USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 603 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 73 SER OG : rot 31:sc= 0.162 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0683) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 22:sc= 0.156 USER MOD Single : A 98 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.165) USER MOD Single : A 105 HIS : no HD1:sc= -3.91! K(o=-3.9!,f=-6.2) USER MOD Single : A 106 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.423) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.471 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.0147 USER MOD Single : A 125 LYS NZ :NH3+ 145:sc= -0.354 (180deg=-1.72!) USER MOD Single : A 130 ASN : amide:sc= -0.135 K(o=-0.14,f=-1.6!) USER MOD Single : A 131 MET CE :methyl 157:sc= -0.0813 (180deg=-0.74) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 GLN : amide:sc= -0.0355 K(o=-0.035,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 199 N SER A 73 -4.616 3.806 6.761 1.00 0.00 N ATOM 200 CA SER A 73 -3.257 3.661 6.252 1.00 0.00 C ATOM 201 C SER A 73 -3.244 2.840 4.966 1.00 0.00 C ATOM 202 O SER A 73 -2.673 1.751 4.918 1.00 0.00 O ATOM 203 CB SER A 73 -2.363 2.999 7.302 1.00 0.00 C ATOM 204 OG SER A 73 -2.482 3.649 8.555 1.00 0.00 O ATOM 0 HA SER A 73 -2.870 4.656 6.032 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.635 1.949 7.406 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.325 3.028 6.971 1.00 0.00 H new ATOM 0 HG SER A 73 -3.388 4.009 8.652 1.00 0.00 H new ATOM 210 N ARG A 74 -3.877 3.372 3.925 1.00 0.00 N ATOM 211 CA ARG A 74 -3.940 2.690 2.639 1.00 0.00 C ATOM 212 C ARG A 74 -2.810 3.150 1.723 1.00 0.00 C ATOM 213 O ARG A 74 -2.691 4.336 1.413 1.00 0.00 O ATOM 214 CB ARG A 74 -5.291 2.945 1.967 1.00 0.00 C ATOM 215 CG ARG A 74 -6.386 1.992 2.419 1.00 0.00 C ATOM 216 CD ARG A 74 -7.560 1.995 1.453 1.00 0.00 C ATOM 217 NE ARG A 74 -7.331 1.114 0.310 1.00 0.00 N ATOM 218 CZ ARG A 74 -7.442 -0.208 0.369 1.00 0.00 C ATOM 219 NH1 ARG A 74 -7.777 -0.799 1.507 1.00 0.00 N ATOM 220 NH2 ARG A 74 -7.218 -0.942 -0.714 1.00 0.00 N ATOM 0 H ARG A 74 -4.353 4.274 3.948 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.827 1.621 2.818 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.603 3.968 2.175 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.171 2.861 0.887 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.982 0.983 2.499 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.731 2.277 3.413 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.462 1.681 1.978 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.735 3.011 1.098 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.072 1.537 -0.581 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.951 -0.238 2.341 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.861 -1.815 1.549 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.961 -0.491 -1.592 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.303 -1.957 -0.668 1.00 0.00 H new ATOM 234 N LEU A 75 -1.981 2.204 1.294 1.00 0.00 N ATOM 235 CA LEU A 75 -0.859 2.512 0.413 1.00 0.00 C ATOM 236 C LEU A 75 -1.167 2.106 -1.024 1.00 0.00 C ATOM 237 O LEU A 75 -1.430 0.937 -1.307 1.00 0.00 O ATOM 238 CB LEU A 75 0.405 1.799 0.897 1.00 0.00 C ATOM 239 CG LEU A 75 1.141 2.457 2.064 1.00 0.00 C ATOM 240 CD1 LEU A 75 2.275 1.567 2.550 1.00 0.00 C ATOM 241 CD2 LEU A 75 1.671 3.825 1.658 1.00 0.00 C ATOM 0 H LEU A 75 -2.064 1.218 1.542 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.694 3.589 0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.136 0.784 1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.096 1.717 0.058 1.00 0.00 H new ATOM 0 HG LEU A 75 0.435 2.592 2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.787 2.052 3.381 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.870 0.611 2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.981 1.400 1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.192 4.278 2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.362 3.714 0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.839 4.463 1.360 1.00 0.00 H new ATOM 253 N PHE A 76 -1.132 3.079 -1.929 1.00 0.00 N ATOM 254 CA PHE A 76 -1.406 2.822 -3.338 1.00 0.00 C ATOM 255 C PHE A 76 -0.112 2.572 -4.107 1.00 0.00 C ATOM 256 O PHE A 76 0.818 3.377 -4.059 1.00 0.00 O ATOM 257 CB PHE A 76 -2.159 4.002 -3.956 1.00 0.00 C ATOM 258 CG PHE A 76 -2.333 3.890 -5.444 1.00 0.00 C ATOM 259 CD1 PHE A 76 -1.257 4.078 -6.296 1.00 0.00 C ATOM 260 CD2 PHE A 76 -3.572 3.596 -5.990 1.00 0.00 C ATOM 261 CE1 PHE A 76 -1.414 3.976 -7.665 1.00 0.00 C ATOM 262 CE2 PHE A 76 -3.735 3.493 -7.358 1.00 0.00 C ATOM 263 CZ PHE A 76 -2.654 3.682 -8.197 1.00 0.00 C ATOM 0 H PHE A 76 -0.917 4.052 -1.712 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.026 1.928 -3.405 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.140 4.081 -3.489 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.623 4.924 -3.729 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.285 4.307 -5.886 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.420 3.446 -5.339 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.567 4.126 -8.319 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.707 3.265 -7.771 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.778 3.600 -9.267 1.00 0.00 H new ATOM 273 N VAL A 77 -0.060 1.448 -4.816 1.00 0.00 N ATOM 274 CA VAL A 77 1.118 1.091 -5.596 1.00 0.00 C ATOM 275 C VAL A 77 0.804 1.069 -7.088 1.00 0.00 C ATOM 276 O VAL A 77 -0.009 0.269 -7.550 1.00 0.00 O ATOM 277 CB VAL A 77 1.671 -0.285 -5.179 1.00 0.00 C ATOM 278 CG1 VAL A 77 3.057 -0.504 -5.766 1.00 0.00 C ATOM 279 CG2 VAL A 77 1.699 -0.410 -3.663 1.00 0.00 C ATOM 0 H VAL A 77 -0.820 0.770 -4.866 1.00 0.00 H new ATOM 0 HA VAL A 77 1.872 1.853 -5.398 1.00 0.00 H new ATOM 0 HB VAL A 77 1.010 -1.057 -5.572 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.431 -1.481 -5.461 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.003 -0.460 -6.854 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.732 0.272 -5.405 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.092 -1.388 -3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.337 0.369 -3.245 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.688 -0.301 -3.270 1.00 0.00 H new ATOM 289 N GLY A 78 1.456 1.953 -7.838 1.00 0.00 N ATOM 290 CA GLY A 78 1.233 2.018 -9.270 1.00 0.00 C ATOM 291 C GLY A 78 2.454 1.603 -10.067 1.00 0.00 C ATOM 292 O GLY A 78 3.525 1.385 -9.503 1.00 0.00 O ATOM 0 H GLY A 78 2.134 2.625 -7.479 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.395 1.373 -9.534 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.952 3.035 -9.545 1.00 0.00 H new ATOM 296 N ASN A 79 2.291 1.492 -11.381 1.00 0.00 N ATOM 297 CA ASN A 79 3.389 1.097 -12.256 1.00 0.00 C ATOM 298 C ASN A 79 3.971 -0.246 -11.827 1.00 0.00 C ATOM 299 O ASN A 79 5.190 -0.417 -11.768 1.00 0.00 O ATOM 300 CB ASN A 79 4.484 2.166 -12.248 1.00 0.00 C ATOM 301 CG ASN A 79 4.275 3.216 -13.322 1.00 0.00 C ATOM 302 OD1 ASN A 79 3.153 3.669 -13.553 1.00 0.00 O ATOM 303 ND2 ASN A 79 5.357 3.609 -13.984 1.00 0.00 N ATOM 0 H ASN A 79 1.410 1.670 -11.863 1.00 0.00 H new ATOM 0 HA ASN A 79 2.996 0.996 -13.268 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.509 2.649 -11.271 1.00 0.00 H new ATOM 0 HB3 ASN A 79 5.454 1.690 -12.393 1.00 0.00 H new ATOM 0 HD21 ASN A 79 5.278 4.313 -14.717 1.00 0.00 H new ATOM 0 HD22 ASN A 79 6.267 3.206 -13.759 1.00 0.00 H new ATOM 310 N LEU A 80 3.093 -1.197 -11.530 1.00 0.00 N ATOM 311 CA LEU A 80 3.519 -2.527 -11.107 1.00 0.00 C ATOM 312 C LEU A 80 3.900 -3.385 -12.309 1.00 0.00 C ATOM 313 O LEU A 80 3.262 -3.341 -13.361 1.00 0.00 O ATOM 314 CB LEU A 80 2.406 -3.211 -10.310 1.00 0.00 C ATOM 315 CG LEU A 80 2.263 -2.778 -8.850 1.00 0.00 C ATOM 316 CD1 LEU A 80 0.917 -3.216 -8.293 1.00 0.00 C ATOM 317 CD2 LEU A 80 3.399 -3.345 -8.012 1.00 0.00 C ATOM 0 H LEU A 80 2.082 -1.072 -11.574 1.00 0.00 H new ATOM 0 HA LEU A 80 4.397 -2.415 -10.471 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.458 -3.028 -10.817 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.578 -4.287 -10.334 1.00 0.00 H new ATOM 0 HG LEU A 80 2.314 -1.690 -8.807 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.833 -2.899 -7.253 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.116 -2.761 -8.877 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.836 -4.302 -8.349 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.281 -3.027 -6.976 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.379 -4.434 -8.062 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.352 -2.981 -8.397 1.00 0.00 H new ATOM 329 N PRO A 81 4.964 -4.185 -12.151 1.00 0.00 N ATOM 330 CA PRO A 81 5.453 -5.071 -13.212 1.00 0.00 C ATOM 331 C PRO A 81 4.499 -6.229 -13.486 1.00 0.00 C ATOM 332 O PRO A 81 3.713 -6.633 -12.628 1.00 0.00 O ATOM 333 CB PRO A 