USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=11 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 141:sc= -1.02 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.997 USER MOD Single : A 89 MET CE :methyl -154:sc= -0.393 (180deg=-0.432) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc=-0.00325 USER MOD Single : A 98 LYS NZ :NH3+ -165:sc= -0.0106 (180deg=-0.144) USER MOD Single : A 105 HIS : no HD1:sc= -2.6! K(o=-2.6!,f=-1.5) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -120:sc= 0.972 (180deg=-0.0265) USER MOD Single : A 117 THR OG1 : rot -120:sc= -0.662 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ -167:sc= 1.01 (180deg=0.745) USER MOD Single : A 130 ASN : amide:sc= -6.6! C(o=-6.6!,f=-7.4!) USER MOD Single : A 131 MET CE :methyl 147:sc= -0.037 (180deg=-1.77) USER MOD Single : A 136 LYS NZ :NH3+ 140:sc= -0.615 (180deg=-2.23!) USER MOD Single : A 137 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 199 N SER A 73 -4.626 3.891 6.743 1.00 0.00 N ATOM 200 CA SER A 73 -3.394 3.262 6.282 1.00 0.00 C ATOM 201 C SER A 73 -3.598 2.599 4.923 1.00 0.00 C ATOM 202 O SER A 73 -3.475 1.382 4.789 1.00 0.00 O ATOM 203 CB SER A 73 -2.914 2.226 7.300 1.00 0.00 C ATOM 204 OG SER A 73 -1.598 1.792 7.005 1.00 0.00 O ATOM 0 HA SER A 73 -2.636 4.038 6.178 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.943 2.655 8.301 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.591 1.371 7.300 1.00 0.00 H new ATOM 0 HG SER A 73 -1.097 1.677 7.839 1.00 0.00 H new ATOM 210 N ARG A 74 -3.909 3.411 3.917 1.00 0.00 N ATOM 211 CA ARG A 74 -4.132 2.904 2.568 1.00 0.00 C ATOM 212 C ARG A 74 -3.020 3.360 1.627 1.00 0.00 C ATOM 213 O ARG A 74 -2.928 4.538 1.281 1.00 0.00 O ATOM 214 CB ARG A 74 -5.487 3.377 2.040 1.00 0.00 C ATOM 215 CG ARG A 74 -6.038 2.514 0.917 1.00 0.00 C ATOM 216 CD ARG A 74 -7.558 2.535 0.892 1.00 0.00 C ATOM 217 NE ARG A 74 -8.077 3.637 0.085 1.00 0.00 N ATOM 218 CZ ARG A 74 -8.139 3.610 -1.242 1.00 0.00 C ATOM 219 NH1 ARG A 74 -7.717 2.544 -1.907 1.00 0.00 N ATOM 220 NH2 ARG A 74 -8.624 4.651 -1.906 1.00 0.00 N ATOM 0 H ARG A 74 -4.012 4.421 4.011 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.127 1.815 2.610 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.203 3.390 2.862 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.391 4.403 1.685 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.653 2.869 -0.039 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.689 1.489 1.040 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.927 1.590 0.495 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.936 2.622 1.911 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.410 4.472 0.566 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.343 1.742 -1.400 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.766 2.526 -2.926 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.950 5.473 -1.398 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.671 4.629 -2.925 1.00 0.00 H new ATOM 234 N LEU A 75 -2.178 2.418 1.216 1.00 0.00 N ATOM 235 CA LEU A 75 -1.072 2.722 0.314 1.00 0.00 C ATOM 236 C LEU A 75 -1.392 2.279 -1.110 1.00 0.00 C ATOM 237 O LEU A 75 -1.749 1.125 -1.347 1.00 0.00 O ATOM 238 CB LEU A 75 0.208 2.037 0.798 1.00 0.00 C ATOM 239 CG LEU A 75 0.679 2.410 2.204 1.00 0.00 C ATOM 240 CD1 LEU A 75 1.848 1.533 2.626 1.00 0.00 C ATOM 241 CD2 LEU A 75 1.064 3.881 2.265 1.00 0.00 C ATOM 0 H LEU A 75 -2.240 1.438 1.493 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.922 3.802 0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.055 0.958 0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.008 2.269 0.095 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.144 2.241 2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.169 1.813 3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.539 0.488 2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.675 1.669 1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.397 4.129 3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.871 4.075 1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.200 4.494 2.007 1.00 0.00 H new ATOM 253 N PHE A 76 -1.260 3.204 -2.055 1.00 0.00 N ATOM 254 CA PHE A 76 -1.535 2.909 -3.456 1.00 0.00 C ATOM 255 C PHE A 76 -0.238 2.676 -4.227 1.00 0.00 C ATOM 256 O PHE A 76 0.624 3.552 -4.292 1.00 0.00 O ATOM 257 CB PHE A 76 -2.323 4.054 -4.096 1.00 0.00 C ATOM 258 CG PHE A 76 -2.418 3.954 -5.591 1.00 0.00 C ATOM 259 CD1 PHE A 76 -1.367 4.368 -6.394 1.00 0.00 C ATOM 260 CD2 PHE A 76 -3.557 3.447 -6.195 1.00 0.00 C ATOM 261 CE1 PHE A 76 -1.452 4.279 -7.771 1.00 0.00 C ATOM 262 CE2 PHE A 76 -3.648 3.354 -7.571 1.00 0.00 C ATOM 263 CZ PHE A 76 -2.593 3.770 -8.360 1.00 0.00 C ATOM 0 H PHE A 76 -0.964 4.164 -1.876 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.132 1.998 -3.499 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.329 4.071 -3.676 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.851 5.001 -3.832 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.471 4.765 -5.939 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.385 3.120 -5.583 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.627 4.607 -8.386 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.542 2.957 -8.029 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.660 3.697 -9.435 1.00 0.00 H new ATOM 273 N VAL A 77 -0.108 1.489 -4.810 1.00 0.00 N ATOM 274 CA VAL A 77 1.082 1.140 -5.577 1.00 0.00 C ATOM 275 C VAL A 77 0.801 1.180 -7.075 1.00 0.00 C ATOM 276 O VAL A 77 -0.048 0.445 -7.578 1.00 0.00 O ATOM 277 CB VAL A 77 1.602 -0.260 -5.200 1.00 0.00 C ATOM 278 CG1 VAL A 77 2.944 -0.527 -5.864 1.00 0.00 C ATOM 279 CG2 VAL A 77 1.708 -0.400 -3.689 1.00 0.00 C ATOM 0 H VAL A 77 -0.812 0.752 -4.766 1.00 0.00 H new ATOM 0 HA VAL A 77 1.844 1.880 -5.333 1.00 0.00 H new ATOM 0 HB VAL A 77 0.891 -1.003 -5.561 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.296 -1.521 -5.586 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.832 -0.471 -6.947 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.667 0.219 -5.535 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.077 -1.395 -3.441 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.398 0.350 -3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.725 -0.255 -3.240 1.00 0.00 H new ATOM 289 N GLY A 78 1.522 2.043 -7.784 1.00 0.00 N ATOM 290 CA GLY A 78 1.336 2.163 -9.218 1.00 0.00 C ATOM 291 C GLY A 78 2.558 1.721 -10.000 1.00 0.00 C ATOM 292 O GLY A 78 3.616 1.473 -9.423 1.00 0.00 O ATOM 0 H GLY A 78 2.232 2.661 -7.391 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.478 1.563 -9.521 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.105 3.199 -9.466 1.00 0.00 H new ATOM 296 N ASN A 79 2.412 1.622 -11.317 1.00 0.00 N ATOM 297 CA ASN A 79 3.512 1.205 -12.179 1.00 0.00 C ATOM 298 C ASN A 79 4.044 -0.162 -11.759 1.00 0.00 C ATOM 299 O ASN A 79 5.255 -0.361 -11.645 1.00 0.00 O ATOM 300 CB ASN A 79 4.639 2.239 -12.139 1.00 0.00 C ATOM 301 CG ASN A 79 4.480 3.310 -13.200 1.00 0.00 C ATOM 302 OD1 ASN A 79 3.637 4.199 -13.078 1.00 0.00 O ATOM 303 ND2 ASN A 79 5.291 3.229 -14.248 1.00 0.00 N ATOM 0 H ASN A 79 1.543 1.825 -11.811 1.00 0.00 H new ATOM 0 HA ASN A 79 3.134 1.130 -13.199 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.664 2.707 -11.155 1.00 0.00 H new ATOM 0 HB3 ASN A 79 5.596 1.735 -12.276 1.00 0.00 H new ATOM 0 HD21 ASN A 79 5.230 3.921 -14.995 1.00 0.00 H new ATOM 0 HD22 ASN A 79 5.975 2.474 -14.307 1.00 0.00 H new ATOM 310 N LEU A 80 3.133 -1.100 -11.529 1.00 0.00 N ATOM 311 CA LEU A 80 3.510 -2.450 -11.122 1.00 0.00 C ATOM 312 C LEU A 80 3.984 -3.267 -12.319 1.00 0.00 C ATOM 313 O LEU A 80 3.450 -3.163 -13.424 1.00 0.00 O ATOM 314 CB LEU A 80 2.328 -3.149 -10.448 1.00 0.00 C ATOM 315 CG LEU A 80 2.069 -2.772 -8.989 1.00 0.00 C ATOM 316 CD1 LEU A 80 0.734 -3.333 -8.522 1.00 0.00 C ATOM 317 CD2 LEU A 80 3.199 -3.270 -8.100 1.00 0.00 C ATOM 0 H LEU A 80 2.128 -0.952 -11.617 1.00 0.00 H new ATOM 0 HA LEU A 80 4.332 -2.373 -10.410 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.428 -2.933 -11.023 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.490 -4.226 -10.501 1.00 0.00 H new ATOM 0 HG LEU A 80 2.029 -1.685 -8.916 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.566 -3.055 -7.481 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.067 -2.927 -9.140 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.745 -4.419 -8.610 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.997 -2.992 -7.065 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.272 -4.355 -8.177 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.139 -2.820 -8.420 1.00 0.00 H new ATOM 329 N PRO A 81 5.009 -4.103 -12.097 1.00 0.00 N ATOM 330 CA PRO A 81 5.576 -4.957 -13.145 1.00 0.00 C ATOM 331 C PRO A 81 4.626 -6.076 -13.557 1.00 0.00 C ATOM 332 O PRO A 81 3.790 -6.533 -12.777 1.00 0.00 O ATOM 333 CB PRO A 81 6.832 -5.537 -12.489 1.00 0.00 C ATOM 334 CG PRO A 81 6.550 -5.495 -11.027 1.00 0.00 C ATOM 335 CD PRO A 81 5.694 -4.279 -10.805 1.00 0.00 C ATOM 0 HA PRO A 81 5.775 -4.401 -14.061 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.020 -6.556 -12.827 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.716 -4.950 -12.739 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.035 -6.399 -10.703 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.474 -5.432 -10.453 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.985 -4.430 -9.991 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.294 -3.407 -10.546 1.00 0.00 H new ATOM 343 N PRO A 82 4.754 -6.530 -14.813 1.00 0.00 N ATOM 344 CA PRO A 82 3.916 -7.603 -15.356 1.00 0.00 C ATOM 345 C PRO A 82 4.228 -8.957 -14.730 1.00 0.00 C ATOM 346 O PRO A 82 3.652 -9.976 -15.112 1.00 0.00 O ATOM 347 CB PRO A 82 4.269 -7.608 -16.846 1.00 0.00 C ATOM 348 CG PRO A 82 5.644 -7.039 -16.912 1.00 0.00 C ATOM 349 CD PRO A 82 5.729 -6.032 -15.798 1.00 0.00 C ATOM 0 HA PRO A 82 2.858 -7.435 -15.154 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.238 -8.617 -17.257 1.00 0.00 H new ATOM 0 HB3 PRO A 82 3.564 -7.008 -17.422 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.395 -7.819 -16.791 1.00 0.00 H new ATOM 0 HG3 PRO A 82 5.826 -6.568 -17.878 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.734 -5.981 -15.378 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.476 -5.029 -16.142 1.00 0.00 H new ATOM 357 N ASP A 83 5.144 -8.962 -13.768 1.00 0.00 N ATOM 358 CA ASP A 83 5.532 -10.192 -13.087 1.00 0.00 C ATOM 359 C ASP A 83 5.217 -10.111 -11.597 1.00 0.00 C ATOM 360 O ASP A 83 5.740 -10.890 -10.799 1.00 0.00 O ATOM 361 CB ASP A 83 7.023 -10.464 -13.292 1.00 0.00 C ATOM 362 CG ASP A 83 7.889 -9.728 -12.289 1.00 0.00 C ATOM 363 OD1 ASP A 83 7.477 -8.640 -11.835 1.00 0.00 O ATOM 364 OD2 ASP A 83 8.980 -10.238 -11.959 1.00 0.00 O ATOM 0 H ASP A 83 5.632 -8.128 -13.442 1.00 0.00 H new ATOM 0 HA ASP A 83 4.958 -11.013 -13.517 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.208 -11.535 -13.211 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.308 -10.167 -14.301 1.00 0.00 H new ATOM 369 N ILE A 84 4.361 -9.163 -11.229 1.00 0.00 N ATOM 370 CA ILE A 84 3.977 -8.981 -9.834 1.00 0.00 C ATOM 371 C ILE A 84 2.857 -9.939 -9.443 1.00 0.00 C ATOM 372 O ILE A 84 1.885 -10.111 -10.179 1.00 0.00 O ATOM 373 CB ILE A 84 3.521 -7.536 -9.560 1.00 0.00 C ATOM 374 CG1 ILE A 84 3.067 -7.388 -8.106 1.00 0.00 C ATOM 375 CG2 ILE A 84 2.400 -7.145 -10.513 1.00 0.00 C ATOM 376 CD1 ILE A 84 4.209 -7.390 -7.114 1.00 0.00 C ATOM 0 H ILE A 84 3.921 -8.510 -11.877 1.00 0.00 H new ATOM 0 HA ILE A 84 4.861 -9.194 -9.233 1.00 0.00 H new ATOM 0 HB ILE A 84 4.365 -6.866 -9.727 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.507 -6.459 -8.001 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.383 -8.201 -7.863 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.088 -6.121 -10.307 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.755 -7.217 -11.541 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.553 -7.817 -10.374 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.814 -7.282 -6.104 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.756 -8.330 -7.191 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.881 -6.560 -7.332 1.00 0.00 H new ATOM 388 N THR A 85 2.998 -10.561 -8.276 1.00 0.00 N ATOM 389 CA THR A 85 1.999 -11.502 -7.786 1.00 0.00 C ATOM 390 C THR A 85 1.664 -11.234 -6.323 1.00 0.00 C ATOM 391 O THR A 85 2.468 -10.662 -5.588 1.00 0.00 O ATOM 392 CB THR A 85 2.478 -12.958 -7.933 1.00 0.00 C ATOM 393 OG1 THR A 85 3.819 -13.085 -7.446 1.00 0.00 O ATOM 394 CG2 THR A 85 2.417 -13.404 -9.386 1.00 0.00 C ATOM 0 H THR A 85 3.795 -10.430 -7.653 1.00 0.00 H new ATOM 0 HA THR A 85 1.105 -11.359 -8.393 1.00 0.00 H new ATOM 0 HB THR A 85 1.817 -13.595 -7.346 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.115 -14.014 -7.542 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.760 -14.436 -9.465 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.390 -13.335 -9.745 1.00 0.00 H new ATOM 0 HG23 THR A 85 3.057 -12.762 -9.991 1.00 0.00 H new ATOM 402 N GLU A 86 0.472 -11.653 -5.907 1.00 0.00 N ATOM 403 CA GLU A 86 0.032 -11.457 -4.531 1.00 0.00 C ATOM 404 C GLU A 86 1.146 -11.809 -3.549 1.00 0.00 C ATOM 405 O GLU A 86 1.352 -11.114 -2.554 1.00 0.00 O ATOM 406 CB GLU A 86 -1.206 -12.309 -4.242 1.00 0.00 C ATOM 407 CG GLU A 86 -2.114 -11.721 -3.176 1.00 0.00 C ATOM 408 CD GLU A 86 -3.533 -12.247 -3.263 1.00 0.00 C ATOM 409 OE1 GLU A 86 -4.239 -11.891 -4.231 1.00 0.00 O ATOM 410 OE2 GLU A 86 -3.939 -13.014 -2.365 1.00 0.00 O ATOM 0 H GLU A 86 -0.205 -12.130 -6.503 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.222 -10.405 -4.404 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.775 -12.433 -5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.887 -13.303 -3.928 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.706 -11.948 -2.191 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.126 -10.635 -3.273 1.00 0.00 H new ATOM 417 N GLU A 87 1.859 -12.893 -3.835 1.00 0.00 N ATOM 418 CA GLU A 87 2.951 -13.338 -2.976 1.00 0.00 C ATOM 419 C GLU A 87 4.071 -12.303 -2.940 1.00 0.00 C ATOM 420 O GLU A 87 4.482 -11.856 -1.870 1.00 0.00 O ATOM 421 CB GLU A 87 3.498 -14.681 -3.464 1.00 0.00 C ATOM 422 CG GLU A 87 3.890 -14.682 -4.932 1.00 0.00 C ATOM 423 CD GLU A 87 3.755 -16.050 -5.571 1.00 0.00 C ATOM 424 OE1 GLU A 87 4.142 -17.048 -4.927 1.00 0.00 O ATOM 425 OE2 GLU A 87 3.260 -16.123 -6.716 1.00 0.00 O ATOM 0 H GLU A 87 1.701 -13.480 -4.654 1.00 0.00 H new ATOM 0 HA GLU A 87 2.559 -13.459 -1.966 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.368 -14.949 -2.864 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.746 -15.452 -3.297 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.265 -13.970 -5.471 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.920 -14.340 -5.029 1.00 0.00 H new ATOM 432 N GLU A 88 4.560 -11.927 -4.118 1.00 0.00 N ATOM 433 CA GLU A 88 5.634 -10.946 -4.221 1.00 0.00 C ATOM 434 C GLU A 88 5.346 -9.731 -3.344 1.00 0.00 C ATOM 435 O GLU A 88 6.214 -9.263 -2.608 1.00 0.00 O ATOM 436 CB GLU A 88 5.817 -10.507 -5.675 1.00 0.00 C ATOM 437 CG GLU A 88 6.719 -11.428 -6.480 1.00 0.00 C ATOM 438 CD GLU A 88 8.054 -11.673 -5.803 1.00 0.00 C ATOM 439 OE1 GLU A 88 8.736 -10.683 -5.463 1.00 0.00 O ATOM 440 OE2 GLU A 88 8.417 -12.853 -5.615 1.00 0.00 O ATOM 0 H GLU A 88 4.230 -12.287 -5.013 1.00 0.00 H new ATOM 0 HA GLU A 88 6.554 -11.415 -3.873 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.840 -10.457 -6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.233 -9.499 -5.692 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.214 -12.381 -6.635 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.889 -10.994 -7.465 1.00 0.00 H new ATOM 447 N MET A 89 4.120 -9.224 -3.429 1.00 0.00 N ATOM 448 CA MET A 89 3.717 -8.063 -2.644 1.00 0.00 C ATOM 449 C MET A 89 3.851 -8.345 -1.150 1.00 0.00 C ATOM 450 O MET A 89 4.417 -7.544 -0.407 1.00 0.00 O ATOM 451 CB MET A 89 2.275 -7.673 -2.974 1.00 0.00 C ATOM 452 CG MET A 89 1.891 -6.289 -2.476 1.00 0.00 C ATOM 453 SD MET A 89 0.566 -5.545 -3.446 1.00 0.00 S ATOM 454 CE MET A 89 1.247 -3.917 -3.756 1.00 0.00 C ATOM 0 H MET A 89 3.389 -9.599 -4.033 1.00 0.00 H new ATOM 0 HA MET A 89 4.377 -7.234 -2.901 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.134 -7.714 -4.054 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.599 -8.408 -2.537 1.00 0.00 H new ATOM 0 HG2 MET A 89 1.580 -6.356 -1.434 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.766 -5.640 -2.506 1.00 0.00 H new ATOM 0 HE1 MET A 89 0.435 -3.207 -3.916 1.00 0.00 H new ATOM 0 HE2 MET A 89 1.841 -3.602 -2.898 1.00 0.00 H new ATOM 0 HE3 MET A 89 1.880 -3.950 -4.643 1.00 0.00 H new ATOM 464 N ARG A 90 3.326 -9.487 -0.719 1.00 0.00 N ATOM 465 CA ARG A 90 3.386 -9.873 0.686 1.00 0.00 C ATOM 466 C ARG A 90 4.826 -9.868 1.190 1.00 0.00 C ATOM 467 O ARG A 90 5.102 -9.437 2.310 1.00 0.00 O ATOM 468 CB ARG A 90 2.769 -11.259 0.883 1.00 0.00 C ATOM 469 CG ARG A 90 1.280 -11.225 1.187 1.00 0.00 C ATOM 470 CD ARG A 90 0.727 -12.623 1.417 1.00 0.00 C ATOM 471 NE ARG A 90 0.754 -13.430 0.200 1.00 0.00 N ATOM 472 CZ ARG A 90 0.305 -14.678 0.136 1.00 0.00 C ATOM 473 NH1 ARG A 90 -0.204 -15.259 1.214 1.00 0.00 N ATOM 474 NH2 ARG A 90 0.364 -15.348 -1.008 1.00 0.00 N ATOM 0 H ARG A 90 2.854 -10.161 -1.322 1.00 0.00 H new ATOM 0 HA ARG A 90 2.816 -9.144 1.262 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.934 -11.852 -0.016 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.286 -11.765 1.698 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.102 -10.612 2.070 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.749 -10.754 0.360 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.308 -13.119 2.194 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.298 -12.552 1.782 1.00 0.00 H new ATOM 0 HE ARG A 90 1.139 -13.012 -0.647 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.251 -14.747 2.095 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.548 -16.218 1.162 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.755 -14.904 -1.839 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.019 -16.307 -1.056 1.00 0.00 H new ATOM 488 N LYS A 91 5.741 -10.352 0.356 1.00 0.00 N ATOM 489 CA LYS A 91 7.153 -10.404 0.715 1.00 0.00 C ATOM 490 C LYS A 91 7.765 -9.007 0.719 1.00 0.00 C ATOM 491 O LYS A 91 8.656 -8.710 1.516 1.00 0.00 O ATOM 492 CB LYS A 91 7.915 -11.304 -0.259 1.00 0.00 C ATOM 493 CG LYS A 91 9.234 -11.817 0.292 1.00 0.00 C ATOM 494 CD LYS A 91 10.221 -12.127 -0.822 1.00 0.00 C ATOM 495 CE LYS A 91 11.318 -13.068 -0.348 1.00 0.00 C ATOM 496 NZ LYS A 91 12.148 -13.567 -1.480 1.00 0.00 N ATOM 0 H LYS A 91 5.529 -10.714 -0.574 1.00 0.00 H new ATOM 0 HA LYS A 91 7.232 -10.819 1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.286 -12.154 -0.523 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.106 -10.751 -1.179 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.663 -11.073 0.963 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.058 -12.715 0.883 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.693 -12.576 -1.663 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.666 -11.200 -1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.955 -12.551 0.369 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.871 -13.913 0.