLU A 67 -0.677 -12.881 36.164 1.00 0.00 C ATOM 1060 CB GLU A 67 -0.221 -11.619 36.941 1.00 0.00 C ATOM 1061 CD GLU A 67 0.123 -10.472 39.212 1.00 0.00 C ATOM 1062 CG GLU A 67 -0.209 -11.778 38.468 1.00 0.00 C ATOM 1069 N GLU A 67 0.147 -14.054 36.496 1.00 0.00 N ATOM 1070 O GLU A 67 0.182 -11.903 34.108 1.00 0.00 O ATOM 1071 OE1 GLU A 67 1.317 -10.158 39.389 1.00 0.00 O ATOM 1072 OE2 GLU A 67 -0.814 -9.756 39.623 1.00 0.00 O ATOM 0 H GLU A 67 1.073 -13.817 36.852 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.704 -13.076 36.473 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.781 -11.347 36.609 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.879 -10.790 36.680 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.184 -12.138 38.797 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.521 -12.540 38.742 1.00 0.00 H new ATOM 1073 C ILE A 68 -3.101 -13.169 32.091 1.00 0.00 C ATOM 1074 CA ILE A 68 -1.647 -13.442 32.533 1.00 0.00 C ATOM 1075 CB ILE A 68 -1.185 -14.874 32.057 1.00 0.00 C ATOM 1076 CD1 ILE A 68 0.771 -16.570 32.110 1.00 0.00 C ATOM 1077 CG1 ILE A 68 0.331 -15.140 32.356 1.00 0.00 C ATOM 1078 CG2 ILE A 68 -1.445 -15.079 30.556 1.00 0.00 C ATOM 1090 N ILE A 68 -1.558 -13.364 33.986 1.00 0.00 N ATOM 1091 O ILE A 68 -4.051 -13.659 32.715 1.00 0.00 O ATOM 0 H ILE A 68 -2.272 -13.918 34.458 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.997 -12.693 32.081 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.780 -15.587 32.628 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.934 -14.475 31.738 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.536 -14.882 33.395 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.115 -16.075 30.262 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.511 -14.976 30.354 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.894 -14.331 29.986 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.832 -16.669 32.341 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.197 -17.242 32.748 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.601 -16.828 31.065 1.00 0.00 H new ATOM 1092 C GLU A 69 -4.366 -12.331 28.860 1.00 0.00 C ATOM 1093 CA GLU A 69 -4.544 -12.108 30.364 1.00 0.00 C ATOM 1094 CB GLU A 69 -4.969 -10.649 30.674 1.00 0.00 C ATOM 1095 CD GLU A 69 -6.794 -8.848 30.725 1.00 0.00 C ATOM 1096 CG GLU A 69 -6.388 -10.241 30.215 1.00 0.00 C ATOM 1103 N GLU A 69 -3.252 -12.382 31.023 1.00 0.00 N ATOM 1104 O GLU A 69 -3.240 -12.389 28.391 1.00 0.00 O ATOM 1105 OE1 GLU A 69 -7.088 -8.714 31.938 1.00 0.00 O ATOM 1106 OE2 GLU A 69 -6.818 -7.880 29.935 1.00 0.00 O ATOM 0 H GLU A 69 -2.468 -11.905 30.579 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.326 -12.772 30.731 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.899 -10.493 31.750 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.250 -9.976 30.206 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.431 -10.253 29.126 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.108 -10.979 30.571 1.00 0.00 H new ATOM 1107 C ILE A 70 -5.178 -11.185 26.023 1.00 0.00 C ATOM 1108 CA ILE A 70 -5.396 -12.596 26.635 1.00 0.00 C ATOM 1109 CB ILE A 70 -6.691 -13.305 26.072 1.00 0.00 C ATOM 1110 CD1 ILE A 70 -5.715 -15.640 26.698 1.00 0.00 C ATOM 1111 CG1 ILE A 70 -6.900 -14.691 26.775 1.00 0.00 C ATOM 1112 CG2 ILE A 70 -6.665 -13.461 24.523 1.00 0.00 C ATOM 1124 N ILE A 70 -5.460 -12.487 28.108 1.00 0.00 N ATOM 1125 O ILE A 70 -5.554 -10.179 26.645 1.00 0.00 O ATOM 0 H ILE A 70 -6.404 -12.541 28.489 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.550 -13.220 26.347 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.539 -12.659 26.301 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.138 -14.516 27.824 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.766 -15.180 26.329 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.579 -13.954 24.192 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.595 -12.477 24.059 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.803 -14.061 24.232 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.959 -16.569 27.213 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -5.487 -15.853 25.654 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.848 -15.179 