81 6.780 -5.592 -12.656 1.00 0.00 C ATOM 334 CG PRO A 81 6.637 -5.493 -11.177 1.00 0.00 C ATOM 335 CD PRO A 81 5.772 -4.289 -10.924 1.00 0.00 C ATOM 0 HA PRO A 81 5.549 -4.551 -14.165 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.963 -6.620 -12.968 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.620 -4.996 -13.013 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.181 -6.394 -10.768 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.610 -5.382 -10.697 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.147 -4.422 -10.041 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.370 -3.392 -10.759 1.00 0.00 H new ATOM 343 N PRO A 82 4.568 -6.777 -14.708 1.00 0.00 N ATOM 344 CA PRO A 82 3.718 -7.898 -15.122 1.00 0.00 C ATOM 345 C PRO A 82 4.083 -9.196 -14.411 1.00 0.00 C ATOM 346 O PRO A 82 3.392 -10.206 -14.548 1.00 0.00 O ATOM 347 CB PRO A 82 3.991 -8.014 -16.623 1.00 0.00 C ATOM 348 CG PRO A 82 5.352 -7.437 -16.807 1.00 0.00 C ATOM 349 CD PRO A 82 5.481 -6.347 -15.779 1.00 0.00 C ATOM 0 HA PRO A 82 2.670 -7.727 -14.878 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.953 -9.052 -16.953 1.00 0.00 H new ATOM 0 HB3 PRO A 82 3.248 -7.468 -17.204 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.120 -8.197 -16.668 1.00 0.00 H new ATOM 0 HG3 PRO A 82 5.475 -7.040 -17.815 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.506 -6.253 -15.420 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.195 -5.376 -16.185 1.00 0.00 H new ATOM 357 N ASP A 83 5.174 -9.164 -13.653 1.00 0.00 N ATOM 358 CA ASP A 83 5.630 -10.338 -12.919 1.00 0.00 C ATOM 359 C ASP A 83 5.412 -10.161 -11.420 1.00 0.00 C ATOM 360 O ASP A 83 6.194 -10.654 -10.607 1.00 0.00 O ATOM 361 CB ASP A 83 7.110 -10.600 -13.204 1.00 0.00 C ATOM 362 CG ASP A 83 7.469 -12.069 -13.096 1.00 0.00 C ATOM 363 OD1 ASP A 83 6.793 -12.790 -12.333 1.00 0.00 O ATOM 364 OD2 ASP A 83 8.426 -12.498 -13.775 1.00 0.00 O ATOM 0 H ASP A 83 5.759 -8.337 -13.531 1.00 0.00 H new ATOM 0 HA ASP A 83 5.045 -11.195 -13.254 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.353 -10.242 -14.204 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.719 -10.028 -12.504 1.00 0.00 H new ATOM 369 N ILE A 84 4.345 -9.455 -11.062 1.00 0.00 N ATOM 370 CA ILE A 84 4.024 -9.213 -9.661 1.00 0.00 C ATOM 371 C ILE A 84 2.784 -9.993 -9.238 1.00 0.00 C ATOM 372 O ILE A 84 1.763 -9.980 -9.927 1.00 0.00 O ATOM 373 CB ILE A 84 3.794 -7.716 -9.386 1.00 0.00 C ATOM 374 CG1 ILE A 84 3.638 -7.468 -7.884 1.00 0.00 C ATOM 375 CG2 ILE A 84 2.567 -7.222 -10.139 1.00 0.00 C ATOM 376 CD1 ILE A 84 4.955 -7.415 -7.141 1.00 0.00 C ATOM 0 H ILE A 84 3.688 -9.040 -11.723 1.00 0.00 H new ATOM 0 HA ILE A 84 4.880 -9.553 -9.078 1.00 0.00 H new ATOM 0 HB ILE A 84 4.663 -7.160 -9.739 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.106 -6.529 -7.732 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.020 -8.257 -7.456 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.417 -6.162 -9.935 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.714 -7.368 -11.209 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.690 -7.782 -9.813 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.768 -7.236 -6.082 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.480 -8.363 -7.262 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.567 -6.608 -7.543 1.00 0.00 H new ATOM 388 N THR A 85 2.878 -10.672 -8.099 1.00 0.00 N ATOM 389 CA THR A 85 1.764 -11.457 -7.583 1.00 0.00 C ATOM 390 C THR A 85 1.583 -11.238 -6.085 1.00 0.00 C ATOM 391 O THR A 85 2.464 -10.697 -5.418 1.00 0.00 O ATOM 392 CB THR A 85 1.965 -12.961 -7.850 1.00 0.00 C ATOM 393 OG1 THR A 85 3.104 -13.439 -7.125 1.00 0.00 O ATOM 394 CG2 THR A 85 2.156 -13.226 -9.335 1.00 0.00 C ATOM 0 H THR A 85 3.715 -10.694 -7.516 1.00 0.00 H new ATOM 0 HA THR A 85 0.870 -11.119 -8.107 1.00 0.00 H new ATOM 0 HB THR A 85 1.073 -13.490 -7.515 1.00 0.00 H new ATOM 0 HG1 THR A 85 3.224 -14.396 -7.298 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.296 -14.294 -9.499 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.276 -12.887 -9.881 1.00 0.00 H new ATOM 0 HG23 THR A 85 3.034 -12.686 -9.691 1.00 0.00 H new ATOM 402 N GLU A 86 0.436 -11.662 -5.564 1.00 0.00 N ATOM 403 CA GLU A 86 0.142 -11.511 -4.144 1.00 0.00 C ATOM 404 C GLU A 86 1.345 -11.907 -3.293 1.00 0.00 C ATOM 405 O GLU A 86 1.573 -11.344 -2.223 1.00 0.00 O ATOM 406 CB GLU A 86 -1.071 -12.362 -3.758 1.00 0.00 C ATOM 407 CG GLU A 86 -2.344 -11.975 -4.491 1.00 0.00 C ATOM 408 CD GLU A 86 -2.431 -12.589 -5.875 1.00 0.00 C ATOM 409 OE1 GLU A 86 -2.414 -13.834 -5.974 1.00 0.00 O ATOM 410 OE2 GLU A 86 -2.516 -11.824 -6.859 1.00 0.00 O ATOM 0 H GLU A 86 -0.304 -12.112 -6.103 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.084 -10.461 -3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.849 -13.410 -3.961 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.239 -12.274 -2.685 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.207 -12.289 -3.904 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.394 -10.889 -4.576 1.00 0.00 H new ATOM 417 N GLU A 87 2.111 -12.879 -3.778 1.00 0.00 N ATOM 418 CA GLU A 87 3.291 -13.351 -3.062 1.00 0.00 C ATOM 419 C GLU A 87 4.357 -12.262 -2.993 1.00 0.00 C ATOM 420 O GLU A 87 4.795 -11.875 -1.910 1.00 0.00 O ATOM 421 CB GLU A 87 3.862 -14.598 -3.740 1.00 0.00 C ATOM 422 CG GLU A 87 3.281 -15.898 -3.212 1.00 0.00 C ATOM 423 CD GLU A 87 3.838 -16.277 -1.853 1.00 0.00 C ATOM 424 OE1 GLU A 87 5.056 -16.102 -1.641 1.00 0.00 O ATOM 425 OE2 GLU A 87 3.055 -16.748 -1.002 1.00 0.00 O ATOM 0 H GLU A 87 1.936 -13.355 -4.663 1.00 0.00 H new ATOM 0 HA GLU A 87 2.990 -13.605 -2.046 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.676 -14.536 -4.812 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.943 -14.612 -3.605 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.197 -15.806 -3.143 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.488 -16.699 -3.922 1.00 0.00 H new ATOM 432 N GLU A 88 4.771 -11.772 -4.158 1.00 0.00 N ATOM 433 CA GLU A 88 5.787 -10.729 -4.230 1.00 0.00 C ATOM 434 C GLU A 88 5.412 -9.542 -3.346 1.00 0.00 C ATOM 435 O GLU A 88 6.261 -8.974 -2.660 1.00 0.00 O ATOM 436 CB GLU A 88 5.971 -10.264 -5.676 1.00 0.00 C ATOM 437 CG GLU A 88 6.932 -11.127 -6.475 1.00 0.00 C ATOM 438 CD GLU A 88 7.546 -10.385 -7.647 1.00 0.00 C ATOM 439 OE1 GLU A 88 7.745 -9.158 -7.534 1.00 0.00 O ATOM 440 OE2 GLU A 88 7.827 -11.033 -8.677 1.00 0.00 O ATOM 0 H GLU A 88 4.418 -12.081 -5.064 1.00 0.00 H new ATOM 0 HA GLU A 88 6.726 -11.147 -3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.001 -10.259 -6.173 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.334 -9.236 -5.675 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.726 -11.483 -5.819 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.404 -12.007 -6.843 1.00 0.00 H new ATOM 447 N MET A 89 4.135 -9.174 -3.371 1.00 0.00 N ATOM 448 CA MET A 89 3.648 -8.056 -2.572 1.00 0.00 C ATOM 449 C MET A 89 3.819 -8.336 -1.082 1.00 0.00 C ATOM 450 O MET A 89 4.332 -7.500 -0.339 1.00 0.00 O ATOM 451 CB MET A 89 2.176 -7.781 -2.885 1.00 0.00 C ATOM 452 CG MET A 89 1.615 -6.571 -2.155 1.00 0.00 C ATOM 453 SD MET A 89 0.299 -5.753 -3.078 1.00 0.00 S ATOM 454 CE MET A 89 1.121 -4.240 -3.570 1.00 0.00 C ATOM 0 H MET A 89 3.420 -9.633 -3.935 1.00 0.00 H new ATOM 0 HA MET A 89 4.238 -7.176 -2.828 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.063 -7.632 -3.959 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.587 -8.659 -2.622 1.00 0.00 H new ATOM 0 HG2 MET A 89 1.232 -6.883 -1.183 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.419 -5.859 -1.968 1.00 0.00 H new ATOM 0 HE1 MET A 89 0.434 -3.625 -4.151 1.00 0.00 H new ATOM 0 HE2 MET A 89 1.436 -3.692 -2.682 1.00 0.00 H new ATOM 0 HE3 MET A 89 1.994 -4.481 -4.177 1.00 0.00 H new ATOM 464 N ARG A 90 3.386 -9.518 -0.653 1.00 0.00 N ATOM 465 CA ARG A 90 3.491 -9.907 0.748 1.00 0.00 C ATOM 466 C ARG A 90 4.940 -9.851 1.221 1.00 0.00 C ATOM 467 O ARG A 90 5.221 -9.456 2.352 1.00 0.00 O ATOM 468 CB ARG A 90 2.931 -11.316 0.951 1.00 0.00 C ATOM 469 CG ARG A 90 1.448 -11.340 1.285 1.00 0.00 C ATOM 470 CD ARG A 90 0.798 -12.641 0.840 1.00 0.00 C ATOM 471 NE ARG A 90 -0.660 -12.560 0.864 1.00 0.00 N ATOM 472 CZ ARG A 90 -1.455 -13.624 0.874 1.00 0.00 C ATOM 473 NH1 ARG A 90 -0.936 -14.844 0.863 1.00 0.00 N ATOM 474 NH2 ARG A 90 -2.773 -13.469 0.896 1.00 0.00 N ATOM 0 H ARG A 90 2.960 -10.222 -1.256 1.00 0.00 H new ATOM 0 HA ARG A 90 2.907 -9.202 1.340 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.100 -11.899 0.046 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.483 -11.805 1.753 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.314 -11.214 2.359 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.951 -10.499 0.801 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.131 -12.886 -0.169 