USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 465 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 483 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 486 THR OG1 : rot -143:sc= 0.882 USER MOD Set 2.1: A 460 CYS SG : rot 53:sc= 1.06 USER MOD Set 2.2: A 469 CYS SG : rot 120:sc= 1.8 USER MOD Set 2.3: A 471 ASN : amide:sc= -0.115 K(o=2.9,f=4.8) USER MOD Set 2.4: A 475 CYS SG : rot 143:sc= 0.362 USER MOD Set 2.5: A 479 HIS : no HD1:sc= -0.227 K(o=2.9,f=4.8) USER MOD Set 3.1: A 437 CYS SG : rot 131:sc= 0.406 USER MOD Set 3.2: A 445 CYS SG : rot -90:sc= 1.05 USER MOD Set 3.3: A 451 CYS SG : rot 171:sc= 1.11 USER MOD Set 3.4: A 455 HIS : no HE2:sc= -1.53! C(o=1!,f=-4.6!) USER MOD Single : A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 438 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 440 TYR OH : rot -144:sc= 0.002 USER MOD Single : A 442 THR OG1 : rot -2:sc= 0.224 USER MOD Single : A 450 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 453 TYR OH : rot 180:sc= -0.111 USER MOD Single : A 454 MET CE :methyl -170:sc= -2.24! (180deg=-2.56!) USER MOD Single : A 461 LYS NZ :NH3+ 158:sc= -0.0579 (180deg=-0.321) USER MOD Single : A 463 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 HIS : no HE2:sc= -4.11! C(o=-4.1!,f=-4.1!) USER MOD Single : A 465 THR OG1 : rot -37:sc= 0.245 USER MOD Single : A 466 THR OG1 : rot 180:sc=-0.00573 USER MOD Single : A 468 ASN : amide:sc= -0.815 K(o=-0.82,f=-1.7!) USER MOD Single : A 476 MET CE :methyl 165:sc= -0.196 (180deg=-0.684) USER MOD Single : A 478 SER OG : rot 69:sc= -0.273 USER MOD Single : A 492 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0942) USER MOD Single : A 493 MET CE :methyl 134:sc= -0.118 (180deg=-1.6) USER MOD ----------------------------------------------------------------- ATOM 136 N LYS A 433 9.682 -10.614 -11.253 1.00 0.00 N ATOM 137 CA LYS A 433 10.068 -9.227 -11.483 1.00 0.00 C ATOM 138 C LYS A 433 10.551 -8.575 -10.191 1.00 0.00 C ATOM 139 O LYS A 433 11.295 -7.595 -10.220 1.00 0.00 O ATOM 140 CB LYS A 433 8.889 -8.436 -12.056 1.00 0.00 C ATOM 141 CG LYS A 433 8.463 -8.897 -13.439 1.00 0.00 C ATOM 142 CD LYS A 433 9.218 -8.158 -14.531 1.00 0.00 C ATOM 143 CE LYS A 433 8.717 -6.731 -14.687 1.00 0.00 C ATOM 144 NZ LYS A 433 9.697 -5.875 -15.412 1.00 0.00 N ATOM 0 HA LYS A 433 10.887 -9.219 -12.202 1.00 0.00 H new ATOM 0 HB2 LYS A 433 8.041 -8.521 -11.377 1.00 0.00 H new ATOM 0 HB3 LYS A 433 9.158 -7.381 -12.101 1.00 0.00 H new ATOM 0 HG2 LYS A 433 8.638 -9.969 -13.536 1.00 0.00 H new ATOM 0 HG3 LYS A 433 7.392 -8.736 -13.563 1.00 0.00 H new ATOM 0 HD2 LYS A 433 10.282 -8.147 -14.296 1.00 0.00 H new ATOM 0 HD3 LYS A 433 9.106 -8.689 -15.476 1.00 0.00 H new ATOM 0 HE2 LYS A 433 7.770 -6.736 -15.227 1.00 0.00 H new ATOM 0 HE3 LYS A 433 8.521 -6.305 -13.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 9.318 -4.910 -15.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 10.593 -5.850 -14.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 9.865 -6.267 -16.361 1.00 0.00 H new ATOM 158 N ARG A 434 10.123 -9.126 -9.060 1.00 0.00 N ATOM 159 CA ARG A 434 10.512 -8.598 -7.758 1.00 0.00 C ATOM 160 C ARG A 434 10.115 -7.130 -7.625 1.00 0.00 C ATOM 161 O ARG A 434 10.881 -6.314 -7.114 1.00 0.00 O ATOM 162 CB ARG A 434 12.021 -8.749 -7.553 1.00 0.00 C ATOM 163 CG ARG A 434 12.458 -10.179 -7.279 1.00 0.00 C ATOM 164 CD ARG A 434 12.067 -10.623 -5.878 1.00 0.00 C ATOM 165 NE ARG A 434 12.429 -12.014 -5.624 1.00 0.00 N ATOM 166 CZ ARG A 434 11.860 -12.762 -4.685 1.00 0.00 C ATOM 167 NH1 ARG A 434 10.907 -12.254 -3.916 1.00 0.00 N ATOM 168 NH2 ARG A 434 12.244 -14.021 -4.514 1.00 0.00 N ATOM 0 H ARG A 434 9.507 -9.938 -9.019 1.00 0.00 H new ATOM 0 HA ARG A 434 9.988 -9.169 -6.991 1.00 0.00 H new ATOM 0 HB2 ARG A 434 12.538 -8.384 -8.440 1.00 0.00 H new ATOM 0 HB3 ARG A 434 12.331 -8.117 -6.721 1.00 0.00 H new ATOM 0 HG2 ARG A 434 12.005 -10.846 -8.013 1.00 0.00 H new ATOM 0 HG3 ARG A 434 13.538 -10.260 -7.399 1.00 0.00 H new ATOM 0 HD2 ARG A 434 12.556 -9.982 -5.145 1.00 0.00 H new ATOM 0 HD3 ARG A 434 10.992 -10.498 -5.745 1.00 0.00 H new ATOM 0 HE ARG A 434 13.159 -12.435 -6.199 1.00 0.00 H new ATOM 0 HH11 ARG A 434 10.609 -11.287 -4.045 1.00 0.00 H new ATOM 0 HH12 ARG A 434 10.472 -12.830 -3.196 1.00 0.00 H new ATOM 0 HH21 ARG A 434 12.977 -14.415 -5.104 1.00 0.00 H new ATOM 0 HH22 ARG A 434 11.806 -14.594 -3.793 1.00 0.00 H new ATOM 182 N GLU A 435 8.913 -6.803 -8.091 1.00 0.00 N ATOM 183 CA GLU A 435 8.416 -5.434 -8.025 1.00 0.00 C ATOM 184 C GLU A 435 6.946 -5.409 -7.617 1.00 0.00 C ATOM 185 O GLU A 435 6.211 -6.372 -7.838 1.00 0.00 O ATOM 186 CB GLU A 435 8.594 -4.738 -9.376 1.00 0.00 C ATOM 187 CG GLU A 435 10.014 -4.261 -9.632 1.00 0.00 C ATOM 188 CD GLU A 435 10.192 -3.680 -11.022 1.00 0.00 C ATOM 189 OE1 GLU A 435 9.672 -2.573 -11.274 1.00 0.00 O ATOM 190 OE2 GLU A 435 10.852 -4.334 -11.857 1.00 0.00 O ATOM 0 H GLU A 435 8.267 -7.467 -8.518 1.00 0.00 H new ATOM 0 HA GLU A 435 8.994 -4.900 -7.271 1.00 0.00 H new ATOM 0 HB2 GLU A 435 8.301 -5.425 -10.170 1.00 0.00 H new ATOM 0 HB3 GLU A 435 7.918 -3.884 -9.427 1.00 0.00 H new ATOM 0 HG2 GLU A 435 10.280 -3.508 -8.890 1.00 0.00 H new ATOM 0 HG3 GLU A 435 10.703 -5.095 -9.500 1.00 0.00 H new ATOM 197 N LEU A 436 6.523 -4.300 -7.020 1.00 0.00 N ATOM 198 CA LEU A 436 5.141 -4.147 -6.580 1.00 0.00 C ATOM 199 C LEU A 436 4.233 -3.784 -7.751 1.00 0.00 C ATOM 200 O LEU A 436 4.240 -2.648 -8.226 1.00 0.00 O ATOM 201 CB LEU A 436 5.046 -3.073 -5.494 1.00 0.00 C ATOM 202 CG LEU A 436 3.633 -2.654 -5.087 1.00 0.00 C ATOM 203 CD1 LEU A 436 2.943 -3.773 -4.324 1.00 0.00 C ATOM 204 CD2 LEU A 436 3.674 -1.383 -4.251 1.00 0.00 C ATOM 0 H LEU A 436 7.118 -3.493 -6.830 1.00 0.00 H new ATOM 0 HA LEU A 436 4.809 -5.101 -6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 436 5.566 -3.435 -4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 436 5.581 -2.188 -5.838 1.00 0.00 H new ATOM 0 HG LEU A 436 3.060 -2.452 -5.992 1.00 0.00 H new ATOM 0 HD11 LEU A 436 1.939 -3.456 -4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 436 2.880 -4.659 -4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 436 3.514 -4.007 -3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 436 2.660 -1.099 -3.970 1.00 0.00 H new ATOM 0 HD22 LEU A 436 4.264 -1.558 -3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 436 4.128 -0.580 -4.832 1.00 0.00 H new ATOM 216 N CYS A 437 3.452 -4.755 -8.211 1.00 0.00 N ATOM 217 CA CYS A 437 2.537 -4.538 -9.325 1.00 0.00 C ATOM 218 C CYS A 437 1.861 -3.175 -9.216 1.00 0.00 C ATOM 219 O CYS A 437 1.224 -2.863 -8.210 1.00 0.00 O ATOM 220 CB CYS A 437 1.479 -5.643 -9.366 1.00 0.00 C ATOM 221 SG CYS A 437 0.625 -5.796 -10.967 1.00 0.00 S ATOM 0 H CYS A 437 3.434 -5.701 -7.829 1.00 0.00 H new ATOM 0 HA CYS A 437 3.116 -4.564 -10.248 1.00 0.00 H new ATOM 0 HB2 CYS A 437 1.954 -6.595 -9.127 1.00 0.00 H new ATOM 0 HB3 CYS A 437 0.739 -5.452 -8.589 1.00 0.00 H new ATOM 0 HG CYS A 437 0.622 -7.041 -11.340 1.00 0.00 H new ATOM 226 N LYS A 438 2.004 -2.365 -10.260 1.00 0.00 N ATOM 227 CA LYS A 438 1.407 -1.035 -10.285 1.00 0.00 C ATOM 228 C LYS A 438 -0.113 -1.123 -10.382 1.00 0.00 C ATOM 229 O LYS A 438 -0.806 -0.106 -10.356 1.00 0.00 O ATOM 230 CB LYS A 438 1.958 -0.228 -11.462 1.00 0.00 C ATOM 231 CG LYS A 438 3.452 0.028 -11.378 1.00 0.00 C ATOM 232 CD LYS A 438 3.780 1.077 -10.329 1.00 0.00 C ATOM 233 CE LYS A 438 5.151 1.692 -10.565 1.00 0.00 C ATOM 234 NZ LYS A 438 6.246 0.704 -10.355 1.00 0.00 N ATOM 0 H LYS A 438 2.529 -2.607 -11.101 1.00 0.00 H new ATOM 0 HA LYS A 438 1.666 -0.530 -9.354 1.00 0.00 H new ATOM 0 HB2 LYS A 438 1.740 -0.759 -12.389 1.00 0.00 H new ATOM 0 HB3 LYS A 438 1.436 0.728 -11.512 1.00 0.00 H new ATOM 0 HG2 LYS A 438 3.968 -0.901 -11.138 1.00 0.00 H new ATOM 0 HG3 LYS A 438 3.821 0.356 -12.350 1.00 0.00 H new ATOM 0 HD2 LYS A 438 3.021 1.859 -10.346 1.00 0.00 H new ATOM 0 HD3 LYS A 438 3.749 0.624 -9.338 1.00 0.00 H new ATOM 0 HE2 LYS A 438 5.204 2.082 -11.581 1.00 0.00 H new ATOM 0 HE3 LYS A 438 5.291 2.537 -9.