USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=20 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= 1.06 USER MOD Set 1.2: A 486 THR OG1 : rot -84:sc= 1.84 USER MOD Set 2.1: A 460 CYS SG : rot 66:sc= 0.604 USER MOD Set 2.2: A 469 CYS SG : rot 119:sc= 0.852 USER MOD Set 2.3: A 475 CYS SG : rot 135:sc= -1 USER MOD Set 2.4: A 479 HIS : no HD1:sc= -0.0506 X(o=0.4,f=-0.017) USER MOD Set 3.1: A 461 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 493 MET CE :methyl -123:sc= -0.571 (180deg=-2.93!) USER MOD Set 4.1: A 438 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 453 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 440 TYR OH : rot 180:sc= -0.437 USER MOD Set 5.2: A 476 MET CE :methyl 161:sc= -3.87! (180deg=-4.69!) USER MOD Set 6.1: A 437 CYS SG : rot 138:sc= 0.96 USER MOD Set 6.2: A 445 CYS SG : rot -90:sc= 1.15 USER MOD Set 6.3: A 451 CYS SG : rot -174:sc= 1.75 USER MOD Set 6.4: A 455 HIS : no HE2:sc= -1.2! C(o=2.7!,f=-3.1!) USER MOD Single : A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 450 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 454 MET CE :methyl -165:sc= -2.66 (180deg=-3.99!) USER MOD Single : A 463 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 HIS : no HE2:sc= -4.5! K(o=-4.5!,f=-3.9) USER MOD Single : A 465 THR OG1 : rot -37:sc= 0.0361 USER MOD Single : A 466 THR OG1 : rot 180:sc= 0 USER MOD Single : A 468 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 471 ASN : amide:sc= -1.18 K(o=-1.2,f=-1.9) USER MOD Single : A 478 SER OG : rot 91:sc= 0.518 USER MOD Single : A 492 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 136 N LYS A 433 9.703 -10.264 -11.782 1.00 0.00 N ATOM 137 CA LYS A 433 9.812 -8.958 -11.144 1.00 0.00 C ATOM 138 C LYS A 433 9.262 -8.999 -9.722 1.00 0.00 C ATOM 139 O LYS A 433 8.163 -9.502 -9.486 1.00 0.00 O ATOM 140 CB LYS A 433 9.063 -7.904 -11.962 1.00 0.00 C ATOM 141 CG LYS A 433 9.721 -7.587 -13.294 1.00 0.00 C ATOM 142 CD LYS A 433 9.401 -6.173 -13.751 1.00 0.00 C ATOM 143 CE LYS A 433 9.493 -6.043 -15.264 1.00 0.00 C ATOM 144 NZ LYS A 433 10.902 -5.897 -15.723 1.00 0.00 N ATOM 0 HA LYS A 433 10.868 -8.691 -11.098 1.00 0.00 H new ATOM 0 HB2 LYS A 433 8.046 -8.252 -12.142 1.00 0.00 H new ATOM 0 HB3 LYS A 433 8.988 -6.988 -11.376 1.00 0.00 H new ATOM 0 HG2 LYS A 433 10.801 -7.706 -13.205 1.00 0.00 H new ATOM 0 HG3 LYS A 433 9.383 -8.299 -14.047 1.00 0.00 H new ATOM 0 HD2 LYS A 433 8.398 -5.901 -13.421 1.00 0.00 H new ATOM 0 HD3 LYS A 433 10.092 -5.472 -13.282 1.00 0.00 H new ATOM 0 HE2 LYS A 433 9.048 -6.921 -15.732 1.00 0.00 H new ATOM 0 HE3 LYS A 433 8.913 -5.180 -15.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 10.922 -5.811 -16.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 11.319 -5.045 -15.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 11.450 -6.733 -15.434 1.00 0.00 H new ATOM 158 N ARG A 434 10.032 -8.467 -8.779 1.00 0.00 N ATOM 159 CA ARG A 434 9.620 -8.443 -7.380 1.00 0.00 C ATOM 160 C ARG A 434 9.192 -7.039 -6.963 1.00 0.00 C ATOM 161 O ARG A 434 9.568 -6.557 -5.895 1.00 0.00 O ATOM 162 CB ARG A 434 10.760 -8.928 -6.483 1.00 0.00 C ATOM 163 CG ARG A 434 10.756 -10.430 -6.250 1.00 0.00 C ATOM 164 CD ARG A 434 11.500 -11.166 -7.353 1.00 0.00 C ATOM 165 NE ARG A 434 11.766 -12.558 -6.999 1.00 0.00 N ATOM 166 CZ ARG A 434 12.768 -13.267 -7.508 1.00 0.00 C ATOM 167 NH1 ARG A 434 13.593 -12.718 -8.388 1.00 0.00 N ATOM 168 NH2 ARG A 434 12.945 -14.528 -7.136 1.00 0.00 N ATOM 0 H ARG A 434 10.944 -8.047 -8.958 1.00 0.00 H new ATOM 0 HA ARG A 434 8.767 -9.112 -7.267 1.00 0.00 H new ATOM 0 HB2 ARG A 434 11.711 -8.641 -6.932 1.00 0.00 H new ATOM 0 HB3 ARG A 434 10.695 -8.420 -5.521 1.00 0.00 H new ATOM 0 HG2 ARG A 434 11.218 -10.651 -5.288 1.00 0.00 H new ATOM 0 HG3 ARG A 434 9.728 -10.789 -6.201 1.00 0.00 H new ATOM 0 HD2 ARG A 434 10.914 -11.131 -8.271 1.00 0.00 H new ATOM 0 HD3 ARG A 434 12.442 -10.657 -7.557 1.00 0.00 H new ATOM 0 HE ARG A 434 11.149 -13.010 -6.324 1.00 0.00 H new ATOM 0 HH11 ARG A 434 13.460 -11.749 -8.676 1.00 0.00 H new ATOM 0 HH12 ARG A 434 14.361 -13.265 -8.777 1.00 0.00 H new ATOM 0 HH21 ARG A 434 12.312 -14.954 -6.459 1.00 0.00 H new ATOM 0 HH22 ARG A 434 13.714 -15.072 -7.527 1.00 0.00 H new ATOM 182 N GLU A 435 8.405 -6.388 -7.814 1.00 0.00 N ATOM 183 CA GLU A 435 7.927 -5.039 -7.534 1.00 0.00 C ATOM 184 C GLU A 435 6.415 -5.028 -7.335 1.00 0.00 C ATOM 185 O GLU A 435 5.699 -5.869 -7.880 1.00 0.00 O ATOM 186 CB GLU A 435 8.310 -4.092 -8.673 1.00 0.00 C ATOM 187 CG GLU A 435 9.803 -4.046 -8.951 1.00 0.00 C ATOM 188 CD GLU A 435 10.243 -2.729 -9.560 1.00 0.00 C ATOM 189 OE1 GLU A 435 9.562 -1.709 -9.325 1.00 0.00 O ATOM 190 OE2 GLU A 435 11.269 -2.719 -10.272 1.00 0.00 O ATOM 0 H GLU A 435 8.085 -6.773 -8.703 1.00 0.00 H new ATOM 0 HA GLU A 435 8.399 -4.697 -6.613 1.00 0.00 H new ATOM 0 HB2 GLU A 435 7.789 -4.399 -9.580 1.00 0.00 H new ATOM 0 HB3 GLU A 435 7.963 -3.087 -8.431 1.00 0.00 H new ATOM 0 HG2 GLU A 435 10.347 -4.212 -8.021 1.00 0.00 H new ATOM 0 HG3 GLU A 435 10.068 -4.860 -9.625 1.00 0.00 H new ATOM 197 N LEU A 436 5.935 -4.070 -6.549 1.00 0.00 N ATOM 198 CA LEU A 436 4.507 -3.948 -6.277 1.00 0.00 C ATOM 199 C LEU A 436 3.731 -3.651 -7.556 1.00 0.00 C ATOM 200 O LEU A 436 3.895 -2.591 -8.162 1.00 0.00 O ATOM 201 CB LEU A 436 4.256 -2.845 -5.247 1.00 0.00 C ATOM 202 CG LEU A 436 2.814 -2.694 -4.762 1.00 0.00 C ATOM 203 CD1 LEU A 436 2.398 -3.905 -3.941 1.00 0.00 C ATOM 204 CD2 LEU A 436 2.655 -1.417 -3.951 1.00 0.00 C ATOM 0 H LEU A 436 6.514 -3.367 -6.089 1.00 0.00 H new ATOM 0 HA LEU A 436 4.157 -4.899 -5.875 1.00 0.00 H new ATOM 0 HB2 LEU A 436 4.891 -3.033 -4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 436 4.575 -1.895 -5.677 1.00 0.00 H new ATOM 0 HG LEU A 436 2.162 -2.630 -5.633 1.00 0.00 H new ATOM 0 HD11 LEU A 436 1.369 -3.780 -3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 436 2.473 -4.803 -4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 436 3.054 -4.001 -3.076 1.00 0.00 H new ATOM 0 HD21 LEU A 436 1.622 -1.326 -3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 436 3.317 -1.451 -3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 436 2.911 -0.558 -4.571 1.00 0.00 H new ATOM 216 N CYS A 437 2.885 -4.592 -7.961 1.00 0.00 N ATOM 217 CA CYS A 437 2.082 -4.431 -9.167 1.00 0.00 C ATOM 218 C CYS A 437 1.162 -3.219 -9.051 1.00 0.00 C ATOM 219 O CYS A 437 0.476 -3.040 -8.044 1.00 0.00 O ATOM 220 CB CYS A 437 1.254 -5.691 -9.426 1.00 0.00 C ATOM 221 SG CYS A 437 0.611 -5.822 -11.125 1.00 0.00 S ATOM 0 H CYS A 437 2.738 -5.475 -7.471 1.00 0.00 H new ATOM 0 HA CYS A 437 2.760 -4.271 -10.006 1.00 0.00 H new ATOM 0 HB2 CYS A 437 1.868 -6.566 -9.213 1.00 0.00 H new ATOM 0 HB3 CYS A 437 0.416 -5.712 -8.729 1.00 0.00 H new ATOM 0 HG CYS A 437 0.740 -7.046 -11.545 1.00 0.00 H new ATOM 226 N LYS A 438 1.153 -2.388 -10.088 1.00 0.00 N ATOM 227 CA LYS A 438 0.317 -1.194 -10.105 1.00 0.00 C ATOM 228 C LYS A 438 -1.118 -1.539 -10.488 1.00 0.00 C ATOM 229 O LYS A 438 -1.908 -0.660 -10.833 1.00 0.00 O ATOM 230 CB LYS A 438 0.884 -0.163 -11.084 1.00 0.00 C ATOM 231 CG LYS A 438 0.882 -0.632 -12.529 1.00 0.00 C ATOM 232 CD LYS A 438 2.253 -1.131 -12.954 1.00 0.00 C ATOM 233 CE LYS A 438 2.159 -2.071 -14.146 1.00 0.00 C ATOM 234 NZ LYS A 438 3.363 -2.939 -14.264 1.00 0.00 N ATOM 0 H LYS A 438 1.716 -2.520 -10.928 1.00 0.00 H new ATOM 0 HA LYS A 438 0.314 -0.769 -9.101 1.00 0.00 H new ATOM 0 HB2 LYS A 438 0.303 0.756 -11.008 1.00 0.00 H new ATOM 0 HB3 LYS A 438 1.905 0.081 -10.791 1.00 0.00 H new ATOM 0 HG2 LYS A 438 0.149 -1.429 -12.653 1.00 0.00 H new ATOM 0 HG3 LYS A 438 0.575 0.188 -13.178 1.00 0.00 H new ATOM 0 HD2 LYS A 438 2.888 -0.282 -13.208 1.00 0.00 H new ATOM 0 HD3 LYS A 438 2.729 -1.646 -12.120 1.00 0.00 H new ATOM 0 HE2 LYS A 438 1.270 -2.694 -14.048 1.00 0.00 H new ATOM 0 HE3 LYS A 438 2.040 -1.488 -15.