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.127 -13.452 1.490 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.091 -11.636 0.874 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.076 -14.967 0.847 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.549 -15.659 0.871 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.176 -12.532 0.905 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.383 -14.287 0.904 1.00 0.00 H new ATOM 488 N LYS A 91 5.858 -10.251 0.347 1.00 0.00 N ATOM 489 CA LYS A 91 7.279 -10.246 0.673 1.00 0.00 C ATOM 490 C LYS A 91 7.833 -8.825 0.672 1.00 0.00 C ATOM 491 O LYS A 91 8.686 -8.479 1.491 1.00 0.00 O ATOM 492 CB LYS A 91 8.055 -11.109 -0.324 1.00 0.00 C ATOM 493 CG LYS A 91 9.384 -11.613 0.212 1.00 0.00 C ATOM 494 CD LYS A 91 10.161 -12.375 -0.848 1.00 0.00 C ATOM 495 CE LYS A 91 11.490 -12.882 -0.309 1.00 0.00 C ATOM 496 NZ LYS A 91 11.303 -13.955 0.707 1.00 0.00 N ATOM 0 H LYS A 91 5.643 -10.583 -0.593 1.00 0.00 H new ATOM 0 HA LYS A 91 7.398 -10.662 1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.440 -11.963 -0.608 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.234 -10.530 -1.230 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.978 -10.770 0.564 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.209 -12.260 1.071 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.566 -13.217 -1.202 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.339 -11.727 -1.706 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.094 -13.263 -1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.042 -12.053 0.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.226 -14.367 0.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.868 -13.552 1.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.684 -14.696 0.320 1.00 0.00 H new ATOM 510 N LEU A 92 7.344 -8.005 -0.252 1.00 0.00 N ATOM 511 CA LEU A 92 7.789 -6.620 -0.359 1.00 0.00 C ATOM 512 C LEU A 92 7.484 -5.850 0.922 1.00 0.00 C ATOM 513 O LEU A 92 8.271 -5.006 1.353 1.00 0.00 O ATOM 514 CB LEU A 92 7.115 -5.938 -1.551 1.00 0.00 C ATOM 515 CG LEU A 92 7.710 -6.246 -2.925 1.00 0.00 C ATOM 516 CD1 LEU A 92 6.756 -5.816 -4.029 1.00 0.00 C ATOM 517 CD2 LEU A 92 9.059 -5.561 -3.088 1.00 0.00 C ATOM 0 H LEU A 92 6.639 -8.275 -0.938 1.00 0.00 H new ATOM 0 HA LEU A 92 8.868 -6.621 -0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.063 -6.224 -1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.151 -4.860 -1.395 1.00 0.00 H new ATOM 0 HG LEU A 92 7.860 -7.323 -3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.197 -6.043 -5.000 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.813 -6.352 -3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.574 -4.744 -3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.468 -5.791 -4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.934 -4.483 -2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.743 -5.918 -2.318 1.00 0.00 H new ATOM 529 N PHE A 93 6.339 -6.147 1.527 1.00 0.00 N ATOM 530 CA PHE A 93 5.931 -5.483 2.759 1.00 0.00 C ATOM 531 C PHE A 93 6.025 -6.437 3.947 1.00 0.00 C ATOM 532 O PHE A 93 5.264 -6.323 4.908 1.00 0.00 O ATOM 533 CB PHE A 93 4.502 -4.952 2.629 1.00 0.00 C ATOM 534 CG PHE A 93 4.347 -3.908 1.560 1.00 0.00 C ATOM 535 CD1 PHE A 93 4.532 -4.231 0.225 1.00 0.00 C ATOM 536 CD2 PHE A 93 4.015 -2.604 1.890 1.00 0.00 C ATOM 537 CE1 PHE A 93 4.390 -3.271 -0.760 1.00 0.00 C ATOM 538 CE2 PHE A 93 3.871 -1.641 0.910 1.00 0.00 C ATOM 539 CZ PHE A 93 4.058 -1.975 -0.417 1.00 0.00 C ATOM 0 H PHE A 93 5.677 -6.843 1.184 1.00 0.00 H new ATOM 0 HA PHE A 93 6.607 -4.646 2.932 1.00 0.00 H new ATOM 0 HB2 PHE A 93 3.832 -5.784 2.413 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.191 -4.531 3.585 1.00 0.00 H new ATOM 0 HD1 PHE A 93 4.790 -5.243 -0.049 1.00 0.00 H new ATOM 0 HD2 PHE A 93 3.867 -2.337 2.926 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.539 -3.534 -1.797 1.00 0.00 H new ATOM 0 HE2 PHE A 93 3.612 -0.628 1.181 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.945 -1.224 -1.185 1.00 0.00 H new ATOM 549 N GLU A 94 6.962 -7.376 3.872 1.00 0.00 N ATOM 550 CA GLU A 94 7.154 -8.350 4.940 1.00 0.00 C ATOM 551 C GLU A 94 7.820 -7.705 6.152 1.00 0.00 C ATOM 552 O GLU A 94 7.388 -7.899 7.289 1.00 0.00 O ATOM 553 CB GLU A 94 8.000 -9.525 4.444 1.00 0.00 C ATOM 554 CG GLU A 94 9.451 -9.160 4.179 1.00 0.00 C ATOM 555 CD GLU A 94 10.191 -10.235 3.406 1.00 0.00 C ATOM 556 OE1 GLU A 94 9.964 -11.430 3.689 1.00 0.00 O ATOM 557 OE2 GLU A 94 10.997 -9.882 2.521 1.00 0.00 O ATOM 0 H GLU A 94 7.600 -7.483 3.083 1.00 0.00 H new ATOM 0 HA GLU A 94 6.173 -8.719 5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.964 -10.325 5.183 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.560 -9.918 3.528 1.00 0.00 H new ATOM 0 HG2 GLU A 94 9.490 -8.224 3.621 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.957 -8.987 5.129 1.00 0.00 H new ATOM 564 N LYS A 95 8.875 -6.938 5.901 1.00 0.00 N ATOM 565 CA LYS A 95 9.602 -6.263 6.969 1.00 0.00 C ATOM 566 C LYS A 95 8.645 -5.508 7.886 1.00 0.00 C ATOM 567 O LYS A 95 8.876 -5.406 9.091 1.00 0.00 O ATOM 568 CB LYS A 95 10.631 -5.295 6.380 1.00 0.00 C ATOM 569 CG LYS A 95 11.816 -5.036 7.295 1.00 0.00 C ATOM 570 CD LYS A 95 12.395 -3.648 7.079 1.00 0.00 C ATOM 571 CE LYS A 95 13.118 -3.547 5.744 1.00 0.00 C ATOM 572 NZ LYS A 95 14.196 -2.520 5.773 1.00 0.00 N ATOM 0 H LYS A 95 9.246 -6.768 4.966 1.00 0.00 H new ATOM 0 HA LYS A 95 10.119 -7.020 7.558 1.00 0.00 H new ATOM 0 HB2 LYS A 95 10.994 -5.696 5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 95 10.140 -4.347 6.158 1.00 0.00 H new ATOM 0 HG2 LYS A 95 11.505 -5.144 8.334 1.00 0.00 H new ATOM 0 HG3 LYS A 95 12.587 -5.785 7.114 1.00 0.00 H new ATOM 0 HD2 LYS A 95 11.595 -2.909 7.117 1.00 0.00 H new ATOM 0 HD3 LYS A 95 13.087 -3.411 7.887 1.00 0.00 H new ATOM 0 HE2 LYS A 95 13.547 -4.516 5.489 1.00 0.00 H new ATOM 0 HE3 LYS A 95 12.401 -3.299 4.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 14.664 -2.482 4.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 13.784 -1.590 5.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 14.894 -2.769 6.503 1.00 0.00 H new ATOM 586 N TYR A 96 7.571 -4.982 7.308 1.00 0.00 N ATOM 587 CA TYR A 96 6.580 -4.236 8.074 1.00 0.00 C ATOM 588 C TYR A 96 5.388 -5.119 8.429 1.00 0.00 C ATOM 589 O TYR A 96 4.258 -4.644 8.539 1.00 0.00 O ATOM 590 CB TYR A 96 6.106 -3.015 7.283 1.00 0.00 C ATOM 591 CG TYR A 96 7.159 -2.448 6.357 1.00 0.00 C ATOM 592 CD1 TYR A 96 8.185 -1.650 6.847 1.00 0.00 C ATOM 593 CD2 TYR A 96 7.128 -2.711 4.993 1.00 0.00 C ATOM 594 CE1 TYR A 96 9.148 -1.129 6.005 1.00 0.00 C ATOM 595 CE2 TYR A 96 8.088 -2.195 4.144 1.00 0.00 C ATOM 596 CZ TYR A 96 9.096 -1.404 4.655 1.00 0.00 C ATOM 597 OH TYR A 96 10.054 -0.888 3.813 1.00 0.00 O ATOM 0 H TYR A 96 7.365 -5.058 6.312 1.00 0.00 H new ATOM 0 HA TYR A 96 7.050 -3.902 8.999 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.229 -3.290 6.697 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.792 -2.239 7.981 1.00 0.00 H new ATOM 0 HD1 TYR A 96 8.230 -1.433 7.904 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.340 -3.329 4.590 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.938 -0.509 6.402 1.00 0.00 H new ATOM 0 HE2 TYR A 96 8.049 -2.410 3.086 1.00 0.00 H new ATOM 0 HH TYR A 96 10.857 -0.664 4.329 1.00 0.00 H new ATOM 607 N GLY A 97 5.649 -6.411 8.608 1.00 0.00 N ATOM 608 CA GLY A 97 4.589 -7.342 8.949 1.00 0.00 C ATOM 609 C GLY A 97 3.657 -7.611 7.784 1.00 0.00 C ATOM 610 O GLY A 97 3.776 -6.992 6.727 1.00 0.00 O ATOM 0 H GLY A 97 6.575 -6.829 8.523 1.00 0.00 H new ATOM 0 HA2 GLY A 97 5.029 -8.282 9.283 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.015 -6.944 9.785 1.00 0.00 H new ATOM 614 N LYS A 98 2.726 -8.539 7.977 1.00 0.00 N ATOM 615 CA LYS A 98 1.769 -8.891 6.934 1.00 0.00 C ATOM 616 C LYS A 98 0.746 -7.777 6.736 1.00 0.00 C ATOM 617 O LYS A 98 0.284 -7.168 7.700 1.00 0.00 O ATOM 618 CB LYS A 98 1.054 -10.197 7.289 1.00 0.00 C ATOM 619 CG LYS A 98 1.840 -11.442 6.916 1.00 0.00 C ATOM 620 CD LYS A 98 1.552 -11.876 5.489 1.00 0.00 C ATOM 621 CE LYS A 98 0.145 -12.438 5.350 1.00 0.00 C ATOM 622 NZ LYS A 98 0.057 -13.447 4.259 1.00 0.00 N ATOM 0 H LYS A 98 2.614 -9.061 8.846 1.00 0.00 H new ATOM 0 HA LYS A 98 2.318 -9.026 6.002 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.853 -10.212 8.360 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.089 -10.222 6.783 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.906 -11.248 7.030 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.588 -12.251 7.601 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.673 -11.026 4.818 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.278 -12.630 5.183 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.159 -12.894 6.292 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.553 -11.625 5.