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 7.164 1.162 -10.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 6.212 0.350 -9.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 6.128 -0.091 -11.015 1.00 0.00 H new ATOM 248 N PHE A 439 -0.625 -2.344 -10.492 1.00 0.00 N ATOM 249 CA PHE A 439 -2.063 -2.564 -10.592 1.00 0.00 C ATOM 250 C PHE A 439 -2.623 -3.106 -9.280 1.00 0.00 C ATOM 251 O PHE A 439 -3.594 -2.576 -8.741 1.00 0.00 O ATOM 252 CB PHE A 439 -2.374 -3.536 -11.732 1.00 0.00 C ATOM 253 CG PHE A 439 -2.021 -2.999 -13.090 1.00 0.00 C ATOM 254 CD1 PHE A 439 -2.554 -1.800 -13.535 1.00 0.00 C ATOM 255 CD2 PHE A 439 -1.157 -3.693 -13.921 1.00 0.00 C ATOM 256 CE1 PHE A 439 -2.231 -1.303 -14.784 1.00 0.00 C ATOM 257 CE2 PHE A 439 -0.830 -3.201 -15.171 1.00 0.00 C ATOM 258 CZ PHE A 439 -1.369 -2.005 -15.603 1.00 0.00 C ATOM 0 H PHE A 439 -0.065 -3.197 -10.514 1.00 0.00 H new ATOM 0 HA PHE A 439 -2.538 -1.605 -10.801 1.00 0.00 H new ATOM 0 HB2 PHE A 439 -1.830 -4.466 -11.565 1.00 0.00 H new ATOM 0 HB3 PHE A 439 -3.436 -3.780 -11.711 1.00 0.00 H new ATOM 0 HD1 PHE A 439 -3.230 -1.247 -12.899 1.00 0.00 H new ATOM 0 HD2 PHE A 439 -0.734 -4.629 -13.589 1.00 0.00 H new ATOM 0 HE1 PHE A 439 -2.652 -0.367 -15.119 1.00 0.00 H new ATOM 0 HE2 PHE A 439 -0.154 -3.751 -15.809 1.00 0.00 H new ATOM 0 HZ PHE A 439 -1.117 -1.619 -16.580 1.00 0.00 H new ATOM 268 N TYR A 440 -2.003 -4.166 -8.773 1.00 0.00 N ATOM 269 CA TYR A 440 -2.440 -4.783 -7.526 1.00 0.00 C ATOM 270 C TYR A 440 -2.735 -3.724 -6.468 1.00 0.00 C ATOM 271 O TYR A 440 -3.678 -3.857 -5.687 1.00 0.00 O ATOM 272 CB TYR A 440 -1.374 -5.752 -7.011 1.00 0.00 C ATOM 273 CG TYR A 440 -1.830 -6.581 -5.831 1.00 0.00 C ATOM 274 CD1 TYR A 440 -2.960 -7.384 -5.917 1.00 0.00 C ATOM 275 CD2 TYR A 440 -1.130 -6.561 -4.631 1.00 0.00 C ATOM 276 CE1 TYR A 440 -3.380 -8.143 -4.842 1.00 0.00 C ATOM 277 CE2 TYR A 440 -1.542 -7.318 -3.551 1.00 0.00 C ATOM 278 CZ TYR A 440 -2.667 -8.107 -3.661 1.00 0.00 C ATOM 279 OH TYR A 440 -3.082 -8.861 -2.587 1.00 0.00 O ATOM 0 H TYR A 440 -1.196 -4.616 -9.206 1.00 0.00 H new ATOM 0 HA TYR A 440 -3.358 -5.336 -7.726 1.00 0.00 H new ATOM 0 HB2 TYR A 440 -1.079 -6.419 -7.821 1.00 0.00 H new ATOM 0 HB3 TYR A 440 -0.487 -5.186 -6.726 1.00 0.00 H new ATOM 0 HD1 TYR A 440 -3.520 -7.416 -6.840 1.00 0.00 H new ATOM 0 HD2 TYR A 440 -0.249 -5.943 -4.541 1.00 0.00 H new ATOM 0 HE1 TYR A 440 -4.262 -8.761 -4.925 1.00 0.00 H new ATOM 0 HE2 TYR A 440 -0.986 -7.292 -2.626 1.00 0.00 H new ATOM 0 HH TYR A 440 -2.904 -8.372 -1.756 1.00 0.00 H new ATOM 289 N ILE A 441 -1.923 -2.673 -6.451 1.00 0.00 N ATOM 290 CA ILE A 441 -2.097 -1.590 -5.491 1.00 0.00 C ATOM 291 C ILE A 441 -3.572 -1.245 -5.312 1.00 0.00 C ATOM 292 O ILE A 441 -4.016 -0.917 -4.212 1.00 0.00 O ATOM 293 CB ILE A 441 -1.335 -0.324 -5.926 1.00 0.00 C ATOM 294 CG1 ILE A 441 0.159 -0.624 -6.063 1.00 0.00 C ATOM 295 CG2 ILE A 441 -1.565 0.802 -4.929 1.00 0.00 C ATOM 296 CD1 ILE A 441 0.934 0.471 -6.762 1.00 0.00 C ATOM 0 H ILE A 441 -1.138 -2.548 -7.091 1.00 0.00 H new ATOM 0 HA ILE A 441 -1.691 -1.941 -4.543 1.00 0.00 H new ATOM 0 HB ILE A 441 -1.714 -0.006 -6.897 1.00 0.00 H new ATOM 0 HG12 ILE A 441 0.582 -0.781 -5.071 1.00 0.00 H new ATOM 0 HG13 ILE A 441 0.285 -1.556 -6.614 1.00 0.00 H new ATOM 0 HG21 ILE A 441 -1.020 1.690 -5.250 1.00 0.00 H new ATOM 0 HG22 ILE A 441 -2.630 1.029 -4.876 1.00 0.00 H new ATOM 0 HG23 ILE A 441 -1.210 0.495 -3.945 1.00 0.00 H new ATOM 0 HD11 ILE A 441 1.985 0.190 -6.823 1.00 0.00 H new ATOM 0 HD12 ILE A 441 0.537 0.613 -7.767 1.00 0.00 H new ATOM 0 HD13 ILE A 441 0.839 1.400 -6.200 1.00 0.00 H new ATOM 308 N THR A 442 -4.329 -1.324 -6.403 1.00 0.00 N ATOM 309 CA THR A 442 -5.754 -1.021 -6.367 1.00 0.00 C ATOM 310 C THR A 442 -6.586 -2.298 -6.335 1.00 0.00 C ATOM 311 O THR A 442 -7.636 -2.349 -5.696 1.00 0.00 O ATOM 312 CB THR A 442 -6.179 -0.175 -7.583 1.00 0.00 C ATOM 313 OG1 THR A 442 -5.592 -0.705 -8.777 1.00 0.00 O ATOM 314 CG2 THR A 442 -5.759 1.276 -7.406 1.00 0.00 C ATOM 0 H THR A 442 -3.978 -1.595 -7.322 1.00 0.00 H new ATOM 0 HA THR A 442 -5.934 -0.450 -5.456 1.00 0.00 H new ATOM 0 HB THR A 442 -7.265 -0.215 -7.664 1.00 0.00 H new ATOM 0 HG1 THR A 442 -5.017 -1.465 -8.549 1.00 0.00 H new ATOM 0 HG21 THR A 442 -6.070 1.854 -8.277 1.00 0.00 H new ATOM 0 HG22 THR A 442 -6.230 1.685 -6.512 1.00 0.00 H new ATOM 0 HG23 THR A 442 -4.675 1.331 -7.302 1.00 0.00 H new ATOM 322 N GLY A 443 -6.110 -3.328 -7.028 1.00 0.00 N ATOM 323 CA GLY A 443 -6.823 -4.591 -7.064 1.00 0.00 C ATOM 324 C GLY A 443 -7.225 -4.990 -8.470 1.00 0.00 C ATOM 325 O GLY A 443 -7.676 -6.112 -8.700 1.00 0.00 O ATOM 0 H GLY A 443 -5.243 -3.310 -7.565 1.00 0.00 H new ATOM 0 HA2 GLY A 443 -6.195 -5.371 -6.634 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -7.715 -4.519 -6.441 1.00 0.00 H new ATOM 329 N PHE A 444 -7.062 -4.069 -9.414 1.00 0.00 N ATOM 330 CA PHE A 444 -7.414 -4.329 -10.805 1.00 0.00 C ATOM 331 C PHE A 444 -6.193 -4.785 -11.598 1.00 0.00 C ATOM 332 O PHE A 444 -5.540 -3.985 -12.270 1.00 0.00 O ATOM 333 CB PHE A 444 -8.013 -3.076 -11.445 1.00 0.00 C ATOM 334 CG PHE A 444 -7.979 -3.094 -12.947 1.00 0.00 C ATOM 335 CD1 PHE A 444 -8.500 -4.168 -13.651 1.00 0.00 C ATOM 336 CD2 PHE A 444 -7.426 -2.039 -13.654 1.00 0.00 C ATOM 337 CE1 PHE A 444 -8.470 -4.188 -15.033 1.00 0.00 C ATOM 338 CE2 PHE A 444 -7.395 -2.053 -15.035 1.00 0.00 C ATOM 339 CZ PHE A 444 -7.916 -3.130 -15.726 1.00 0.00 C ATOM 0 H PHE A 444 -6.688 -3.136 -9.241 1.00 0.00 H new ATOM 0 HA PHE A 444 -8.156 -5.127 -10.823 1.00 0.00 H new ATOM 0 HB2 PHE A 444 -9.046 -2.967 -11.114 1.00 0.00 H new ATOM 0 HB3 PHE A 444 -7.470 -2.201 -11.088 1.00 0.00 H new ATOM 0 HD1 PHE A 444 -8.934 -4.998 -13.114 1.00 0.00 H new ATOM 0 HD2 PHE A 444 -7.014 -1.196 -13.119 1.00 0.00 H new ATOM 0 HE1 PHE A 444 -8.880 -5.031 -15.570 1.00 0.00 H new ATOM 0 HE2 PHE A 444 -6.964 -1.223 -15.574 1.00 0.00 H new ATOM 0 HZ PHE A 444 -7.890 -3.144 -16.806 1.00 0.00 H new ATOM 349 N CYS A 445 -5.889 -6.076 -11.515 1.00 0.00 N ATOM 350 CA CYS A 445 -4.746 -6.640 -12.223 1.00 0.00 C ATOM 351 C CYS A 445 -5.196 -7.699 -13.226 1.00 0.00 C ATOM 352 O CYS A 445 -5.704 -8.753 -12.845 