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.884 -14.205 -1.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.545 -14.082 -2.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.596 -12.762 -1.963 1.00 0.00 H new ATOM 510 N LEU A 92 7.282 -8.152 -0.176 1.00 0.00 N ATOM 511 CA LEU A 92 7.781 -6.785 -0.275 1.00 0.00 C ATOM 512 C LEU A 92 7.513 -6.012 1.012 1.00 0.00 C ATOM 513 O LEU A 92 8.401 -5.346 1.546 1.00 0.00 O ATOM 514 CB LEU A 92 7.129 -6.068 -1.459 1.00 0.00 C ATOM 515 CG LEU A 92 7.667 -6.430 -2.843 1.00 0.00 C ATOM 516 CD1 LEU A 92 6.723 -5.938 -3.929 1.00 0.00 C ATOM 517 CD2 LEU A 92 9.060 -5.850 -3.042 1.00 0.00 C ATOM 0 H LEU A 92 6.545 -8.381 -0.843 1.00 0.00 H new ATOM 0 HA LEU A 92 8.859 -6.829 -0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.060 -6.278 -1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.245 -4.994 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 92 7.733 -7.516 -2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.123 -6.205 -4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.745 -6.401 -3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.623 -4.855 -3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.427 -6.118 -4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.019 -4.765 -2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.733 -6.252 -2.285 1.00 0.00 H new ATOM 529 N PHE A 93 6.284 -6.108 1.509 1.00 0.00 N ATOM 530 CA PHE A 93 5.899 -5.419 2.735 1.00 0.00 C ATOM 531 C PHE A 93 6.060 -6.334 3.946 1.00 0.00 C ATOM 532 O PHE A 93 5.384 -6.163 4.959 1.00 0.00 O ATOM 533 CB PHE A 93 4.451 -4.932 2.639 1.00 0.00 C ATOM 534 CG PHE A 93 4.247 -3.860 1.608 1.00 0.00 C ATOM 535 CD1 PHE A 93 4.421 -4.133 0.261 1.00 0.00 C ATOM 536 CD2 PHE A 93 3.880 -2.578 1.986 1.00 0.00 C ATOM 537 CE1 PHE A 93 4.234 -3.147 -0.690 1.00 0.00 C ATOM 538 CE2 PHE A 93 3.691 -1.588 1.039 1.00 0.00 C ATOM 539 CZ PHE A 93 3.868 -1.874 -0.300 1.00 0.00 C ATOM 0 H PHE A 93 5.538 -6.656 1.081 1.00 0.00 H new ATOM 0 HA PHE A 93 6.557 -4.559 2.861 1.00 0.00 H new ATOM 0 HB2 PHE A 93 3.806 -5.779 2.404 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.138 -4.554 3.612 1.00 0.00 H new ATOM 0 HD1 PHE A 93 4.706 -5.127 -0.050 1.00 0.00 H new ATOM 0 HD2 PHE A 93 3.740 -2.350 3.032 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.374 -3.372 -1.737 1.00 0.00 H new ATOM 0 HE2 PHE A 93 3.405 -0.593 1.346 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.720 -1.103 -1.042 1.00 0.00 H new ATOM 549 N GLU A 94 6.962 -7.304 3.831 1.00 0.00 N ATOM 550 CA GLU A 94 7.211 -8.246 4.916 1.00 0.00 C ATOM 551 C GLU A 94 7.909 -7.558 6.085 1.00 0.00 C ATOM 552 O GLU A 94 7.547 -7.758 7.245 1.00 0.00 O ATOM 553 CB GLU A 94 8.061 -9.417 4.418 1.00 0.00 C ATOM 554 CG GLU A 94 9.544 -9.098 4.329 1.00 0.00 C ATOM 555 CD GLU A 94 10.360 -10.259 3.793 1.00 0.00 C ATOM 556 OE1 GLU A 94 9.762 -11.308 3.477 1.00 0.00 O ATOM 557 OE2 GLU A 94 11.596 -10.117 3.691 1.00 0.00 O ATOM 0 H GLU A 94 7.531 -7.458 2.999 1.00 0.00 H new ATOM 0 HA GLU A 94 6.249 -8.625 5.262 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.920 -10.267 5.086 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.704 -9.722 3.434 1.00 0.00 H new ATOM 0 HG2 GLU A 94 9.687 -8.230 3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.913 -8.825 5.318 1.00 0.00 H new ATOM 564 N LYS A 95 8.912 -6.744 5.772 1.00 0.00 N ATOM 565 CA LYS A 95 9.661 -6.024 6.794 1.00 0.00 C ATOM 566 C LYS A 95 8.720 -5.285 7.740 1.00 0.00 C ATOM 567 O LYS A 95 9.058 -5.032 8.896 1.00 0.00 O ATOM 568 CB LYS A 95 10.629 -5.034 6.144 1.00 0.00 C ATOM 569 CG LYS A 95 11.822 -4.686 7.017 1.00 0.00 C ATOM 570 CD LYS A 95 12.324 -3.278 6.741 1.00 0.00 C ATOM 571 CE LYS A 95 13.074 -3.203 5.420 1.00 0.00 C ATOM 572 NZ LYS A 95 13.744 -1.886 5.237 1.00 0.00 N ATOM 0 H LYS A 95 9.225 -6.567 4.817 1.00 0.00 H new ATOM 0 HA LYS A 95 10.230 -6.752 7.372 1.00 0.00 H new ATOM 0 HB2 LYS A 95 10.988 -5.454 5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 95 10.090 -4.119 5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 95 11.544 -4.775 8.067 1.00 0.00 H new ATOM 0 HG3 LYS A 95 12.625 -5.401 6.839 1.00 0.00 H new ATOM 0 HD2 LYS A 95 11.481 -2.587 6.722 1.00 0.00 H new ATOM 0 HD3 LYS A 95 12.979 -2.959 7.551 1.00 0.00 H new ATOM 0 HE2 LYS A 95 13.819 -3.998 5.379 1.00 0.00 H new ATOM 0 HE3 LYS A 95 12.379 -3.375 4.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 14.244 -1.875 4.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 13.031 -1.129 5.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 14.426 -1.733 6.008 1.00 0.00 H new ATOM 586 N TYR A 96 7.537 -4.942 7.241 1.00 0.00 N ATOM 587 CA TYR A 96 6.547 -4.231 8.041 1.00 0.00 C ATOM 588 C TYR A 96 5.418 -5.165 8.467 1.00 0.00 C ATOM 589 O TYR A 96 4.281 -4.736 8.658 1.00 0.00 O ATOM 590 CB TYR A 96 5.978 -3.050 7.254 1.00 0.00 C ATOM 591 CG TYR A 96 6.972 -2.419 6.306 1.00 0.00 C ATOM 592 CD1 TYR A 96 7.909 -1.499 6.761 1.00 0.00 C ATOM 593 CD2 TYR A 96 6.975 -2.743 4.954 1.00 0.00 C ATOM 594 CE1 TYR A 96 8.818 -0.919 5.897 1.00 0.00 C ATOM 595 CE2 TYR A 96 7.882 -2.169 4.084 1.00 0.00 C ATOM 596 CZ TYR A 96 8.801 -1.258 4.560 1.00 0.00 C ATOM 597 OH TYR A 96 9.706 -0.684 3.698 1.00 0.00 O ATOM 0 H TYR A 96 7.241 -5.145 6.286 1.00 0.00 H new ATOM 0 HA TYR A 96 7.042 -3.857 8.937 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.111 -3.387 6.686 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.626 -2.293 7.955 1.00 0.00 H new ATOM 0 HD1 TYR A 96 7.927 -1.233 7.808 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.256 -3.456 4.577 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.538 -0.204 6.267 1.00 0.00 H new ATOM 0 HE2 TYR A 96 7.871 -2.433 3.037 1.00 0.00 H new ATOM 0 HH TYR A 96 9.561 -1.031 2.793 1.00 0.00 H new ATOM 607 N GLY A 97 5.742 -6.446 8.613 1.00 0.00 N ATOM 608 CA GLY A 97 4.746 -7.422 9.016 1.00 0.00 C ATOM 609 C GLY A 97 3.820 -7.808 7.879 1.00 0.00 C ATOM 610 O GLY A 97 3.892 -7.240 6.789 1.00 0.00 O ATOM 0 H GLY A 97 6.676 -6.825 8.459 1.00 0.00 H new ATOM 0 HA2 GLY A 97 5.247 -8.314 9.391 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.157 -7.017 9.839 1.00 0.00 H new ATOM 614 N LYS A 98 2.949 -8.778 8.131 1.00 0.00 N ATOM 615 CA LYS A 98 2.005 -9.242 7.121 1.00 0.00 C ATOM 616 C LYS A 98 0.911 -8.206 6.883 1.00 0.00 C ATOM 617 O LYS A 98 0.153 -7.869 7.793 1.00 0.00 O ATOM 618 CB LYS A 98 1.379 -10.571 7.550 1.00 0.00 C ATOM 619 CG LYS A 98 2.395 -11.677 7.774 1.00 0.00 C ATOM 620 CD LYS A 98 1.734 -12.944 8.291 1.00 0.00 C ATOM 621 CE LYS A 98 1.571 -12.911 9.803 1.00 0.00 C ATOM 622 NZ LYS A 98 2.873 -13.090 10.505 1.00 0.00 N ATOM 0 H LYS A 98 2.877 -9.259 9.027 1.00 0.00 H new ATOM 0 HA LYS A 98 2.551 -9.389 6.189 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.814 -10.417 8.469 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.668 -10.891 6.788 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.913 -11.891 6.839 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.148 -11.342 8.487 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.758 -13.064 7.821 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.333 -13.810 8.007 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.126 -11.961 10.100 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.881 -13.697 10.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.700 -13.315 11.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.402 -13.868 10.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.427 -12.212 10.439 1.00 0.00 H new ATOM 636 N ALA A 99 0.833 -7.705 5.655 1.00 0.00 N ATOM 637 CA ALA A 99 -0.171 -6.710 5.297 1.00 0.00 C ATOM 638 C ALA A 99 -1.579 -7.234 5.556 1.00 0.00 C ATOM 639 O ALA A 99 -1.807 -8.443 5.583 1.00 0.00 O ATOM 640 CB ALA A 99 -0.016 -6.305 3.838 1.00 0.00 C ATOM 0 H ALA A 99 1.453 -7.972 4.891 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.017 -5.832 5.924 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.772 -5.562 3.584 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.976 -5.882 3.681 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.141 -7.181 3.202 1.00 0.00 H new ATOM 646 N GLY A 100 -2.522 -6.316 5.746 1.00 0.00 N ATOM 647 CA GLY A 100 -3.896 -6.705 6.001 1.00 0.00 C ATOM 648 C GLY A 100 -4.654 -7.025 4.728 1.00 0.00 C ATOM 649 O GLY A 100 -5.290 -8.073 4.624 1.00 0.00 O ATOM 0 H GLY A 100 -2.358 -5.309 5.728 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.908 -7.576 6.656 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.406 -5.900 6.531 1.00 0.00 H new ATOM 653 N GLU A 101 -4.587 -6.118 3.758 1.00 0.00 N ATOM 654 CA GLU A 101 -5.275 -6.309 2.486 1.00 0.00 C ATOM 655 C GLU A 101 -4.315 -6.127 1.315 1.00 0.00 C ATOM 656 O GLU A 101 -3.601 -5.127 1.233 1.00 0.00 O ATOM 657 CB GLU A 101 -6.443 -5.328 2.361 1.00 0.00 C ATOM 658 CG GLU A 101 -7.466 -5.731 1.312 1.00 0.00 C ATOM 659 CD GLU A 101 -8.719 -4.878 1.361 1.00 0.00 C ATOM 660 OE1 GLU A 101 -8.595 -3.639 1.264 1.00 0.00 O ATOM 661 OE2 GLU A 101 -9.821 -5.448 1.497 1.00 0.00 O ATOM 0 H GLU A 101 -4.064 -5.245 3.828 1.00 0.00 H new ATOM 0 HA GLU A 101 -5.661 -7.328 2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -6.940 -5.243 3.327 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -6.053 -4.340 2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -7.016 -5.653 0.322 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -7.737 -6.777 1.457 1.00 0.00 H new ATOM 668 N VAL A 102 -4.302 -7.100 0.410 1.00 0.00 N ATOM 669 CA VAL A 102 -3.430 -7.048 -0.757 1.00 0.00 C ATOM 670 C VAL A 102 -4.209 -7.328 -2.038 1.00 0.00 C ATOM 671 O VAL A 102 -4.803 -8.395 -2.195 1.00 0.00 O ATOM 672 CB VAL A 102 -2.275 -8.060 -0.641 1.00 0.00 C ATOM 673 CG1 VAL A 102 -1.432 -8.056 -1.907 1.00 0.00 C ATOM 674 CG2 VAL A 102 -1.420 -7.753 0.580 1.00 0.00 C ATOM 0 H VAL A 102 -4.886 -7.935 0.463 1.00 0.00 H new ATOM 0 HA VAL A 102 -3.017 -6.040 -0.798 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.699 -9.057 -0.519 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.621 -8.777 -1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -2.055 -8.327 -2.760 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -1.015 -7.061 -2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.608 -8.477 0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.004 -6.749 0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.034 -7.812 1.478 1.00 0.00 H new ATOM 684 N PHE A 103 -4.202 -6.363 -2.951 1.00 0.00 N ATOM 685 CA PHE A 103 -4.908 -6.504 -4.219 1.00 0.00 C ATOM 686 C PHE A 103 -4.037 -6.039 -5.382 1.00 0.00 C ATOM 687 O PHE A 103 -3.440 -4.963 -5.332 1.00 0.00 O ATOM 688 CB PHE A 103 -6.213 -5.705 -4.192 1.00 0.00 C ATOM 689 CG PHE A 103 -7.315 -6.382 -3.428 1.00 0.00 C ATOM 690 CD1 PHE A 103 -7.712 -7.669 -3.753 1.00 0.00 C ATOM 691 CD2 PHE A 103 -7.954 -5.731 -2.386 1.00 0.00 C ATOM 692 CE1 PHE A 103 -8.725 -8.295 -3.052 1.00 0.00 C ATOM 693 CE2 PHE A 103 -8.967 -6.352 -1.680 1.00 0.00 C ATOM 694 CZ PHE A 103 -9.354 -7.635 -2.015 1.00 0.00 C ATOM 0 H PHE A 103 -3.715 -5.474 -2.836 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.139 -7.560 -4.362 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.022 -4.728 -3.749 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.545 -5.532 -5.216 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.224 -8.189 -4.564 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.657 -4.727 -2.122 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.024 -9.299 -3.315 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -9.455 -5.835 -0.867 1.00 0.00 H new ATOM 0 HZ PHE A 103 -10.147 -8.121 -1.467 1.00 0.00 H new ATOM 704 N ILE A 104 -3.969 -6.856 -6.427 1.00 0.00 N ATOM 705 CA ILE A 104 -3.171 -6.529 -7.602 1.00 0.00 C ATOM 706 C ILE A 104 -3.974 -6.726 -8.884 1.00 0.00 C ATOM 707 O ILE A 104 -4.295 -7.853 -9.261 1.00 0.00 