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.811 -13.289 3.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.884 -13.356 3.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.037 -14.402 4.670 1.00 0.00 H new ATOM 636 N ALA A 99 0.397 -7.517 5.480 1.00 0.00 N ATOM 637 CA ALA A 99 -0.573 -6.479 5.156 1.00 0.00 C ATOM 638 C ALA A 99 -2.000 -6.993 5.313 1.00 0.00 C ATOM 639 O ALA A 99 -2.300 -8.136 4.970 1.00 0.00 O ATOM 640 CB ALA A 99 -0.346 -5.967 3.741 1.00 0.00 C ATOM 0 H ALA A 99 0.772 -8.011 4.670 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.433 -5.654 5.855 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.078 -5.192 3.513 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.659 -5.552 3.661 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.456 -6.790 3.034 1.00 0.00 H new ATOM 646 N GLY A 100 -2.878 -6.141 5.834 1.00 0.00 N ATOM 647 CA GLY A 100 -4.263 -6.528 6.027 1.00 0.00 C ATOM 648 C GLY A 100 -4.961 -6.855 4.722 1.00 0.00 C ATOM 649 O GLY A 100 -5.665 -7.859 4.622 1.00 0.00 O ATOM 0 H GLY A 100 -2.654 -5.190 6.126 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.306 -7.395 6.686 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.796 -5.720 6.528 1.00 0.00 H new ATOM 653 N GLU A 101 -4.768 -6.003 3.720 1.00 0.00 N ATOM 654 CA GLU A 101 -5.388 -6.206 2.415 1.00 0.00 C ATOM 655 C GLU A 101 -4.348 -6.128 1.301 1.00 0.00 C ATOM 656 O GLU A 101 -3.523 -5.215 1.270 1.00 0.00 O ATOM 657 CB GLU A 101 -6.484 -5.165 2.179 1.00 0.00 C ATOM 658 CG GLU A 101 -7.458 -5.546 1.077 1.00 0.00 C ATOM 659 CD GLU A 101 -8.580 -6.438 1.572 1.00 0.00 C ATOM 660 OE1 GLU A 101 -8.287 -7.421 2.284 1.00 0.00 O ATOM 661 OE2 GLU A 101 -9.751 -6.152 1.247 1.00 0.00 O ATOM 0 H GLU A 101 -4.188 -5.167 3.786 1.00 0.00 H new ATOM 0 HA GLU A 101 -5.834 -7.201 2.403 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.038 -5.016 3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -6.020 -4.211 1.928 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -7.883 -4.640 0.644 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -6.917 -6.057 0.280 1.00 0.00 H new ATOM 668 N VAL A 102 -4.394 -7.093 0.388 1.00 0.00 N ATOM 669 CA VAL A 102 -3.458 -7.134 -0.729 1.00 0.00 C ATOM 670 C VAL A 102 -4.175 -7.451 -2.036 1.00 0.00 C ATOM 671 O VAL A 102 -4.601 -8.584 -2.264 1.00 0.00 O ATOM 672 CB VAL A 102 -2.352 -8.181 -0.495 1.00 0.00 C ATOM 673 CG1 VAL A 102 -1.608 -8.469 -1.790 1.00 0.00 C ATOM 674 CG2 VAL A 102 -1.393 -7.710 0.587 1.00 0.00 C ATOM 0 H VAL A 102 -5.070 -7.857 0.400 1.00 0.00 H new ATOM 0 HA VAL A 102 -3.004 -6.145 -0.799 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.817 -9.107 -0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.831 -9.211 -1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -2.307 -8.853 -2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -1.153 -7.550 -2.160 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.618 -8.462 0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -0.932 -6.771 0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -1.940 -7.559 1.518 1.00 0.00 H new ATOM 684 N PHE A 103 -4.305 -6.444 -2.893 1.00 0.00 N ATOM 685 CA PHE A 103 -4.971 -6.614 -4.178 1.00 0.00 C ATOM 686 C PHE A 103 -4.093 -6.105 -5.318 1.00 0.00 C ATOM 687 O PHE A 103 -3.539 -5.008 -5.245 1.00 0.00 O ATOM 688 CB PHE A 103 -6.312 -5.877 -4.184 1.00 0.00 C ATOM 689 CG PHE A 103 -7.408 -6.622 -3.477 1.00 0.00 C ATOM 690 CD1 PHE A 103 -7.313 -6.902 -2.124 1.00 0.00 C ATOM 691 CD2 PHE A 103 -8.535 -7.041 -4.166 1.00 0.00 C ATOM 692 CE1 PHE A 103 -8.320 -7.588 -1.471 1.00 0.00 C ATOM 693 CE2 PHE A 103 -9.546 -7.727 -3.519 1.00 0.00 C ATOM 694 CZ PHE A 103 -9.438 -8.000 -2.170 1.00 0.00 C ATOM 0 H PHE A 103 -3.957 -5.501 -2.720 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.149 -7.679 -4.328 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.184 -4.902 -3.713 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.613 -5.696 -5.216 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -6.442 -6.581 -1.572 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -8.625 -6.829 -5.221 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -8.233 -7.802 -0.416 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -10.419 -8.049 -4.068 1.00 0.00 H new ATOM 0 HZ PHE A 103 -10.227 -8.535 -1.662 1.00 0.00 H new ATOM 704 N ILE A 104 -3.972 -6.910 -6.368 1.00 0.00 N ATOM 705 CA ILE A 104 -3.162 -6.541 -7.523 1.00 0.00 C ATOM 706 C ILE A 104 -3.956 -6.678 -8.817 1.00 0.00 C ATOM 707 O ILE A 104 -4.386 -7.773 -9.182 1.00 0.00 O ATOM 708 CB ILE A 104 -1.892 -7.406 -7.619 1.00 0.00 C ATOM 709 CG1 ILE A 104 -1.001 -7.182 -6.395 1.00 0.00 C ATOM 710 CG2 ILE A 104 -1.132 -7.091 -8.899 1.00 0.00 C ATOM 711 CD1 ILE A 104 0.090 -8.218 -6.244 1.00 0.00 C ATOM 0 H ILE A 104 -4.424 -7.821 -6.443 1.00 0.00 H new ATOM 0 HA ILE A 104 -2.872 -5.499 -7.386 1.00 0.00 H new ATOM 0 HB ILE A 104 -2.186 -8.455 -7.643 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -0.546 -6.194 -6.463 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -1.621 -7.186 -5.499 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -0.237 -7.710 -8.952 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -1.768 -7.297 -9.760 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -0.846 -6.039 -8.903 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.682 -7.996 -5.356 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -0.358 -9.207 -6.144 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.734 -8.199 -7.123 1.00 0.00 H new ATOM 723 N HIS A 105 -4.147 -5.559 -9.509 1.00 0.00 N ATOM 724 CA HIS A 105 -4.888 -5.554 -10.766 1.00 0.00 C ATOM 725 C HIS A 105 -3.940 -5.426 -11.955 1.00 0.00 C ATOM 726 O HIS A 105 -3.172 -4.469 -12.049 1.00 0.00 O ATOM 727 CB HIS A 105 -5.901 -4.409 -10.780 1.00 0.00 C ATOM 728 CG HIS A 105 -7.027 -4.618 -11.746 1.00 0.00 C ATOM 729 ND1 HIS A 105 -7.466 -3.639 -12.612 1.00 0.00 N ATOM 730 CD2 HIS A 105 -7.803 -5.702 -11.980 1.00 0.00 C ATOM 731 CE1 HIS A 105 -8.465 -4.112 -13.336 1.00 0.00 C ATOM 732 NE2 HIS A 105 -8.689 -5.362 -12.972 1.00 0.00 N ATOM 0 H HIS A 105 -3.799 -4.644 -9.221 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.421 -6.501 -10.850 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -6.311 -4.285 -9.778 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -5.386 -3.482 -11.030 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -7.737 -6.657 -11.479 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -9.007 -3.569 -14.096 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -9.404 -5.975 -13.364 1.00 0.00 H new ATOM 740 N LYS A 106 -4.000 -6.397 -12.860 1.00 0.00 N ATOM 741 CA LYS A 106 -3.148 -6.393 -14.043 1.00 0.00 C ATOM 742 C LYS A 106 -3.780 -5.575 -15.166 1.00 0.00 C ATOM 743 O LYS A 106 -3.147 -4.679 -15.725 1.00 0.00 O ATOM 744 CB LYS A 106 -2.898 -7.826 -14.521 1.00 0.00 C ATOM 745 CG LYS A 106 -1.868 -7.925 -15.632 1.00 0.00 C ATOM 746 CD LYS A 106 -1.154 -9.266 -15.613 1.00 0.00 C ATOM 747 CE LYS A 106 -1.948 -10.331 -16.354 1.00 0.00 C ATOM 748 NZ LYS A 106 -3.009 -10.929 -15.496 1.00 0.00 N ATOM 0 H LYS A 106 -4.630 -7.197 -12.797 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.197 -5.934 -13.774 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -2.568 -8.430 -13.676 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.838 -8.253 -14.870 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.357 -7.786 -16.596 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -1.139 -7.122 -15.526 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -0.169 -9.162 -16.069 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -0.996 -9.581 -14.581 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -2.403 -9.892 -17.242 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -1.273 -11.115 -16.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -3.247 -11.878 -15.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -2.665 -11.000 -14.