27.172 1.00 0.00 H new ATOM 1126 C SER A 71 -5.241 -8.834 24.002 1.00 0.00 C ATOM 1127 CA SER A 71 -4.100 -9.868 24.178 1.00 0.00 C ATOM 1128 CB SER A 71 -3.486 -10.190 22.798 1.00 0.00 C ATOM 1134 N SER A 71 -4.542 -11.129 24.828 1.00 0.00 N ATOM 1135 O SER A 71 -6.417 -9.214 23.966 1.00 0.00 O ATOM 1136 OG SER A 71 -4.423 -10.832 21.947 1.00 0.00 O ATOM 0 H SER A 71 -4.319 -11.962 24.283 1.00 0.00 H new ATOM 0 HA SER A 71 -3.361 -9.415 24.839 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.139 -9.269 22.329 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.613 -10.830 22.928 1.00 0.00 H new ATOM 0 HG SER A 71 -4.228 -10.604 21.014 1.00 0.00 H new ATOM 1137 C PRO A 72 -6.597 -6.651 22.187 1.00 0.00 C ATOM 1138 CA PRO A 72 -5.922 -6.451 23.573 1.00 0.00 C ATOM 1139 CB PRO A 72 -5.093 -5.137 23.635 1.00 0.00 C ATOM 1140 CD PRO A 72 -3.555 -6.901 24.055 1.00 0.00 C ATOM 1141 CG PRO A 72 -3.685 -5.566 23.367 1.00 0.00 C ATOM 1149 N PRO A 72 -4.912 -7.501 23.876 1.00 0.00 N ATOM 1150 O PRO A 72 -7.643 -6.058 21.908 1.00 0.00 O ATOM 0 HA PRO A 72 -6.759 -6.463 24.271 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.436 -4.417 22.892 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.183 -4.657 24.610 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.494 -5.651 22.297 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.969 -4.845 23.762 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.778 -7.516 23.601 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.298 -6.790 25.108 1.00 0.00 H new ATOM 1151 C SER A 73 -7.457 -9.170 20.245 1.00 0.00 C ATOM 1152 CA SER A 73 -6.571 -7.918 20.048 1.00 0.00 C ATOM 1153 CB SER A 73 -5.461 -8.213 19.017 1.00 0.00 C ATOM 1159 N SER A 73 -5.974 -7.481 21.328 1.00 0.00 N ATOM 1160 O SER A 73 -8.394 -9.387 19.487 1.00 0.00 O ATOM 1161 OG SER A 73 -4.630 -7.077 18.816 1.00 0.00 O ATOM 0 H SER A 73 -5.046 -7.867 21.500 1.00 0.00 H new ATOM 0 HA SER A 73 -7.201 -7.110 19.676 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.857 -9.053 19.360 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.911 -8.510 18.070 1.00 0.00 H new ATOM 0 HG SER A 73 -3.743 -7.369 18.520 1.00 0.00 H new ATOM 1162 C GLY A 74 -7.230 -12.456 20.860 1.00 0.00 C ATOM 1163 CA GLY A 74 -7.859 -11.244 21.546 1.00 0.00 C ATOM 1167 N GLY A 74 -7.136 -9.987 21.270 1.00 0.00 N ATOM 1168 O GLY A 74 -7.679 -13.590 21.051 1.00 0.00 O ATOM 0 H GLY A 74 -6.376 -9.796 21.923 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.883 -11.414 22.622 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.893 -11.142 21.216 1.00 0.00 H new ATOM 1169 C LEU A 75 -4.407 -13.891 20.361 1.00 0.00 C ATOM 1170 CA LEU A 75 -5.396 -13.248 19.388 1.00 0.00 C ATOM 1171 CB LEU A 75 -4.652 -12.665 18.153 1.00 0.00 C ATOM 1172 CD1 LEU A 75 -4.754 -11.778 15.766 1.00 0.00 C ATOM 1173 CD2 LEU A 75 -5.913 -13.963 16.377 1.00 0.00 C ATOM 1174 CG LEU A 75 -5.504 -12.554 16.863 1.00 0.00 C ATOM 1186 N LEU A 75 -6.173 -12.204 20.071 1.00 0.00 N ATOM 1187 O LEU A 75 -4.616 -15.010 20.801 1.00 0.00 O ATOM 0 H LEU A 75 -5.832 -11.260 19.888 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.084 -14.015 19.034 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.278 -11.674 18.409 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.784 -13.290 17.943 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.410 -11.992 17.092 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.377 -11.717 14.873 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.528 -10.772 16.121 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.825 -12.295 15.525 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.511 -13.876 15.470 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.018 -14.549 16.166 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.498 -14.459 17.151 1.00 0.00 H new ATOM 1188 C GLY A 76 -2.505 -13.518 22.985 1.00 0.00 C ATOM 1189 CA GLY A 76 -2.247 -13.684 21.516 1.00 0.00 C ATOM 1193 N GLY A 76 -3.325 -13.157 20.687 1.00 0.00 N ATOM 1194 O GLY A 76 -3.620 -13.757 23.461 1.00 0.00 O ATOM 0 H GLY A 76 -3.183 -12.194 20.382 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.109 -14.742 21.294 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.316 -13.180 21.257 1.00 0.00 H new ATOM 1195 C VAL A 77 -1.064 -11.491 25.521 1.00 0.00 C ATOM 1196 CA VAL A 77 -1.536 -12.904 25.146 1.00 0.00 C ATOM 1197 CB VAL A 77 -0.645 -14.000 25.851 1.00 0.00 C ATOM 1198 CG1 VAL A 77 0.817 -13.561 25.992 1.00 0.00 C ATOM 1199 CG2 VAL A 77 -1.247 -14.413 27.193 1.00 0.00 C ATOM 1209 N VAL A 77 -1.485 -13.064 23.702 1.00 0.00 N ATOM 1210 O VAL A 77 -0.489 -10.790 24.695 1.00 0.00 O ATOM 0 H VAL A 77 -0.591 -12.794 23.292 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.562 -13.035 25.489 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.639 -14.877 25.204 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.388 -14.349 26.483 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.237 -13.370 25.004 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.868 -12.651 26.589 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.614 -15.169 27.658 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.312 -13.543 27.846 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.244 -14.823 27.034 1.00 0.00 H new ATOM 1211 C TYR A 78 -0.575 -10.146 28.856 1.00 0.00 C ATOM 1212 CA TYR A 78 -0.851 -9.861 27.372 1.00 0.00 C ATOM 1213 CB TYR A 78 -1.911 -8.733 27.196 1.00 0.00 C ATOM 1214 CD1 TYR A 78 -1.841 -6.926 29.010 1.00 0.00 C ATOM 1215 CD2 TYR A 78 -0.685 -6.503 26.960 1.00 0.00 C ATOM 1216 CE1 TYR A 78 -1.444 -5.696 29.494 1.00 0.00 C ATOM 1217 CE2 TYR A 78 -0.287 -5.268 27.444 1.00 0.00 C ATOM 1218 CG TYR A 78 -1.471 -7.361 27.731 1.00 0.00 C ATOM 1219 CZ TYR A 78 -0.669 -4.870 28.707 1.00 0.00 C ATOM 1229 N TYR A 78 -1.311 -11.111 26.772 1.00 0.00 N ATOM 1230 O TYR A 78 -1.510 -10.262 29.654 1.00 0.00 O ATOM 1231 OH TYR A 78 -0.273 -3.637 29.186 1.00 0.00 O ATOM 0 H TYR A 78 -1.855 -11.684 27.418 1.00 0.00 H new ATOM 0 HA TYR A 78 0.056 -9.508 26.880 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.150 -8.637 26.137 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.828 -9.031 27.704 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.450 -7.567 29.631 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.382 -6.807 25.969 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -1.739 -5.382 30.484 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.322 -4.618 26.833 1.00 0.00 H new ATOM 0 HH TYR A 78 0.268 -3.181 28.508 1.00 0.00 H new ATOM 1232 C PHE A 79 1.136 -9.309 31.408 1.00 0.00 C ATOM 1233 CA PHE A 79 1.112 -10.613 30.587 1.00 0.00 C ATOM 1234 CB PHE A 79 2.496 -11.297 30.598 1.00 0.00 C ATOM 1235 CD1 PHE A 79 1.509 -13.426 29.659 1.00 0.00 C ATOM 1236 CD2 PHE A 79 3.780 -13.119 29.429 1.00 0.00 C ATOM 1237 CE1 PHE A 79 1.618 -14.654 29.040 1.00 0.00 C ATOM 1238 CE2 PHE A 79 3.877 -14.346 28.800 1.00 0.00 C ATOM 1239 CG PHE A 79 2.589 -12.638 29.864 1.00 0.00 C ATOM 1240 CZ PHE A 79 2.800 -15.109 28.615 1.00 0.00 C ATOM 1250 N PHE A 79 0.704 -10.320 29.207 1.00 0.00 N ATOM 1251 O PHE A 79 1.850 -8.372 31.048 1.00 0.00 O ATOM 0 H PHE A 79 1.481 -10.262 28.549 1.00 0.00 H new ATOM 0 HA PHE A 79 0.393 -11.296 31.040 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.221 -10.613 30.156 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.794 -11.452 31.635 1.00 0.00 H new ATOM 0 HD1 PHE A 79 0.538 -13.086 29.988 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.673 -12.530 29.577 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.734 -15.257 28.897 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.840 -14.692 28.453 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.881 -16.072 28.133 1.00 0.00 H new ATOM 1252 C GLU A 80 1.282 -7.502 34.044 1.00 0.00 C ATOM 1253 CA GLU A 80 0.064 -8.056 33.275 1.00 0.00 C ATOM 1254 CB GLU A 80 -1.097 -8.314 34.271 1.00 0.00 C ATOM 1255 CD GLU A 80 -2.659 -7.351 36.082 1.00 0.00 C ATOM 1256 CG GLU A 80 -1.550 -7.065 35.061 1.00 0.00 C ATOM 1263 N GLU A 80 0.387 -9.294 32.526 1.00 0.00 N ATOM 1264 O GLU A 80 1.560 -6.297 33.985 1.00 0.00 O ATOM 1265 OE1 GLU A 80 -3.857 -7.269 35.722 1.00 0.00 O ATOM 1266 OE2 GLU A 80 -2.345 -7.659 37.252 1.00 0.00 O ATOM 0 H GLU A 80 -0.013 -10.137 32.939 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.236 -7.311 32.538 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.950 -8.710 