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 3.260 -3.565 -15.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 4.209 -2.345 -14.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 3.462 -3.514 -13.403 1.00 0.00 H new ATOM 248 N PHE A 439 -1.450 -2.825 -10.425 1.00 0.00 N ATOM 249 CA PHE A 439 -2.791 -3.286 -10.765 1.00 0.00 C ATOM 250 C PHE A 439 -3.441 -3.990 -9.578 1.00 0.00 C ATOM 251 O PHE A 439 -4.645 -3.862 -9.350 1.00 0.00 O ATOM 252 CB PHE A 439 -2.738 -4.232 -11.967 1.00 0.00 C ATOM 253 CG PHE A 439 -2.614 -3.521 -13.284 1.00 0.00 C ATOM 254 CD1 PHE A 439 -3.622 -2.680 -13.730 1.00 0.00 C ATOM 255 CD2 PHE A 439 -1.491 -3.693 -14.077 1.00 0.00 C ATOM 256 CE1 PHE A 439 -3.511 -2.024 -14.942 1.00 0.00 C ATOM 257 CE2 PHE A 439 -1.374 -3.039 -15.289 1.00 0.00 C ATOM 258 CZ PHE A 439 -2.386 -2.205 -15.722 1.00 0.00 C ATOM 0 H PHE A 439 -0.809 -3.566 -10.142 1.00 0.00 H new ATOM 0 HA PHE A 439 -3.394 -2.415 -11.023 1.00 0.00 H new ATOM 0 HB2 PHE A 439 -1.893 -4.910 -11.848 1.00 0.00 H new ATOM 0 HB3 PHE A 439 -3.640 -4.845 -11.977 1.00 0.00 H new ATOM 0 HD1 PHE A 439 -4.504 -2.536 -13.124 1.00 0.00 H new ATOM 0 HD2 PHE A 439 -0.698 -4.346 -13.744 1.00 0.00 H new ATOM 0 HE1 PHE A 439 -4.303 -1.371 -15.278 1.00 0.00 H new ATOM 0 HE2 PHE A 439 -0.492 -3.180 -15.897 1.00 0.00 H new ATOM 0 HZ PHE A 439 -2.298 -1.695 -16.670 1.00 0.00 H new ATOM 268 N TYR A 440 -2.638 -4.733 -8.826 1.00 0.00 N ATOM 269 CA TYR A 440 -3.134 -5.461 -7.664 1.00 0.00 C ATOM 270 C TYR A 440 -3.555 -4.498 -6.558 1.00 0.00 C ATOM 271 O TYR A 440 -4.525 -4.745 -5.841 1.00 0.00 O ATOM 272 CB TYR A 440 -2.064 -6.420 -7.140 1.00 0.00 C ATOM 273 CG TYR A 440 -2.457 -7.127 -5.863 1.00 0.00 C ATOM 274 CD1 TYR A 440 -3.620 -7.884 -5.796 1.00 0.00 C ATOM 275 CD2 TYR A 440 -1.667 -7.038 -4.725 1.00 0.00 C ATOM 276 CE1 TYR A 440 -3.984 -8.532 -4.631 1.00 0.00 C ATOM 277 CE2 TYR A 440 -2.022 -7.684 -3.556 1.00 0.00 C ATOM 278 CZ TYR A 440 -3.181 -8.429 -3.514 1.00 0.00 C ATOM 279 OH TYR A 440 -3.540 -9.072 -2.352 1.00 0.00 O ATOM 0 H TYR A 440 -1.640 -4.847 -9.000 1.00 0.00 H new ATOM 0 HA TYR A 440 -4.007 -6.036 -7.973 1.00 0.00 H new ATOM 0 HB2 TYR A 440 -1.849 -7.165 -7.906 1.00 0.00 H new ATOM 0 HB3 TYR A 440 -1.142 -5.864 -6.969 1.00 0.00 H new ATOM 0 HD1 TYR A 440 -4.250 -7.967 -6.669 1.00 0.00 H new ATOM 0 HD2 TYR A 440 -0.759 -6.454 -4.754 1.00 0.00 H new ATOM 0 HE1 TYR A 440 -4.892 -9.116 -4.595 1.00 0.00 H new ATOM 0 HE2 TYR A 440 -1.395 -7.606 -2.680 1.00 0.00 H new ATOM 0 HH TYR A 440 -2.867 -8.899 -1.661 1.00 0.00 H new ATOM 289 N ILE A 441 -2.819 -3.400 -6.427 1.00 0.00 N ATOM 290 CA ILE A 441 -3.117 -2.398 -5.410 1.00 0.00 C ATOM 291 C ILE A 441 -4.615 -2.124 -5.330 1.00 0.00 C ATOM 292 O ILE A 441 -5.149 -1.837 -4.258 1.00 0.00 O ATOM 293 CB ILE A 441 -2.378 -1.076 -5.689 1.00 0.00 C ATOM 294 CG1 ILE A 441 -0.867 -1.311 -5.736 1.00 0.00 C ATOM 295 CG2 ILE A 441 -2.726 -0.041 -4.630 1.00 0.00 C ATOM 296 CD1 ILE A 441 -0.090 -0.135 -6.286 1.00 0.00 C ATOM 0 H ILE A 441 -2.012 -3.181 -7.012 1.00 0.00 H new ATOM 0 HA ILE A 441 -2.773 -2.803 -4.458 1.00 0.00 H new ATOM 0 HB ILE A 441 -2.698 -0.696 -6.659 1.00 0.00 H new ATOM 0 HG12 ILE A 441 -0.510 -1.533 -4.730 1.00 0.00 H new ATOM 0 HG13 ILE A 441 -0.663 -2.189 -6.348 1.00 0.00 H new ATOM 0 HG21 ILE A 441 -2.196 0.888 -4.841 1.00 0.00 H new ATOM 0 HG22 ILE A 441 -3.800 0.144 -4.641 1.00 0.00 H new ATOM 0 HG23 ILE A 441 -2.432 -0.412 -3.648 1.00 0.00 H new ATOM 0 HD11 ILE A 441 0.974 -0.372 -6.290 1.00 0.00 H new ATOM 0 HD12 ILE A 441 -0.419 0.075 -7.304 1.00 0.00 H new ATOM 0 HD13 ILE A 441 -0.264 0.741 -5.661 1.00 0.00 H new ATOM 308 N THR A 442 -5.289 -2.215 -6.472 1.00 0.00 N ATOM 309 CA THR A 442 -6.726 -1.977 -6.532 1.00 0.00 C ATOM 310 C THR A 442 -7.498 -3.290 -6.602 1.00 0.00 C ATOM 311 O THR A 442 -8.577 -3.418 -6.026 1.00 0.00 O ATOM 312 CB THR A 442 -7.101 -1.109 -7.748 1.00 0.00 C ATOM 313 OG1 THR A 442 -6.552 -1.675 -8.943 1.00 0.00 O ATOM 314 CG2 THR A 442 -6.592 0.314 -7.574 1.00 0.00 C ATOM 0 H THR A 442 -4.863 -2.452 -7.368 1.00 0.00 H new ATOM 0 HA THR A 442 -6.997 -1.447 -5.619 1.00 0.00 H new ATOM 0 HB THR A 442 -8.188 -1.083 -7.826 1.00 0.00 H new ATOM 0 HG1 THR A 442 -6.797 -1.118 -9.711 1.00 0.00 H new ATOM 0 HG21 THR A 442 -6.869 0.908 -8.445 1.00 0.00 H new ATOM 0 HG22 THR A 442 -7.035 0.752 -6.680 1.00 0.00 H new ATOM 0 HG23 THR A 442 -5.507 0.302 -7.472 1.00 0.00 H new ATOM 322 N GLY A 443 -6.936 -4.264 -7.312 1.00 0.00 N ATOM 323 CA GLY A 443 -7.586 -5.555 -7.443 1.00 0.00 C ATOM 324 C GLY A 443 -7.890 -5.907 -8.886 1.00 0.00 C ATOM 325 O GLY A 443 -8.270 -7.038 -9.190 1.00 0.00 O ATOM 0 H GLY A 443 -6.043 -4.182 -7.798 1.00 0.00 H new ATOM 0 HA2 GLY A 443 -6.947 -6.325 -7.011 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -8.513 -5.551 -6.870 1.00 0.00 H new ATOM 329 N PHE A 444 -7.725 -4.936 -9.777 1.00 0.00 N ATOM 330 CA PHE A 444 -7.987 -5.148 -11.196 1.00 0.00 C ATOM 331 C PHE A 444 -6.689 -5.399 -11.958 1.00 0.00 C ATOM 332 O PHE A 444 -6.091 -4.474 -12.510 1.00 0.00 O ATOM 333 CB PHE A 444 -8.714 -3.938 -11.789 1.00 0.00 C ATOM 334 CG PHE A 444 -8.633 -3.865 -13.287 1.00 0.00 C ATOM 335 CD1 PHE A 444 -9.059 -4.926 -14.069 1.00 0.00 C ATOM 336 CD2 PHE A 444 -8.131 -2.736 -13.912 1.00 0.00 C ATOM 337 CE1 PHE A 444 -8.987 -4.862 -15.448 1.00 0.00 C ATOM 338 CE2 PHE A 444 -8.057 -2.666 -15.291 1.00 0.00 C ATOM 339 CZ PHE A 444 -8.484 -3.731 -16.059 1.00 0.00 C ATOM 0 H PHE A 444 -7.411 -3.994 -9.542 1.00 0.00 H new ATOM 0 HA PHE A 444 -8.621 -6.029 -11.295 1.00 0.00 H new ATOM 0 HB2 PHE A 444 -9.762 -3.972 -11.491 1.00 0.00 H new ATOM 0 HB3 PHE A 444 -8.291 -3.027 -11.365 1.00 0.00 H new ATOM 0 HD1 PHE A 444 -9.452 -5.814 -13.596 1.00 0.00 H new ATOM 0 HD2 PHE A 444 -7.794 -1.901 -13.316 1.00 0.00 H new ATOM 0 HE1 PHE A 444 -9.324 -5.696 -16.046 1.00 0.00 H new ATOM 0 HE2 PHE A 444 -7.666 -1.779 -15.767 1.00 0.00 H new ATOM 0 HZ PHE A 444 -8.425 -3.679 -17.136 1.00 0.00 H new ATOM 349 N CYS A 445 -6.258 -6.655 -11.982 1.00 0.00 N ATOM 350 CA CYS A 445 -5.030 -7.030 -12.674 1.00 0.00 C ATOM 351 C CYS A 445 -5.310 -8.071 -13.753 1.00 0.00 C ATOM 352 O CYS A 445 -5.635 -9.220 -13.452 1.00 0.00 O ATOM 353 CB CYS A 445 -4.005 -7.574 -11.678 1.00 0.00 C ATOM 354 SG CYS A 445 -2.426 -8.076 -12.436 1.00 0.00 S ATOM 0 H CYS A 445 -6.741 -7.431 -11.530 1.00 0.00 H new ATOM 0 HA CYS A 445 -4.624 -6.138 -13.152 1.00 0.00 H new ATOM 0 HB2 CYS A 445 -3.808 -6.812 -10.923 1.00 0.00 H new ATOM 0 HB3 CYS A 445 -4.436 -8.431 -11.161 1.00 0.00 H new ATOM 0 HG CYS A 445 -2.487 -9.330 -12.775 1.00 0.00 H new ATOM 359 N ALA A 446 -5.182 -7.661 -15.011 1.00 0.00 N ATOM 360 CA ALA A 446 -5.419 -8.559 -16.135 1.00 0.00 C ATOM 361 C ALA A 446 -4.826 -9.938 -15.870 1.00 0.00 C ATOM 362 O ALA A 446 -5.555 -10.910 -15.669 1.00 0.00 O ATOM 363 CB ALA A 446 -4.840 -7.969 -17.412 1.00 0.00 C ATOM 0 H ALA A 446 -4.916 -6.713 -15.277 1.00 0.00 H new ATOM 0 HA ALA A 446 -6.496 -8.673 -16.257 1.00 0.00 H new ATOM 0 HB1 ALA A 446 -5.024 -8.650 -18.243 1.00 0.00 H new ATOM 0 HB2 ALA A 446 -5.314 -7.009 -17.617 1.00 0.00 H new ATOM 0 HB3 ALA A 446 -3.766 -7.825 -17.292 1.00 0.00 H new ATOM 369 N ARG A 447 -3.499 -10.017 -15.872 1.00 0.00 N ATOM 370 CA ARG A 447 -2.808 -11.279 -15.634 1.00 0.00 C ATOM 371 C ARG A 447 -2.781 -11.611 -14.144 1.00 0.00 C ATOM 372 O ARG A 447 -2.060 -10.982 -13.371 1.00 0.00 O ATOM 373 CB ARG A 447 -1.381 -11.214 -16.178 1.00 0.00 C ATOM 374 CG ARG A 447 -1.304 -11.285 -17.695 1.00 0.00 C ATOM 375 CD ARG A 447 0.132 -11.177 -18.185 1.00 0.00 C ATOM 376 NE ARG A 447 0.203 -10.769 -19.586 1.00 0.00 N ATOM 377 CZ ARG A 447 1.169 -11.149 -20.414 1.00 0.00 C ATOM 378 NH1 ARG A 447 2.141 -11.942 -19.985 1.00 0.00 N ATOM 379 NH2 ARG A 447 1.164 -10.736 -21.675 1.00 0.00 N ATOM 0 H ARG A 447 -2.881 -9.222 -16.036 1.00 0.00 H new ATOM 0 HA ARG A 447 -3.353 -12.066 -16.155 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -0.915 -10.288 -15.842 1.00 0.00 H new ATOM 0 HB3 ARG A 447 -0.802 -12.034 -15.754 1.00 0.00 H new ATOM 0 HG2 ARG A 447 -1.737 -12.224 -18.039 1.00 0.00 H new ATOM 0 HG3 ARG A 447 -1.899 -10.481 -18.129 1.00 0.00 H new ATOM 0 HD2 ARG A 447 0.672 -10.457 -17.570 1.00 0.00 H new ATOM 0 HD3 ARG A 447 0.630 -12.138 -18.062 1.00 0.00 H new ATOM 0 HE ARG A 447 -0.530 -10.159 -19.948 1.00 0.00 H new ATOM 0 HH11 ARG A 447 2.148 -12.262 -19.016 1.00 0.00 H new ATOM 0 HH12 ARG A 447 2.882 -12.232 -20.623 1.00 0.00 H new ATOM 0 HH21 ARG A 447 0.418 -10.126 -22.009 1.00 0.00 H new ATOM 0 HH22 ARG A 447 1.906 -11.028 -22.310 1.00 0.00 H new ATOM 393 N ALA A 448 -3.573 -12.604 -13.750 1.00 0.00 N ATOM 394 CA ALA A 448 -3.639 -13.020 -12.355 1.00 0.00 C ATOM 395 C ALA A 448 -2.460 -13.918 -11.994 1.00 0.00 C ATOM 396 O ALA A 448 -1.523 -13.486 -11.324 1.00 0.00 O ATOM 397 CB ALA A 448 -4.953 -13.736 -12.079 1.00 0.00 C ATOM 0 H ALA A 448 -4.177 -13.135 -14.378 1.00 0.00 H new ATOM 0 HA ALA A 448 -3.587 -12.127 -11.732 1.00 0.00 H new ATOM 0 HB1 ALA A 448 -4.988 -14.041 -11.033 1.00 0.00 H new ATOM 0 HB2 ALA A 448 -5.785 -13.064 -12.289 1.00 0.00 H new ATOM 0 HB3 ALA A 448 -5.028 -14.617 -12.717 1.00 0.00 H new ATOM 403 N GLU A 449 -2.514 -15.168 -12.443 1.00 0.00 N ATOM 404 CA GLU A 449 -1.451 -16.126 -12.165 1.00 0.00 C ATOM 405 C GLU A 449 -0.277 -15.928 -13.120 1.00 0.00 C ATOM 406 O GLU A 449 0.698 -16.677 -13.085 1.00 0.00 O ATOM 407 CB GLU A 449 -1.980 -17.557 -12.280 1.00 0.00 C ATOM 408 CG GLU A 449 -3.262 -17.796 -11.499 1.00 0.00 C ATOM 409 CD GLU A 449 -3.020 -17.934 -10.009 1.00 0.00 C ATOM 410 OE1 GLU A 449 -2.102 -18.688 -9.624 1.00 0.00 O ATOM 411 OE2 GLU A 449 -3.749 -17.288 -9.227 1.00 0.00 O ATOM 0 H GLU A 449 -3.282 -15.541 -13.001 1.00 0.00 H new ATOM 0 HA GLU A 449 -1.102 -15.956 -11.146 1.00 0.00 H new ATOM 0 HB2 GLU A 449 -2.156 -17.787 -13.331 1.00 0.00 H new ATOM 0 HB3 GLU A 449 -1.215 -18.248 -11.926 1.00 0.00 H new ATOM 0 HG2 GLU A 449 -3.951 -16.970 -11.676 1.00 0.00 H new ATOM 0 HG3 GLU A 449 -3.746 -18.700 -11.870 1.00 0.00 H new ATOM 418 N ASN A 450 -0.381 -14.915 -13.974 1.00 0.00 N ATOM 419 CA ASN A 450 0.671 -14.618 -14.940 1.00 0.00 C ATOM 420 C ASN A 450 1.319 -13.269 -14.642 1.00 0.00 C ATOM 421 O ASN A 450 2.015 -12.703 -15.486 1.00 0.00 O ATOM 422 CB ASN A 450 0.103 -14.622 -16.360 1.00 0.00 C ATOM 423 CG ASN A 450 -0.246 -16.017 -16.840 1.00 0.00 C ATOM 424 OD1 ASN A 450 -1.352 -16.507 -16.609 1.00 0.00 O ATOM 425 ND2 ASN A 450 0.698 -16.665 -17.512 1.00 0.00 N ATOM 0 H ASN A 450 -1.183 -14.286 -14.017 1.00 0.00 H new ATOM 0 HA ASN A 450 1.434 -15.392 -14.859 1.00 0.00 H new ATOM 0 HB2 ASN A 450 -0.789 -13.996 -16.393 1.00 0.00 H new ATOM 0 HB3 ASN A 450 0.830 -14.178 -17.040 1.00 0.00 H new ATOM 0 HD21 ASN A 450 0.521 -17.607 -17.860 1.00 0.00 H new ATOM 0 HD22 ASN A 450 1.600 -16.220 -17.681 1.00 0.00 H new ATOM 432 N CYS A 451 1.085 -12.760 -13.437 1.00 0.00 N ATOM 433 CA CYS A 451 1.645 -11.478 -13.027 1.00 0.00 C ATOM 434 C CYS A 451 3.097 -11.636 -12.583 1.00 0.00 C ATOM 435 O CYS A 451 3.395 -12.237 -11.551 1.00 0.00 O ATOM 436 CB CYS A 451 0.816 -10.876 -11.891 1.00 0.00 C ATOM 437 SG CYS A 451 1.279 -9.169 -11.457 1.00 0.00 S ATOM 0 H CYS A 451 0.511 -13.216 -12.727 1.00 0.00 H new ATOM 0 HA CYS A 451 1.616 -10.806 -13.885 1.00 0.00 H new ATOM 0 HB2 CYS A 451 -0.236 -10.895 -12.174 1.00 0.00 H new ATOM 0 HB3 CYS A 451 0.920 -11.505 -11.007 1.00 0.00 H new ATOM 0 HG CYS A 451 0.615 -8.794 -10.404 1.00 0.00 H new ATOM 442 N PRO A 452 4.023 -11.083 -13.381 1.00 0.00 N ATOM 443 CA PRO A 452 5.458 -11.147 -13.091 1.00 0.00 C ATOM 444 C PRO A 452 5.845 -10.296 -11.887 1.00 0.00 C ATOM 445 O PRO A 452 7.012 -10.249 -11.497 1.00 0.00 O ATOM 446 CB PRO A 452 6.102 -10.596 -14.366 1.00 0.00 C ATOM 447 CG PRO A 452 5.060 -9.718 -14.968 1.00 0.00 C ATOM 448 CD PRO A 452 3.739 -10.351 -14.627 1.00 0.00 C ATOM 0 HA PRO A 452 5.778 -12.158 -12.838 1.00 0.00 H new ATOM 0 HB2 PRO A 452 7.010 -10.036 -14.141 1.00 0.00 H new ATOM 0 HB3 PRO A 452 6.384 -11.400 -15.046 1.00 0.00 H new ATOM 0 HG2 PRO A 452 5.123 -8.706 -14.568 1.00 0.00 H new ATOM 0 HG3 PRO A 452 5.189 -9.642 -16.048 1.00 0.00 H new ATOM 0 HD2 PRO A 452 2.960 -9.602 -14.485 1.00 0.00 H new ATOM 0 HD3 PRO A 452 3.398 -11.020 -15.417 1.00 0.00 H new ATOM 456 N TYR A 453 4.860 -9.624 -11.302 1.00 0.00 N ATOM 457 CA TYR A 453 5.099 -8.772 -10.143 1.00 0.00 C ATOM 458 C TYR A 453 4.666 -9.469 -8.857 1.00 0.00 C ATOM 459 O TYR A 453 4.182 -10.601 -8.883 1.00 0.00 O ATOM 460 CB TYR A 453 4.350 -7.447 -10.295 1.00 0.00 C ATOM 461 CG TYR A 453 4.872 -6.582 -11.420 1.00 0.00 C ATOM 462 CD1 TYR A 453 4.535 -6.850 -12.741 1.00 0.00 C ATOM 463 CD2 TYR A 453 5.703 -5.499 -11.163 1.00 0.00 C ATOM 464 CE1 TYR A 453 5.010 -6.063 -13.773 1.00 0.00 C ATOM 465 CE2 TYR A 453 6.181 -4.706 -12.188 1.00 0.00 C ATOM 466 CZ TYR A 453 5.832 -4.992 -13.491 1.00 0.00 C ATOM 467 OH TYR A 453 6.308 -4.206 -14.515 1.00 0.00 O ATOM 0 H TYR A 453 3.888 -9.653 -11.611 1.00 0.00 H new ATOM 0 HA TYR A 453 6.169 -8.572 -10.085 1.00 0.00 H new ATOM 0 HB2 TYR A 453 3.294 -7.654 -10.467 1.00 0.00 H new ATOM 0 HB3 TYR A 453 4.418 -6.892 -9.360 1.00 0.00 H new ATOM 0 HD1 TYR A 453 3.891 -7.687 -12.965 1.00 0.00 H new ATOM 0 HD2 TYR A 453 5.980 -5.273 -10.144 1.00 0.00 H new ATOM 0 HE1 TYR A 453 4.739 -6.285 -14.795 1.00 0.00 H new ATOM 0 HE2 TYR A 453 6.825 -3.867 -11.970 1.00 0.00 H new ATOM 0 HH TYR A 453 6.872 -3.494 -14.146 1.00 0.00 H new ATOM 477 N MET A 454 4.843 -8.784 -7.732 1.00 0.00 N ATOM 478 CA MET A 454 4.469 -9.335 -6.434 1.00 0.00 C ATOM 479 C MET A 454 3.124 -8.780 -5.975 1.00 0.00 C ATOM 480 O MET A 454 2.842 -7.593 -6.141 1.00 0.00 O ATOM 481 CB MET A 454 5.546 -9.022 -5.394 1.00 0.00 C ATOM 482 CG MET A 454 6.829 -9.812 -5.591 1.00 0.00 C ATOM 483 SD MET A 454 6.729 -11.479 -4.911 1.00 0.00 S ATOM 484 CE MET A 454 7.496 -11.238 -3.310 1.00 0.00 C ATOM 0 H MET A 454 5.243 -7.847 -7.693 1.00 0.00 H new ATOM 0 HA MET A 454 4.379 -10.416 -6.538 1.00 0.00 H new ATOM 0 HB2 MET A 454 5.776 -7.957 -5.430 1.00 0.00 H new ATOM 0 HB3 MET A 454 5.150 -9.229 -4.400 1.00 0.00 H new ATOM 0 HG2 MET A 454 7.055 -9.871 -6.656 1.00 0.00 H new ATOM 0 HG3 MET A 454 7.655 -9.280 -5.119 1.00 0.00 H new ATOM 0 HE1 MET A 454 7.752 -12.206 -2.880 1.00 0.00 H new ATOM 0 HE2 MET A 454 8.401 -10.642 -3.426 1.00 0.00 H new ATOM 0 HE3 MET A 454 6.802 -10.719 -2.649 1.00 0.00 H new ATOM 494 N HIS A 455 2.298 -9.646 -5.396 1.00 0.00 N ATOM 495 CA HIS A 455 0.983 -9.241 -4.912 1.00 0.00 C ATOM 496 C HIS A 455 0.914 -9.328 -3.391 1.00 0.00 C ATOM 497 O HIS A 455 1.009 -8.317 -2.696 1.00 0.00 O ATOM 498 CB HIS A 455 -0.105 -10.117 -5.535 1.00 0.00 C ATOM 499 CG HIS A 455 -0.475 -9.712 -6.928 1.00 0.00 C ATOM 500 ND1 HIS A 455 -1.540 -10.259 -7.613 1.00 0.00 N ATOM 501 CD2 HIS A 455 0.083 -8.806 -7.765 1.00 0.00 C ATOM 502 CE1 HIS A 455 -1.620 -9.708 -8.811 1.00 0.00 C ATOM 503 NE2 HIS A 455 -0.647 -8.823 -8.929 1.00 0.00 N ATOM 0 H HIS A 455 2.516 -10.632 -5.251 1.00 0.00 H new ATOM 0 HA HIS A 455 0.817 -8.205 -5.207 1.00 0.00 H new ATOM 0 HB2 HIS A 455 0.235 -11.153 -5.545 1.00 0.00 H new ATOM 0 HB3 HIS A 455 -0.995 -10.080 -4.906 1.00 0.00 H new ATOM 0 HD1 HIS A 455 -2.168 -10.977 -7.251 1.00 0.00 H new ATOM 0 HD2 HIS A 455 0.942 -8.185 -7.557 1.00 0.00 H new ATOM 0 HE1 HIS A 455 -2.356 -9.942 -9.566 1.00 0.00 H new ATOM 511 N GLY A 456 0.746 -10.544 -2.879 1.00 0.00 N ATOM 512 CA GLY A 456 0.666 -10.740 -1.443 1.00 0.00 C ATOM 513 C GLY A 456 2.031 -10.773 -0.785 1.00 0.00 C ATOM 514 O GLY A 456 2.351 -9.917 0.040 1.00 0.00 O ATOM 0 H GLY A 456 0.664 -11.396 -3.433 1.00 0.00 H new ATOM 0 HA2 GLY A 456 0.073 -9.938 -1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 456 0.143 -11.674 -1.236 1.00 0.00 H new ATOM 518 N ASP A 457 2.838 -11.764 -1.150 1.00 0.00 N ATOM 519 CA ASP A 457 4.176 -11.905 -0.588 1.00 0.00 C ATOM 520 C ASP A 457 4.781 -10.541 -0.273 1.00 0.00 C ATOM 521 O ASP A 457 5.348 -10.335 0.800 1.00 0.00 O ATOM 522 CB ASP A 457 5.082 -12.666 -1.559 1.00 0.00 C ATOM 523 CG ASP A 457 6.387 -13.095 -0.918 1.00 0.00 C ATOM 524 OD1 ASP A 457 6.838 -12.411 0.024 1.00 0.00 O ATOM 525 OD2 ASP A 457 6.956 -14.115 -1.359 1.00 0.00 O ATOM 0 H ASP A 457 2.589 -12.481 -1.832 1.00 0.00 H new ATOM 0 HA ASP A 457 4.095 -12.469 0.341 1.00 0.00 H new ATOM 0 HB2 ASP A 457 4.556 -13.546 -1.929 1.00 0.00 H new ATOM 0 HB3 ASP A 457 5.295 -12.036 -2.423 1.00 0.00 H new ATOM 530 N PHE A 458 4.655 -9.612 -1.215 1.00 0.00 N ATOM 531 CA PHE A 458 5.191 -8.267 -1.038 1.00 0.00 C ATOM 532 C PHE A 458 4.817 -7.708 0.332 1.00 0.00 C ATOM 533 O PHE A 458 3.645 -7.644 0.705 1.00 0.00 O ATOM 534 CB PHE A 458 4.672 -7.340 -2.139 1.00 0.00 C ATOM 535 CG PHE A 458 5.521 -6.118 -2.343 1.00 0.00 C ATOM 536 CD1 PHE A 458 6.737 -6.205 -3.002 1.00 0.00 C ATOM 537 CD2 PHE A 458 5.104 -4.882 -1.876 1.00 0.00 C ATOM 538 CE1 PHE A 458 7.520 -5.082 -3.191 1.00 0.00 C ATOM 539 CE2 PHE A 458 5.883 -3.755 -2.062 1.00 0.00 C ATOM 540 CZ PHE A 458 7.092 -3.856 -2.722 1.00 0.00 C ATOM 0 H PHE A 458 4.187 -9.766 -2.108 1.00 0.00 H new ATOM 0 HA PHE A 458 6.278 -8.324 -1.103 1.00 0.00 H new ATOM 0 HB2 PHE A 458 4.618 -7.896 -3.075 1.00 0.00 H new ATOM 0 HB3 PHE A 458 3.656 -7.030 -1.893 1.00 0.00 H new ATOM 0 HD1 PHE A 458 7.077 -7.161 -3.372 1.00 0.00 H new ATOM 0 HD2 PHE A 458 4.159 -4.798 -1.360 1.00 0.00 H new ATOM 0 HE1 PHE A 458 8.466 -5.163 -3.705 1.00 0.00 H new ATOM 0 HE2 PHE A 458 5.547 -2.798 -1.692 1.00 0.00 H new ATOM 0 HZ PHE A 458 7.702 -2.977 -2.871 1.00 0.00 H new ATOM 550 N PRO A 459 5.835 -7.294 1.100 1.00 0.00 N ATOM 551 CA PRO A 459 5.639 -6.733 2.440 1.00 0.00 C ATOM 552 C PRO A 459 4.980 -5.359 2.402 1.00 0.00 C ATOM 553 O PRO A 459 5.211 -4.572 1.484 1.00 0.00 O ATOM 554 CB PRO A 459 7.063 -6.628 2.992 1.00 0.00 C ATOM 555 CG PRO A 459 7.931 -6.522 1.785 1.00 0.00 C ATOM 556 CD PRO A 459 7.257 -7.340 0.718 1.00 0.00 C ATOM 0 HA PRO A 459 4.976 -7.349 3.047 1.00 0.00 H new ATOM 0 HB2 PRO A 459 7.174 -5.757 3.637 1.00 0.00 H new ATOM 0 HB3 PRO A 459 7.321 -7.502 3.590 1.00 0.00 H new ATOM 0 HG2 PRO A 459 8.038 -5.484 1.471 1.00 0.00 H new ATOM 0 HG3 PRO A 459 8.933 -6.898 1.991 1.00 0.00 H new ATOM 0 HD2 PRO A 459 7.420 -6.919 -0.274 1.00 0.00 H new ATOM 0 HD3 PRO A 459 7.635 -8.362 0.697 1.00 0.00 H new ATOM 564 N CYS A 460 4.157 -5.075 3.407 1.00 0.00 N ATOM 565 CA CYS A 460 3.463 -3.795 3.489 1.00 0.00 C ATOM 566 C CYS A 460 4.456 -2.649 3.663 1.00 0.00 C ATOM 567 O CYS A 460 5.479 -2.794 4.332 1.00 0.00 O ATOM 568 CB CYS A 460 2.469 -3.804 4.652 1.00 0.00 C ATOM 569 SG CYS A 460 1.167 -2.537 4.527 1.00 0.00 S ATOM 0 H CYS A 460 3.955 -5.714 4.176 1.00 0.00 H new ATOM 0 HA CYS A 460 2.919 -3.644 2.556 1.00 0.00 H new ATOM 0 HB2 CYS A 460 2.001 -4.787 4.708 1.00 0.00 H new ATOM 0 HB3 CYS A 460 3.015 -3.658 5.584 1.00 0.00 H new ATOM 0 HG CYS A 460 0.411 -2.791 3.500 1.00 0.00 H new ATOM 574 N LYS A 461 4.145 -1.508 3.056 1.00 0.00 N ATOM 575 CA LYS A 461 5.007 -0.335 3.144 1.00 0.00 C ATOM 576 C LYS A 461 4.808 0.388 4.472 1.00 0.00 C ATOM 577 O LYS A 461 5.706 0.421 5.314 1.00 0.00 O ATOM 578 CB LYS A 461 4.723 0.620 1.983 1.00 0.00 C ATOM 579 CG LYS A 461 5.454 1.946 2.093 1.00 0.00 C ATOM 580 CD LYS A 461 5.687 2.570 0.727 1.00 0.00 C ATOM 581 CE LYS A 461 4.454 3.316 0.238 1.00 0.00 C ATOM 582 NZ LYS A 461 4.579 3.716 -1.191 1.00 0.00 N ATOM 0 H LYS A 461 3.302 -1.371 2.498 1.00 0.00 H new ATOM 0 HA LYS A 461 6.042 -0.670 3.085 1.00 0.00 H new ATOM 0 HB2 LYS A 461 5.005 0.136 1.048 1.00 0.00 H new ATOM 0 HB3 LYS A 461 3.651 0.809 1.933 1.00 0.00 H new ATOM 0 HG2 LYS A 461 4.875 2.631 2.713 1.00 0.00 H new ATOM 0 HG3 LYS A 461 6.411 1.795 2.593 1.00 0.00 H new ATOM 0 HD2 LYS A 461 6.532 3.256 0.779 1.00 0.00 H new ATOM 0 HD3 LYS A 461 5.951 1.792 0.011 1.00 0.00 H new ATOM 0 HE2 LYS A 461 3.574 2.685 0.363 1.00 0.00 H new ATOM 0 HE3 LYS A 461 4.299 4.204 0.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 3.719 4.221 -1.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 5.404 4.339 -1.