1.00 0.00 O ATOM 353 CB CYS A 445 -3.755 -7.250 -11.231 1.00 0.00 C ATOM 354 SG CYS A 445 -2.406 -8.193 -12.011 1.00 0.00 S ATOM 0 H CYS A 445 -6.419 -6.752 -10.964 1.00 0.00 H new ATOM 0 HA CYS A 445 -4.254 -5.834 -12.768 1.00 0.00 H new ATOM 0 HB2 CYS A 445 -3.324 -6.451 -10.627 1.00 0.00 H new ATOM 0 HB3 CYS A 445 -4.297 -7.907 -10.550 1.00 0.00 H new ATOM 0 HG CYS A 445 -2.766 -9.435 -12.144 1.00 0.00 H new ATOM 359 N ALA A 446 -5.005 -7.410 -14.509 1.00 0.00 N ATOM 360 CA ALA A 446 -5.388 -8.337 -15.566 1.00 0.00 C ATOM 361 C ALA A 446 -4.976 -9.764 -15.221 1.00 0.00 C ATOM 362 O ALA A 446 -5.817 -10.604 -14.901 1.00 0.00 O ATOM 363 CB ALA A 446 -4.771 -7.913 -16.890 1.00 0.00 C ATOM 0 H ALA A 446 -4.587 -6.541 -14.841 1.00 0.00 H new ATOM 0 HA ALA A 446 -6.474 -8.313 -15.660 1.00 0.00 H new ATOM 0 HB1 ALA A 446 -5.066 -8.615 -17.670 1.00 0.00 H new ATOM 0 HB2 ALA A 446 -5.120 -6.914 -17.150 1.00 0.00 H new ATOM 0 HB3 ALA A 446 -3.685 -7.906 -16.800 1.00 0.00 H new ATOM 369 N ARG A 447 -3.676 -10.032 -15.289 1.00 0.00 N ATOM 370 CA ARG A 447 -3.152 -11.358 -14.985 1.00 0.00 C ATOM 371 C ARG A 447 -3.036 -11.565 -13.478 1.00 0.00 C ATOM 372 O ARG A 447 -2.185 -10.965 -12.822 1.00 0.00 O ATOM 373 CB ARG A 447 -1.785 -11.553 -15.644 1.00 0.00 C ATOM 374 CG ARG A 447 -1.846 -11.642 -17.160 1.00 0.00 C ATOM 375 CD ARG A 447 -0.457 -11.752 -17.768 1.00 0.00 C ATOM 376 NE ARG A 447 -0.506 -11.928 -19.217 1.00 0.00 N ATOM 377 CZ ARG A 447 -0.684 -10.928 -20.074 1.00 0.00 C ATOM 378 NH1 ARG A 447 -0.828 -9.688 -19.629 1.00 0.00 N ATOM 379 NH2 ARG A 447 -0.717 -11.169 -21.378 1.00 0.00 N ATOM 0 H ARG A 447 -2.966 -9.348 -15.552 1.00 0.00 H new ATOM 0 HA ARG A 447 -3.848 -12.096 -15.383 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -1.134 -10.725 -15.363 1.00 0.00 H new ATOM 0 HB3 ARG A 447 -1.329 -12.463 -15.253 1.00 0.00 H new ATOM 0 HG2 ARG A 447 -2.441 -12.507 -17.451 1.00 0.00 H new ATOM 0 HG3 ARG A 447 -2.349 -10.761 -17.557 1.00 0.00 H new ATOM 0 HD2 ARG A 447 0.114 -10.855 -17.531 1.00 0.00 H new ATOM 0 HD3 ARG A 447 0.070 -12.594 -17.318 1.00 0.00 H new ATOM 0 HE ARG A 447 -0.398 -12.870 -19.592 1.00 0.00 H new ATOM 0 HH11 ARG A 447 -0.802 -9.500 -18.627 1.00 0.00 H new ATOM 0 HH12 ARG A 447 -0.964 -8.922 -20.289 1.00 0.00 H new ATOM 0 HH21 ARG A 447 -0.606 -12.122 -21.723 1.00 0.00 H new ATOM 0 HH22 ARG A 447 -0.854 -10.401 -22.035 1.00 0.00 H new ATOM 393 N ALA A 448 -3.899 -12.419 -12.935 1.00 0.00 N ATOM 394 CA ALA A 448 -3.892 -12.706 -11.506 1.00 0.00 C ATOM 395 C ALA A 448 -2.808 -13.719 -11.155 1.00 0.00 C ATOM 396 O ALA A 448 -1.781 -13.366 -10.577 1.00 0.00 O ATOM 397 CB ALA A 448 -5.256 -13.215 -11.064 1.00 0.00 C ATOM 0 H ALA A 448 -4.611 -12.923 -13.463 1.00 0.00 H new ATOM 0 HA ALA A 448 -3.672 -11.780 -10.975 1.00 0.00 H new ATOM 0 HB1 ALA A 448 -5.237 -13.425 -9.995 1.00 0.00 H new ATOM 0 HB2 ALA A 448 -6.012 -12.457 -11.271 1.00 0.00 H new ATOM 0 HB3 ALA A 448 -5.498 -14.127 -11.609 1.00 0.00 H new ATOM 403 N GLU A 449 -3.044 -14.979 -11.507 1.00 0.00 N ATOM 404 CA GLU A 449 -2.087 -16.042 -11.227 1.00 0.00 C ATOM 405 C GLU A 449 -0.910 -15.984 -12.196 1.00 0.00 C ATOM 406 O GLU A 449 0.056 -16.734 -12.061 1.00 0.00 O ATOM 407 CB GLU A 449 -2.769 -17.409 -11.317 1.00 0.00 C ATOM 408 CG GLU A 449 -1.841 -18.573 -11.014 1.00 0.00 C ATOM 409 CD GLU A 449 -2.551 -19.912 -11.057 1.00 0.00 C ATOM 410 OE1 GLU A 449 -3.660 -20.013 -10.490 1.00 0.00 O ATOM 411 OE2 GLU A 449 -1.999 -20.859 -11.655 1.00 0.00 O ATOM 0 H GLU A 449 -3.890 -15.288 -11.986 1.00 0.00 H new ATOM 0 HA GLU A 449 -1.709 -15.898 -10.215 1.00 0.00 H new ATOM 0 HB2 GLU A 449 -3.608 -17.434 -10.622 1.00 0.00 H new ATOM 0 HB3 GLU A 449 -3.181 -17.535 -12.318 1.00 0.00 H new ATOM 0 HG2 GLU A 449 -1.022 -18.577 -11.734 1.00 0.00 H new ATOM 0 HG3 GLU A 449 -1.398 -18.432 -10.028 1.00 0.00 H new ATOM 418 N ASN A 450 -1.000 -15.089 -13.174 1.00 0.00 N ATOM 419 CA ASN A 450 0.057 -14.933 -14.167 1.00 0.00 C ATOM 420 C ASN A 450 0.785 -13.605 -13.983 1.00 0.00 C ATOM 421 O ASN A 450 1.437 -13.109 -14.903 1.00 0.00 O ATOM 422 CB ASN A 450 -0.526 -15.017 -15.579 1.00 0.00 C ATOM 423 CG ASN A 450 -0.869 -16.438 -15.980 1.00 0.00 C ATOM 424 OD1 ASN A 450 -2.027 -16.852 -15.910 1.00 0.00 O ATOM 425 ND2 ASN A 450 0.138 -17.194 -16.403 1.00 0.00 N ATOM 0 H ASN A 450 -1.794 -14.461 -13.300 1.00 0.00 H new ATOM 0 HA ASN A 450 0.774 -15.742 -14.028 1.00 0.00 H new ATOM 0 HB2 ASN A 450 -1.423 -14.400 -15.636 1.00 0.00 H new ATOM 0 HB3 ASN A 450 0.190 -14.605 -16.290 1.00 0.00 H new ATOM 0 HD21 ASN A 450 -0.033 -18.159 -16.686 1.00 0.00 H new ATOM 0 HD22 ASN A 450 1.082 -16.810 -16.445 1.00 0.00 H new ATOM 432 N CYS A 451 0.670 -13.034 -12.789 1.00 0.00 N ATOM 433 CA CYS A 451 1.317 -11.764 -12.482 1.00 0.00 C ATOM 434 C CYS A 451 2.790 -11.971 -12.145 1.00 0.00 C ATOM 435 O CYS A 451 3.142 -12.552 -11.118 1.00 0.00 O ATOM 436 CB CYS A 451 0.607 -11.075 -11.315 1.00 0.00 C ATOM 437 SG CYS A 451 1.184 -9.378 -10.992 1.00 0.00 S ATOM 0 H CYS A 451 0.134 -13.431 -12.017 1.00 0.00 H new ATOM 0 HA CYS A 451 1.251 -11.128 -13.365 1.00 0.00 H new ATOM 0 HB2 CYS A 451 -0.464 -11.051 -11.518 1.00 0.00 H new ATOM 0 HB3 CYS A 451 0.747 -11.673 -10.414 1.00 0.00 H new ATOM 0 HG CYS A 451 0.402 -8.812 -10.121 1.00 0.00 H new ATOM 442 N PRO A 452 3.674 -11.485 -13.030 1.00 0.00 N ATOM 443 CA PRO A 452 5.123 -11.604 -12.848 1.00 0.00 C ATOM 444 C PRO A 452 5.638 -10.732 -11.708 1.00 0.00 C ATOM 445 O PRO A 452 6.838 -10.694 -11.436 1.00 0.00 O ATOM 446 CB PRO A 452 5.689 -11.123 -14.187 1.00 0.00 C ATOM 447 CG PRO A 452 4.641 -10.220 -14.739 1.00 0.00 C ATOM 448 CD PRO A 452 3.325 -10.782 -14.276 1.00 0.00 C ATOM 0 HA PRO A 452 5.419 -12.619 -12.584 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.634 -10.596 -14.051 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.884 -11.960 -14.858 1.00 0.00 H new ATOM 0 HG2 PRO A 452 4.777 -9.199 -14.381 1.00 0.00 H new ATOM 0 HG3 PRO A 452 4.689 -10.185 -15.827 1.00 0.00 H new ATOM 0 HD2 PRO A 452 2.591 -9.995 -14.101 1.00 0.00 H new ATOM 0 HD3 PRO A 452 2.896 -11.460 -15.013 1.00 0.00 H new ATOM 456 N TYR A 453 4.723 -10.034 -11.044 1.00 0.00 N ATOM 457 CA TYR A 453 5.085 -9.161 -9.934 1.00 0.00 C ATOM 458 C TYR A 453 4.688 -9.784 -8.599 1.00 0.00 C ATOM 459 O TYR A 453 4.202 -10.913 -8.549 1.00 0.00 O ATOM 460 CB TYR A 453 4.415 -7.795 -10.092 1.00 0.00 C ATOM 461 CG TYR A 453 4.961 -6.983 -11.244 1.00 0.00 C ATOM 462 CD1 TYR A 453 4.696 -7.341 -12.560 1.00 0.00 C ATOM 463 CD2 TYR A 453 5.744 -5.857 -11.016 1.00 0.00 C ATOM 464 CE1 TYR A 453 5.194 -6.601 -13.616 1.00 0.00 C ATOM 465 CE2 TYR A 453 6.244 -5.111 -12.066 1.00 0.00 C ATOM 466 CZ TYR A 453 5.967 -5.487 -13.363 1.00 0.00 C ATOM 467 OH TYR A 453 6.465 -4.747 -14.411 1.00 0.00 O ATOM 0 H TYR A 453 3.725 -10.056 -11.255 1.00 0.00 H new ATOM 0 HA TYR A 453 6.167 -9.031 -9.946 1.00 0.00 H new ATOM 0 HB2 TYR A 453 3.344 -7.939 -10.235 1.00 0.00 H new ATOM 0 HB3 TYR A 453 4.540 -7.230 -9.169 1.00 0.00 H new ATOM 0 HD1 TYR A 453 4.091 -8.212 -12.761 1.00 0.00 H new ATOM 0 HD2 TYR A 453 5.965 -5.561 -10.001 