O ATOM 708 CB ILE A 104 -1.894 -7.386 -7.673 1.00 0.00 C ATOM 709 CG1 ILE A 104 -0.970 -7.062 -6.497 1.00 0.00 C ATOM 710 CG2 ILE A 104 -1.177 -7.160 -8.995 1.00 0.00 C ATOM 711 CD1 ILE A 104 0.047 -8.145 -6.212 1.00 0.00 C ATOM 0 H ILE A 104 -4.457 -7.750 -6.484 1.00 0.00 H new ATOM 0 HA ILE A 104 -2.889 -5.480 -7.509 1.00 0.00 H new ATOM 0 HB ILE A 104 -2.176 -8.437 -7.610 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -0.447 -6.128 -6.703 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -1.574 -6.898 -5.605 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -0.276 -7.773 -9.030 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -1.836 -7.436 -9.818 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -0.904 -6.109 -9.086 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.668 -7.848 -5.367 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -0.469 -9.075 -5.974 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.676 -8.293 -7.090 1.00 0.00 H new ATOM 723 N HIS A 105 -4.296 -5.621 -9.550 1.00 0.00 N ATOM 724 CA HIS A 105 -5.059 -5.672 -10.791 1.00 0.00 C ATOM 725 C HIS A 105 -4.144 -5.504 -12.000 1.00 0.00 C ATOM 726 O HIS A 105 -3.545 -4.446 -12.197 1.00 0.00 O ATOM 727 CB HIS A 105 -6.136 -4.587 -10.798 1.00 0.00 C ATOM 728 CG HIS A 105 -7.353 -4.955 -11.590 1.00 0.00 C ATOM 729 ND1 HIS A 105 -7.854 -4.170 -12.607 1.00 0.00 N ATOM 730 CD2 HIS A 105 -8.169 -6.032 -11.511 1.00 0.00 C ATOM 731 CE1 HIS A 105 -8.926 -4.748 -13.118 1.00 0.00 C ATOM 732 NE2 HIS A 105 -9.139 -5.879 -12.471 1.00 0.00 N ATOM 0 H HIS A 105 -4.040 -4.680 -9.251 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.538 -6.649 -10.853 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -6.432 -4.374 -9.771 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -5.712 -3.669 -11.205 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -8.075 -6.858 -10.821 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -9.527 -4.361 -13.928 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -9.900 -6.533 -12.654 1.00 0.00 H new ATOM 740 N LYS A 106 -4.038 -6.554 -12.807 1.00 0.00 N ATOM 741 CA LYS A 106 -3.196 -6.524 -13.997 1.00 0.00 C ATOM 742 C LYS A 106 -3.955 -5.942 -15.186 1.00 0.00 C ATOM 743 O LYS A 106 -3.352 -5.416 -16.122 1.00 0.00 O ATOM 744 CB LYS A 106 -2.702 -7.932 -14.334 1.00 0.00 C ATOM 745 CG LYS A 106 -1.384 -8.290 -13.669 1.00 0.00 C ATOM 746 CD LYS A 106 -1.202 -9.795 -13.566 1.00 0.00 C ATOM 747 CE LYS A 106 -1.978 -10.371 -12.391 1.00 0.00 C ATOM 748 NZ LYS A 106 -2.263 -11.822 -12.572 1.00 0.00 N ATOM 0 H LYS A 106 -4.525 -7.438 -12.658 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.338 -5.885 -13.788 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -3.460 -8.655 -14.033 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -2.590 -8.020 -15.415 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.560 -7.861 -14.239 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -1.346 -7.849 -12.673 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -1.536 -10.267 -14.490 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -0.143 -10.028 -13.453 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -1.409 -10.224 -11.473 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -2.916 -9.828 -12.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -2.793 -12.177 -11.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -2.828 -11.960 -13.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -1.367 -12.344 -12.658 1.00 0.00 H new ATOM 762 N ASP A 107 -5.279 -6.039 -15.141 1.00 0.00 N ATOM 763 CA ASP A 107 -6.120 -5.520 -16.214 1.00 0.00 C ATOM 764 C ASP A 107 -5.832 -4.042 -16.463 1.00 0.00 C ATOM 765 O ASP A 107 -5.759 -3.597 -17.608 1.00 0.00 O ATOM 766 CB ASP A 107 -7.598 -5.714 -15.871 1.00 0.00 C ATOM 767 CG ASP A 107 -8.477 -5.756 -17.105 1.00 0.00 C ATOM 768 OD1 ASP A 107 -8.399 -4.814 -17.922 1.00 0.00 O ATOM 769 OD2 ASP A 107 -9.243 -6.730 -17.255 1.00 0.00 O ATOM 0 H ASP A 107 -5.793 -6.472 -14.374 1.00 0.00 H new ATOM 0 HA ASP A 107 -5.890 -6.075 -17.124 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.719 -6.641 -15.310 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -7.927 -4.903 -15.221 1.00 0.00 H new ATOM 774 N LYS A 108 -5.672 -3.286 -15.382 1.00 0.00 N ATOM 775 CA LYS A 108 -5.393 -1.858 -15.482 1.00 0.00 C ATOM 776 C LYS A 108 -3.948 -1.558 -15.096 1.00 0.00 C ATOM 777 O LYS A 108 -3.408 -0.508 -15.443 1.00 0.00 O ATOM 778 CB LYS A 108 -6.346 -1.067 -14.583 1.00 0.00 C ATOM 779 CG LYS A 108 -7.810 -1.407 -14.801 1.00 0.00 C ATOM 780 CD LYS A 108 -8.416 -0.572 -15.917 1.00 0.00 C ATOM 781 CE LYS A 108 -8.275 -1.258 -17.267 1.00 0.00 C ATOM 782 NZ LYS A 108 -9.440 -2.134 -17.568 1.00 0.00 N ATOM 0 H LYS A 108 -5.731 -3.638 -14.427 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.545 -1.555 -16.518 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -6.089 -1.255 -13.541 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -6.199 -0.002 -14.760 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -7.907 -2.465 -15.044 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -8.365 -1.240 -13.878 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -9.471 -0.393 -15.707 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -7.928 0.402 -15.950 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -8.176 -0.505 -18.049 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -7.361 -1.852 -17.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -9.114 -3.114 -17.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -10.118 -2.093 -16.