33.721 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.789 -9.084 34.978 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.690 -6.643 35.581 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.901 -6.309 34.359 1.00 0.00 H new ATOM 1267 C THR A 81 4.264 -7.293 34.962 1.00 0.00 C ATOM 1268 CA THR A 81 3.094 -8.007 35.688 1.00 0.00 C ATOM 1269 CB THR A 81 3.642 -9.269 36.434 1.00 0.00 C ATOM 1270 CG2 THR A 81 4.287 -8.925 37.790 1.00 0.00 C ATOM 1278 N THR A 81 2.004 -8.393 34.753 1.00 0.00 N ATOM 1279 O THR A 81 5.042 -6.549 35.572 1.00 0.00 O ATOM 1280 OG1 THR A 81 2.585 -10.197 36.651 1.00 0.00 O ATOM 0 H THR A 81 1.853 -9.400 34.698 1.00 0.00 H new ATOM 0 HA THR A 81 2.665 -7.307 36.405 1.00 0.00 H new ATOM 0 HB THR A 81 4.414 -9.701 35.797 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.248 -10.101 37.566 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.649 -9.838 38.263 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.122 -8.242 37.633 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.547 -8.451 38.435 1.00 0.00 H new ATOM 1281 C LEU A 82 4.808 -6.090 31.697 1.00 0.00 C ATOM 1282 CA LEU A 82 5.416 -7.023 32.765 1.00 0.00 C ATOM 1283 CB LEU A 82 6.245 -8.199 32.104 1.00 0.00 C ATOM 1284 CD1 LEU A 82 6.248 -10.388 30.719 1.00 0.00 C ATOM 1285 CD2 LEU A 82 5.090 -10.381 32.928 1.00 0.00 C ATOM 1286 CG LEU A 82 5.461 -9.514 31.709 1.00 0.00 C ATOM 1298 N LEU A 82 4.362 -7.552 33.650 1.00 0.00 N ATOM 1299 O LEU A 82 5.545 -5.369 31.015 1.00 0.00 O ATOM 0 H LEU A 82 3.696 -8.149 33.161 1.00 0.00 H new ATOM 0 HA LEU A 82 6.108 -6.435 33.368 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.723 -7.810 31.205 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.042 -8.477 32.793 1.00 0.00 H new ATOM 0 HG LEU A 82 4.546 -9.157 31.236 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.667 -11.279 30.479 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.439 -9.823 29.807 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.196 -10.683 31.168 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.554 -11.269 32.593 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.998 -10.681 33.451 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.455 -9.807 33.603 1.00 0.00 H new ATOM 1300 C GLU A 83 3.170 -5.693 29.108 1.00 0.00 C ATOM 1301 CA GLU A 83 2.698 -5.356 30.536 1.00 0.00 C ATOM 1302 CB GLU A 83 2.758 -3.819 30.791 1.00 0.00 C ATOM 1303 CD GLU A 83 1.970 -1.811 32.178 1.00 0.00 C ATOM 1304 CG GLU A 83 1.937 -3.340 31.998 1.00 0.00 C ATOM 1311 N GLU A 83 3.458 -6.115 31.569 1.00 0.00 N ATOM 1312 O GLU A 83 3.001 -4.893 28.185 1.00 0.00 O ATOM 1313 OE1 GLU A 83 2.683 -1.315 33.074 1.00 0.00 O ATOM 1314 OE2 GLU A 83 1.295 -1.095 31.404 1.00 0.00 O ATOM 0 H GLU A 83 2.858 -6.666 32.183 1.00 0.00 H new ATOM 0 HA GLU A 83 1.658 -5.670 30.621 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.798 -3.528 30.937 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.405 -3.302 29.899 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.903 -3.664 31.879 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.318 -3.815 32.902 1.00 0.00 H new ATOM 1315 C GLU A 84 3.610 -8.499 27.059 1.00 0.00 C ATOM 1316 CA GLU A 84 4.366 -7.308 27.671 1.00 0.00 C ATOM 1317 CB GLU A 84 5.862 -7.642 27.948 1.00 0.00 C ATOM 1318 CD GLU A 84 6.907 -6.127 26.130 1.00 0.00 C ATOM 1319 CG GLU A 84 6.797 -7.540 26.725 1.00 0.00 C ATOM 1326 N GLU A 84 3.705 -6.905 28.926 1.00 0.00 N ATOM 1327 O GLU A 84 3.258 -9.451 27.769 1.00 0.00 O ATOM 1328 OE1 GLU A 84 6.222 -5.825 25.128 1.00 0.00 O ATOM 1329 OE2 GLU A 84 7.677 -5.302 26.670 1.00 0.00 O ATOM 0 H GLU A 84 3.695 -7.635 29.639 1.00 0.00 H new ATOM 0 HA GLU A 84 4.343 -6.491 26.950 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.230 -6.970 28.723 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.923 -8.654 28.348 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.792 -7.879 27.014 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.440 -8.221 25.952 1.00 0.00 H new ATOM 1330 C ASP A 85 3.297 -10.438 24.280 1.00 0.00 C ATOM 1331 CA ASP A 85 2.480 -9.369 25.033 1.00 0.00 C ATOM 1332 CB ASP A 85 1.569 -8.584 24.039 1.00 0.00 C ATOM 1333 CG ASP A 85 2.321 -8.068 