1.00 0.00 H new ATOM 0 HE1 TYR A 453 4.979 -6.893 -14.633 1.00 0.00 H new ATOM 0 HE2 TYR A 453 6.849 -4.238 -11.872 1.00 0.00 H new ATOM 0 HH TYR A 453 6.988 -3.995 -14.061 1.00 0.00 H new ATOM 477 N MET A 454 4.898 -9.037 -7.520 1.00 0.00 N ATOM 478 CA MET A 454 4.560 -9.514 -6.184 1.00 0.00 C ATOM 479 C MET A 454 3.239 -8.916 -5.710 1.00 0.00 C ATOM 480 O MET A 454 2.957 -7.741 -5.951 1.00 0.00 O ATOM 481 CB MET A 454 5.675 -9.164 -5.197 1.00 0.00 C ATOM 482 CG MET A 454 6.914 -10.031 -5.347 1.00 0.00 C ATOM 483 SD MET A 454 6.743 -11.634 -4.537 1.00 0.00 S ATOM 484 CE MET A 454 7.614 -11.332 -3.001 1.00 0.00 C ATOM 0 H MET A 454 5.300 -8.100 -7.545 1.00 0.00 H new ATOM 0 HA MET A 454 4.452 -10.598 -6.230 1.00 0.00 H new ATOM 0 HB2 MET A 454 5.954 -8.119 -5.333 1.00 0.00 H new ATOM 0 HB3 MET A 454 5.293 -9.263 -4.181 1.00 0.00 H new ATOM 0 HG2 MET A 454 7.120 -10.184 -6.406 1.00 0.00 H new ATOM 0 HG3 MET A 454 7.773 -9.506 -4.928 1.00 0.00 H new ATOM 0 HE1 MET A 454 7.751 -12.274 -2.469 1.00 0.00 H new ATOM 0 HE2 MET A 454 8.588 -10.892 -3.215 1.00 0.00 H new ATOM 0 HE3 MET A 454 7.034 -10.647 -2.383 1.00 0.00 H new ATOM 494 N HIS A 455 2.433 -9.730 -5.037 1.00 0.00 N ATOM 495 CA HIS A 455 1.142 -9.280 -4.530 1.00 0.00 C ATOM 496 C HIS A 455 1.078 -9.414 -3.011 1.00 0.00 C ATOM 497 O HIS A 455 1.171 -8.425 -2.286 1.00 0.00 O ATOM 498 CB HIS A 455 0.010 -10.081 -5.173 1.00 0.00 C ATOM 499 CG HIS A 455 -0.390 -9.575 -6.524 1.00 0.00 C ATOM 500 ND1 HIS A 455 -1.519 -10.009 -7.187 1.00 0.00 N ATOM 501 CD2 HIS A 455 0.195 -8.665 -7.337 1.00 0.00 C ATOM 502 CE1 HIS A 455 -1.610 -9.389 -8.349 1.00 0.00 C ATOM 503 NE2 HIS A 455 -0.583 -8.567 -8.465 1.00 0.00 N ATOM 0 H HIS A 455 2.651 -10.705 -4.830 1.00 0.00 H new ATOM 0 HA HIS A 455 1.024 -8.228 -4.789 1.00 0.00 H new ATOM 0 HB2 HIS A 455 0.318 -11.123 -5.261 1.00 0.00 H new ATOM 0 HB3 HIS A 455 -0.858 -10.060 -4.515 1.00 0.00 H new ATOM 0 HD1 HIS A 455 -2.180 -10.701 -6.835 1.00 0.00 H new ATOM 0 HD2 HIS A 455 1.104 -8.118 -7.136 1.00 0.00 H new ATOM 0 HE1 HIS A 455 -2.392 -9.530 -9.081 1.00 0.00 H new ATOM 511 N GLY A 456 0.916 -10.646 -2.537 1.00 0.00 N ATOM 512 CA GLY A 456 0.841 -10.887 -1.108 1.00 0.00 C ATOM 513 C GLY A 456 2.204 -10.863 -0.444 1.00 0.00 C ATOM 514 O GLY A 456 2.499 -9.970 0.351 1.00 0.00 O ATOM 0 H GLY A 456 0.835 -11.481 -3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 456 0.203 -10.132 -0.648 1.00 0.00 H new ATOM 0 HA3 GLY A 456 0.370 -11.854 -0.930 1.00 0.00 H new ATOM 518 N ASP A 457 3.035 -11.846 -0.768 1.00 0.00 N ATOM 519 CA ASP A 457 4.374 -11.935 -0.197 1.00 0.00 C ATOM 520 C ASP A 457 4.948 -10.546 0.062 1.00 0.00 C ATOM 521 O ASP A 457 5.525 -10.288 1.119 1.00 0.00 O ATOM 522 CB ASP A 457 5.300 -12.717 -1.131 1.00 0.00 C ATOM 523 CG ASP A 457 4.638 -13.959 -1.694 1.00 0.00 C ATOM 524 OD1 ASP A 457 4.377 -14.899 -0.914 1.00 0.00 O ATOM 525 OD2 ASP A 457 4.380 -13.991 -2.916 1.00 0.00 O ATOM 0 H ASP A 457 2.806 -12.593 -1.423 1.00 0.00 H new ATOM 0 HA ASP A 457 4.302 -12.462 0.754 1.00 0.00 H new ATOM 0 HB2 ASP A 457 5.613 -12.072 -1.952 1.00 0.00 H new ATOM 0 HB3 ASP A 457 6.201 -13.003 -0.589 1.00 0.00 H new ATOM 530 N PHE A 458 4.787 -9.654 -0.911 1.00 0.00 N ATOM 531 CA PHE A 458 5.291 -8.291 -0.789 1.00 0.00 C ATOM 532 C PHE A 458 4.955 -7.707 0.580 1.00 0.00 C ATOM 533 O PHE A 458 3.802 -7.692 1.010 1.00 0.00 O ATOM 534 CB PHE A 458 4.703 -7.408 -1.892 1.00 0.00 C ATOM 535 CG PHE A 458 5.496 -6.157 -2.143 1.00 0.00 C ATOM 536 CD1 PHE A 458 6.789 -6.227 -2.634 1.00 0.00 C ATOM 537 CD2 PHE A 458 4.946 -4.910 -1.889 1.00 0.00 C ATOM 538 CE1 PHE A 458 7.521 -5.077 -2.866 1.00 0.00 C ATOM 539 CE2 PHE A 458 5.673 -3.757 -2.119 1.00 0.00 C ATOM 540 CZ PHE A 458 6.962 -3.841 -2.609 1.00 0.00 C ATOM 0 H PHE A 458 4.312 -9.851 -1.792 1.00 0.00 H new ATOM 0 HA PHE A 458 6.375 -8.320 -0.895 1.00 0.00 H new ATOM 0 HB2 PHE A 458 4.645 -7.984 -2.816 1.00 0.00 H new ATOM 0 HB3 PHE A 458 3.683 -7.134 -1.623 1.00 0.00 H new ATOM 0 HD1 PHE A 458 7.231 -7.191 -2.838 1.00 0.00 H new ATOM 0 HD2 PHE A 458 3.938 -4.839 -1.507 1.00 0.00 H new ATOM 0 HE1 PHE A 458 8.529 -5.146 -3.248 1.00 0.00 H new ATOM 0 HE2 PHE A 458 5.234 -2.791 -1.916 1.00 0.00 H new ATOM 0 HZ PHE A 458 7.531 -2.941 -2.791 1.00 0.00 H new ATOM 550 N PRO A 459 5.986 -7.214 1.282 1.00 0.00 N ATOM 551 CA PRO A 459 5.826 -6.619 2.612 1.00 0.00 C ATOM 552 C PRO A 459 5.092 -5.284 2.565 1.00 0.00 C ATOM 553 O PRO A 459 5.269 -4.498 1.634 1.00 0.00 O ATOM 554 CB PRO A 459 7.267 -6.421 3.087 1.00 0.00 C ATOM 555 CG PRO A 459 8.068 -6.311 1.836 1.00 0.00 C ATOM 556 CD PRO A 459 7.388 -7.198 0.830 1.00 0.00 C ATOM 0 HA PRO A 459 5.228 -7.248 3.271 1.00 0.00 H new ATOM 0 HB2 PRO A 459 7.362 -5.523 3.698 1.00 0.00 H new ATOM 0 HB3 PRO A 459 7.601 -7.260 3.698 1.00 0.00 H new ATOM 0 HG2 PRO A 459 8.104 -5.280 1.485 1.00 0.00 H new ATOM 0 HG3 PRO A 459 9.098 -6.628 2.003 1.00 0.00 H new ATOM 0 HD2 PRO A 459 7.480 -6.802 -0.182 1.00 0.00 H new ATOM 0 HD3 PRO A 459 7.819 -8.199 0.821 1.00 0.00 H new ATOM 564 N CYS A 460 4.268 -5.031 3.577 1.00 0.00 N ATOM 565 CA CYS A 460 3.506 -3.790 3.652 1.00 0.00 C ATOM 566 C CYS A 460 4.422 -2.607 3.950 1.00 0.00 C ATOM 567 O CYS A 460 5.402 -2.736 4.685 1.00 0.00 O ATOM 568 CB CYS A 460 2.424 -3.896 4.729 1.00 0.00 C ATOM 569 SG CYS A 460 1.067 -2.696 4.539 1.00 0.00 S ATOM 0 H CYS A 460 4.111 -5.670 4.357 1.00 0.00 H new ATOM 0 HA CYS A 460 3.031 -3.625 2.685 1.00 0.00 H new ATOM 0 HB2 CYS A 460 2.009 -4.904 4.714 1.00 0.00 H new ATOM 0 HB3 CYS A 460 2.885 -3.756 5.707 1.00 0.00 H new ATOM 0 HG CYS A 460 0.578 -2.781 3.337 1.00 0.00 H new ATOM 574 N LYS A 461 4.097 -1.454 3.376 1.00 0.00 N ATOM 575 CA LYS A 461 4.888 -0.247 3.580 1.00 0.00 C ATOM 576 C LYS A 461 4.596 0.371 4.944 1.00 0.00 C ATOM 577 O LYS A 461 5.469 0.427 5.811 1.00 0.00 O ATOM 578 CB LYS A 461 4.597 0.771 2.475 1.00 0.00 C ATOM 579 CG LYS A 461 5.357 2.076 2.634 1.00 0.00 C ATOM 580 CD LYS A 461 5.417 2.850 1.328 1.00 0.00 C ATOM 581 CE LYS A 461 4.279 3.854 1.222 1.00 0.00 C ATOM 582 NZ LYS A 461 4.430 4.969 2.198 1.00 0.00 N ATOM 0 H LYS A 461 3.290 -1.330 2.765 1.00 0.00 H new ATOM 0 HA LYS A 461 5.942 -0.523 3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 461 4.848 0.329 1.511 1.00 0.00 H new ATOM 0 HB3 LYS A 461 3.528 0.983 2.460 1.00 0.00 H new ATOM 0 HG2 LYS A 461 4.876 2.687 3.398 1.00 0.00 H new ATOM 0 HG3 LYS A 461 6.369 1.869 2.982 1.00 0.00 H new ATOM 0 HD2 LYS A 461 6.371 3.371 1.256 1.00 0.00 H new ATOM 0 HD3 LYS A 461 5.370 2.155 0.490 1.00 0.00 H new ATOM 0 HE2 LYS A 461 4.245 4.259 0.211 1.00 0.00 H new ATOM 0 HE3 LYS A 461 3.330 3.347 1.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 3.887 5.793 1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 4.074 4.667 3.