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -3.857 -10.327 -15.522 1.00 0.00 H new ATOM 762 N ASP A 107 -5.029 -5.889 -15.489 1.00 0.00 N ATOM 763 CA ASP A 107 -5.747 -5.180 -16.543 1.00 0.00 C ATOM 764 C ASP A 107 -5.370 -3.702 -16.558 1.00 0.00 C ATOM 765 O ASP A 107 -5.031 -3.148 -17.604 1.00 0.00 O ATOM 766 CB ASP A 107 -7.257 -5.333 -16.352 1.00 0.00 C ATOM 767 CG ASP A 107 -8.051 -4.452 -17.296 1.00 0.00 C ATOM 768 OD1 ASP A 107 -8.152 -3.236 -17.031 1.00 0.00 O ATOM 769 OD2 ASP A 107 -8.572 -4.979 -18.301 1.00 0.00 O ATOM 0 H ASP A 107 -5.566 -6.629 -15.037 1.00 0.00 H new ATOM 0 HA ASP A 107 -5.464 -5.618 -17.500 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.537 -6.375 -16.510 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -7.517 -5.085 -15.323 1.00 0.00 H new ATOM 774 N LYS A 108 -5.433 -3.069 -15.392 1.00 0.00 N ATOM 775 CA LYS A 108 -5.098 -1.655 -15.270 1.00 0.00 C ATOM 776 C LYS A 108 -3.622 -1.472 -14.931 1.00 0.00 C ATOM 777 O LYS A 108 -3.036 -0.427 -15.208 1.00 0.00 O ATOM 778 CB LYS A 108 -5.964 -0.996 -14.194 1.00 0.00 C ATOM 779 CG LYS A 108 -7.456 -1.136 -14.443 1.00 0.00 C ATOM 780 CD LYS A 108 -8.268 -0.674 -13.245 1.00 0.00 C ATOM 781 CE LYS A 108 -8.471 0.833 -13.258 1.00 0.00 C ATOM 782 NZ LYS A 108 -9.703 1.233 -12.523 1.00 0.00 N ATOM 0 H LYS A 108 -5.713 -3.513 -14.517 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.294 -1.177 -16.230 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.723 -1.436 -13.226 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.712 0.063 -14.135 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -7.736 -0.552 -15.320 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -7.693 -2.177 -14.664 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -9.237 -1.173 -13.247 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -7.761 -0.966 -12.326 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -7.606 1.320 -12.808 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -8.533 1.182 -14.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -9.806 2.267 -12.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -10.532 0.789 -12.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.633 0.922 -11.533 1.00 0.00 H new ATOM 796 N GLY A 109 -3.026 -2.498 -14.331 1.00 0.00 N ATOM 797 CA GLY A 109 -1.623 -2.431 -13.967 1.00 0.00 C ATOM 798 C GLY A 109 -1.390 -1.624 -12.704 1.00 0.00 C ATOM 799 O GLY A 109 -0.468 -0.811 -12.640 1.00 0.00 O ATOM 0 H GLY A 109 -3.490 -3.374 -14.091 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.239 -3.441 -13.825 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.059 -1.988 -14.787 1.00 0.00 H new ATOM 803 N PHE A 110 -2.229 -1.847 -11.698 1.00 0.00 N ATOM 804 CA PHE A 110 -2.112 -1.133 -10.432 1.00 0.00 C ATOM 805 C PHE A 110 -2.465 -2.043 -9.260 1.00 0.00 C ATOM 806 O PHE A 110 -3.223 -3.001 -9.409 1.00 0.00 O ATOM 807 CB PHE A 110 -3.022 0.097 -10.430 1.00 0.00 C ATOM 808 CG PHE A 110 -2.540 1.201 -11.328 1.00 0.00 C ATOM 809 CD1 PHE A 110 -2.922 1.246 -12.659 1.00 0.00 C ATOM 810 CD2 PHE A 110 -1.705 2.193 -10.840 1.00 0.00 C ATOM 811 CE1 PHE A 110 -2.480 2.261 -13.487 1.00 0.00 C ATOM 812 CE2 PHE A 110 -1.260 3.210 -11.663 1.00 0.00 C ATOM 813 CZ PHE A 110 -1.647 3.244 -12.988 1.00 0.00 C ATOM 0 H PHE A 110 -2.998 -2.517 -11.735 1.00 0.00 H new ATOM 0 HA PHE A 110 -1.077 -0.811 -10.320 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -4.024 -0.201 -10.740 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.103 0.477 -9.412 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -3.572 0.480 -13.054 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -1.398 2.171 -9.805 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -2.785 2.286 -14.523 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -0.610 3.978 -11.270 1.00 0.00 H new ATOM 0 HZ PHE A 110 -1.299 4.037 -13.633 1.00 0.00 H new ATOM 823 N GLY A 111 -1.909 -1.736 -8.091 1.00 0.00 N ATOM 824 CA GLY A 111 -2.176 -2.535 -6.910 1.00 0.00 C ATOM 825 C GLY A 111 -2.472 -1.686 -5.690 1.00 0.00 C ATOM 826 O GLY A 111 -2.118 -0.507 -5.644 1.00 0.00 O ATOM 0 H GLY A 111 -1.279 -0.948 -7.942 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -3.023 -3.194 -7.105 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.316 -3.173 -6.705 1.00 0.00 H new ATOM 830 N PHE A 112 -3.126 -2.283 -4.699 1.00 0.00 N ATOM 831 CA PHE A 112 -3.472 -1.573 -3.474 1.00 0.00 C ATOM 832 C PHE A 112 -3.203 -2.440 -2.247 1.00 0.00 C ATOM 833 O PHE A 112 -3.656 -3.583 -2.171 1.00 0.00 O ATOM 834 CB PHE A 112 -4.943 -1.151 -3.502 1.00 0.00 C ATOM 835 CG PHE A 112 -5.326 -0.394 -4.741 1.00 0.00 C ATOM 836 CD1 PHE A 112 -5.354 -1.025 -5.974 1.00 0.00 C ATOM 837 CD2 PHE A 112 -5.657 0.950 -4.673 1.00 0.00 C ATOM 838 CE1 PHE A 112 -5.706 -0.331 -7.116 1.00 0.00 C ATOM 839 CE2 PHE A 112 -6.010 1.649 -5.811 1.00 0.00 C ATOM 840 CZ PHE A 112 -6.034 1.008 -7.035 1.00 0.00 C ATOM 0 H PHE A 112 -3.427 -3.257 -4.721 1.00 0.00 H new ATOM 0 HA PHE A 112 -2.847 -0.682 -3.411 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -5.569 -2.039 -3.421 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -5.152 -0.533 -2.629 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -5.098 -2.072 -6.044 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -5.639 1.457 -3.719 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.725 -0.835 -8.071 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -6.267 2.696 -5.744 1.00 0.00 H new ATOM 0 HZ PHE A 112 -6.309 1.553 -7.926 1.00 0.00 H new ATOM 850 N ILE A 113 -2.464 -1.889 -1.291 1.00 0.00 N ATOM 851 CA ILE A 113 -2.135 -2.612 -0.068 1.00 0.00 C ATOM 852 C ILE A 113 -2.622 -1.857 1.164 1.00 0.00 C ATOM 853 O ILE A 113 -2.747 -0.632 1.145 1.00 0.00 O ATOM 854 CB ILE A 113 -0.619 -2.850 0.055 1.00 0.00 C ATOM 855 CG1 ILE A 113 -0.327 -3.855 1.170 1.00 0.00 C ATOM 856 CG2 ILE A 113 0.104 -1.537 0.315 1.00 0.00 C ATOM 857 CD1 ILE A 113 0.975 -4.603 0.984 1.00 0.00 C ATOM 0 H ILE A 113 -2.081 -0.945 -1.339 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.642 -3.575 -0.125 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.254 -3.263 -0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.301 -3.329 2.124 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.145 -4.573 1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 113 1.175 -1.722 0.400 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.082 -0.850 -0.510 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.263 -1.097 1.243 1.00 0.00 H new ATOM 0 HD11 ILE A 113 1.117 -5.298 1.812 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.945 -5.157 0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.802 -3.893 0.960 1.00 0.00 H new ATOM 869 N ARG A 114 -2.893 -2.596 2.235 1.00 0.00 N ATOM 870 CA ARG A 114 -3.365 -1.996 3.477 1.00 0.00 C ATOM 871 C ARG A 114 -2.696 -2.648 4.684 1.00 0.00 C ATOM 872 O ARG A 114 -2.810 -3.856 4.893 1.00 0.00 O ATOM 873 CB ARG A 114 -4.885 -2.132 3.589 1.00 0.00 C ATOM 874 CG ARG A 114 -5.437 -1.704 4.939 1.00 0.00 C ATOM 875 CD ARG A 114 -5.279 -2.803 5.978 1.00 0.00 C ATOM 876 NE ARG A 114 -6.329 -2.752 6.992 1.00 0.00 N ATOM 877 CZ ARG A 114 -6.447 -1.771 7.879 1.00 0.00 C ATOM 878 NH1 ARG A 114 -5.585 -0.763 7.877 1.00 0.00 N ATOM 879 NH2 ARG A 114 -7.430 -1.795 8.771 1.00 0.00 N ATOM 0 H ARG A 114 -2.794 -3.611 2.267 1.00 0.00 H new ATOM 0 HA ARG A 114 -3.101 -0.938 3.463 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -5.353 -1.533 2.808 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -5.163 -3.170 3.405 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -4.920 -0.805 5.276 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -6.491 -1.446 4.837 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -5.299 -3.774 5.484 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -4.305 -2.710 6.459 1.00 0.00 H new ATOM 0 HE ARG A 114 -7.009 -3.512 7.020 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -4.829 -0.740 7.193 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -5.678 -0.011 8.560 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -8.096 -2.568 8.776 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -7.519 -1.041 9.452 1.00 0.00 H new ATOM 893 N LEU A 115 -1.998 -1.840 5.474 1.00 0.00 N ATOM 894 CA LEU A 115 -1.309 -2.337 6.660 1.00 0.00 C ATOM 895 C LEU A 115 -2.159 -2.130 7.910 1.00 0.00 C ATOM 896 O LEU A 115 -3.160 -1.415 7.880 1.00 0.00 O ATOM 897 CB LEU A 115 0.039 -1.633 6.824 1.00 0.00 C ATOM 898 CG LEU A 115 0.865 -1.460 5.550 1.00 0.00 C ATOM 899 CD1 LEU A 115 2.199 -0.801 5.864 1.00 0.00 C ATOM 900 CD2 LEU A 115 1.079 -2.803 4.866 1.00 0.00 C ATOM 0 H LEU A 115 -1.894 -0.838 5.315 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.140 -3.406 6.530 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.138 -0.648 7.255 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.634 -2.194 7.545 1.00 0.00 H new ATOM 0 HG LEU A 115 0.314 -0.812 4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.773 -0.686 4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.025 0.179 6.308 1.00 0.00 H new ATOM 0 HD13 LEU A 115 2.756 -1.423 6.565 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.669 -2.660 3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.608 -3.475 5.542 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.113 -3.236 4.605 1.00 0.00 H new ATOM 912 N GLU A 116 -1.751 -2.760 9.008 1.00 0.00 N ATOM 913 CA GLU A 116 -2.475 -2.643 10.268 1.00 0.00 C ATOM 914 C GLU A 116 -2.239 -1.278 10.907 1.00 0.00 C ATOM 915 O GLU A 116 -3.124 -0.421 10.913 1.00 0.00 O ATOM 916 CB GLU A 116 -2.047 -3.751 11.233 1.00 0.00 C ATOM 917 CG GLU A 116 -2.656 -3.621 12.618 1.00 0.00 C ATOM 918 CD GLU A 116 -1.796 -4.253 13.696 1.00 0.00 C ATOM 919 OE1 GLU A 116 -1.206 -5.322 13.432 1.00 0.00 