22.798 1.00 0.00 C ATOM 1338 N ASP A 85 3.364 -8.429 25.745 1.00 0.00 N ATOM 1339 O ASP A 85 4.493 -10.252 24.016 1.00 0.00 O ATOM 1340 OD1 ASP A 85 3.011 -7.029 22.902 1.00 0.00 O ATOM 1341 OD2 ASP A 85 2.225 -8.699 21.711 1.00 0.00 O ATOM 0 H ASP A 85 3.773 -7.717 25.140 1.00 0.00 H new ATOM 0 HA ASP A 85 1.857 -9.880 25.767 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.753 -9.231 23.717 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.119 -7.739 24.560 1.00 0.00 H new ATOM 1342 C VAL A 86 2.131 -12.729 21.872 1.00 0.00 C ATOM 1343 CA VAL A 86 3.149 -12.586 23.017 1.00 0.00 C ATOM 1344 CB VAL A 86 3.385 -14.005 23.684 1.00 0.00 C ATOM 1345 CG1 VAL A 86 4.001 -14.994 22.678 1.00 0.00 C ATOM 1346 CG2 VAL A 86 4.260 -13.926 24.942 1.00 0.00 C ATOM 1356 N VAL A 86 2.629 -11.557 23.948 1.00 0.00 N ATOM 1357 O VAL A 86 1.000 -13.179 22.096 1.00 0.00 O ATOM 0 H VAL A 86 1.705 -11.779 24.319 1.00 0.00 H new ATOM 0 HA VAL A 86 4.128 -12.253 22.672 1.00 0.00 H new ATOM 0 HB VAL A 86 2.403 -14.368 23.988 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.152 -15.959 23.162 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.328 -15.115 21.829 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.959 -14.609 22.330 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.390 -14.925 25.358 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.234 -13.512 24.682 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.779 -13.285 25.680 1.00 0.00 H new ATOM 1358 C SER A 87 1.430 -13.800 19.001 1.00 0.00 C ATOM 1359 CA SER A 87 1.669 -12.342 19.462 1.00 0.00 C ATOM 1360 CB SER A 87 2.315 -11.500 18.340 1.00 0.00 C ATOM 1366 N SER A 87 2.530 -12.305 20.658 1.00 0.00 N ATOM 1367 O SER A 87 2.383 -14.520 18.686 1.00 0.00 O ATOM 1368 OG SER A 87 2.529 -10.158 18.770 1.00 0.00 O ATOM 0 H SER A 87 3.460 -11.927 20.479 1.00 0.00 H new ATOM 0 HA SER A 87 0.696 -11.915 19.706 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.264 -11.947 18.045 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.672 -11.506 17.460 1.00 0.00 H new ATOM 0 HG SER A 87 2.940 -9.644 18.044 1.00 0.00 H new ATOM 1369 C LEU A 88 0.154 -16.009 17.223 1.00 0.00 C ATOM 1370 CA LEU A 88 -0.266 -15.603 18.633 1.00 0.00 C ATOM 1371 CB LEU A 88 -1.801 -15.772 18.728 1.00 0.00 C ATOM 1372 CD1 LEU A 88 -1.801 -18.010 19.911 1.00 0.00 C ATOM 1373 CD2 LEU A 88 -3.866 -17.279 18.564 1.00 0.00 C ATOM 1374 CG LEU A 88 -2.319 -17.234 18.683 1.00 0.00 C ATOM 1386 N LEU A 88 0.140 -14.214 18.965 1.00 0.00 N ATOM 1387 O LEU A 88 0.700 -17.092 17.017 1.00 0.00 O ATOM 0 H LEU A 88 -0.647 -13.597 19.165 1.00 0.00 H new ATOM 0 HA LEU A 88 0.238 -16.240 19.359 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.142 -15.313 19.656 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.261 -15.217 17.910 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.929 -17.723 17.790 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.168 -19.036 19.874 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.711 -18.014 19.906 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.158 -17.530 20.822 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.199 -18.317 18.535 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.312 -16.779 19.424 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.175 -16.773 17.650 1.00 0.00 H new ATOM 1388 C ILE A 89 1.648 -15.539 14.634 1.00 0.00 C ATOM 1389 CA ILE A 89 0.140 -15.359 14.841 1.00 0.00 C ATOM 1390 CB ILE A 89 -0.419 -14.193 13.942 1.00 0.00 C ATOM 1391 CD1 ILE A 89 -2.853 -15.135 14.012 1.00 0.00 C ATOM 1392 CG1 ILE A 89 -1.933 -13.946 14.256 1.00 0.00 C ATOM 1393 CG2 ILE A 89 -0.192 -14.472 12.430 1.00 0.00 C ATOM 1405 N ILE A 89 -0.138 -15.122 16.261 1.00 0.00 N ATOM 1406 O ILE A 89 2.062 -16.412 13.886 1.00 0.00 O ATOM 0 H ILE A 89 -0.574 -14.219 16.448 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.371 -16.272 14.535 1.00 0.00 H new ATOM 0 HB ILE A 89 0.136 -13.286 14.182 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.026 -13.645 15.299 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.280 -13.109 13.650 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.591 -13.645 11.843 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.876 -14.573 12.235 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.701 -15.394 12.150 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.878 -14.859 14.260 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.799 -15.427 12.963 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.541 -15.971 14.638 1.00 0.00 H new ATOM 1407 C GLY A 90 4.342 -16.316 15.851 1.00 0.00 C ATOM 1408 CA GLY A 90 3.900 -14.916 15.418 1.00 0.00 C ATOM 1412 N GLY A 90 2.445 -14.764 15.395 1.00 0.00 N ATOM 1413 O GLY A 90 5.233 -16.899 15.239 1.00 0.00 O ATOM 0 H GLY A 90 2.096 -14.024 16.003 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.299 -14.704 14.426 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.327 -14.178 16.097 1.00 0.00 H new ATOM 1414 C LEU A 91 3.608 -19.298 16.285 1.00 0.00 C ATOM 1415 CA LEU A 91 3.924 -18.248 17.371 1.00 0.00 C ATOM 1416 CB LEU A 91 3.079 -18.537 18.637 1.00 0.00 C ATOM 1417 CD1 LEU A 91 2.431 -17.991 21.040 1.00 0.00 C ATOM 1418 CD2 LEU A 91 4.841 -17.616 20.244 1.00 0.00 C ATOM 1419 CG LEU A 91 3.343 -17.610 19.856 1.00 0.00 C ATOM 1431 N LEU A 91 3.659 -16.879 16.873 1.00 0.00 N ATOM 1432 O LEU A 91 4.341 -20.282 16.117 1.00 0.00 O ATOM 0 H LEU A 91 2.911 -16.399 17.374 1.00 0.00 H new ATOM 0 HA LEU A 91 4.982 -18.314 17.625 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.025 -18.463 18.371 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.259 -19.567 18.943 1.00 0.00 H new ATOM 0 HG LEU A 91 3.093 -16.587 19.574 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.633 -17.329 21.882 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.387 -17.891 20.742 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.628 -19.022 21.334 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.998 -16.959 21.100 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.145 -18.630 20.504 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.436 -17.263 19.402 1.00 0.00 H new ATOM 1433 C LEU A 92 3.021 -19.776 13.205 1.00 0.00 C ATOM 1434 CA LEU A 92 2.065 -19.891 14.420 1.00 0.00 C ATOM 1435 CB LEU A 92 0.608 -19.505 14.044 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -1.801 -19.020 14.808 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -0.583 -21.099 15.669 1.00 0.00 C ATOM 1438 CG LEU A 92 -0.440 -19.632 15.201 1.00 0.00 C ATOM 1450 N LEU A 92 2.521 -19.039 15.536 1.00 0.00 N ATOM 1451 O LEU A 92 3.178 -20.730 12.436 1.00 0.00 O ATOM 0 H LEU A 92 1.927 -18.224 15.689 1.00 0.00 H new ATOM 0 HA LEU A 92 2.079 -20.935 14.733 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.604 -18.476 13.684 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.286 -20.134 13.214 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.066 -19.055 16.047 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.501 -19.128 15.636 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.671 -17.963 14.577 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.193 -19.537 13.932 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.317 -21.155 16.473 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.912 -21.717 14.834 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.379 -21.461 16.031 1.00 0.00 H new ATOM 1452 C GLU A 93 6.063 -19.019 12.516 1.00 0.00 C ATOM 1453 CA GLU A 93 4.734 -18.376 12.054 1.00 0.00 C ATOM 1454 CB GLU A 93 4.941 -16.844 11.824 1.00 0.00 C ATOM 1455 CD GLU A 93 3.255 -16.494 9.902 1.00 0.00 C ATOM 1456 CG GLU A 93 3.702 -16.078 11.311 1.00 0.00 C ATOM 1463 N GLU A 93 3.673 -18.605 13.062 1.00 0.00 N ATOM 1464 O GLU A 93 6.934 -19.335 11.692 1.00 0.00 O ATOM 1465 OE1 GLU A 93 3.704 -15.868 8.919 1.00 0.00 O ATOM 1466 OE2 GLU A 93 2.453 -17.449 9.763 1.00 0.00 O ATOM 0 H GLU A 93 3.480 -17.788 13.642 1.00 0.00 H new ATOM 0 HA GLU A 93 4.424 -18.838 11.117 1.00 0.00 H new ATOM 0 HB2 GLU A 93 5.263 -16.393 12.763 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.753 -16.707 11.110 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.876 -16.235 12.005 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.921 -15.010 11.312 1.00 0.00 H new ATOM 1467 C GLY A 94 8.292 -18.567 15.044 1.00 0.00 C ATOM 1468 CA GLY A 94 7.426 -19.699 14.481 1.00 0.00 C ATOM 1472 N GLY A 94 6.190 -19.205 13.849 