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 5.435 5.226 2.279 1.00 0.00 H new ATOM 596 N LEU A 462 3.364 0.832 5.128 1.00 0.00 N ATOM 597 CA LEU A 462 2.956 1.444 6.388 1.00 0.00 C ATOM 598 C LEU A 462 3.448 0.623 7.576 1.00 0.00 C ATOM 599 O LEU A 462 4.196 1.119 8.419 1.00 0.00 O ATOM 600 CB LEU A 462 1.433 1.580 6.442 1.00 0.00 C ATOM 601 CG LEU A 462 0.838 2.766 5.683 1.00 0.00 C ATOM 602 CD1 LEU A 462 -0.681 2.691 5.682 1.00 0.00 C ATOM 603 CD2 LEU A 462 1.308 4.079 6.293 1.00 0.00 C ATOM 0 H LEU A 462 2.630 0.794 4.421 1.00 0.00 H new ATOM 0 HA LEU A 462 3.405 2.436 6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 462 0.992 0.664 6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 462 1.132 1.655 7.487 1.00 0.00 H new ATOM 0 HG LEU A 462 1.184 2.723 4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 462 -1.087 3.543 5.137 1.00 0.00 H new ATOM 0 HD12 LEU A 462 -0.999 1.767 5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 462 -1.047 2.709 6.709 1.00 0.00 H new ATOM 0 HD21 LEU A 462 0.875 4.913 5.740 1.00 0.00 H new ATOM 0 HD22 LEU A 462 0.991 4.130 7.335 1.00 0.00 H new ATOM 0 HD23 LEU A 462 2.395 4.135 6.242 1.00 0.00 H new ATOM 615 N TYR A 463 3.024 -0.634 7.636 1.00 0.00 N ATOM 616 CA TYR A 463 3.421 -1.524 8.720 1.00 0.00 C ATOM 617 C TYR A 463 4.887 -1.316 9.087 1.00 0.00 C ATOM 618 O TYR A 463 5.303 -1.593 10.212 1.00 0.00 O ATOM 619 CB TYR A 463 3.184 -2.982 8.325 1.00 0.00 C ATOM 620 CG TYR A 463 3.634 -3.975 9.373 1.00 0.00 C ATOM 621 CD1 TYR A 463 2.817 -4.297 10.449 1.00 0.00 C ATOM 622 CD2 TYR A 463 4.876 -4.591 9.285 1.00 0.00 C ATOM 623 CE1 TYR A 463 3.225 -5.203 11.409 1.00 0.00 C ATOM 624 CE2 TYR A 463 5.292 -5.499 10.240 1.00 0.00 C ATOM 625 CZ TYR A 463 4.463 -5.801 11.300 1.00 0.00 C ATOM 626 OH TYR A 463 4.872 -6.705 12.254 1.00 0.00 O ATOM 0 H TYR A 463 2.405 -1.060 6.946 1.00 0.00 H new ATOM 0 HA TYR A 463 2.810 -1.288 9.591 1.00 0.00 H new ATOM 0 HB2 TYR A 463 2.122 -3.129 8.130 1.00 0.00 H new ATOM 0 HB3 TYR A 463 3.710 -3.187 7.393 1.00 0.00 H new ATOM 0 HD1 TYR A 463 1.846 -3.831 10.537 1.00 0.00 H new ATOM 0 HD2 TYR A 463 5.527 -4.356 8.456 1.00 0.00 H new ATOM 0 HE1 TYR A 463 2.578 -5.442 12.240 1.00 0.00 H new ATOM 0 HE2 TYR A 463 6.261 -5.969 10.157 1.00 0.00 H new ATOM 0 HH TYR A 463 5.767 -7.035 12.030 1.00 0.00 H new ATOM 636 N HIS A 464 5.666 -0.826 8.128 1.00 0.00 N ATOM 637 CA HIS A 464 7.086 -0.579 8.348 1.00 0.00 C ATOM 638 C HIS A 464 7.341 0.894 8.653 1.00 0.00 C ATOM 639 O HIS A 464 7.959 1.233 9.663 1.00 0.00 O ATOM 640 CB HIS A 464 7.896 -1.005 7.123 1.00 0.00 C ATOM 641 CG HIS A 464 7.965 -2.490 6.938 1.00 0.00 C ATOM 642 ND1 HIS A 464 8.218 -3.366 7.972 1.00 0.00 N ATOM 643 CD2 HIS A 464 7.811 -3.253 5.831 1.00 0.00 C ATOM 644 CE1 HIS A 464 8.218 -4.603 7.509 1.00 0.00 C ATOM 645 NE2 HIS A 464 7.973 -4.562 6.212 1.00 0.00 N ATOM 0 H HIS A 464 5.338 -0.592 7.191 1.00 0.00 H new ATOM 0 HA HIS A 464 7.403 -1.170 9.207 1.00 0.00 H new ATOM 0 HB2 HIS A 464 7.456 -0.556 6.233 1.00 0.00 H new ATOM 0 HB3 HIS A 464 8.908 -0.611 7.212 1.00 0.00 H new ATOM 0 HD1 HIS A 464 8.380 -3.100 8.943 1.00 0.00 H new ATOM 0 HD2 HIS A 464 7.600 -2.898 4.833 1.00 0.00 H new ATOM 0 HE1 HIS A 464 8.389 -5.496 8.092 1.00 0.00 H new ATOM 653 N THR A 465 6.861 1.767 7.772 1.00 0.00 N ATOM 654 CA THR A 465 7.038 3.204 7.946 1.00 0.00 C ATOM 655 C THR A 465 6.998 3.588 9.421 1.00 0.00 C ATOM 656 O THR A 465 7.695 4.507 9.853 1.00 0.00 O ATOM 657 CB THR A 465 5.957 3.998 7.190 1.00 0.00 C ATOM 658 OG1 THR A 465 4.670 3.745 7.767 1.00 0.00 O ATOM 659 CG2 THR A 465 5.940 3.623 5.716 1.00 0.00 C ATOM 0 H THR A 465 6.347 1.504 6.931 1.00 0.00 H new ATOM 0 HA THR A 465 8.016 3.455 7.535 1.00 0.00 H new ATOM 0 HB THR A 465 6.191 5.059 7.275 1.00 0.00 H new ATOM 0 HG1 THR A 465 4.613 2.806 8.040 1.00 0.00 H new ATOM 0 HG21 THR A 465 5.168 4.197 5.203 1.00 0.00 H new ATOM 0 HG22 THR A 465 6.911 3.844 5.273 1.00 0.00 H new ATOM 0 HG23 THR A 465 5.729 2.559 5.614 1.00 0.00 H new ATOM 667 N THR A 466 6.178 2.879 10.191 1.00 0.00 N ATOM 668 CA THR A 466 6.047 3.147 11.617 1.00 0.00 C ATOM 669 C THR A 466 6.102 1.856 12.426 1.00 0.00 C ATOM 670 O THR A 466 6.720 1.803 13.488 1.00 0.00 O ATOM 671 CB THR A 466 4.731 3.881 11.932 1.00 0.00 C ATOM 672 OG1 THR A 466 3.614 3.064 11.565 1.00 0.00 O ATOM 673 CG2 THR A 466 4.661 5.208 11.191 1.00 0.00 C ATOM 0 H THR A 466 5.595 2.115 9.850 1.00 0.00 H new ATOM 0 HA THR A 466 6.886 3.784 11.897 1.00 0.00 H new ATOM 0 HB THR A 466 4.699 4.079 13.003 1.00 0.00 H new ATOM 0 HG1 THR A 466 2.781 3.538 11.770 1.00 0.00 H new ATOM 0 HG21 THR A 466 3.722 5.709 11.429 1.00 0.00 H new ATOM 0 HG22 THR A 466 5.496 5.839 11.495 1.00 0.00 H new ATOM 0 HG23 THR A 466 4.714 5.028 10.117 1.00 0.00 H new ATOM 681 N GLY A 467 5.451 0.815 11.915 1.00 0.00 N ATOM 682 CA GLY A 467 5.439 -0.463 12.604 1.00 0.00 C ATOM 683 C GLY A 467 4.093 -1.156 12.516 1.00 0.00 C ATOM 684 O GLY A 467 4.024 -2.375 12.372 1.00 0.00 O ATOM 0 H GLY A 467 4.932 0.834 11.037 1.00 0.00 H new ATOM 0 HA2 GLY A 467 6.206 -1.110 12.177 1.00 0.00 H new ATOM 0 HA3 GLY A 467 5.698 -0.310 13.652 1.00 0.00 H new ATOM 688 N ASN A 468 3.021 -0.375 12.606 1.00 0.00 N ATOM 689 CA ASN A 468 1.670 -0.922 12.539 1.00 0.00 C ATOM 690 C ASN A 468 0.956 -0.451 11.276 1.00 0.00 C ATOM 691 O ASN A 468 1.246 0.623 10.748 1.00 0.00 O ATOM 692 CB ASN A 468 0.869 -0.510 13.775 1.00 0.00 C ATOM 693 CG ASN A 468 -0.621 -0.441 13.502 1.00 0.00 C ATOM 694 OD1 ASN A 468 -1.110 0.515 12.899 1.00 0.00 O ATOM 695 ND2 ASN A 468 -1.351 -1.458 13.945 1.00 0.00 N ATOM 0 H ASN A 468 3.061 0.637 12.725 1.00 0.00 H new ATOM 0 HA ASN A 468 1.745 -2.009 12.509 1.00 0.00 H new ATOM 0 HB2 ASN A 468 1.056 -1.222 14.579 1.00 0.00 H new ATOM 0 HB3 ASN A 468 1.217 0.463 14.123 1.00 0.00 H new ATOM 0 HD21 ASN A 468 -2.359 -1.468 13.790 1.00 0.00 H new ATOM 0 HD22 ASN A 468 -0.904 -2.229 14.440 1.00 0.00 H new ATOM 702 N CYS A 469 0.019 -1.262 10.796 1.00 0.00 N ATOM 703 CA CYS A 469 -0.738 -0.931 9.595 1.00 0.00 C ATOM 704 C CYS A 469 -2.132 -0.423 9.954 1.00 0.00 C ATOM 705 O CYS A 469 -2.765 -0.923 10.884 1.00 0.00 O ATOM 706 CB CYS A 469 -0.849 -2.154 8.682 1.00 0.00 C ATOM 707 SG CYS A 469 -1.266 -1.757 6.954 1.00 0.00 S ATOM 0 H CYS A 469 -0.234 -2.154 11.221 1.00 0.00 H new ATOM 0 HA CYS A 469 -0.206 -0.140 9.067 1.00 0.00 H new ATOM 0 HB2 CYS A 469 0.097 -2.695 8.701 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -1.608 -2.825 9.083 1.00 0.00 H new ATOM 0 HG CYS A 469 -0.319 -2.181 6.171 1.00 0.00 H new ATOM 712 N ILE A 470 -2.603 0.572 9.210 1.00 0.00 N ATOM 713 CA ILE A 470 -3.921 1.147 9.448 1.00 0.00 C ATOM 714 C ILE A 470 -5.017 0.281 8.836 1.00 0.00 C ATOM 715 O ILE A 470 -6.158 0.291 9.294 1.00 0.00 O ATOM 716 CB ILE A 470 -4.027 2.571 8.873 1.00 0.00 C ATOM 717 CG1 ILE A 470 -5.395 3.174 9.196 1.00 0.00 C ATOM 718 CG2 ILE A 470 -3.790 2.555 7.371 1.00 0.00 C ATOM 719 CD1 ILE A 470 -5.612 3.428 10.671 1.00 0.00 C ATOM 0 H ILE A 470 -2.091 0.997 8.437 1.00 0.00 H new ATOM 0 HA ILE A 470 -4.055 1.190 10.529 1.00 0.00 H new ATOM 0 HB ILE A 470 -3.259 3.192 9.335 1.00 0.00 H new ATOM 0 HG12 ILE A 470 -5.506 4.113 8.654 1.00 0.00 H new ATOM 0 HG13 ILE A 470 -6.173 2.503 8.833 1.00 0.00 H new ATOM 0 HG21 ILE A 470 -3.868 3.569 6.979 1.00 0.00 H new ATOM 0 HG22 ILE A 470 -2.795 2.162 7.164 1.00 0.00 H new ATOM 0 HG23 ILE A 470 -4.537 1.922 6.892 1.00 0.00 H new ATOM 0 HD11 ILE A 470 -6.603 3.856 10.825 