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 4.701 2.867 -1.780 1.00 0.00 H new ATOM 596 N LEU A 462 3.625 0.966 4.654 1.00 0.00 N ATOM 597 CA LEU A 462 3.307 1.688 5.880 1.00 0.00 C ATOM 598 C LEU A 462 3.762 0.904 7.107 1.00 0.00 C ATOM 599 O LEU A 462 4.569 1.387 7.901 1.00 0.00 O ATOM 600 CB LEU A 462 1.804 1.958 5.962 1.00 0.00 C ATOM 601 CG LEU A 462 1.285 3.128 5.125 1.00 0.00 C ATOM 602 CD1 LEU A 462 -0.229 3.224 5.222 1.00 0.00 C ATOM 603 CD2 LEU A 462 1.933 4.431 5.571 1.00 0.00 C ATOM 0 H LEU A 462 2.871 0.948 3.968 1.00 0.00 H new ATOM 0 HA LEU A 462 3.840 2.639 5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 462 1.276 1.055 5.655 1.00 0.00 H new ATOM 0 HB3 LEU A 462 1.544 2.140 7.005 1.00 0.00 H new ATOM 0 HG LEU A 462 1.551 2.950 4.083 1.00 0.00 H new ATOM 0 HD11 LEU A 462 -0.580 4.062 4.620 1.00 0.00 H new ATOM 0 HD12 LEU A 462 -0.676 2.301 4.854 1.00 0.00 H new ATOM 0 HD13 LEU A 462 -0.518 3.378 6.262 1.00 0.00 H new ATOM 0 HD21 LEU A 462 1.552 5.253 4.965 1.00 0.00 H new ATOM 0 HD22 LEU A 462 1.698 4.614 6.619 1.00 0.00 H new ATOM 0 HD23 LEU A 462 3.014 4.360 5.449 1.00 0.00 H new ATOM 615 N TYR A 463 3.239 -0.308 7.255 1.00 0.00 N ATOM 616 CA TYR A 463 3.591 -1.160 8.385 1.00 0.00 C ATOM 617 C TYR A 463 5.079 -1.052 8.706 1.00 0.00 C ATOM 618 O TYR A 463 5.501 -1.294 9.838 1.00 0.00 O ATOM 619 CB TYR A 463 3.227 -2.615 8.087 1.00 0.00 C ATOM 620 CG TYR A 463 3.465 -3.550 9.251 1.00 0.00 C ATOM 621 CD1 TYR A 463 4.700 -4.159 9.437 1.00 0.00 C ATOM 622 CD2 TYR A 463 2.455 -3.824 10.166 1.00 0.00 C ATOM 623 CE1 TYR A 463 4.922 -5.014 10.499 1.00 0.00 C ATOM 624 CE2 TYR A 463 2.669 -4.676 11.231 1.00 0.00 C ATOM 625 CZ TYR A 463 3.904 -5.269 11.394 1.00 0.00 C ATOM 626 OH TYR A 463 4.120 -6.120 12.453 1.00 0.00 O ATOM 0 H TYR A 463 2.570 -0.723 6.607 1.00 0.00 H new ATOM 0 HA TYR A 463 3.025 -0.821 9.253 1.00 0.00 H new ATOM 0 HB2 TYR A 463 2.177 -2.666 7.800 1.00 0.00 H new ATOM 0 HB3 TYR A 463 3.809 -2.958 7.231 1.00 0.00 H new ATOM 0 HD1 TYR A 463 5.500 -3.960 8.739 1.00 0.00 H new ATOM 0 HD2 TYR A 463 1.487 -3.363 10.042 1.00 0.00 H new ATOM 0 HE1 TYR A 463 5.888 -5.480 10.628 1.00 0.00 H new ATOM 0 HE2 TYR A 463 1.873 -4.877 11.933 1.00 0.00 H new ATOM 0 HH TYR A 463 3.302 -6.190 12.988 1.00 0.00 H new ATOM 636 N HIS A 464 5.869 -0.686 7.702 1.00 0.00 N ATOM 637 CA HIS A 464 7.310 -0.544 7.876 1.00 0.00 C ATOM 638 C HIS A 464 7.694 0.922 8.059 1.00 0.00 C ATOM 639 O HIS A 464 8.391 1.279 9.009 1.00 0.00 O ATOM 640 CB HIS A 464 8.051 -1.131 6.675 1.00 0.00 C ATOM 641 CG HIS A 464 7.970 -2.624 6.592 1.00 0.00 C ATOM 642 ND1 HIS A 464 8.091 -3.446 7.692 1.00 0.00 N ATOM 643 CD2 HIS A 464 7.776 -3.443 5.531 1.00 0.00 C ATOM 644 CE1 HIS A 464 7.978 -4.706 7.312 1.00 0.00 C ATOM 645 NE2 HIS A 464 7.785 -4.732 6.005 1.00 0.00 N ATOM 0 H HIS A 464 5.536 -0.482 6.760 1.00 0.00 H new ATOM 0 HA HIS A 464 7.598 -1.091 8.774 1.00 0.00 H new ATOM 0 HB2 HIS A 464 7.641 -0.702 5.761 1.00 0.00 H new ATOM 0 HB3 HIS A 464 9.099 -0.834 6.725 1.00 0.00 H new ATOM 0 HD1 HIS A 464 8.244 -3.130 8.650 1.00 0.00 H new ATOM 0 HD2 HIS A 464 7.640 -3.139 4.504 1.00 0.00 H new ATOM 0 HE1 HIS A 464 8.034 -5.569 7.960 1.00 0.00 H new ATOM 653 N THR A 465 7.234 1.768 7.142 1.00 0.00 N ATOM 654 CA THR A 465 7.530 3.193 7.201 1.00 0.00 C ATOM 655 C THR A 465 7.576 3.687 8.642 1.00 0.00 C ATOM 656 O THR A 465 8.474 4.437 9.025 1.00 0.00 O ATOM 657 CB THR A 465 6.486 4.016 6.422 1.00 0.00 C ATOM 658 OG1 THR A 465 5.212 3.930 7.069 1.00 0.00 O ATOM 659 CG2 THR A 465 6.367 3.521 4.988 1.00 0.00 C ATOM 0 H THR A 465 6.655 1.490 6.350 1.00 0.00 H new ATOM 0 HA THR A 465 8.509 3.331 6.741 1.00 0.00 H new ATOM 0 HB THR A 465 6.814 5.055 6.405 1.00 0.00 H new ATOM 0 HG1 THR A 465 5.085 3.025 7.423 1.00 0.00 H new ATOM 0 HG21 THR A 465 5.624 4.117 4.458 1.00 0.00 H new ATOM 0 HG22 THR A 465 7.332 3.616 4.489 1.00 0.00 H new ATOM 0 HG23 THR A 465 6.060 2.475 4.988 1.00 0.00 H new ATOM 667 N THR A 466 6.601 3.260 9.440 1.00 0.00 N ATOM 668 CA THR A 466 6.531 3.659 10.840 1.00 0.00 C ATOM 669 C THR A 466 6.514 2.442 11.758 1.00 0.00 C ATOM 670 O THR A 466 7.071 2.472 12.855 1.00 0.00 O ATOM 671 CB THR A 466 5.281 4.515 11.118 1.00 0.00 C ATOM 672 OG1 THR A 466 4.099 3.777 10.790 1.00 0.00 O ATOM 673 CG2 THR A 466 5.319 5.806 10.313 1.00 0.00 C ATOM 0 H THR A 466 5.850 2.638 9.140 1.00 0.00 H new ATOM 0 HA THR A 466 7.422 4.253 11.045 1.00 0.00 H new ATOM 0 HB THR A 466 5.269 4.767 12.178 1.00 0.00 H new ATOM 0 HG1 THR A 466 3.309 4.328 10.971 1.00 0.00 H new ATOM 0 HG21 THR A 466 4.426 6.394 10.526 1.00 0.00 H new ATOM 0 HG22 THR A 466 6.205 6.379 10.587 1.00 0.00 H new ATOM 0 HG23 THR A 466 5.353 5.571 9.249 1.00 0.00 H new ATOM 681 N GLY A 467 5.870 1.372 11.303 1.00 0.00 N ATOM 682 CA GLY A 467 5.793 0.159 12.096 1.00 0.00 C ATOM 683 C GLY A 467 4.390 -0.413 12.146 1.00 0.00 C ATOM 684 O GLY A 467 4.208 -1.629 12.126 1.00 0.00 O ATOM 0 H GLY A 467 5.400 1.323 10.399 1.00 0.00 H new ATOM 0 HA2 GLY A 467 6.471 -0.586 11.681 1.00 0.00 H new ATOM 0 HA3 GLY A 467 6.133 0.369 13.110 1.00 0.00 H new ATOM 688 N ASN A 468 3.396 0.467 12.214 1.00 0.00 N ATOM 689 CA ASN A 468 2.002 0.042 12.270 1.00 0.00 C ATOM 690 C ASN A 468 1.278 0.381 10.970 1.00 0.00 C ATOM 691 O ASN A 468 1.585 1.379 10.318 1.00 0.00 O ATOM 692 CB ASN A 468 1.292 0.707 13.451 1.00 0.00 C ATOM 693 CG ASN A 468 1.522 -0.034 14.754 1.00 0.00 C ATOM 694 OD1 ASN A 468 2.456 0.269 15.496 1.00 0.00 O ATOM 695 ND2 ASN A 468 0.668 -1.010 15.038 1.00 0.00 N ATOM 0 H ASN A 468 3.530 1.478 12.232 1.00 0.00 H new ATOM 0 HA ASN A 468 1.982 -1.039 12.405 1.00 0.00 H new ATOM 0 HB2 ASN A 468 1.645 1.733 13.553 1.00 0.00 H new ATOM 0 HB3 ASN A 468 0.222 0.756 13.248 1.00 0.00 H new ATOM 0 HD21 ASN A 468 0.772 -1.543 15.901 1.00 0.00 H new ATOM 0 HD22 ASN A 468 -0.092 -1.226 14.393 1.00 0.00 H new ATOM 702 N CYS A 469 0.314 -0.456 10.601 1.00 0.00 N ATOM 703 CA CYS A 469 -0.455 -0.246 9.380 1.00 0.00 C ATOM 704 C CYS A 469 -1.838 0.314 9.698 1.00 0.00 C ATOM 705 O CYS A 469 -2.420 0.005 10.739 1.00 0.00 O ATOM 706 CB CYS A 469 -0.590 -1.559 8.606 1.00 0.00 C ATOM 707 SG CYS A 469 -1.338 -1.375 6.955 1.00 0.00 S ATOM 0 H CYS A 469 0.047 -1.286 11.130 1.00 0.00 H new ATOM 0 HA CYS A 469 0.078 0.478 8.764 1.00 0.00 H new ATOM 0 HB2 CYS A 469 0.397 -2.008 8.498 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -1.193 -2.253 9.191 1.00 0.00 H new ATOM 0 HG CYS A 469 -0.493 -1.770 6.049 1.00 0.00 H new ATOM 712 N ILE A 470 -2.359 1.138 8.796 1.00 0.00 N ATOM 713 CA ILE A 470 -3.673 1.740 8.979 1.00 0.00 C ATOM 714 C ILE A 470 -4.779 0.700 8.835 1.00 0.00 C ATOM 715 O ILE A 470 -5.737 0.685 9.607 1.00 0.00 O ATOM 716 CB ILE A 470 -3.918 2.877 7.970 1.00 0.00 C ATOM 717 CG1 ILE A 470 -5.284 3.521 8.215 1.00 0.00 C ATOM 718 CG2 ILE A 470 -3.823 2.350 6.545 1.00 0.00 C ATOM 719 CD1 ILE A 470 -5.291 4.505 9.363 1.00 0.00 C ATOM 0 H ILE A 470 -1.890 1.404 7.930 1.00 0.00 H new ATOM 0 HA ILE A 470 -3.693 2.151 9.988 1.00 0.00 H new ATOM 0 HB ILE A 470 -3.149 3.637 8.108 1.00 0.00 H new ATOM 0 HG12 ILE A 470 -5.604 4.032 7.307 1.00 0.00 H new ATOM 0 HG13 ILE A 470 -6.015 2.738 8.414 1.00 0.00 H new ATOM 0 HG21 ILE A 470 -3.998 3.165 5.843 1.00 0.00 H new ATOM 0 HG22 ILE A 470 -2.830 1.934 6.377 1.00 0.00 H new ATOM 0 HG23 ILE A 470 -4.573 1.573 6.394 1.00 0.00 H new ATOM 0 HD11 ILE A 470 -6.291 4.922 9.479 1.00 0.00 H new ATOM 0 HD12 ILE A 470 -5.002 3.994 10.282 1.00 0.00 H new ATOM 0 HD13 ILE