1.00 0.00 N ATOM 1473 O GLY A 94 9.305 -18.817 15.706 1.00 0.00 O ATOM 0 H GLY A 94 5.438 -19.016 14.512 1.00 0.00 H new ATOM 0 HA2 GLY A 94 7.168 -20.389 15.285 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.003 -20.264 13.749 1.00 0.00 H new ATOM 1474 C ARG A 95 8.111 -15.800 16.663 1.00 0.00 C ATOM 1475 CA ARG A 95 8.557 -16.101 15.212 1.00 0.00 C ATOM 1476 CB ARG A 95 8.211 -14.927 14.246 1.00 0.00 C ATOM 1477 CD ARG A 95 8.658 -12.502 13.520 1.00 0.00 C ATOM 1478 CG ARG A 95 9.080 -13.670 14.427 1.00 0.00 C ATOM 1479 CZ ARG A 95 8.182 -12.107 11.092 1.00 0.00 C ATOM 1493 N ARG A 95 7.886 -17.318 14.751 1.00 0.00 N ATOM 1494 NE ARG A 95 8.650 -12.874 12.094 1.00 0.00 N ATOM 1495 NH1 ARG A 95 7.750 -10.867 11.317 1.00 0.00 N ATOM 1496 NH2 ARG A 95 8.159 -12.595 9.863 1.00 0.00 N ATOM 1497 O ARG A 95 7.120 -15.098 16.895 1.00 0.00 O ATOM 0 H ARG A 95 7.065 -17.129 14.175 1.00 0.00 H new ATOM 0 HA ARG A 95 9.639 -16.231 15.208 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.312 -15.277 13.219 1.00 0.00 H new ATOM 0 HB3 ARG A 95 7.166 -14.653 14.388 1.00 0.00 H new ATOM 0 HG2 ARG A 95 9.030 -13.349 15.468 1.00 0.00 H new ATOM 0 HG3 ARG A 95 10.120 -13.923 14.221 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.664 -12.161 13.810 1.00 0.00 H new ATOM 0 HD3 ARG A 95 9.339 -11.664 13.671 1.00 0.00 H new ATOM 0 HE ARG A 95 9.030 -13.787 11.846 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.770 -10.483 12.262 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.399 -10.301 10.544 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.493 -13.542 9.684 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.807 -12.025 9.094 1.00 0.00 H new ATOM 1498 C ARG A 96 8.717 -14.898 19.643 1.00 0.00 C ATOM 1499 CA ARG A 96 8.513 -16.316 19.072 1.00 0.00 C ATOM 1500 CB ARG A 96 9.384 -17.342 19.828 1.00 0.00 C ATOM 1501 CD ARG A 96 10.009 -19.807 20.136 1.00 0.00 C ATOM 1502 CG ARG A 96 9.040 -18.804 19.496 1.00 0.00 C ATOM 1503 CZ ARG A 96 12.241 -20.785 19.613 1.00 0.00 C ATOM 1517 N ARG A 96 8.829 -16.397 17.626 1.00 0.00 N ATOM 1518 NE ARG A 96 11.326 -19.816 19.476 1.00 0.00 N ATOM 1519 NH1 ARG A 96 12.077 -21.748 20.505 1.00 0.00 N ATOM 1520 NH2 ARG A 96 13.332 -20.767 18.865 1.00 0.00 N ATOM 1521 O ARG A 96 8.074 -14.503 20.630 1.00 0.00 O ATOM 0 H ARG A 96 9.657 -16.958 17.427 1.00 0.00 H new ATOM 0 HA ARG A 96 7.457 -16.548 19.206 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.432 -17.161 19.591 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.268 -17.185 20.900 1.00 0.00 H new ATOM 0 HG2 ARG A 96 8.027 -19.019 19.835 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.050 -18.937 18.414 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.136 -19.563 21.191 1.00 0.00 H new ATOM 0 HD3 ARG A 96 9.576 -20.806 20.090 1.00 0.00 H new ATOM 0 HE ARG A 96 11.558 -19.028 18.871 1.00 0.00 H new ATOM 0 HH11 ARG A 96 11.247 -21.758 21.098 1.00 0.00 H new ATOM 0 HH12 ARG A 96 12.781 -22.480 20.600 1.00 0.00 H new ATOM 0 HH21 ARG A 96 13.474 -20.018 18.188 1.00 0.00 H new ATOM 0 HH22 ARG A 96 14.032 -21.502 18.966 1.00 0.00 H new ATOM 1522 C GLY A 97 10.158 -12.084 17.917 1.00 0.00 C ATOM 1523 CA GLY A 97 9.840 -12.744 19.239 1.00 0.00 C ATOM 1527 N GLY A 97 9.652 -14.177 19.035 1.00 0.00 N ATOM 1528 O GLY A 97 10.536 -12.790 16.977 1.00 0.00 O ATOM 0 H GLY A 97 10.315 -14.580 18.373 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.939 -12.306 19.669 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.649 -12.570 19.948 1.00 0.00 H new ATOM 1529 C SER A 98 11.598 -10.350 15.950 1.00 0.00 C ATOM 1530 CA SER A 98 10.252 -9.967 16.593 1.00 0.00 C ATOM 1531 CB SER A 98 10.197 -8.446 16.885 1.00 0.00 C ATOM 1537 N SER A 98 10.006 -10.743 17.838 1.00 0.00 N ATOM 1538 O SER A 98 12.572 -10.552 16.668 1.00 0.00 O ATOM 1539 OG SER A 98 10.493 -7.675 15.728 1.00 0.00 O ATOM 0 H SER A 98 9.712 -10.168 18.627 1.00 0.00 H new ATOM 0 HA SER A 98 9.464 -10.214 15.881 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.206 -8.182 17.254 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.906 -8.202 17.676 1.00 0.00 H new ATOM 0 HG SER A 98 10.447 -6.722 15.950 1.00 0.00 H new ATOM 1540 C ALA A 99 14.087 -10.194 14.191 