1.00 0.00 H new ATOM 0 HD12 ILE A 470 -5.534 2.488 11.217 1.00 0.00 H new ATOM 0 HD13 ILE A 470 -4.856 4.123 11.036 1.00 0.00 H new ATOM 731 N ASN A 471 -4.660 -0.470 7.799 1.00 0.00 N ATOM 732 CA ASN A 471 -5.613 -1.344 7.125 1.00 0.00 C ATOM 733 C ASN A 471 -6.345 -2.229 8.129 1.00 0.00 C ATOM 734 O ASN A 471 -7.572 -2.320 8.113 1.00 0.00 O ATOM 735 CB ASN A 471 -4.896 -2.213 6.090 1.00 0.00 C ATOM 736 CG ASN A 471 -4.462 -1.422 4.871 1.00 0.00 C ATOM 737 OD1 ASN A 471 -3.271 -1.203 4.651 1.00 0.00 O ATOM 738 ND2 ASN A 471 -5.431 -0.989 4.072 1.00 0.00 N ATOM 0 H ASN A 471 -3.718 -0.491 7.408 1.00 0.00 H new ATOM 0 HA ASN A 471 -6.347 -0.717 6.618 1.00 0.00 H new ATOM 0 HB2 ASN A 471 -4.022 -2.675 6.550 1.00 0.00 H new ATOM 0 HB3 ASN A 471 -5.557 -3.022 5.778 1.00 0.00 H new ATOM 0 HD21 ASN A 471 -5.201 -0.451 3.236 1.00 0.00 H new ATOM 0 HD22 ASN A 471 -6.405 -1.194 4.294 1.00 0.00 H new ATOM 745 N GLY A 472 -5.583 -2.879 9.003 1.00 0.00 N ATOM 746 CA GLY A 472 -6.176 -3.748 10.003 1.00 0.00 C ATOM 747 C GLY A 472 -5.528 -5.118 10.038 1.00 0.00 C ATOM 748 O GLY A 472 -4.466 -5.325 9.451 1.00 0.00 O ATOM 0 H GLY A 472 -4.565 -2.819 9.037 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -6.086 -3.282 10.984 1.00 0.00 H new ATOM 0 HA3 GLY A 472 -7.241 -3.858 9.799 1.00 0.00 H new ATOM 752 N ASP A 473 -6.169 -6.055 10.727 1.00 0.00 N ATOM 753 CA ASP A 473 -5.649 -7.413 10.837 1.00 0.00 C ATOM 754 C ASP A 473 -5.691 -8.122 9.487 1.00 0.00 C ATOM 755 O ASP A 473 -4.804 -8.912 9.161 1.00 0.00 O ATOM 756 CB ASP A 473 -6.450 -8.207 11.869 1.00 0.00 C ATOM 757 CG ASP A 473 -6.127 -7.798 13.293 1.00 0.00 C ATOM 758 OD1 ASP A 473 -5.174 -8.362 13.871 1.00 0.00 O ATOM 759 OD2 ASP A 473 -6.826 -6.914 13.829 1.00 0.00 O ATOM 0 H ASP A 473 -7.050 -5.899 11.218 1.00 0.00 H new ATOM 0 HA ASP A 473 -4.611 -7.352 11.163 1.00 0.00 H new ATOM 0 HB2 ASP A 473 -7.515 -8.064 11.686 1.00 0.00 H new ATOM 0 HB3 ASP A 473 -6.245 -9.270 11.744 1.00 0.00 H new ATOM 764 N ASP A 474 -6.727 -7.836 8.707 1.00 0.00 N ATOM 765 CA ASP A 474 -6.885 -8.446 7.392 1.00 0.00 C ATOM 766 C ASP A 474 -6.442 -7.487 6.291 1.00 0.00 C ATOM 767 O ASP A 474 -7.224 -7.136 5.407 1.00 0.00 O ATOM 768 CB ASP A 474 -8.341 -8.860 7.169 1.00 0.00 C ATOM 769 CG ASP A 474 -9.312 -7.725 7.433 1.00 0.00 C ATOM 770 OD1 ASP A 474 -9.073 -6.610 6.926 1.00 0.00 O ATOM 771 OD2 ASP A 474 -10.310 -7.953 8.148 1.00 0.00 O ATOM 0 H ASP A 474 -7.470 -7.186 8.962 1.00 0.00 H new ATOM 0 HA ASP A 474 -6.253 -9.333 7.353 1.00 0.00 H new ATOM 0 HB2 ASP A 474 -8.464 -9.208 6.143 1.00 0.00 H new ATOM 0 HB3 ASP A 474 -8.581 -9.699 7.822 1.00 0.00 H new ATOM 776 N CYS A 475 -5.184 -7.065 6.352 1.00 0.00 N ATOM 777 CA CYS A 475 -4.636 -6.146 5.362 1.00 0.00 C ATOM 778 C CYS A 475 -4.368 -6.863 4.042 1.00 0.00 C ATOM 779 O CYS A 475 -4.059 -8.055 4.023 1.00 0.00 O ATOM 780 CB CYS A 475 -3.344 -5.514 5.882 1.00 0.00 C ATOM 781 SG CYS A 475 -2.570 -4.341 4.723 1.00 0.00 S ATOM 0 H CYS A 475 -4.524 -7.345 7.078 1.00 0.00 H new ATOM 0 HA CYS A 475 -5.372 -5.361 5.186 1.00 0.00 H new ATOM 0 HB2 CYS A 475 -3.556 -4.997 6.818 1.00 0.00 H new ATOM 0 HB3 CYS A 475 -2.631 -6.306 6.110 1.00 0.00 H new ATOM 0 HG CYS A 475 -2.056 -3.349 5.388 1.00 0.00 H new ATOM 786 N MET A 476 -4.489 -6.130 2.941 1.00 0.00 N ATOM 787 CA MET A 476 -4.259 -6.695 1.617 1.00 0.00 C ATOM 788 C MET A 476 -2.766 -6.853 1.345 1.00 0.00 C ATOM 789 O MET A 476 -2.360 -7.201 0.236 1.00 0.00 O ATOM 790 CB MET A 476 -4.894 -5.810 0.543 1.00 0.00 C ATOM 791 CG MET A 476 -4.270 -4.427 0.448 1.00 0.00 C ATOM 792 SD MET A 476 -2.720 -4.427 -0.474 1.00 0.00 S ATOM 793 CE MET A 476 -3.314 -4.736 -2.135 1.00 0.00 C ATOM 0 H MET A 476 -4.745 -5.143 2.939 1.00 0.00 H new ATOM 0 HA MET A 476 -4.723 -7.681 1.585 1.00 0.00 H new ATOM 0 HB2 MET A 476 -4.806 -6.306 -0.424 1.00 0.00 H new ATOM 0 HB3 MET A 476 -5.959 -5.706 0.753 1.00 0.00 H new ATOM 0 HG2 MET A 476 -4.974 -3.747 -0.032 1.00 0.00 H new ATOM 0 HG3 MET A 476 -4.091 -4.044 1.452 1.00 0.00 H new ATOM 0 HE1 MET A 476 -2.527 -4.504 -2.852 1.00 0.00 H new ATOM 0 HE2 MET A 476 -3.595 -5.785 -2.232 1.00 0.00 H new ATOM 0 HE3 MET A 476 -4.182 -4.108 -2.334 1.00 0.00 H new ATOM 803 N PHE A 477 -1.953 -6.595 2.364 1.00 0.00 N ATOM 804 CA PHE A 477 -0.505 -6.707 2.234 1.00 0.00 C ATOM 805 C PHE A 477 0.067 -7.628 3.308 1.00 0.00 C ATOM 806 O PHE A 477 -0.523 -7.798 4.374 1.00 0.00 O ATOM 807 CB PHE A 477 0.145 -5.325 2.332 1.00 0.00 C ATOM 808 CG PHE A 477 0.034 -4.520 1.069 1.00 0.00 C ATOM 809 CD1 PHE A 477 0.397 -5.067 -0.152 1.00 0.00 C ATOM 810 CD2 PHE A 477 -0.434 -3.216 1.102 1.00 0.00 C ATOM 811 CE1 PHE A 477 0.296 -4.328 -1.316 1.00 0.00 C ATOM 812 CE2 PHE A 477 -0.538 -2.473 -0.059 1.00 0.00 C ATOM 813 CZ PHE A 477 -0.171 -3.029 -1.269 1.00 0.00 C ATOM 0 H PHE A 477 -2.272 -6.307 3.289 1.00 0.00 H new ATOM 0 HA PHE A 477 -0.284 -7.136 1.257 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -0.319 -4.771 3.148 1.00 0.00 H new ATOM 0 HB3 PHE A 477 1.198 -5.445 2.586 1.00 0.00 H new ATOM 0 HD1 PHE A 477 0.763 -6.082 -0.194 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -0.721 -2.775 2.045 1.00 0.00 H new ATOM 0 HE1 PHE A 477 0.582 -4.766 -2.261 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -0.906 -1.458 -0.020 1.00 0.00 H new ATOM 0 HZ PHE A 477 -0.249 -2.449 -2.177 1.00 0.00 H new ATOM 823 N SER A 478 1.221 -8.221 3.016 1.00 0.00 N ATOM 824 CA SER A 478 1.872 -9.128 3.954 1.00 0.00 C ATOM 825 C SER A 478 2.636 -8.350 5.022 1.00 0.00 C ATOM 826 O SER A 478 3.253 -7.324 4.736 1.00 0.00 O ATOM 827 CB SER A 478 2.825 -10.066 3.210 1.00 0.00 C ATOM 828 OG SER A 478 2.110 -11.067 2.507 1.00 0.00 O ATOM 0 H SER A 478 1.724 -8.090 2.138 1.00 0.00 H new ATOM 0 HA SER A 478 1.099 -9.720 4.445 1.00 0.00 H new ATOM 0 HB2 SER A 478 3.434 -9.492 2.512 1.00 0.00 H new ATOM 0 HB3 SER A 478 3.508 -10.533 3.919 1.00 0.00 H new ATOM 0 HG SER A 478 1.619 -10.658 1.764 1.00 0.00 H new ATOM 834 N HIS A 479 2.589 -8.847 6.254 1.00 0.00 N ATOM 835 CA HIS A 479 3.276 -8.200 7.365 1.00 0.00 C ATOM 836 C HIS A 479 4.462 -9.038 7.833 1.00 0.00 C ATOM 837 O HIS A 479 4.863 -8.970 8.995 1.00 0.00 O ATOM 838 CB HIS A 479 2.309 -7.971 8.527 1.00 0.00 C ATOM 839 CG HIS A 479 1.309 -6.886 8.270 1.00 0.00 C ATOM 840 ND1 HIS A 479 0.187 -6.696 9.049 1.00 0.00 N ATOM 841 CD2 HIS A 479 1.267 -5.929 7.313 1.00 0.00 C ATOM 842 CE1 HIS A 479 -0.502 -5.671 8.582 1.00 0.00 C ATOM 843 NE2 HIS A 479 0.132 -5.187 7.529 1.00 0.00 N ATOM 0 H HIS A 479 2.083 -9.695 6.508 1.00 0.00 H new ATOM 0 HA HIS A 479 3.649 -7.237 7.017 1.00 0.00 H new ATOM 0 HB2 HIS A 479 1.779 -8.900 8.736 1.00 0.00 H new ATOM 0 HB3 HIS A 479 2.881 -7.722 9.421 1.00 0.00 H new ATOM 0 HD2 HIS A 479 1.991 -5.778 6.526 1.00 0.00 H new ATOM 0 HE1 HIS A 479 -1.427 -5.293 8.991 1.00 0.00 H new ATOM 0 HE2 HIS A 479 -0.172 -4.391 6.968 1.00 0.00 H new ATOM 851 N ASP A 480 5.018 -9.828 6.921 1.00 0.00 N ATOM 852 CA ASP A 480 6.158 -10.679 7.239 1.00 0.00 C ATOM 853 C ASP A 480 7.382 -9.839 7.590 1.00 0.00 C ATOM 854 O ASP A 480 7.526 -8.696 7.157 1.00 0.00 O ATOM 855 CB ASP A 480 6.478 -11.602 