A 470 -4.584 5.309 9.157 1.00 0.00 H new ATOM 731 N ASN A 471 -4.639 -0.171 7.840 1.00 0.00 N ATOM 732 CA ASN A 471 -5.625 -1.217 7.595 1.00 0.00 C ATOM 733 C ASN A 471 -5.906 -2.009 8.867 1.00 0.00 C ATOM 734 O ASN A 471 -7.054 -2.135 9.292 1.00 0.00 O ATOM 735 CB ASN A 471 -5.138 -2.158 6.491 1.00 0.00 C ATOM 736 CG ASN A 471 -6.275 -2.911 5.829 1.00 0.00 C ATOM 737 OD1 ASN A 471 -6.831 -3.848 6.402 1.00 0.00 O ATOM 738 ND2 ASN A 471 -6.627 -2.503 4.616 1.00 0.00 N ATOM 0 H ASN A 471 -3.852 -0.173 7.191 1.00 0.00 H new ATOM 0 HA ASN A 471 -6.551 -0.740 7.274 1.00 0.00 H new ATOM 0 HB2 ASN A 471 -4.600 -1.582 5.738 1.00 0.00 H new ATOM 0 HB3 ASN A 471 -4.430 -2.872 6.912 1.00 0.00 H new ATOM 0 HD21 ASN A 471 -7.386 -2.971 4.121 1.00 0.00 H new ATOM 0 HD22 ASN A 471 -6.138 -1.722 4.179 1.00 0.00 H new ATOM 745 N GLY A 472 -4.848 -2.542 9.472 1.00 0.00 N ATOM 746 CA GLY A 472 -5.002 -3.315 10.691 1.00 0.00 C ATOM 747 C GLY A 472 -4.468 -4.727 10.552 1.00 0.00 C ATOM 748 O GLY A 472 -3.571 -4.983 9.749 1.00 0.00 O ATOM 0 H GLY A 472 -3.888 -2.452 9.140 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -4.481 -2.811 11.505 1.00 0.00 H new ATOM 0 HA3 GLY A 472 -6.057 -3.354 10.963 1.00 0.00 H new ATOM 752 N ASP A 473 -5.019 -5.646 11.338 1.00 0.00 N ATOM 753 CA ASP A 473 -4.592 -7.040 11.300 1.00 0.00 C ATOM 754 C ASP A 473 -5.139 -7.742 10.061 1.00 0.00 C ATOM 755 O ASP A 473 -4.631 -8.786 9.653 1.00 0.00 O ATOM 756 CB ASP A 473 -5.055 -7.771 12.561 1.00 0.00 C ATOM 757 CG ASP A 473 -4.218 -7.419 13.775 1.00 0.00 C ATOM 758 OD1 ASP A 473 -2.974 -7.423 13.660 1.00 0.00 O ATOM 759 OD2 ASP A 473 -4.806 -7.138 14.840 1.00 0.00 O ATOM 0 H ASP A 473 -5.762 -5.451 12.009 1.00 0.00 H new ATOM 0 HA ASP A 473 -3.503 -7.060 11.256 1.00 0.00 H new ATOM 0 HB2 ASP A 473 -6.098 -7.524 12.758 1.00 0.00 H new ATOM 0 HB3 ASP A 473 -5.009 -8.847 12.391 1.00 0.00 H new ATOM 764 N ASP A 474 -6.176 -7.161 9.467 1.00 0.00 N ATOM 765 CA ASP A 474 -6.791 -7.731 8.274 1.00 0.00 C ATOM 766 C ASP A 474 -6.332 -6.993 7.021 1.00 0.00 C ATOM 767 O ASP A 474 -7.132 -6.700 6.131 1.00 0.00 O ATOM 768 CB ASP A 474 -8.316 -7.675 8.384 1.00 0.00 C ATOM 769 CG ASP A 474 -8.813 -6.318 8.842 1.00 0.00 C ATOM 770 OD1 ASP A 474 -8.934 -6.113 10.068 1.00 0.00 O ATOM 771 OD2 ASP A 474 -9.081 -5.461 7.974 1.00 0.00 O ATOM 0 H ASP A 474 -6.608 -6.296 9.792 1.00 0.00 H new ATOM 0 HA ASP A 474 -6.478 -8.772 8.196 1.00 0.00 H new ATOM 0 HB2 ASP A 474 -8.756 -7.912 7.416 1.00 0.00 H new ATOM 0 HB3 ASP A 474 -8.655 -8.438 9.084 1.00 0.00 H new ATOM 776 N CYS A 475 -5.039 -6.694 6.957 1.00 0.00 N ATOM 777 CA CYS A 475 -4.472 -5.989 5.814 1.00 0.00 C ATOM 778 C CYS A 475 -4.278 -6.935 4.632 1.00 0.00 C ATOM 779 O CYS A 475 -3.932 -8.103 4.810 1.00 0.00 O ATOM 780 CB CYS A 475 -3.135 -5.349 6.194 1.00 0.00 C ATOM 781 SG CYS A 475 -2.378 -4.362 4.863 1.00 0.00 S ATOM 0 H CYS A 475 -4.364 -6.929 7.684 1.00 0.00 H new ATOM 0 HA CYS A 475 -5.171 -5.206 5.519 1.00 0.00 H new ATOM 0 HB2 CYS A 475 -3.284 -4.711 7.065 1.00 0.00 H new ATOM 0 HB3 CYS A 475 -2.439 -6.134 6.490 1.00 0.00 H new ATOM 0 HG CYS A 475 -1.950 -3.235 5.349 1.00 0.00 H new ATOM 786 N MET A 476 -4.502 -6.422 3.427 1.00 0.00 N ATOM 787 CA MET A 476 -4.351 -7.221 2.217 1.00 0.00 C ATOM 788 C MET A 476 -2.885 -7.310 1.804 1.00 0.00 C ATOM 789 O MET A 476 -2.570 -7.623 0.656 1.00 0.00 O ATOM 790 CB MET A 476 -5.177 -6.621 1.077 1.00 0.00 C ATOM 791 CG MET A 476 -4.795 -5.190 0.738 1.00 0.00 C ATOM 792 SD MET A 476 -3.315 -5.090 -0.287 1.00 0.00 S ATOM 793 CE MET A 476 -3.909 -5.817 -1.812 1.00 0.00 C ATOM 0 H MET A 476 -4.789 -5.457 3.262 1.00 0.00 H new ATOM 0 HA MET A 476 -4.713 -8.227 2.429 1.00 0.00 H new ATOM 0 HB2 MET A 476 -5.058 -7.240 0.188 1.00 0.00 H new ATOM 0 HB3 MET A 476 -6.232 -6.652 1.348 1.00 0.00 H new ATOM 0 HG2 MET A 476 -5.625 -4.710 0.219 1.00 0.00 H new ATOM 0 HG3 MET A 476 -4.631 -4.633 1.661 1.00 0.00 H new ATOM 0 HE1 MET A 476 -3.250 -5.531 -2.632 1.00 0.00 H new ATOM 0 HE2 MET A 476 -3.921 -6.903 -1.717 1.00 0.00 H new ATOM 0 HE3 MET A 476 -4.918 -5.460 -2.016 1.00 0.00 H new ATOM 803 N PHE A 477 -1.991 -7.034 2.749 1.00 0.00 N ATOM 804 CA PHE A 477 -0.558 -7.082 2.483 1.00 0.00 C ATOM 805 C PHE A 477 0.152 -7.983 3.489 1.00 0.00 C ATOM 806 O PHE A 477 -0.362 -8.241 4.578 1.00 0.00 O ATOM 807 CB PHE A 477 0.039 -5.674 2.532 1.00 0.00 C ATOM 808 CG PHE A 477 -0.205 -4.876 1.283 1.00 0.00 C ATOM 809 CD1 PHE A 477 0.237 -5.336 0.053 1.00 0.00 C ATOM 810 CD2 PHE A 477 -0.876 -3.665 1.339 1.00 0.00 C ATOM 811 CE1 PHE A 477 0.014 -4.604 -1.098 1.00 0.00 C ATOM 812 CE2 PHE A 477 -1.103 -2.929 0.191 1.00 0.00 C ATOM 813 CZ PHE A 477 -0.656 -3.399 -1.028 1.00 0.00 C ATOM 0 H PHE A 477 -2.234 -6.775 3.705 1.00 0.00 H new ATOM 0 HA PHE A 477 -0.413 -7.496 1.485 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -0.382 -5.139 3.383 1.00 0.00 H new ATOM 0 HB3 PHE A 477 1.113 -5.749 2.702 1.00 0.00 H new ATOM 0 HD1 PHE A 477 0.762 -6.278 -0.007 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -1.226 -3.292 2.290 1.00 0.00 H new ATOM 0 HE1 PHE A 477 0.363 -4.974 -2.051 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -1.629 -1.988 0.248 1.00 0.00 H new ATOM 0 HZ PHE A 477 -0.830 -2.825 -1.926 1.00 0.00 H new ATOM 823 N SER A 478 1.335 -8.459 3.116 1.00 0.00 N ATOM 824 CA SER A 478 2.115 -9.335 3.983 1.00 0.00 C ATOM 825 C SER A 478 2.788 -8.538 5.097 1.00 0.00 C ATOM 826 O SER A 478 3.582 -7.634 4.836 1.00 0.00 O ATOM 827 CB SER A 478 3.170 -10.087 3.169 1.00 0.00 C ATOM 828 OG SER A 478 2.589 -11.164 2.454 1.00 0.00 O ATOM 0 H SER A 478 1.775 -8.253 2.219 1.00 0.00 H new ATOM 0 HA SER A 478 1.435 -10.056 4.436 1.00 0.00 H new ATOM 0 HB2 SER A 478 3.653 -9.402 2.472 1.00 0.00 H new ATOM 0 HB3 SER A 478 3.946 -10.465 3.834 1.00 0.00 H new ATOM 0 HG SER A 478 2.307 -10.854 1.568 1.00 0.00 H new ATOM 834 N HIS A 479 2.464 -8.880 6.340 1.00 0.00 N ATOM 835 CA HIS A 479 3.037 -8.197 7.494 1.00 0.00 C ATOM 836 C HIS A 479 4.164 -9.023 8.109 1.00 0.00 C ATOM 837 O HIS A 479 4.376 -8.995 9.322 1.00 0.00 O ATOM 838 CB HIS A 479 1.957 -7.927 8.542 1.00 0.00 C ATOM 839 CG HIS A 479 1.110 -6.731 8.234 1.00 0.00 C ATOM 840 ND1 HIS A 479 0.318 -6.107 9.175 1.00 0.00 N ATOM 841 CD2 HIS A 479 0.935 -6.043 7.082 1.00 0.00 C ATOM 842 CE1 HIS A 479 -0.308 -5.088 8.614 1.00 0.00 C ATOM 843 NE2 HIS A 479 0.049 -5.027 7.344 1.00 0.00 N ATOM 0 H HIS A 479 1.808 -9.625 6.574 1.00 0.00 H new ATOM 0 HA HIS A 479 3.449 -7.247 7.155 1.00 0.00 H new ATOM 0 HB2 HIS A 479 1.316 -8.804 8.625 1.00 0.00 H new ATOM 0 HB3 HIS A 479 2.432 -7.786 9.513 1.00 0.00 H new ATOM 0 HD2 HIS A 479 1.405 -6.254 6.133 1.00 0.00 H new ATOM 0 HE1 HIS A 479 -0.995 -4.418 9.110 1.00 0.00 H new ATOM 0 HE2 HIS A 479 -0.280 -4.338 6.668 1.00 0.00 H new ATOM 851 N ASP A 480 4.881 -9.756 7.266 1.00 0.00 N ATOM 852 CA ASP A 480 5.986 -10.589 7.726 1.00 0.00 C ATOM 853 C ASP A 480 7.225 -9.744 8.003 1.00 0.00 C ATOM 854 O ASP A 480 7.350 -8.611 7.538 1.00 0.00 O ATOM 855 CB ASP A 480 6.309 -11.665 6.688 1.00 0.00 C ATOM 856 CG ASP A 480 5.520 -12.940 