1.00 0.00 C ATOM 1541 CA ALA A 99 12.791 -10.949 13.828 1.00 0.00 C ATOM 1542 CB ALA A 99 12.498 -10.841 12.324 1.00 0.00 C ATOM 1548 N ALA A 99 11.623 -10.457 14.602 1.00 0.00 N ATOM 1549 O ALA A 99 15.175 -10.790 14.257 1.00 0.00 O ATOM 0 H ALA A 99 10.829 -10.203 14.014 1.00 0.00 H new ATOM 0 HA ALA A 99 12.952 -11.995 14.089 1.00 0.00 H new ATOM 0 HB1 ALA A 99 13.357 -11.203 11.759 1.00 0.00 H new ATOM 0 HB2 ALA A 99 11.623 -11.443 12.080 1.00 0.00 H new ATOM 0 HB3 ALA A 99 12.306 -9.800 12.065 1.00 0.00 H new ATOM 1550 C LYS A 100 15.555 -8.520 16.297 1.00 0.00 C ATOM 1551 CA LYS A 100 15.037 -8.028 14.929 1.00 0.00 C ATOM 1552 CB LYS A 100 14.575 -6.557 15.021 1.00 0.00 C ATOM 1553 CD LYS A 100 15.163 -4.122 15.582 1.00 0.00 C ATOM 1554 CE LYS A 100 16.258 -3.153 16.052 1.00 0.00 C ATOM 1555 CG LYS A 100 15.680 -5.565 15.436 1.00 0.00 C ATOM 1569 N LYS A 100 13.937 -8.884 14.466 1.00 0.00 N ATOM 1570 NZ LYS A 100 15.752 -1.763 16.144 1.00 0.00 N ATOM 1571 O LYS A 100 16.729 -8.853 16.427 1.00 0.00 O ATOM 0 H LYS A 100 13.048 -8.393 14.372 1.00 0.00 H new ATOM 0 HA LYS A 100 15.852 -8.086 14.207 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.176 -6.253 14.053 1.00 0.00 H new ATOM 0 HB3 LYS A 100 13.757 -6.491 15.738 1.00 0.00 H new ATOM 0 HG2 LYS A 100 16.115 -5.888 16.382 1.00 0.00 H new ATOM 0 HG3 LYS A 100 16.478 -5.587 14.694 1.00 0.00 H new ATOM 0 HD2 LYS A 100 14.767 -3.782 14.625 1.00 0.00 H new ATOM 0 HD3 LYS A 100 14.337 -4.105 16.293 1.00 0.00 H new ATOM 0 HE2 LYS A 100 16.632 -3.470 17.025 1.00 0.00 H new ATOM 0 HE3 LYS A 100 17.099 -3.190 15.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 16.517 -1.136 16.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 15.418 -1.453 15.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 14.965 -1.724 16.823 1.00 0.00 H new ATOM 1572 C TRP A 101 15.600 -10.510 18.605 1.00 0.00 C ATOM 1573 CA TRP A 101 14.944 -9.113 18.654 1.00 0.00 C ATOM 1574 CB TRP A 101 13.637 -9.176 19.508 1.00 0.00 C ATOM 1575 CD1 TRP A 101 14.156 -9.224 22.046 1.00 0.00 C ATOM 1576 CD2 TRP A 101 13.595 -11.219 21.190 1.00 0.00 C ATOM 1577 CE2 TRP A 101 13.862 -11.376 22.556 1.00 0.00 C ATOM 1578 CE3 TRP A 101 13.210 -12.340 20.445 1.00 0.00 C ATOM 1579 CG TRP A 101 13.793 -9.829 20.874 1.00 0.00 C ATOM 1580 CH2 TRP A 101 13.400 -13.692 22.435 1.00 0.00 C ATOM 1581 CZ2 TRP A 101 13.787 -12.614 23.180 1.00 0.00 C ATOM 1582 CZ3 TRP A 101 13.120 -13.563 21.073 1.00 0.00 C ATOM 1593 N TRP A 101 14.636 -8.613 17.286 1.00 0.00 N ATOM 1594 NE1 TRP A 101 14.215 -10.151 23.054 1.00 0.00 N ATOM 1595 O TRP A 101 16.488 -10.810 19.390 1.00 0.00 O ATOM 0 H TRP A 101 13.660 -8.345 17.162 1.00 0.00 H new ATOM 0 HA TRP A 101 15.648 -8.420 19.114 1.00 0.00 H new ATOM 0 HB2 TRP A 101 13.262 -8.162 19.647 1.00 0.00 H new ATOM 0 HB3 TRP A 101 12.879 -9.721 18.946 1.00 0.00 H new ATOM 0 HD1 TRP A 101 14.365 -8.171 22.160 1.00 0.00 H new ATOM 0 HE1 TRP A 101 14.480 -9.959 24.020 1.00 0.00 H new ATOM 0 HE3 TRP A 101 12.987 -12.247 19.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 14.028 -12.722 24.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 12.829 -14.434 20.504 1.00 0.00 H new ATOM 0 HH2 TRP A 101 13.309 -14.659 22.907 1.00 0.00 H new ATOM 1596 C MET A 102 16.994 -12.801 16.879 1.00 0.00 C ATOM 1597 CA MET A 102 15.578 -12.740 17.493 1.00 0.00 C ATOM 1598 CB MET A 102 14.525 -13.535 16.633 1.00 0.00 C ATOM 1599 CE MET A 102 12.689 -15.295 14.871 1.00 0.00 C ATOM 1600 CG MET A 102 13.734 -14.604 17.410 1.00 0.00 C ATOM 1610 N MET A 102 15.128 -11.343 17.671 1.00 0.00 N ATOM 1611 O MET A 102 17.681 -13.816 17.001 1.00 0.00 O ATOM 1612 SD MET A 102 12.203 -15.140 16.591 1.00 0.00 S ATOM 0 H MET A 102 14.409 -11.066 17.002 1.00 0.00 H new ATOM 0 HA MET A 102 15.645 -13.216 18.471 1.00 0.00 H new ATOM 0 HB2 MET A 102 13.821 -12.825 16.199 1.00 0.00 H new ATOM 0 HB3 MET A 102 15.043 -14.017 15.804 1.00 0.00 H new ATOM 0 HG2 MET A 102 14.374 -15.473 17.564 1.00 0.00 H new ATOM 0 HG3 MET A 102 13.487 -14.212 18.396 1.00 0.00 H new ATOM 0 HE1 MET A 102 11.892 -15.783 14.310 1.00 0.00 H new ATOM 0 HE2 MET A 102 12.872 -14.305 14.454 1.00 0.00 H new ATOM 0 HE3 MET A 102 13.599 -15.892 14.802 1.00 0.00 H new