6.062 1.00 0.00 C ATOM 856 CG ASP A 480 6.930 -10.837 4.834 1.00 0.00 C ATOM 857 OD1 ASP A 480 6.142 -10.015 4.323 1.00 0.00 O ATOM 858 OD2 ASP A 480 8.073 -11.061 4.382 1.00 0.00 O ATOM 0 H ASP A 480 4.697 -9.897 5.955 1.00 0.00 H new ATOM 0 HA ASP A 480 5.896 -11.286 8.105 1.00 0.00 H new ATOM 0 HB2 ASP A 480 7.258 -12.305 6.356 1.00 0.00 H new ATOM 0 HB3 ASP A 480 5.595 -12.191 5.815 1.00 0.00 H new ATOM 863 N PRO A 481 8.286 -10.417 8.396 1.00 0.00 N ATOM 864 CA PRO A 481 9.513 -9.740 8.823 1.00 0.00 C ATOM 865 C PRO A 481 10.504 -9.558 7.679 1.00 0.00 C ATOM 866 O PRO A 481 11.098 -10.525 7.199 1.00 0.00 O ATOM 867 CB PRO A 481 10.088 -10.682 9.884 1.00 0.00 C ATOM 868 CG PRO A 481 9.543 -12.024 9.533 1.00 0.00 C ATOM 869 CD PRO A 481 8.179 -11.777 8.950 1.00 0.00 C ATOM 0 HA PRO A 481 9.315 -8.733 9.190 1.00 0.00 H new ATOM 0 HB2 PRO A 481 11.178 -10.680 9.866 1.00 0.00 H new ATOM 0 HB3 PRO A 481 9.785 -10.381 10.887 1.00 0.00 H new ATOM 0 HG2 PRO A 481 10.188 -12.532 8.816 1.00 0.00 H new ATOM 0 HG3 PRO A 481 9.481 -12.663 10.414 1.00 0.00 H new ATOM 0 HD2 PRO A 481 7.934 -12.507 8.179 1.00 0.00 H new ATOM 0 HD3 PRO A 481 7.400 -11.841 9.709 1.00 0.00 H new ATOM 877 N LEU A 482 10.679 -8.315 7.245 1.00 0.00 N ATOM 878 CA LEU A 482 11.599 -8.006 6.156 1.00 0.00 C ATOM 879 C LEU A 482 12.873 -8.838 6.268 1.00 0.00 C ATOM 880 O LEU A 482 13.274 -9.236 7.362 1.00 0.00 O ATOM 881 CB LEU A 482 11.946 -6.516 6.162 1.00 0.00 C ATOM 882 CG LEU A 482 10.871 -5.574 5.621 1.00 0.00 C ATOM 883 CD1 LEU A 482 11.291 -4.124 5.803 1.00 0.00 C ATOM 884 CD2 LEU A 482 10.592 -5.870 4.154 1.00 0.00 C ATOM 0 H LEU A 482 10.196 -7.504 7.631 1.00 0.00 H new ATOM 0 HA LEU A 482 11.107 -8.253 5.215 1.00 0.00 H new ATOM 0 HB2 LEU A 482 12.177 -6.221 7.186 1.00 0.00 H new ATOM 0 HB3 LEU A 482 12.854 -6.373 5.577 1.00 0.00 H new ATOM 0 HG LEU A 482 9.953 -5.739 6.186 1.00 0.00 H new ATOM 0 HD11 LEU A 482 10.513 -3.468 5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 482 11.440 -3.919 6.863 1.00 0.00 H new ATOM 0 HD13 LEU A 482 12.222 -3.944 5.265 1.00 0.00 H new ATOM 0 HD21 LEU A 482 9.824 -5.190 3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 482 11.506 -5.734 3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 482 10.246 -6.898 4.050 1.00 0.00 H new ATOM 896 N THR A 483 13.508 -9.094 5.128 1.00 0.00 N ATOM 897 CA THR A 483 14.737 -9.877 5.098 1.00 0.00 C ATOM 898 C THR A 483 15.759 -9.258 4.152 1.00 0.00 C ATOM 899 O THR A 483 15.405 -8.494 3.254 1.00 0.00 O ATOM 900 CB THR A 483 14.467 -11.330 4.664 1.00 0.00 C ATOM 901 OG1 THR A 483 13.846 -11.349 3.374 1.00 0.00 O ATOM 902 CG2 THR A 483 13.575 -12.039 5.673 1.00 0.00 C ATOM 0 H THR A 483 13.191 -8.770 4.214 1.00 0.00 H new ATOM 0 HA THR A 483 15.137 -9.877 6.112 1.00 0.00 H new ATOM 0 HB THR A 483 15.421 -11.855 4.615 1.00 0.00 H new ATOM 0 HG1 THR A 483 13.679 -12.276 3.105 1.00 0.00 H new ATOM 0 HG21 THR A 483 13.398 -13.063 5.345 1.00 0.00 H new ATOM 0 HG22 THR A 483 14.064 -12.049 6.647 1.00 0.00 H new ATOM 0 HG23 THR A 483 12.623 -11.513 5.750 1.00 0.00 H new ATOM 910 N GLU A 484 17.029 -9.594 4.358 1.00 0.00 N ATOM 911 CA GLU A 484 18.103 -9.070 3.522 1.00 0.00 C ATOM 912 C GLU A 484 17.668 -8.997 2.061 1.00 0.00 C ATOM 913 O GLU A 484 18.131 -8.141 1.308 1.00 0.00 O ATOM 914 CB GLU A 484 19.352 -9.943 3.651 1.00 0.00 C ATOM 915 CG GLU A 484 19.140 -11.380 3.206 1.00 0.00 C ATOM 916 CD GLU A 484 20.226 -12.312 3.706 1.00 0.00 C ATOM 917 OE1 GLU A 484 20.391 -12.423 4.939 1.00 0.00 O ATOM 918 OE2 GLU A 484 20.911 -12.931 2.865 1.00 0.00 O ATOM 0 H GLU A 484 17.339 -10.226 5.096 1.00 0.00 H new ATOM 0 HA GLU A 484 18.337 -8.062 3.864 1.00 0.00 H new ATOM 0 HB2 GLU A 484 20.155 -9.503 3.059 1.00 0.00 H new ATOM 0 HB3 GLU A 484 19.682 -9.938 4.690 1.00 0.00 H new ATOM 0 HG2 GLU A 484 18.172 -11.729 3.567 1.00 0.00 H new ATOM 0 HG3 GLU A 484 19.107 -11.418 2.117 1.00 0.00 H new ATOM 925 N GLU A 485 16.777 -9.902 1.669 1.00 0.00 N ATOM 926 CA GLU A 485 16.282 -9.942 0.298 1.00 0.00 C ATOM 927 C GLU A 485 15.175 -8.913 0.090 1.00 0.00 C ATOM 928 O GLU A 485 15.387 -7.873 -0.535 1.00 0.00 O ATOM 929 CB GLU A 485 15.763 -11.341 -0.040 1.00 0.00 C ATOM 930 CG GLU A 485 16.855 -12.309 -0.464 1.00 0.00 C ATOM 931 CD GLU A 485 17.703 -11.771 -1.600 1.00 0.00 C ATOM 932 OE1 GLU A 485 18.700 -11.074 -1.319 1.00 0.00 O ATOM 933 OE2 GLU A 485 17.369 -12.049 -2.771 1.00 0.00 O ATOM 0 H GLU A 485 16.383 -10.617 2.281 1.00 0.00 H new ATOM 0 HA GLU A 485 17.110 -9.699 -0.368 1.00 0.00 H new ATOM 0 HB2 GLU A 485 15.246 -11.748 0.829 1.00 0.00 H new ATOM 0 HB3 GLU A 485 15.027 -11.263 -0.841 1.00 0.00 H new ATOM 0 HG2 GLU A 485 17.495 -12.526 0.391 1.00 0.00 H new ATOM 0 HG3 GLU A 485 16.401 -13.252 -0.769 1.00 0.00 H new ATOM 940 N THR A 486 13.991 -9.210 0.617 1.00 0.00 N ATOM 941 CA THR A 486 12.850 -8.313 0.488 1.00 0.00 C ATOM 942 C THR A 486 13.244 -6.874 0.800 1.00 0.00 C ATOM 943 O THR A 486 12.912 -5.954 0.053 1.00 0.00 O ATOM 944 CB THR A 486 11.698 -8.732 1.422 1.00 0.00 C ATOM 945 OG1 THR A 486 12.116 -8.637 2.788 1.00 0.00 O ATOM 946 CG2 THR A 486 11.248 -10.154 1.122 1.00 0.00 C ATOM 0 H THR A 486 13.798 -10.066 1.137 1.00 0.00 H new ATOM 0 HA THR A 486 12.512 -8.378 -0.546 1.00 0.00 H new ATOM 0 HB THR A 486 10.858 -8.058 1.252 1.00 0.00 H new ATOM 0 HG1 THR A 486 11.722 -9.372 3.302 1.00 0.00 H new ATOM 0 HG21 THR A 486 10.434 -10.427 1.794 1.00 0.00 H new ATOM 0 HG22 THR A 486 10.903 -10.216 0.090 1.00 0.00 H new ATOM 0 HG23 THR A 486 12.084 -10.838 1.267 1.00 0.00 H new ATOM 954 N ARG A 487 13.953 -6.686 1.908 1.00 0.00 N ATOM 955 CA ARG A 487 14.392 -5.358 2.319 1.00 0.00 C ATOM 956 C ARG A 487 14.828 -4.532 1.112 1.00 0.00 C ATOM 957 O ARG A 487 14.440 -3.374 0.968 1.00 0.00 O ATOM 958 CB ARG A 487 15.543 -5.465 3.321 1.00 0.00 C ATOM 959 CG ARG A 487 15.589 -4.321 4.320 1.00 0.00 C ATOM 960 CD ARG A 487 15.918 -3.000 3.641 1.00 0.00 C ATOM 961 NE ARG A 487 16.076 -1.914 4.605 1.00 0.00 N ATOM 962 CZ ARG A 487 17.199 -1.682 5.274 1.00 0.00 C ATOM 963 NH1 ARG A 487 18.259 -2.457 5.085 1.00 0.00 N ATOM 964 NH2 ARG A 487 17.265 -0.674 6.134 1.00 0.00 N ATOM 0 H ARG A 487 14.236 -7.437 2.538 1.00 0.00 H new ATOM 0 HA ARG A 487 13.550 -4.856 2.796 1.00 0.00 H new ATOM 0 HB2 ARG A 487 15.455 -6.406 3.863 1.00 0.00 H new ATOM 0 HB3 ARG A 487 16.486 -5.498 2.776 1.00 0.00 H new ATOM 0 HG2 ARG A 487 14.628 -4.241 4.827 1.00 0.00 H new ATOM 0 HG3 ARG A 487 16.336 -4.534 5.085 1.00 0.00 H new ATOM 0 HD2 ARG A 487 16.836 -3.108 3.063 1.00 0.00 H new ATOM 0 HD3 ARG A 487 15.126 -2.747 2.937 1.00 0.00 H new ATOM 0 HE ARG A 487 15.279 -1.300 4.774 1.00 0.00 H new ATOM 0 HH11 ARG A 487 18.212 -3.233 4.425 1.00 0.00 H new ATOM 0 HH12 ARG A 487 19.121 -2.277 5.600 1.00 0.00 H new ATOM 0 HH21 ARG A 487 16.452 -0.076 6.282 1.00 0.00 H new ATOM 0 HH22 ARG A 487 18.129 -0.497 6.647 1.00 0.00 H new ATOM 978 N GLU A 488 15.638 -5.138 0.249 1.00 0.00 N ATOM 979 CA GLU A 488 16.128 -4.458 -0.944 1.00 0.00 C ATOM 980 C GLU A 488 14.968 -3.960 -1.801 1.00 0.00 C ATOM 981 O GLU A 488 15.007 -2.850 -2.335 1.00 0.00 O ATOM 982 CB GLU A 