6.912 1.00 0.00 C ATOM 857 OD1 ASP A 480 5.342 -13.329 8.085 1.00 0.00 O ATOM 858 OD2 ASP A 480 5.081 -13.550 5.914 1.00 0.00 O ATOM 0 H ASP A 480 4.717 -9.791 6.260 1.00 0.00 H new ATOM 0 HA ASP A 480 5.682 -11.071 8.655 1.00 0.00 H new ATOM 0 HB2 ASP A 480 6.096 -11.280 5.691 1.00 0.00 H new ATOM 0 HB3 ASP A 480 7.375 -11.890 6.722 1.00 0.00 H new ATOM 863 N PRO A 481 8.165 -10.306 8.778 1.00 0.00 N ATOM 864 CA PRO A 481 9.411 -9.621 9.135 1.00 0.00 C ATOM 865 C PRO A 481 10.349 -9.466 7.942 1.00 0.00 C ATOM 866 O PRO A 481 10.815 -10.455 7.374 1.00 0.00 O ATOM 867 CB PRO A 481 10.032 -10.541 10.188 1.00 0.00 C ATOM 868 CG PRO A 481 9.471 -11.889 9.892 1.00 0.00 C ATOM 869 CD PRO A 481 8.082 -11.653 9.366 1.00 0.00 C ATOM 0 HA PRO A 481 9.232 -8.606 9.489 1.00 0.00 H new ATOM 0 HB2 PRO A 481 11.120 -10.542 10.121 1.00 0.00 H new ATOM 0 HB3 PRO A 481 9.775 -10.218 11.197 1.00 0.00 H new ATOM 0 HG2 PRO A 481 10.082 -12.414 9.158 1.00 0.00 H new ATOM 0 HG3 PRO A 481 9.449 -12.508 10.789 1.00 0.00 H new ATOM 0 HD2 PRO A 481 7.801 -12.399 8.623 1.00 0.00 H new ATOM 0 HD3 PRO A 481 7.338 -11.699 10.161 1.00 0.00 H new ATOM 877 N LEU A 482 10.621 -8.221 7.568 1.00 0.00 N ATOM 878 CA LEU A 482 11.505 -7.937 6.442 1.00 0.00 C ATOM 879 C LEU A 482 12.710 -8.872 6.446 1.00 0.00 C ATOM 880 O LEU A 482 13.150 -9.333 7.500 1.00 0.00 O ATOM 881 CB LEU A 482 11.974 -6.482 6.492 1.00 0.00 C ATOM 882 CG LEU A 482 10.981 -5.438 5.980 1.00 0.00 C ATOM 883 CD1 LEU A 482 11.543 -4.036 6.155 1.00 0.00 C ATOM 884 CD2 LEU A 482 10.637 -5.699 4.521 1.00 0.00 C ATOM 0 H LEU A 482 10.243 -7.392 8.027 1.00 0.00 H new ATOM 0 HA LEU A 482 10.945 -8.101 5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 482 12.227 -6.238 7.524 1.00 0.00 H new ATOM 0 HB3 LEU A 482 12.892 -6.397 5.910 1.00 0.00 H new ATOM 0 HG LEU A 482 10.066 -5.516 6.567 1.00 0.00 H new ATOM 0 HD11 LEU A 482 10.823 -3.306 5.785 1.00 0.00 H new ATOM 0 HD12 LEU A 482 11.737 -3.851 7.212 1.00 0.00 H new ATOM 0 HD13 LEU A 482 12.473 -3.944 5.594 1.00 0.00 H new ATOM 0 HD21 LEU A 482 9.929 -4.946 4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 482 11.544 -5.649 3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 482 10.191 -6.689 4.424 1.00 0.00 H new ATOM 896 N THR A 483 13.241 -9.149 5.259 1.00 0.00 N ATOM 897 CA THR A 483 14.396 -10.028 5.125 1.00 0.00 C ATOM 898 C THR A 483 15.445 -9.421 4.200 1.00 0.00 C ATOM 899 O THR A 483 15.125 -8.605 3.337 1.00 0.00 O ATOM 900 CB THR A 483 13.989 -11.411 4.584 1.00 0.00 C ATOM 901 OG1 THR A 483 13.413 -11.277 3.280 1.00 0.00 O ATOM 902 CG2 THR A 483 12.994 -12.086 5.516 1.00 0.00 C ATOM 0 H THR A 483 12.889 -8.777 4.377 1.00 0.00 H new ATOM 0 HA THR A 483 14.820 -10.147 6.122 1.00 0.00 H new ATOM 0 HB THR A 483 14.884 -12.030 4.524 1.00 0.00 H new ATOM 0 HG1 THR A 483 13.158 -12.161 2.943 1.00 0.00 H new ATOM 0 HG21 THR A 483 12.722 -13.061 5.113 1.00 0.00 H new ATOM 0 HG22 THR A 483 13.446 -12.214 6.500 1.00 0.00 H new ATOM 0 HG23 THR A 483 12.101 -11.467 5.604 1.00 0.00 H new ATOM 910 N GLU A 484 16.697 -9.826 4.387 1.00 0.00 N ATOM 911 CA GLU A 484 17.793 -9.321 3.568 1.00 0.00 C ATOM 912 C GLU A 484 17.370 -9.204 2.107 1.00 0.00 C ATOM 913 O GLU A 484 17.821 -8.312 1.389 1.00 0.00 O ATOM 914 CB GLU A 484 19.012 -10.237 3.686 1.00 0.00 C ATOM 915 CG GLU A 484 18.856 -11.556 2.948 1.00 0.00 C ATOM 916 CD GLU A 484 19.968 -12.537 3.265 1.00 0.00 C ATOM 917 OE1 GLU A 484 21.144 -12.203 3.014 1.00 0.00 O ATOM 918 OE2 GLU A 484 19.661 -13.640 3.764 1.00 0.00 O ATOM 0 H GLU A 484 16.978 -10.502 5.098 1.00 0.00 H new ATOM 0 HA GLU A 484 18.058 -8.328 3.933 1.00 0.00 H new ATOM 0 HB2 GLU A 484 19.887 -9.715 3.299 1.00 0.00 H new ATOM 0 HB3 GLU A 484 19.203 -10.440 4.740 1.00 0.00 H new ATOM 0 HG2 GLU A 484 17.897 -12.003 3.209 1.00 0.00 H new ATOM 0 HG3 GLU A 484 18.838 -11.368 1.875 1.00 0.00 H new ATOM 925 N GLU A 485 16.502 -10.112 1.673 1.00 0.00 N ATOM 926 CA GLU A 485 16.020 -10.112 0.297 1.00 0.00 C ATOM 927 C GLU A 485 14.913 -9.077 0.108 1.00 0.00 C ATOM 928 O GLU A 485 15.131 -8.019 -0.482 1.00 0.00 O ATOM 929 CB GLU A 485 15.505 -11.500 -0.087 1.00 0.00 C ATOM 930 CG GLU A 485 16.577 -12.407 -0.668 1.00 0.00 C ATOM 931 CD GLU A 485 15.996 -13.614 -1.381 1.00 0.00 C ATOM 932 OE1 GLU A 485 14.840 -13.530 -1.844 1.00 0.00 O ATOM 933 OE2 GLU A 485 16.700 -14.642 -1.474 1.00 0.00 O ATOM 0 H GLU A 485 16.118 -10.857 2.254 1.00 0.00 H new ATOM 0 HA GLU A 485 16.855 -9.850 -0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 485 15.077 -11.976 0.795 1.00 0.00 H new ATOM 0 HB3 GLU A 485 14.700 -11.391 -0.814 1.00 0.00 H new ATOM 0 HG2 GLU A 485 17.190 -11.837 -1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 485 17.235 -12.744 0.133 1.00 0.00 H new ATOM 940 N THR A 486 13.725 -9.391 0.615 1.00 0.00 N ATOM 941 CA THR A 486 12.584 -8.492 0.501 1.00 0.00 C ATOM 942 C THR A 486 12.969 -7.065 0.875 1.00 0.00 C ATOM 943 O THR A 486 12.736 -6.128 0.112 1.00 0.00 O ATOM 944 CB THR A 486 11.417 -8.948 1.398 1.00 0.00 C ATOM 945 OG1 THR A 486 11.882 -9.160 2.735 1.00 0.00 O ATOM 946 CG2 THR A 486 10.793 -10.228 0.863 1.00 0.00 C ATOM 0 H THR A 486 13.528 -10.262 1.109 1.00 0.00 H new ATOM 0 HA THR A 486 12.264 -8.519 -0.541 1.00 0.00 H new ATOM 0 HB THR A 486 10.659 -8.165 1.398 1.00 0.00 H new ATOM 0 HG1 THR A 486 12.260 -10.061 2.811 1.00 0.00 H new ATOM 0 HG21 THR A 486 9.971 -10.531 1.512 1.00 0.00 H new ATOM 0 HG22 THR A 486 10.415 -10.055 -0.144 1.00 0.00 H new ATOM 0 HG23 THR A 486 11.545 -11.016 0.838 1.00 0.00 H new ATOM 954 N ARG A 487 13.561 -6.907 2.055 1.00 0.00 N ATOM 955 CA ARG A 487 13.979 -5.594 2.530 1.00 0.00 C ATOM 956 C ARG A 487 14.597 -4.777 1.399 1.00 0.00 C ATOM 957 O ARG A 487 14.299 -3.594 1.240 1.00 0.00 O ATOM 958 CB ARG A 487 14.981 -5.737 3.677 1.00 0.00 C ATOM 959 CG ARG A 487 15.019 -4.536 4.607 1.00 0.00 C ATOM 960 CD ARG A 487 15.601 -3.313 3.914 1.00 0.00 C ATOM 961 NE ARG A 487 16.025 -2.293 4.869 1.00 0.00 N ATOM 962 CZ ARG A 487 17.159 -2.358 5.558 1.00 0.00 C ATOM 963 NH1 ARG A 487 17.978 -3.389 5.399 1.00 0.00 N ATOM 964 NH2 ARG A 487 17.476 -1.391 6.409 1.00 0.00 N ATOM 0 H ARG A 487 13.762 -7.672 2.699 1.00 0.00 H new ATOM 0 HA ARG A 487 13.095 -5.069 2.893 1.00 0.00 H new ATOM 0 HB2 ARG A 487 14.733 -6.626 4.256 1.00 0.00 H new ATOM 0 HB3 ARG A 487 15.976 -5.895 3.261 1.00 0.00 H new ATOM 0 HG2 ARG A 487 14.011 -4.313 4.956 1.00 0.00 H new ATOM 0 HG3 ARG A 487 15.615 -4.775 5.488 1.00 0.00 H new ATOM 0 HD2 ARG A 487 16.452 -3.613 3.303 1.00 0.00 H new ATOM 0 HD3 ARG A 487 14.857 -2.890 3.239 1.00 0.00 H new ATOM 0 HE ARG A 487 15.417 -1.487 5.015 1.00 0.00 H new ATOM 0 HH11 ARG A 487 17.738 -4.135 4.746 1.00 0.00 H new ATOM 0 HH12 ARG A 487 18.848 -3.436 5.930 1.00 0.00 H new ATOM 0 HH21 ARG A 487 16.849 -0.597 6.535 1.00 0.00 H new ATOM 0 HH22 ARG A 487 18.347 -1.442 6.937 1.00 0.00 H new ATOM 978 N GLU A 488 15.460 -5.418 0.616 1.00 0.00 N ATOM 979 CA GLU A 488 16.121 -4.751 -0.499 1.00 0.00 C ATOM 980 C GLU A 488 15.098 -4.223 -1.500 1.00 0.00 C ATOM 981 O GLU A 488 15.265 -3.140 -2.063 