O ATOM 920 OE2 GLU A 116 -1.712 -3.679 14.801 1.00 0.00 O ATOM 0 H GLU A 116 -0.924 -3.356 9.050 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.539 -2.746 10.056 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -2.327 -4.716 10.811 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -0.961 -3.745 11.321 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.803 -2.566 12.848 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -3.640 -4.089 12.623 1.00 0.00 H new ATOM 927 N THR A 117 -1.039 -1.082 11.445 1.00 0.00 N ATOM 928 CA THR A 117 -0.686 0.177 12.087 1.00 0.00 C ATOM 929 C THR A 117 -0.440 1.272 11.055 1.00 0.00 C ATOM 930 O THR A 117 -0.595 1.051 9.854 1.00 0.00 O ATOM 931 CB THR A 117 0.569 0.026 12.968 1.00 0.00 C ATOM 932 OG1 THR A 117 1.709 -0.259 12.150 1.00 0.00 O ATOM 933 CG2 THR A 117 0.382 -1.084 13.991 1.00 0.00 C ATOM 0 H THR A 117 -0.295 -1.780 11.448 1.00 0.00 H new ATOM 0 HA THR A 117 -1.531 0.458 12.716 1.00 0.00 H new ATOM 0 HB THR A 117 0.729 0.964 13.499 1.00 0.00 H new ATOM 0 HG1 THR A 117 2.503 -0.352 12.717 1.00 0.00 H new ATOM 0 HG21 THR A 117 1.281 -1.172 14.601 1.00 0.00 H new ATOM 0 HG22 THR A 117 -0.469 -0.850 14.630 1.00 0.00 H new ATOM 0 HG23 THR A 117 0.200 -2.027 13.476 1.00 0.00 H new ATOM 941 N ARG A 118 -0.055 2.451 11.531 1.00 0.00 N ATOM 942 CA ARG A 118 0.212 3.581 10.648 1.00 0.00 C ATOM 943 C ARG A 118 1.713 3.778 10.457 1.00 0.00 C ATOM 944 O ARG A 118 2.206 3.825 9.329 1.00 0.00 O ATOM 945 CB ARG A 118 -0.413 4.857 11.214 1.00 0.00 C ATOM 946 CG ARG A 118 0.109 5.231 12.592 1.00 0.00 C ATOM 947 CD ARG A 118 -0.794 6.248 13.273 1.00 0.00 C ATOM 948 NE ARG A 118 -0.444 7.619 12.911 1.00 0.00 N ATOM 949 CZ ARG A 118 0.681 8.215 13.291 1.00 0.00 C ATOM 950 NH1 ARG A 118 1.560 7.564 14.039 1.00 0.00 N ATOM 951 NH2 ARG A 118 0.927 9.465 12.921 1.00 0.00 N ATOM 0 H ARG A 118 0.079 2.649 12.523 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.235 3.366 9.678 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -0.222 5.681 10.526 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -1.494 4.730 11.267 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.182 4.336 13.210 1.00 0.00 H new ATOM 0 HG3 ARG A 118 1.116 5.639 12.502 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -1.831 6.054 12.998 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -0.723 6.129 14.354 1.00 0.00 H new ATOM 0 HE ARG A 118 -1.099 8.148 12.335 1.00 0.00 H new ATOM 0 HH11 ARG A 118 1.374 6.603 14.325 1.00 0.00 H new ATOM 0 HH12 ARG A 118 2.423 8.024 14.329 1.00 0.00 H new ATOM 0 HH21 ARG A 118 0.252 9.968 12.345 1.00 0.00 H new ATOM 0 HH22 ARG A 118 1.791 9.923 13.213 1.00 0.00 H new ATOM 965 N THR A 119 2.436 3.893 11.566 1.00 0.00 N ATOM 966 CA THR A 119 3.880 4.087 11.521 1.00 0.00 C ATOM 967 C THR A 119 4.514 3.245 10.420 1.00 0.00 C ATOM 968 O THR A 119 5.405 3.707 9.706 1.00 0.00 O ATOM 969 CB THR A 119 4.537 3.729 12.868 1.00 0.00 C ATOM 970 OG1 THR A 119 3.813 4.337 13.943 1.00 0.00 O ATOM 971 CG2 THR A 119 5.986 4.190 12.902 1.00 0.00 C ATOM 0 H THR A 119 2.045 3.855 12.507 1.00 0.00 H new ATOM 0 HA THR A 119 4.051 5.143 11.311 1.00 0.00 H new ATOM 0 HB THR A 119 4.514 2.645 12.982 1.00 0.00 H new ATOM 0 HG1 THR A 119 4.236 4.103 14.796 1.00 0.00 H new ATOM 0 HG21 THR A 119 6.429 3.927 13.862 1.00 0.00 H new ATOM 0 HG22 THR A 119 6.542 3.703 12.100 1.00 0.00 H new ATOM 0 HG23 THR A 119 6.027 5.271 12.768 1.00 0.00 H new ATOM 979 N LEU A 120 4.048 2.008 10.286 1.00 0.00 N ATOM 980 CA LEU A 120 4.570 1.100 9.270 1.00 0.00 C ATOM 981 C LEU A 120 4.256 1.614 7.869 1.00 0.00 C ATOM 982 O LEU A 120 5.141 1.707 7.018 1.00 0.00 O ATOM 983 CB LEU A 120 3.980 -0.299 9.456 1.00 0.00 C ATOM 984 CG LEU A 120 4.505 -1.095 10.652 1.00 0.00 C ATOM 985 CD1 LEU A 120 3.684 -2.359 10.853 1.00 0.00 C ATOM 986 CD2 LEU A 120 5.975 -1.437 10.460 1.00 0.00 C ATOM 0 H LEU A 120 3.310 1.611 10.868 1.00 0.00 H new ATOM 0 HA LEU A 120 5.653 1.049 9.385 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.898 -0.205 9.554 1.00 0.00 H new ATOM 0 HB3 LEU A 120 4.170 -0.875 8.550 1.00 0.00 H new ATOM 0 HG LEU A 120 4.409 -0.478 11.546 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.072 -2.913 11.708 1.00 0.00 H new ATOM 0 HD12 LEU A 120 2.643 -2.092 11.036 1.00 0.00 H new ATOM 0 HD13 LEU A 120 3.748 -2.980 9.960 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.332 -2.003 11.320 1.00 0.00 H new ATOM 0 HD22 LEU A 120 6.094 -2.035 9.557 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.553 -0.518 10.365 1.00 0.00 H new ATOM 998 N ALA A 121 2.991 1.948 7.636 1.00 0.00 N ATOM 999 CA ALA A 121 2.562 2.457 6.339 1.00 0.00 C ATOM 1000 C ALA A 121 3.461 3.596 5.871 1.00 0.00 C ATOM 1001 O ALA A 121 3.956 3.585 4.745 1.00 0.00 O ATOM 1002 CB ALA A 121 1.114 2.919 6.407 1.00 0.00 C ATOM 0 H ALA A 121 2.245 1.875 8.328 1.00 0.00 H new ATOM 0 HA ALA A 121 2.640 1.647 5.614 1.00 0.00 H new ATOM 0 HB1 ALA A 121 0.806 3.297 5.432 1.00 0.00 H new ATOM 0 HB2 ALA A 121 0.477 2.080 6.689 1.00 0.00 H new ATOM 0 HB3 ALA A 121 1.019 3.711 7.149 1.00 0.00 H new ATOM 1008 N GLU A 122 3.667 4.579 6.743 1.00 0.00 N ATOM 1009 CA GLU A 122 4.506 5.726 6.417 1.00 0.00 C ATOM 1010 C GLU A 122 5.921 5.280 6.059 1.00 0.00 C ATOM 1011 O GLU A 122 6.368 5.452 4.924 1.00 0.00 O ATOM 1012 CB GLU A 122 4.549 6.705 7.592 1.00 0.00 C ATOM 1013 CG GLU A 122 3.415 7.716 7.583 1.00 0.00 C ATOM 1014 CD GLU A 122 3.585 8.791 8.639 1.00 0.00 C ATOM 1015 OE1 GLU A 122 4.711 9.315 8.775 1.00 0.00 O ATOM 1016 OE2 GLU A 122 2.593 9.109 9.328 1.00 0.00 O ATOM 0 H GLU A 122 3.264 4.604 7.680 1.00 0.00 H new ATOM 0 HA GLU A 122 4.072 6.228 5.552 1.00 0.00 H new ATOM 0 HB2 GLU A 122 4.515 6.142 8.525 1.00 0.00 H new ATOM 0 HB3 GLU A 122 5.500 7.238 7.576 1.00 0.00 H new ATOM 0 HG2 GLU A 122 3.357 8.183 6.600 1.00 0.00 H new ATOM 0 HG3 GLU A 122 2.470 7.198 7.746 1.00 0.00 H new ATOM 1023 N ILE A 123 6.619 4.709 7.034 1.00 0.00 N ATOM 1024 CA ILE A 123 7.982 4.238 6.822 1.00 0.00 C ATOM 1025 C ILE A 123 8.096 3.448 5.523 1.00 0.00 C ATOM 1026 O ILE A 123 9.066 3.592 4.779 1.00 0.00 O ATOM 1027 CB ILE A 123 8.462 3.356 7.990 1.00 0.00 C ATOM 1028 CG1 ILE A 123 8.460 4.155 9.295 1.00 0.00 C ATOM 1029 CG2 ILE A 123 9.850 2.805 7.702 1.00 0.00 C ATOM 1030 CD1 ILE A 123 8.519 3.289 10.534 1.00 0.00 C ATOM 0 H ILE A 123 6.263 4.561 7.979 1.00 0.00 H new ATOM 0 HA ILE A 123 8.615 5.123 6.762 1.00 0.00 H new ATOM 0 HB ILE A 123 7.775 2.517 8.099 1.00 0.00 H new ATOM 0 HG12 ILE A 123 9.312 4.835 9.296 1.00 0.00 H new ATOM 0 HG13 ILE A 123 7.561 4.770 9.334 1.00 0.00 H new ATOM 0 HG21 ILE A 123 10.175 2.184 8.537 1.00 0.00 H new ATOM 0 HG22 ILE A 123 9.822 2.205 6.792 1.00 0.00 H new ATOM 0 HG23 ILE A 123 10.549 3.631 7.570 1.00 0.00 H new ATOM 0 HD11 ILE A 123 8.514 3.922 11.421 1.00 0.00 H new ATOM 0 HD12 ILE A 123 7.654 2.627 10.556 1.00 0.00 H new ATOM 0 HD13 ILE A 123 9.432 2.693 10.518 1.00 0.00 H new ATOM 1042 N ALA A 124 7.096 2.613 5.256 1.00 0.00 N ATOM 1043 CA ALA A 124 7.082 1.803 4.044 1.00 0.00 C ATOM 1044 C ALA A 124 6.783 2.656 2.816 1.00 0.00 C ATOM 1045 O ALA A 124 7.220 2.343 1.709 1.00 0.00 O ATOM 1046 CB ALA A 124 6.061 0.682 4.172 1.00 0.00 C ATOM 0 H ALA A 124 6.286 2.480 5.862 1.00 0.00 H new ATOM 0 HA ALA A 124 8.072 1.366 3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 124 6.060 0.085 3.260 1.00 0.00 H new ATOM 0 HB2 ALA A 124 6.320 0.049 5.021 1.00 0.00 H new ATOM 0 HB3 ALA A 124 5.070 1.108 4.327 1.00 0.00 H new ATOM 1052 N LYS A 125 6.034 3.734 3.019 1.00 0.00 N ATOM 1053 CA LYS A 125 5.676 4.634 1.929 1.00 0.00 C ATOM 1054 C LYS A 125 6.918 5.289 1.334 1.00 0.00 C ATOM 1055 O LYS A 125 7.141 5.236 0.124 1.00 0.00 O ATOM 1056 CB LYS A 125 4.707 5.710 2.425 1.00 0.00 C ATOM 1057 CG LYS A 125 3.777 6.236 1.345 1.00 0.00 C ATOM 1058 CD LYS A 125 4.492 7.204 0.417 1.00 0.00 C ATOM 1059 CE LYS A 125 4.483 8.619 0.974 1.00 0.00 C ATOM 1060 NZ LYS A 125 5.625 8.859 1.899 1.00 0.00 N ATOM 0 H LYS A 125 5.663 4.006 3.929 1.00 0.00 H new ATOM 0 HA LYS A 125 5.189 4.046 1.151 1.00 0.00 H new ATOM 0 HB2 LYS A 125 4.109 5.301 3.240 1.00 0.00 H new ATOM 0 HB3 LYS A 125 5.280 6.541 2.836 1.00 0.00 H new ATOM 0 HG2 LYS A 125 3.381 5.401 0.767 1.00 0.00 H new ATOM 0 HG3 LYS A 125 2.926 6.736 1.808 1.00 0.00 H new ATOM 0 HD2 LYS A 125 5.521 6.876 0.270 1.00 0.00 H new ATOM 0 HD3 LYS A 125 4.012 7.194 -0.561 1.00 0.00 H new ATOM 0 HE2 LYS A 125 4.526 9.333 0.152 1.00 0.00 H new ATOM 0 HE3 LYS A 125 3.545 8.796 1.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 5.953 9.841 1.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 5.318 8.695 2.