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.903 -1.808 -18.440 1.00 0.00 H new ATOM 796 N GLY A 109 -3.326 -2.489 -14.378 1.00 0.00 N ATOM 797 CA GLY A 109 -1.949 -2.305 -13.959 1.00 0.00 C ATOM 798 C GLY A 109 -1.831 -1.450 -12.713 1.00 0.00 C ATOM 799 O GLY A 109 -1.118 -0.446 -12.706 1.00 0.00 O ATOM 0 H GLY A 109 -3.751 -3.367 -14.079 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.496 -3.279 -13.772 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.385 -1.842 -14.769 1.00 0.00 H new ATOM 803 N PHE A 110 -2.533 -1.846 -11.657 1.00 0.00 N ATOM 804 CA PHE A 110 -2.506 -1.107 -10.400 1.00 0.00 C ATOM 805 C PHE A 110 -2.718 -2.043 -9.214 1.00 0.00 C ATOM 806 O PHE A 110 -3.396 -3.064 -9.328 1.00 0.00 O ATOM 807 CB PHE A 110 -3.579 -0.017 -10.402 1.00 0.00 C ATOM 808 CG PHE A 110 -3.191 1.205 -11.184 1.00 0.00 C ATOM 809 CD1 PHE A 110 -2.053 1.923 -10.854 1.00 0.00 C ATOM 810 CD2 PHE A 110 -3.964 1.636 -12.251 1.00 0.00 C ATOM 811 CE1 PHE A 110 -1.694 3.048 -11.573 1.00 0.00 C ATOM 812 CE2 PHE A 110 -3.610 2.760 -12.973 1.00 0.00 C ATOM 813 CZ PHE A 110 -2.473 3.466 -12.634 1.00 0.00 C ATOM 0 H PHE A 110 -3.128 -2.675 -11.646 1.00 0.00 H new ATOM 0 HA PHE A 110 -1.525 -0.642 -10.302 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -4.500 -0.426 -10.816 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.793 0.273 -9.373 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -1.439 1.600 -10.026 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -4.854 1.087 -12.521 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.805 3.600 -11.305 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -4.222 3.086 -13.801 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.193 4.344 -13.198 1.00 0.00 H new ATOM 823 N GLY A 111 -2.132 -1.688 -8.075 1.00 0.00 N ATOM 824 CA GLY A 111 -2.267 -2.506 -6.884 1.00 0.00 C ATOM 825 C GLY A 111 -2.420 -1.677 -5.624 1.00 0.00 C ATOM 826 O GLY A 111 -1.914 -0.557 -5.545 1.00 0.00 O ATOM 0 H GLY A 111 -1.566 -0.848 -7.956 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -3.133 -3.159 -6.992 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.392 -3.149 -6.788 1.00 0.00 H new ATOM 830 N PHE A 112 -3.121 -2.226 -4.638 1.00 0.00 N ATOM 831 CA PHE A 112 -3.342 -1.528 -3.376 1.00 0.00 C ATOM 832 C PHE A 112 -3.002 -2.426 -2.191 1.00 0.00 C ATOM 833 O PHE A 112 -3.306 -3.619 -2.196 1.00 0.00 O ATOM 834 CB PHE A 112 -4.795 -1.058 -3.276 1.00 0.00 C ATOM 835 CG PHE A 112 -5.300 -0.401 -4.528 1.00 0.00 C ATOM 836 CD1 PHE A 112 -5.417 -1.121 -5.706 1.00 0.00 C ATOM 837 CD2 PHE A 112 -5.657 0.938 -4.528 1.00 0.00 C ATOM 838 CE1 PHE A 112 -5.883 -0.519 -6.860 1.00 0.00 C ATOM 839 CE2 PHE A 112 -6.123 1.545 -5.678 1.00 0.00 C ATOM 840 CZ PHE A 112 -6.235 0.816 -6.846 1.00 0.00 C ATOM 0 H PHE A 112 -3.546 -3.152 -4.688 1.00 0.00 H new ATOM 0 HA PHE A 112 -2.685 -0.659 -3.350 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -5.430 -1.913 -3.042 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -4.886 -0.358 -2.446 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -5.141 -2.165 -5.723 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -5.570 1.514 -3.618 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.972 -1.092 -7.771 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -6.400 2.589 -5.664 1.00 0.00 H new ATOM 0 HZ PHE A 112 -6.597 1.289 -7.747 1.00 0.00 H new ATOM 850 N ILE A 113 -2.371 -1.844 -1.177 1.00 0.00 N ATOM 851 CA ILE A 113 -1.991 -2.591 0.016 1.00 0.00 C ATOM 852 C ILE A 113 -2.375 -1.836 1.283 1.00 0.00 C ATOM 853 O ILE A 113 -2.154 -0.629 1.390 1.00 0.00 O ATOM 854 CB ILE A 113 -0.478 -2.879 0.041 1.00 0.00 C ATOM 855 CG1 ILE A 113 -0.138 -3.837 1.185 1.00 0.00 C ATOM 856 CG2 ILE A 113 0.306 -1.582 0.178 1.00 0.00 C ATOM 857 CD1 ILE A 113 1.077 -4.695 0.914 1.00 0.00 C ATOM 0 H ILE A 113 -2.112 -0.858 -1.157 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.532 -3.537 -0.018 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.197 -3.352 -0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 113 0.031 -3.259 2.094 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.995 -4.484 1.373 1.00 0.00 H new ATOM 0 HG21 ILE A 113 1.373 -1.802 0.194 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.083 -0.931 -0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.024 -1.083 1.105 1.00 0.00 H new ATOM 0 HD11 ILE A 113 1.258 -5.349 1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.904 -5.300 0.024 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.946 -4.056 0.756 1.00 0.00 H new ATOM 869 N ARG A 114 -2.948 -2.554 2.243 1.00 0.00 N ATOM 870 CA ARG A 114 -3.362 -1.952 3.504 1.00 0.00 C ATOM 871 C ARG A 114 -2.667 -2.627 4.683 1.00 0.00 C ATOM 872 O ARG A 114 -2.795 -3.835 4.885 1.00 0.00 O ATOM 873 CB ARG A 114 -4.880 -2.053 3.669 1.00 0.00 C ATOM 874 CG ARG A 114 -5.394 -1.451 4.966 1.00 0.00 C ATOM 875 CD ARG A 114 -5.433 -2.483 6.082 1.00 0.00 C ATOM 876 NE ARG A 114 -6.413 -3.534 5.821 1.00 0.00 N ATOM 877 CZ ARG A 114 -6.966 -4.276 6.773 1.00 0.00 C ATOM 878 NH1 ARG A 114 -6.639 -4.083 8.043 1.00 0.00 N ATOM 879 NH2 ARG A 114 -7.850 -5.214 6.456 1.00 0.00 N ATOM 0 H ARG A 114 -3.136 -3.554 2.171 1.00 0.00 H new ATOM 0 HA ARG A 114 -3.074 -0.901 3.487 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -5.362 -1.552 2.830 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -5.173 -3.102 3.624 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -4.755 -0.619 5.261 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -6.393 -1.045 4.809 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -4.445 -2.929 6.198 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -5.673 -1.990 7.024 1.00 0.00 H new ATOM 0 HE ARG A 114 -6.688 -3.707 4.854 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -5.961 -3.363 8.291 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -7.066 -4.655 8.772 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -8.105 -5.365 5.480 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -8.274 -5.783 7.188 1.00 0.00 H new ATOM 893 N LEU A 115 -1.930 -1.839 5.458 1.00 0.00 N ATOM 894 CA LEU A 115 -1.213 -2.359 6.617 1.00 0.00 C ATOM 895 C LEU A 115 -2.068 -2.260 7.876 1.00 0.00 C ATOM 896 O LEU A 115 -3.218 -1.825 7.824 1.00 0.00 O ATOM 897 CB LEU A 115 0.098 -1.596 6.816 1.00 0.00 C ATOM 898 CG LEU A 115 0.887 -1.275 5.546 1.00 0.00 C ATOM 899 CD1 LEU A 115 2.251 -0.700 5.896 1.00 0.00 C ATOM 900 CD2 LEU A 115 1.036 -2.519 4.682 1.00 0.00 C ATOM 0 H LEU A 115 -1.813 -0.837 5.305 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.990 -3.410 6.433 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.124 -0.660 7.328 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.737 -2.179 7.479 1.00 0.00 H new ATOM 0 HG LEU A 115 0.335 -0.526 4.978 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.798 -0.478 4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.123 