1.00 0.00 O ATOM 982 CB GLU A 488 17.086 -5.711 -1.197 1.00 0.00 C ATOM 983 CG GLU A 488 17.855 -5.075 -2.343 1.00 0.00 C ATOM 984 CD GLU A 488 17.010 -4.911 -3.592 1.00 0.00 C ATOM 985 OE1 GLU A 488 16.611 -5.940 -4.176 1.00 0.00 O ATOM 986 OE2 GLU A 488 16.749 -3.755 -3.985 1.00 0.00 O ATOM 0 H GLU A 488 15.717 -6.398 0.734 1.00 0.00 H new ATOM 0 HA GLU A 488 16.684 -3.907 -0.102 1.00 0.00 H new ATOM 0 HB2 GLU A 488 17.795 -6.096 -0.464 1.00 0.00 H new ATOM 0 HB3 GLU A 488 16.525 -6.565 -1.577 1.00 0.00 H new ATOM 0 HG2 GLU A 488 18.226 -4.099 -2.029 1.00 0.00 H new ATOM 0 HG3 GLU A 488 18.726 -5.688 -2.576 1.00 0.00 H new ATOM 993 N LEU A 489 14.040 -4.996 -1.719 1.00 0.00 N ATOM 994 CA LEU A 489 12.989 -4.607 -2.653 1.00 0.00 C ATOM 995 C LEU A 489 12.475 -3.205 -2.342 1.00 0.00 C ATOM 996 O LEU A 489 12.644 -2.280 -3.138 1.00 0.00 O ATOM 997 CB LEU A 489 11.835 -5.610 -2.599 1.00 0.00 C ATOM 998 CG LEU A 489 12.186 -7.056 -2.950 1.00 0.00 C ATOM 999 CD1 LEU A 489 11.048 -7.990 -2.564 1.00 0.00 C ATOM 1000 CD2 LEU A 489 12.503 -7.184 -4.432 1.00 0.00 C ATOM 0 H LEU A 489 13.887 -5.895 -1.263 1.00 0.00 H new ATOM 0 HA LEU A 489 13.413 -4.603 -3.657 1.00 0.00 H new ATOM 0 HB2 LEU A 489 11.412 -5.593 -1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 489 11.054 -5.271 -3.279 1.00 0.00 H new ATOM 0 HG LEU A 489 13.072 -7.342 -2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 489 11.315 -9.015 -2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 489 10.868 -7.920 -1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 489 10.144 -7.705 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 489 12.750 -8.220 -4.663 1.00 0.00 H new ATOM 0 HD22 LEU A 489 11.636 -6.879 -5.017 1.00 0.00 H new ATOM 0 HD23 LEU A 489 13.351 -6.545 -4.679 1.00 0.00 H new ATOM 1012 N LEU A 490 11.848 -3.055 -1.181 1.00 0.00 N ATOM 1013 CA LEU A 490 11.311 -1.765 -0.762 1.00 0.00 C ATOM 1014 C LEU A 490 12.290 -0.639 -1.079 1.00 0.00 C ATOM 1015 O LEU A 490 11.955 0.306 -1.794 1.00 0.00 O ATOM 1016 CB LEU A 490 11.001 -1.780 0.735 1.00 0.00 C ATOM 1017 CG LEU A 490 9.877 -2.717 1.179 1.00 0.00 C ATOM 1018 CD1 LEU A 490 9.880 -2.877 2.691 1.00 0.00 C ATOM 1019 CD2 LEU A 490 8.530 -2.198 0.698 1.00 0.00 C ATOM 0 H LEU A 490 11.699 -3.811 -0.513 1.00 0.00 H new ATOM 0 HA LEU A 490 10.389 -1.587 -1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 490 11.909 -2.055 1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 490 10.744 -0.766 1.043 1.00 0.00 H new ATOM 0 HG LEU A 490 10.048 -3.696 0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 490 9.073 -3.547 2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 490 10.835 -3.295 3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 490 9.734 -1.904 3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 490 7.741 -2.877 1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 490 8.351 -1.208 1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 490 8.531 -2.137 -0.390 1.00 0.00 H new ATOM 1031 N ASP A 491 13.501 -0.747 -0.544 1.00 0.00 N ATOM 1032 CA ASP A 491 14.531 0.261 -0.772 1.00 0.00 C ATOM 1033 C ASP A 491 14.504 0.748 -2.218 1.00 0.00 C ATOM 1034 O ASP A 491 14.628 1.943 -2.484 1.00 0.00 O ATOM 1035 CB ASP A 491 15.912 -0.306 -0.438 1.00 0.00 C ATOM 1036 CG ASP A 491 16.009 -0.783 0.998 1.00 0.00 C ATOM 1037 OD1 ASP A 491 15.211 -0.312 1.836 1.00 0.00 O ATOM 1038 OD2 ASP A 491 16.883 -1.628 1.284 1.00 0.00 O ATOM 0 H ASP A 491 13.794 -1.522 0.051 1.00 0.00 H new ATOM 0 HA ASP A 491 14.326 1.109 -0.118 1.00 0.00 H new ATOM 0 HB2 ASP A 491 16.133 -1.136 -1.109 1.00 0.00 H new ATOM 0 HB3 ASP A 491 16.668 0.458 -0.616 1.00 0.00 H new ATOM 1043 N LYS A 492 14.341 -0.187 -3.149 1.00 0.00 N ATOM 1044 CA LYS A 492 14.297 0.146 -4.568 1.00 0.00 C ATOM 1045 C LYS A 492 12.924 0.682 -4.959 1.00 0.00 C ATOM 1046 O LYS A 492 12.816 1.716 -5.617 1.00 0.00 O ATOM 1047 CB LYS A 492 14.635 -1.086 -5.411 1.00 0.00 C ATOM 1048 CG LYS A 492 14.951 -0.761 -6.861 1.00 0.00 C ATOM 1049 CD LYS A 492 15.789 -1.852 -7.507 1.00 0.00 C ATOM 1050 CE LYS A 492 15.993 -1.593 -8.992 1.00 0.00 C ATOM 1051 NZ LYS A 492 17.076 -2.443 -9.560 1.00 0.00 N ATOM 0 H LYS A 492 14.237 -1.181 -2.946 1.00 0.00 H new ATOM 0 HA LYS A 492 15.037 0.923 -4.757 1.00 0.00 H new ATOM 0 HB2 LYS A 492 15.489 -1.597 -4.967 1.00 0.00 H new ATOM 0 HB3 LYS A 492 13.796 -1.781 -5.377 1.00 0.00 H new ATOM 0 HG2 LYS A 492 14.022 -0.637 -7.418 1.00 0.00 H new ATOM 0 HG3 LYS A 492 15.484 0.188 -6.914 1.00 0.00 H new ATOM 0 HD2 LYS A 492 16.758 -1.910 -7.010 1.00 0.00 H new ATOM 0 HD3 LYS A 492 15.301 -2.817 -7.369 1.00 0.00 H new ATOM 0 HE2 LYS A 492 15.062 -1.786 -9.525 1.00 0.00 H new ATOM 0 HE3 LYS A 492 16.237 -0.542 -9.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 17.184 -2.237 -10.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 17.970 -2.241 -9.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 16.832 -3.446 -9.435 1.00 0.00 H new ATOM 1065 N MET A 493 11.878 -0.027 -4.547 1.00 0.00 N ATOM 1066 CA MET A 493 10.512 0.381 -4.853 1.00 0.00 C ATOM 1067 C MET A 493 10.278 1.837 -4.462 1.00 0.00 C ATOM 1068 O MET A 493 9.927 2.667 -5.302 1.00 0.00 O ATOM 1069 CB MET A 493 9.513 -0.521 -4.125 1.00 0.00 C ATOM 1070 CG MET A 493 8.074 -0.321 -4.575 1.00 0.00 C ATOM 1071 SD MET A 493 7.316 1.143 -3.845 1.00 0.00 S ATOM 1072 CE MET A 493 7.124 0.612 -2.145 1.00 0.00 C ATOM 0 H MET A 493 11.950 -0.886 -4.001 1.00 0.00 H new ATOM 0 HA MET A 493 10.363 0.284 -5.928 1.00 0.00 H new ATOM 0 HB2 MET A 493 9.793 -1.562 -4.284 1.00 0.00 H new ATOM 0 HB3 MET A 493 9.580 -0.333 -3.053 1.00 0.00 H new ATOM 0 HG2 MET A 493 8.045 -0.237 -5.661 1.00 0.00 H new ATOM 0 HG3 MET A 493 7.488 -1.200 -4.308 1.00 0.00 H new ATOM 0 HE1 MET A 493 6.075 0.687 -1.857 1.00 0.00 H new ATOM 0 HE2 MET A 493 7.455 -0.422 -2.047 1.00 0.00 H new ATOM 0 HE3 MET A 493 7.725 1.248 -1.495 1.00 0.00 H new ATOM 1082 N LEU A 494 10.475 2.140 -3.184 1.00 0.00 N ATOM 1083 CA LEU A 494 10.285 3.497 -2.682 1.00 0.00 C ATOM 1084 C LEU A 494 10.836 4.524 -3.666 1.00 0.00 C ATOM 1085 O LEU A 494 10.168 5.504 -3.995 1.00 0.00 O ATOM 1086 CB LEU A 494 10.968 3.659 -1.323 1.00 0.00 C ATOM 1087 CG LEU A 494 10.351 2.875 -0.164 1.00 0.00 C ATOM 1088 CD1 LEU A 494 11.223 2.983 1.078 1.00 0.00 C ATOM 1089 CD2 LEU A 494 8.942 3.372 0.126 1.00 0.00 C ATOM 0 H LEU A 494 10.766 1.465 -2.477 1.00 0.00 H new ATOM 0 HA LEU A 494 9.215 3.669 -2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 494 12.011 3.358 -1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 494 10.966 4.717 -1.062 1.00 0.00 H new ATOM 0 HG LEU A 494 10.292 1.825 -0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 494 10.768 2.419 1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 494 12.212 2.578 0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 494 11.314 4.030 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 494 8.519 2.803 0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 494 8.976 4.428 0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 494 8.321 3.241 -0.760 1.00 0.00 H new