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 6.403 8.209 1.667 1.00 0.00 H new ATOM 1074 N VAL A 126 7.726 5.905 2.192 1.00 0.00 N ATOM 1075 CA VAL A 126 8.947 6.567 1.751 1.00 0.00 C ATOM 1076 C VAL A 126 9.975 5.555 1.259 1.00 0.00 C ATOM 1077 O VAL A 126 10.551 5.714 0.184 1.00 0.00 O ATOM 1078 CB VAL A 126 9.570 7.406 2.883 1.00 0.00 C ATOM 1079 CG1 VAL A 126 10.905 7.988 2.444 1.00 0.00 C ATOM 1080 CG2 VAL A 126 8.615 8.509 3.315 1.00 0.00 C ATOM 0 H VAL A 126 7.556 5.959 3.196 1.00 0.00 H new ATOM 0 HA VAL A 126 8.670 7.227 0.929 1.00 0.00 H new ATOM 0 HB VAL A 126 9.749 6.755 3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 126 11.330 8.577 3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 126 11.588 7.178 2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 126 10.755 8.626 1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 126 9.071 9.092 4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 126 8.404 9.160 2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 126 7.686 8.066 3.673 1.00 0.00 H new ATOM 1090 N GLU A 127 10.200 4.513 2.055 1.00 0.00 N ATOM 1091 CA GLU A 127 11.159 3.475 1.699 1.00 0.00 C ATOM 1092 C GLU A 127 10.896 2.949 0.291 1.00 0.00 C ATOM 1093 O GLU A 127 11.769 3.001 -0.577 1.00 0.00 O ATOM 1094 CB GLU A 127 11.094 2.323 2.705 1.00 0.00 C ATOM 1095 CG GLU A 127 11.996 2.518 3.913 1.00 0.00 C ATOM 1096 CD GLU A 127 12.415 1.206 4.545 1.00 0.00 C ATOM 1097 OE1 GLU A 127 13.454 0.652 4.128 1.00 0.00 O ATOM 1098 OE2 GLU A 127 11.705 0.732 5.457 1.00 0.00 O ATOM 0 H GLU A 127 9.731 4.366 2.949 1.00 0.00 H new ATOM 0 HA GLU A 127 12.156 3.915 1.723 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.065 2.207 3.045 1.00 0.00 H new ATOM 0 HB3 GLU A 127 11.370 1.396 2.202 1.00 0.00 H new ATOM 0 HG2 GLU A 127 12.885 3.072 3.612 1.00 0.00 H new ATOM 0 HG3 GLU A 127 11.477 3.125 4.655 1.00 0.00 H new ATOM 1105 N LEU A 128 9.688 2.443 0.071 1.00 0.00 N ATOM 1106 CA LEU A 128 9.308 1.907 -1.231 1.00 0.00 C ATOM 1107 C LEU A 128 9.221 3.018 -2.273 1.00 0.00 C ATOM 1108 O LEU A 128 9.605 2.832 -3.428 1.00 0.00 O ATOM 1109 CB LEU A 128 7.967 1.178 -1.134 1.00 0.00 C ATOM 1110 CG LEU A 128 7.924 -0.025 -0.191 1.00 0.00 C ATOM 1111 CD1 LEU A 128 6.494 -0.508 -0.007 1.00 0.00 C ATOM 1112 CD2 LEU A 128 8.804 -1.148 -0.721 1.00 0.00 C ATOM 0 H LEU A 128 8.954 2.393 0.778 1.00 0.00 H new ATOM 0 HA LEU A 128 10.077 1.200 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 128 7.210 1.893 -0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 128 7.686 0.842 -2.132 1.00 0.00 H new ATOM 0 HG LEU A 128 8.309 0.285 0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 128 6.483 -1.365 0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 128 5.890 0.295 0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 128 6.082 -0.801 -0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 128 8.762 -1.996 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 128 8.448 -1.456 -1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 128 9.833 -0.797 -0.801 1.00 0.00 H new ATOM 1124 N ASP A 129 8.716 4.174 -1.856 1.00 0.00 N ATOM 1125 CA ASP A 129 8.582 5.317 -2.752 1.00 0.00 C ATOM 1126 C ASP A 129 9.854 5.519 -3.569 1.00 0.00 C ATOM 1127 O ASP A 129 10.932 5.733 -3.016 1.00 0.00 O ATOM 1128 CB ASP A 129 8.267 6.583 -1.954 1.00 0.00 C ATOM 1129 CG ASP A 129 8.769 7.839 -2.639 1.00 0.00 C ATOM 1130 OD1 ASP A 129 8.696 7.906 -3.884 1.00 0.00 O ATOM 1131 OD2 ASP A 129 9.236 8.756 -1.930 1.00 0.00 O ATOM 0 H ASP A 129 8.393 4.344 -0.904 1.00 0.00 H new ATOM 0 HA ASP A 129 7.759 5.115 -3.438 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.189 6.658 -1.808 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.718 6.507 -0.965 1.00 0.00 H new ATOM 1136 N ASN A 130 9.720 5.449 -4.890 1.00 0.00 N ATOM 1137 CA ASN A 130 10.860 5.623 -5.784 1.00 0.00 C ATOM 1138 C ASN A 130 11.793 4.418 -5.716 1.00 0.00 C ATOM 1139 O ASN A 130 13.009 4.554 -5.847 1.00 0.00 O ATOM 1140 CB ASN A 130 11.627 6.897 -5.424 1.00 0.00 C ATOM 1141 CG ASN A 130 12.312 7.518 -6.627 1.00 0.00 C ATOM 1142 OD1 ASN A 130 11.849 7.379 -7.759 1.00 0.00 O ATOM 1143 ND2 ASN A 130 13.421 8.207 -6.385 1.00 0.00 N ATOM 0 H ASN A 130 8.834 5.273 -5.365 1.00 0.00 H new ATOM 0 HA ASN A 130 10.482 5.710 -6.802 1.00 0.00 H new ATOM 0 HB2 ASN A 130 10.939 7.621 -4.987 1.00 0.00 H new ATOM 0 HB3 ASN A 130 12.373 6.666 -4.663 1.00 0.00 H new ATOM 0 HD21 ASN A 130 13.926 8.647 -7.154 1.00 0.00 H new ATOM 0 HD22 ASN A 130 13.768 8.296 -5.430 1.00 0.00 H new ATOM 1150 N MET A 131 11.215 3.239 -5.510 1.00 0.00 N ATOM 1151 CA MET A 131 11.995 2.010 -5.426 1.00 0.00 C ATOM 1152 C MET A 131 11.915 1.225 -6.732 1.00 0.00 C ATOM 1153 O MET A 131 10.836 0.857 -7.198 1.00 0.00 O ATOM 1154 CB MET A 131 11.499 1.144 -4.266 1.00 0.00 C ATOM 1155 CG MET A 131 12.326 -0.113 -4.050 1.00 0.00 C ATOM 1156 SD MET A 131 11.665 -1.163 -2.742 1.00 0.00 S ATOM 1157 CE MET A 131 11.049 -2.547 -3.698 1.00 0.00 C ATOM 0 H MET A 131 10.210 3.109 -5.398 1.00 0.00 H new ATOM 0 HA MET A 131 13.036 2.281 -5.249 1.00 0.00 H new ATOM 0 HB2 MET A 131 11.508 1.737 -3.351 1.00 0.00 H new ATOM 0 HB3 MET A 131 10.463 0.860 -4.452 1.00 0.00 H new ATOM 0 HG2 MET A 131 12.367 -0.680 -4.980 1.00 0.00 H new ATOM 0 HG3 MET A 131 13.350 0.168 -3.802 1.00 0.00 H new ATOM 0 HE1 MET A 131 10.990 -3.431 -3.062 1.00 0.00 H new ATOM 0 HE2 MET A 131 10.057 -2.310 -4.084 1.00 0.00 H new ATOM 0 HE3 MET A 131 11.725 -2.744 -4.530 1.00 0.00 H new ATOM 1167 N PRO A 132 13.082 0.963 -7.339 1.00 0.00 N ATOM 1168 CA PRO A 132 13.170 0.220 -8.599 1.00 0.00 C ATOM 1169 C PRO A 132 12.815 -1.254 -8.429 1.00 0.00 C ATOM 1170 O PRO A 132 13.310 -1.921 -7.520 1.00 0.00 O ATOM 1171 CB PRO A 132 14.639 0.373 -9.000 1.00 0.00 C ATOM 1172 CG PRO A 132 15.359 0.607 -7.717 1.00 0.00 C ATOM 1173 CD PRO A 132 14.406 1.372 -6.840 1.00 0.00 C ATOM 0 HA PRO A 132 12.469 0.597 -9.344 1.00 0.00 H new ATOM 0 HB2 PRO A 132 15.007 -0.521 -9.503 1.00 0.00 H new ATOM 0 HB3 PRO A 132 14.777 1.206 -9.689 1.00 0.00 H new ATOM 0 HG2 PRO A 132 15.645 -0.337 -7.252 1.00 0.00 H new ATOM 0 HG3 PRO A 132 16.276 1.172 -7.882 1.00 0.00 H new ATOM 0 HD2 PRO A 132 14.535 1.118 -5.788 1.00 0.00 H new ATOM 0 HD3 PRO A 132 14.554 2.448 -6.928 1.00 0.00 H new ATOM 1181 N LEU A 133 11.955 -1.756 -9.309 1.00 0.00 N ATOM 1182 CA LEU A 133 11.534 -3.151 -9.256 1.00 0.00 C ATOM 1183 C LEU A 133 11.618 -3.797 -10.635 1.00 0.00 C ATOM 1184 O LEU A 133 11.018 -3.314 -11.596 1.00 0.00 O ATOM 1185 CB LEU A 133 10.106 -3.254 -8.718 1.00 0.00 C ATOM 1186 CG LEU A 133 9.474 -4.646 -8.751 1.00 0.00 C ATOM 1187 CD1 LEU A 133 10.170 -5.571 -7.765 1.00 0.00 C ATOM 1188 CD2 LEU A 133 7.985 -4.564 -8.449 1.00 0.00 C ATOM 0 H LEU A 133 11.536 -1.218 -10.067 1.00 0.00 H new ATOM 0 HA LEU A 133 12.207 -3.683 -8.584 1.00 0.00 H new ATOM 0 HB2 LEU A 133 10.101 -2.899 -7.687 1.00 0.00 H new ATOM 0 HB3 LEU A 133 9.474 -2.576 -9.291 1.00 0.00 H new ATOM 0 HG LEU A 133 9.598 -5.057 -9.753 1.00 0.00 H new ATOM 0 HD11 LEU A 133 9.707 -6.557 -7.802 1.00 0.00 H new ATOM 0 HD12 LEU A 133 11.225 -5.655 -8.027 1.00 0.00 H new ATOM 0 HD13 LEU A 133 10.078 -5.165 -6.758 1.00 0.00 H new ATOM 0 HD21 LEU A 133 7.552 -5.564 -8.477 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.838 -4.133 -7.459 1.00 0.00 H new ATOM 0 HD23 LEU A 133 7.497 -3.937 -9.195 1.00 0.00 H new ATOM 1200 N ARG A 134 12.364 -4.894 -10.725 1.00 0.00 N ATOM 1201 CA ARG A 134 12.525 -5.607 -11.986 1.00 0.00 C ATOM 1202 C ARG A 134 12.753 -4.631 -13.137 1.00 0.00 C ATOM 1203 O ARG A 134 12.317 -4.870 -14.263 1.00 0.00 O ATOM 1204 CB ARG A 134 11.293 -6.469 -12.270 1.00 0.00 C ATOM 1205 CG ARG A 134 11.376 -7.864 -11.674 1.00 0.00 C ATOM 1206 CD ARG A 134 11.382 -7.821 -10.154 1.00 0.00 C ATOM 1207 NE ARG A 134 12.733 -7.681 -9.616 1.00 0.00 N ATOM 1208 CZ ARG A 134 13.687 -8.591 -9.779 1.00 0.00 C ATOM 1209 NH1 ARG A 134 13.439 -9.701 -10.461 1.00 0.00 N ATOM 1210 NH2 ARG A 134 14.891 -8.392 -9.260 1.00 0.00 N ATOM 0 H ARG A 134 12.866 -5.308 -9.939 1.00 0.00 H new ATOM 0 HA ARG A 134 13.399 -6.252 -11.901 1.00 0.00 H new ATOM 0 HB2 ARG A 134 10.410 -5.967 -11.876 1.00 0.00 H new ATOM 0 HB3 ARG A 134 11.158 -6.551 -13.349 1.00 0.00 H new ATOM 0 HG2 ARG A 134 10.530 -8.459 -12.019 1.00 0.00 H new ATOM 0 HG3 ARG A 134 12.280 -8.359 -12.029 1.00 0.00 H new ATOM 0 HD2 ARG A 134 10.768 -6.988 -9.812 1.00 0.00 H new ATOM 0 HD3 ARG A 134 10.929 -8.732 -9.764 1.00 0.00 H new ATOM 0 HE ARG A 134 12.956 -6.838 -9.086 1.00 0.00 H new ATOM 0 HH11 ARG A 134 12.514 -9.857 -10.862 1.00 0.00 H new ATOM 0 HH12 ARG A 134 14.173 -10.398 -10.585 1.00 0.00 H new ATOM 0 HH21 ARG A 134 15.085 -7.539 -8.735 1.00 0.00 H new ATOM 0 HH22 ARG A 134 15.623 -9.092 -9.386 1.00 0.00 H new ATOM 1224 N GLY A 135 13.439 -3.530 -12.846 1.00 0.00 N ATOM 1225 CA GLY A 135 13.712 -2.535 -13.866 1.00 0.00 C ATOM 1226 C GLY A 135 12.525 -1.627 -14.123 1.00 0.00 C ATOM 1227 O GLY A 135 12.356 -1.110 -15.227 1.00 0.00 O ATOM 0 H GLY A 135 13.810 -3.310 -11.922 1.00 0.00 H new ATOM 0 HA2 GLY A 135 14.567 -1.932 -13.561 1.00 0.00 H new ATOM 0 HA3 GLY A 135 13.989 -3.036 -14.793 1.00 0.00 H new ATOM 1231 N LYS A 136 11.699 -1.432 -13.100 1.00 0.00 N ATOM 1232 CA LYS A 136 10.521 -0.581 -13.219 1.00 0.00 C ATOM 1233 C LYS A 136 10.461 0.426 -12.075 1.00 0.00 C ATOM 1234 O LYS A 136 11.131 0.262 -11.057 1.00 0.00 O ATOM 1235 CB LYS A 136 9.250 -1.433 -13.230 1.00 0.00 C ATOM 1236 CG LYS A 136 9.222 -2.469 -14.341 1.00 0.00 C ATOM 1237 CD LYS A 136 8.591 -1.913 -15.606 1.00 0.00 C ATOM 1238 CE LYS A 136 7.072 -1.914 -15.518 1.00 0.00 C ATOM 1239 NZ LYS A 136 6.444 -1.416 -16.773 1.00 0.00 N ATOM 0 H LYS A 136 11.824 -1.852 -12.179 1.00 0.00 H new ATOM 0 HA LYS A 136 10.592 -0.034 -14.159 1.00 0.00 H new ATOM 0 HB2 LYS A 136 9.154 -1.940 -12.270 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.385 -0.778 -13.333 1.00 0.00 H new ATOM 0 HG2 LYS A 136 10.238 -2.801 -14.556 1.00 0.00 H new ATOM 0 HG3 LYS A 136 8.664 -3.344 -14.009 1.00 0.00 H new ATOM 0 HD2 LYS A 136 8.946 -0.896 -15.775 1.00 0.00 H new ATOM 0 HD3 LYS A 136 8.907 -2.507 -16.463 1.00 0.00 H new ATOM 0 HE2 LYS A 136 6.721 -2.925 -15.312 1.00 0.00 H new ATOM 0 HE3 LYS A 136 6.756 -1.291 -14.