488 17.017 -5.395 -1.764 1.00 0.00 C ATOM 983 CG GLU A 488 18.439 -5.500 -1.239 1.00 0.00 C ATOM 984 CD GLU A 488 19.304 -4.327 -1.659 1.00 0.00 C ATOM 985 OE1 GLU A 488 18.780 -3.195 -1.722 1.00 0.00 O ATOM 986 OE2 GLU A 488 20.505 -4.542 -1.926 1.00 0.00 O ATOM 0 H GLU A 488 15.968 -6.097 0.354 1.00 0.00 H new ATOM 0 HA GLU A 488 16.717 -3.598 -0.625 1.00 0.00 H new ATOM 0 HB2 GLU A 488 16.569 -6.389 -1.776 1.00 0.00 H new ATOM 0 HB3 GLU A 488 17.045 -5.045 -2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 488 18.417 -5.559 -0.151 1.00 0.00 H new ATOM 0 HG3 GLU A 488 18.888 -6.425 -1.600 1.00 0.00 H new ATOM 993 N LEU A 489 13.937 -4.788 -1.930 1.00 0.00 N ATOM 994 CA LEU A 489 12.765 -4.433 -2.723 1.00 0.00 C ATOM 995 C LEU A 489 12.279 -3.029 -2.378 1.00 0.00 C ATOM 996 O LEU A 489 12.289 -2.132 -3.223 1.00 0.00 O ATOM 997 CB LEU A 489 11.642 -5.446 -2.490 1.00 0.00 C ATOM 998 CG LEU A 489 11.956 -6.894 -2.867 1.00 0.00 C ATOM 999 CD1 LEU A 489 10.733 -7.775 -2.664 1.00 0.00 C ATOM 1000 CD2 LEU A 489 12.442 -6.977 -4.306 1.00 0.00 C ATOM 0 H LEU A 489 13.889 -5.710 -1.496 1.00 0.00 H new ATOM 0 HA LEU A 489 13.049 -4.450 -3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 489 11.367 -5.418 -1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 489 10.767 -5.126 -3.056 1.00 0.00 H new ATOM 0 HG LEU A 489 12.751 -7.255 -2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 489 10.975 -8.802 -2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 489 10.429 -7.740 -1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 489 9.917 -7.415 -3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 489 12.661 -8.015 -4.557 1.00 0.00 H new ATOM 0 HD22 LEU A 489 11.669 -6.598 -4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 489 13.346 -6.378 -4.420 1.00 0.00 H new ATOM 1012 N LEU A 490 11.857 -2.844 -1.132 1.00 0.00 N ATOM 1013 CA LEU A 490 11.369 -1.548 -0.674 1.00 0.00 C ATOM 1014 C LEU A 490 12.216 -0.415 -1.243 1.00 0.00 C ATOM 1015 O LEU A 490 11.712 0.454 -1.955 1.00 0.00 O ATOM 1016 CB LEU A 490 11.377 -1.489 0.854 1.00 0.00 C ATOM 1017 CG LEU A 490 10.299 -2.309 1.564 1.00 0.00 C ATOM 1018 CD1 LEU A 490 10.584 -2.387 3.056 1.00 0.00 C ATOM 1019 CD2 LEU A 490 8.923 -1.710 1.313 1.00 0.00 C ATOM 0 H LEU A 490 11.843 -3.575 -0.421 1.00 0.00 H new ATOM 0 HA LEU A 490 10.346 -1.426 -1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 490 12.352 -1.827 1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 490 11.272 -0.448 1.158 1.00 0.00 H new ATOM 0 HG LEU A 490 10.313 -3.321 1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 490 9.807 -2.974 3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 490 11.552 -2.861 3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 490 10.598 -1.382 3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 490 8.168 -2.306 1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 490 8.897 -0.688 1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 490 8.717 -1.706 0.243 1.00 0.00 H new ATOM 1031 N ASP A 491 13.506 -0.432 -0.926 1.00 0.00 N ATOM 1032 CA ASP A 491 14.425 0.593 -1.408 1.00 0.00 C ATOM 1033 C ASP A 491 14.126 0.952 -2.860 1.00 0.00 C ATOM 1034 O ASP A 491 14.072 2.127 -3.222 1.00 0.00 O ATOM 1035 CB ASP A 491 15.872 0.113 -1.276 1.00 0.00 C ATOM 1036 CG ASP A 491 16.377 0.182 0.151 1.00 0.00 C ATOM 1037 OD1 ASP A 491 15.946 1.093 0.890 1.00 0.00 O ATOM 1038 OD2 ASP A 491 17.201 -0.675 0.531 1.00 0.00 O ATOM 0 H ASP A 491 13.939 -1.144 -0.338 1.00 0.00 H new ATOM 0 HA ASP A 491 14.288 1.485 -0.797 1.00 0.00 H new ATOM 0 HB2 ASP A 491 15.945 -0.914 -1.635 1.00 0.00 H new ATOM 0 HB3 ASP A 491 16.513 0.721 -1.915 1.00 0.00 H new ATOM 1043 N LYS A 492 13.932 -0.069 -3.689 1.00 0.00 N ATOM 1044 CA LYS A 492 13.638 0.137 -5.102 1.00 0.00 C ATOM 1045 C LYS A 492 12.219 0.665 -5.291 1.00 0.00 C ATOM 1046 O LYS A 492 12.001 1.646 -6.000 1.00 0.00 O ATOM 1047 CB LYS A 492 13.814 -1.170 -5.877 1.00 0.00 C ATOM 1048 CG LYS A 492 13.994 -0.972 -7.372 1.00 0.00 C ATOM 1049 CD LYS A 492 14.408 -2.262 -8.060 1.00 0.00 C ATOM 1050 CE LYS A 492 14.666 -2.045 -9.543 1.00 0.00 C ATOM 1051 NZ LYS A 492 15.888 -1.227 -9.780 1.00 0.00 N ATOM 0 H LYS A 492 13.973 -1.048 -3.406 1.00 0.00 H new ATOM 0 HA LYS A 492 14.338 0.878 -5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 492 14.680 -1.702 -5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 492 12.944 -1.804 -5.705 1.00 0.00 H new ATOM 0 HG2 LYS A 492 13.062 -0.610 -7.807 1.00 0.00 H new ATOM 0 HG3 LYS A 492 14.748 -0.205 -7.550 1.00 0.00 H new ATOM 0 HD2 LYS A 492 15.308 -2.655 -7.587 1.00 0.00 H new ATOM 0 HD3 LYS A 492 13.627 -3.011 -7.931 1.00 0.00 H new ATOM 0 HE2 LYS A 492 14.774 -3.010 -10.038 1.00 0.00 H new ATOM 0 HE3 LYS A 492 13.805 -1.550 -9.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 16.135 -1.256 -10.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 15.707 -0.243 -9.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 16.676 -1.610 -9.220 1.00 0.00 H new ATOM 1065 N MET A 493 11.258 0.007 -4.650 1.00 0.00 N ATOM 1066 CA MET A 493 9.860 0.413 -4.746 1.00 0.00 C ATOM 1067 C MET A 493 9.712 1.913 -4.515 1.00 0.00 C ATOM 1068 O MET A 493 9.220 2.639 -5.379 1.00 0.00 O ATOM 1069 CB MET A 493 9.013 -0.357 -3.731 1.00 0.00 C ATOM 1070 CG MET A 493 7.524 -0.326 -4.035 1.00 0.00 C ATOM 1071 SD MET A 493 6.741 1.213 -3.518 1.00 0.00 S ATOM 1072 CE MET A 493 6.497 0.899 -1.771 1.00 0.00 C ATOM 0 H MET A 493 11.421 -0.808 -4.059 1.00 0.00 H new ATOM 0 HA MET A 493 9.509 0.182 -5.752 1.00 0.00 H new ATOM 0 HB2 MET A 493 9.348 -1.394 -3.702 1.00 0.00 H new ATOM 0 HB3 MET A 493 9.182 0.060 -2.738 1.00 0.00 H new ATOM 0 HG2 MET A 493 7.373 -0.464 -5.106 1.00 0.00 H new ATOM 0 HG3 MET A 493 7.037 -1.163 -3.534 1.00 0.00 H new ATOM 0 HE1 MET A 493 6.815 1.769 -1.197 1.00 0.00 H new ATOM 0 HE2 MET A 493 5.442 0.704 -1.580 1.00 0.00 H new ATOM 0 HE3 MET A 493 7.086 0.032 -1.471 1.00 0.00 H new ATOM 1082 N LEU A 494 10.141 2.372 -3.344 1.00 0.00 N ATOM 1083 CA LEU A 494 10.056 3.787 -2.999 1.00 0.00 C ATOM 1084 C LEU A 494 10.539 4.659 -4.153 1.00 0.00 C ATOM 1085 O LEU A 494 9.886 5.634 -4.523 1.00 0.00 O ATOM 1086 CB LEU A 494 10.883 4.077 -1.745 1.00 0.00 C ATOM 1087 CG LEU A 494 10.224 3.724 -0.411 1.00 0.00 C ATOM 1088 CD1 LEU A 494 9.045 4.645 -0.138 1.00 0.00 C ATOM 1089 CD2 LEU A 494 9.780 2.269 -0.403 1.00 0.00 C ATOM 0 H LEU A 494 10.551 1.785 -2.618 1.00 0.00 H new ATOM 0 HA LEU A 494 9.011 4.025 -2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 494 11.823 3.530 -1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 494 11.132 5.138 -1.735 1.00 0.00 H new ATOM 0 HG LEU A 494 10.958 3.863 0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 494 8.589 4.379 0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 494 9.391 5.678 -0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 494 8.309 4.539 -0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 494 9.313 2.036 0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 494 9.062 2.103 -1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 494 10.646 1.624 -0.551 1.00 0.00 H new