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 5.409 -1.432 -16.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 6.759 -0.442 -16.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 6.725 -2.026 -17.567 1.00 0.00 H new ATOM 1253 N GLN A 137 9.652 1.466 -12.251 1.00 0.00 N ATOM 1254 CA GLN A 137 9.504 2.499 -11.232 1.00 0.00 C ATOM 1255 C GLN A 137 8.221 2.295 -10.433 1.00 0.00 C ATOM 1256 O GLN A 137 7.119 2.367 -10.979 1.00 0.00 O ATOM 1257 CB GLN A 137 9.502 3.886 -11.878 1.00 0.00 C ATOM 1258 CG GLN A 137 8.625 4.893 -11.153 1.00 0.00 C ATOM 1259 CD GLN A 137 8.977 6.327 -11.496 1.00 0.00 C ATOM 1260 OE1 GLN A 137 9.826 6.583 -12.351 1.00 0.00 O ATOM 1261 NE2 GLN A 137 8.325 7.273 -10.830 1.00 0.00 N ATOM 0 H GLN A 137 9.090 1.616 -13.089 1.00 0.00 H new ATOM 0 HA GLN A 137 10.351 2.425 -10.550 1.00 0.00 H new ATOM 0 HB2 GLN A 137 10.524 4.264 -11.911 1.00 0.00 H new ATOM 0 HB3 GLN A 137 9.162 3.797 -12.910 1.00 0.00 H new ATOM 0 HG2 GLN A 137 7.581 4.709 -11.406 1.00 0.00 H new ATOM 0 HG3 GLN A 137 8.723 4.746 -10.077 1.00 0.00 H new ATOM 0 HE21 GLN A 137 7.629 7.016 -10.130 1.00 0.00 H new ATOM 0 HE22 GLN A 137 8.520 8.256 -11.019 1.00 0.00 H new ATOM 1270 N LEU A 138 8.371 2.042 -9.138 1.00 0.00 N ATOM 1271 CA LEU A 138 7.224 1.827 -8.262 1.00 0.00 C ATOM 1272 C LEU A 138 6.690 3.153 -7.730 1.00 0.00 C ATOM 1273 O LEU A 138 7.436 3.949 -7.159 1.00 0.00 O ATOM 1274 CB LEU A 138 7.611 0.915 -7.097 1.00 0.00 C ATOM 1275 CG LEU A 138 7.683 -0.580 -7.410 1.00 0.00 C ATOM 1276 CD1 LEU A 138 8.455 -1.316 -6.325 1.00 0.00 C ATOM 1277 CD2 LEU A 138 6.285 -1.162 -7.560 1.00 0.00 C ATOM 0 H LEU A 138 9.276 1.981 -8.671 1.00 0.00 H new ATOM 0 HA LEU A 138 6.437 1.347 -8.844 1.00 0.00 H new ATOM 0 HB2 LEU A 138 8.582 1.234 -6.719 1.00 0.00 H new ATOM 0 HB3 LEU A 138 6.892 1.063 -6.292 1.00 0.00 H new ATOM 0 HG LEU A 138 8.212 -0.709 -8.355 1.00 0.00 H new ATOM 0 HD11 LEU A 138 8.496 -2.379 -6.565 1.00 0.00 H new ATOM 0 HD12 LEU A 138 9.468 -0.918 -6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 138 7.955 -1.179 -5.366 1.00 0.00 H new ATOM 0 HD21 LEU A 138 6.356 -2.227 -7.783 1.00 0.00 H new ATOM 0 HD22 LEU A 138 5.731 -1.021 -6.632 1.00 0.00 H new ATOM 0 HD23 LEU A 138 5.765 -0.655 -8.373 1.00 0.00 H new ATOM 1289 N ARG A 139 5.395 3.382 -7.918 1.00 0.00 N ATOM 1290 CA ARG A 139 4.761 4.610 -7.456 1.00 0.00 C ATOM 1291 C ARG A 139 3.936 4.357 -6.198 1.00 0.00 C ATOM 1292 O ARG A 139 2.865 3.752 -6.256 1.00 0.00 O ATOM 1293 CB ARG A 139 3.869 5.193 -8.554 1.00 0.00 C ATOM 1294 CG ARG A 139 3.083 6.418 -8.114 1.00 0.00 C ATOM 1295 CD ARG A 139 3.940 7.673 -8.153 1.00 0.00 C ATOM 1296 NE ARG A 139 4.152 8.150 -9.517 1.00 0.00 N ATOM 1297 CZ ARG A 139 4.584 9.371 -9.811 1.00 0.00 C ATOM 1298 NH1 ARG A 139 4.851 10.234 -8.840 1.00 0.00 N ATOM 1299 NH2 ARG A 139 4.753 9.730 -11.077 1.00 0.00 N ATOM 0 H ARG A 139 4.764 2.733 -8.387 1.00 0.00 H new ATOM 0 HA ARG A 139 5.547 5.326 -7.216 1.00 0.00 H new ATOM 0 HB2 ARG A 139 4.488 5.458 -9.411 1.00 0.00 H new ATOM 0 HB3 ARG A 139 3.172 4.425 -8.890 1.00 0.00 H new ATOM 0 HG2 ARG A 139 2.216 6.548 -8.762 1.00 0.00 H new ATOM 0 HG3 ARG A 139 2.705 6.265 -7.103 1.00 0.00 H new ATOM 0 HD2 ARG A 139 3.462 8.457 -7.565 1.00 0.00 H new ATOM 0 HD3 ARG A 139 4.904 7.468 -7.687 1.00 0.00 H new ATOM 0 HE ARG A 139 3.957 7.510 -10.287 1.00 0.00 H new ATOM 0 HH11 ARG A 139 4.725 9.960 -7.866 1.00 0.00 H new ATOM 0 HH12 ARG A 139 5.183 11.171 -9.068 1.00 0.00 H new ATOM 0 HH21 ARG A 139 4.551 9.068 -11.826 1.00 0.00 H new ATOM 0 HH22 ARG A 139 5.085 10.668 -11.301 1.00 0.00 H new ATOM 1313 N VAL A 140 4.443 4.823 -5.061 1.00 0.00 N ATOM 1314 CA VAL A 140 3.753 4.647 -3.788 1.00 0.00 C ATOM 1315 C VAL A 140 3.193 5.970 -3.279 1.00 0.00 C ATOM 1316 O VAL A 140 3.943 6.890 -2.953 1.00 0.00 O ATOM 1317 CB VAL A 140 4.691 4.055 -2.719 1.00 0.00 C ATOM 1318 CG1 VAL A 140 3.901 3.635 -1.489 1.00 0.00 C ATOM 1319 CG2 VAL A 140 5.472 2.879 -3.288 1.00 0.00 C ATOM 0 H VAL A 140 5.328 5.325 -4.995 1.00 0.00 H new ATOM 0 HA VAL A 140 2.932 3.953 -3.966 1.00 0.00 H new ATOM 0 HB VAL A 140 5.403 4.824 -2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 140 4.580 3.219 -0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 140 3.391 4.503 -1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 140 3.165 2.882 -1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 140 6.130 2.473 -2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 140 4.777 2.106 -3.617 1.00 0.00 H new ATOM 0 HG23 VAL A 140 6.069 3.215 -4.136 1.00 0.00 H new ATOM 1329 N ARG A 141 1.868 6.059 -3.214 1.00 0.00 N ATOM 1330 CA ARG A 141 1.206 7.270 -2.745 1.00 0.00 C ATOM 1331 C ARG A 141 0.032 6.930 -1.832 1.00 0.00 C ATOM 1332 O ARG A 141 -0.563 5.857 -1.941 1.00 0.00 O ATOM 1333 CB ARG A 141 0.717 8.101 -3.933 1.00 0.00 C ATOM 1334 CG ARG A 141 -0.444 7.468 -4.683 1.00 0.00 C ATOM 1335 CD ARG A 141 -1.272 8.513 -5.413 1.00 0.00 C ATOM 1336 NE ARG A 141 -0.669 8.898 -6.686 1.00 0.00 N ATOM 1337 CZ ARG A 141 -1.329 9.530 -7.651 1.00 0.00 C ATOM 1338 NH1 ARG A 141 -2.606 9.846 -7.488 1.00 0.00 N ATOM 1339 NH2 ARG A 141 -0.711 9.847 -8.781 1.00 0.00 N ATOM 0 H ARG A 141 1.232 5.307 -3.480 1.00 0.00 H new ATOM 0 HA ARG A 141 1.930 7.852 -2.175 1.00 0.00 H new ATOM 0 HB2 ARG A 141 0.415 9.086 -3.577 1.00 0.00 H new ATOM 0 HB3 ARG A 141 1.546 8.253 -4.625 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -0.062 6.740 -5.399 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -1.078 6.924 -3.982 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -2.274 8.122 -5.590 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -1.381 9.395 -4.782 1.00 0.00 H new ATOM 0 HE ARG A 141 0.313 8.669 -6.843 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -3.084 9.604 -6.620 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -3.110 10.331 -8.230 1.00 0.00 H new ATOM 0 HH21 ARG A 141 0.272 9.606 -8.910 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -1.218 10.332 -9.521 1.00 0.00 H new ATOM 1353 N PHE A 142 -0.295 7.849 -0.930 1.00 0.00 N ATOM 1354 CA PHE A 142 -1.396 7.646 0.004 1.00 0.00 C ATOM 1355 C PHE A 142 -2.741 7.772 -0.705 1.00 0.00 C ATOM 1356 O PHE A 142 -3.148 8.865 -1.097 1.00 0.00 O ATOM 1357 CB PHE A 142 -1.314 8.657 1.150 1.00 0.00 C ATOM 1358 CG PHE A 142 -0.295 8.299 2.193 1.00 0.00 C ATOM 1359 CD1 PHE A 142 -0.423 7.136 2.936 1.00 0.00 C ATOM 1360 CD2 PHE A 142 0.792 9.125 2.431 1.00 0.00 C ATOM 1361 CE1 PHE A 142 0.514 6.805 3.897 1.00 0.00 C ATOM 1362 CE2 PHE A 142 1.732 8.799 3.391 1.00 0.00 C ATOM 1363 CZ PHE A 142 1.593 7.637 4.124 1.00 0.00 C ATOM 0 H PHE A 142 0.187 8.742 -0.826 1.00 0.00 H new ATOM 0 HA PHE A 142 -1.313 6.638 0.411 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -1.074 9.639 0.741 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -2.293 8.739 1.623 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -1.264 6.481 2.762 1.00 0.00 H new ATOM 0 HD2 PHE A 142 0.906 10.034 1.860 1.00 0.00 H new ATOM 0 HE1 PHE A 142 0.402 5.896 4.470 1.00 0.00 H new ATOM 0 HE2 PHE A 142 2.574 9.452 3.567 1.00 0.00 H new ATOM 0 HZ PHE A 142 2.327 7.379 4.873 1.00 0.00 H new ATOM 1373 N ALA A 143 -3.427 6.645 -0.866 1.00 0.00 N ATOM 1374 CA ALA A 143 -4.726 6.628 -1.527 1.00 0.00 C ATOM 1375 C ALA A 143 -5.854 6.850 -0.524 1.00 0.00 C ATOM 1376 O ALA A 143 -5.788 6.380 0.612 1.00 0.00 O ATOM 1377 CB ALA A 143 -4.925 5.314 -2.266 1.00 0.00 C ATOM 0 H ALA A 143 -3.104 5.731 -0.547 1.00 0.00 H new ATOM 0 HA ALA A 143 -4.750 7.444 -2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -5.899 5.315 -2.755 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -4.143 5.196 -3.016 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -4.876 4.487 -1.558 1.00 0.00 H new