0.216 6.473 1.00 0.00 H new ATOM 0 HD13 LEU A 115 2.811 -1.425 6.486 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.600 -2.272 3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.566 -3.290 5.242 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.049 -2.888 4.402 1.00 0.00 H new ATOM 912 N GLU A 116 -1.498 -2.665 9.007 1.00 0.00 N ATOM 913 CA GLU A 116 -2.208 -2.620 10.279 1.00 0.00 C ATOM 914 C GLU A 116 -2.029 -1.264 10.955 1.00 0.00 C ATOM 915 O GLU A 116 -2.987 -0.510 11.125 1.00 0.00 O ATOM 916 CB GLU A 116 -1.713 -3.734 11.205 1.00 0.00 C ATOM 917 CG GLU A 116 -2.379 -3.731 12.570 1.00 0.00 C ATOM 918 CD GLU A 116 -3.893 -3.709 12.481 1.00 0.00 C ATOM 919 OE1 GLU A 116 -4.461 -4.590 11.804 1.00 0.00 O ATOM 920 OE2 GLU A 116 -4.509 -2.809 13.090 1.00 0.00 O ATOM 0 H GLU A 116 -0.547 -3.028 9.068 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.269 -2.769 10.079 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -1.889 -4.698 10.727 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -0.635 -3.635 11.336 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.064 -4.614 13.125 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -2.039 -2.862 13.134 1.00 0.00 H new ATOM 927 N THR A 117 -0.793 -0.960 11.340 1.00 0.00 N ATOM 928 CA THR A 117 -0.487 0.303 11.999 1.00 0.00 C ATOM 929 C THR A 117 -0.178 1.394 10.980 1.00 0.00 C ATOM 930 O THR A 117 0.099 1.108 9.815 1.00 0.00 O ATOM 931 CB THR A 117 0.709 0.160 12.960 1.00 0.00 C ATOM 932 OG1 THR A 117 1.897 -0.146 12.221 1.00 0.00 O ATOM 933 CG2 THR A 117 0.450 -0.931 13.988 1.00 0.00 C ATOM 0 H THR A 117 0.012 -1.572 11.206 1.00 0.00 H new ATOM 0 HA THR A 117 -1.372 0.584 12.571 1.00 0.00 H new ATOM 0 HB THR A 117 0.841 1.107 13.484 1.00 0.00 H new ATOM 0 HG1 THR A 117 2.257 -1.006 12.522 1.00 0.00 H new ATOM 0 HG21 THR A 117 1.308 -1.013 14.655 1.00 0.00 H new ATOM 0 HG22 THR A 117 -0.438 -0.681 14.568 1.00 0.00 H new ATOM 0 HG23 THR A 117 0.294 -1.882 13.478 1.00 0.00 H new ATOM 941 N ARG A 118 -0.227 2.645 11.426 1.00 0.00 N ATOM 942 CA ARG A 118 0.048 3.779 10.552 1.00 0.00 C ATOM 943 C ARG A 118 1.550 4.005 10.411 1.00 0.00 C ATOM 944 O ARG A 118 2.051 4.262 9.315 1.00 0.00 O ATOM 945 CB ARG A 118 -0.620 5.043 11.096 1.00 0.00 C ATOM 946 CG ARG A 118 -0.208 5.386 12.518 1.00 0.00 C ATOM 947 CD ARG A 118 -0.809 6.708 12.970 1.00 0.00 C ATOM 948 NE ARG A 118 -2.266 6.644 13.061 1.00 0.00 N ATOM 949 CZ ARG A 118 -3.010 7.593 13.616 1.00 0.00 C ATOM 950 NH1 ARG A 118 -2.437 8.675 14.127 1.00 0.00 N ATOM 951 NH2 ARG A 118 -4.329 7.463 13.661 1.00 0.00 N ATOM 0 H ARG A 118 -0.455 2.899 12.387 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.362 3.555 9.567 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -0.376 5.882 10.444 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -1.702 4.916 11.061 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -0.527 4.591 13.192 1.00 0.00 H new ATOM 0 HG3 ARG A 118 0.879 5.439 12.580 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -0.397 6.980 13.942 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -0.524 7.494 12.271 1.00 0.00 H new ATOM 0 HE ARG A 118 -2.737 5.825 12.677 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -1.423 8.779 14.094 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -3.011 9.403 14.553 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -4.773 6.633 13.269 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -4.899 8.193 14.088 1.00 0.00 H new ATOM 965 N THR A 119 2.266 3.909 11.527 1.00 0.00 N ATOM 966 CA THR A 119 3.710 4.105 11.529 1.00 0.00 C ATOM 967 C THR A 119 4.374 3.308 10.412 1.00 0.00 C ATOM 968 O THR A 119 5.197 3.837 9.663 1.00 0.00 O ATOM 969 CB THR A 119 4.331 3.693 12.877 1.00 0.00 C ATOM 970 OG1 THR A 119 3.698 4.405 13.946 1.00 0.00 O ATOM 971 CG2 THR A 119 5.826 3.972 12.891 1.00 0.00 C ATOM 0 H THR A 119 1.868 3.696 12.442 1.00 0.00 H new ATOM 0 HA THR A 119 3.885 5.169 11.367 1.00 0.00 H new ATOM 0 HB THR A 119 4.175 2.623 13.012 1.00 0.00 H new ATOM 0 HG1 THR A 119 4.097 4.136 14.800 1.00 0.00 H new ATOM 0 HG21 THR A 119 6.243 3.673 13.853 1.00 0.00 H new ATOM 0 HG22 THR A 119 6.309 3.406 12.094 1.00 0.00 H new ATOM 0 HG23 THR A 119 5.999 5.037 12.736 1.00 0.00 H new ATOM 979 N LEU A 120 4.011 2.035 10.304 1.00 0.00 N ATOM 980 CA LEU A 120 4.572 1.164 9.276 1.00 0.00 C ATOM 981 C LEU A 120 4.219 1.671 7.881 1.00 0.00 C ATOM 982 O LEU A 120 4.984 1.493 6.934 1.00 0.00 O ATOM 983 CB LEU A 120 4.060 -0.266 9.457 1.00 0.00 C ATOM 984 CG LEU A 120 4.470 -0.967 10.752 1.00 0.00 C ATOM 985 CD1 LEU A 120 3.857 -2.357 10.824 1.00 0.00 C ATOM 986 CD2 LEU A 120 5.986 -1.045 10.860 1.00 0.00 C ATOM 0 H LEU A 120 3.331 1.583 10.915 1.00 0.00 H new ATOM 0 HA LEU A 120 5.657 1.171 9.381 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.971 -0.250 9.405 1.00 0.00 H new ATOM 0 HB3 LEU A 120 4.410 -0.865 8.617 1.00 0.00 H new ATOM 0 HG LEU A 120 4.095 -0.383 11.593 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.160 -2.841 11.753 1.00 0.00 H new ATOM 0 HD12 LEU A 120 2.770 -2.277 10.794 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.201 -2.951 9.977 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.259 -1.547 11.788 1.00 0.00 H new ATOM 0 HD22 LEU A 120 6.383 -1.606 10.014 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.403 -0.038 10.856 1.00 0.00 H new ATOM 998 N ALA A 121 3.056 2.304 7.764 1.00 0.00 N ATOM 999 CA ALA A 121 2.604 2.840 6.487 1.00 0.00 C ATOM 1000 C ALA A 121 3.481 4.004 6.038 1.00 0.00 C ATOM 1001 O ALA A 121 3.846 4.103 4.868 1.00 0.00 O ATOM 1002 CB ALA A 121 1.150 3.278 6.583 1.00 0.00 C ATOM 0 H ALA A 121 2.410 2.458 8.538 1.00 0.00 H new ATOM 0 HA ALA A 121 2.685 2.050 5.741 1.00 0.00 H new ATOM 0 HB1 ALA A 121 0.826 3.676 5.622 1.00 0.00 H new ATOM 0 HB2 ALA A 121 0.529 2.423 6.849 1.00 0.00 H new ATOM 0 HB3 ALA A 121 1.052 4.049 7.347 1.00 0.00 H new ATOM 1008 N GLU A 122 3.814 4.884 6.978 1.00 0.00 N ATOM 1009 CA GLU A 122 4.647 6.043 6.678 1.00 0.00 C ATOM 1010 C GLU A 122 6.036 5.609 6.218 1.00 0.00 C ATOM 1011 O GLU A 122 6.490 5.987 5.137 1.00 0.00 O ATOM 1012 CB GLU A 122 4.764 6.947 7.906 1.00 0.00 C ATOM 1013 CG GLU A 122 3.465 7.646 8.273 1.00 0.00 C ATOM 1014 CD GLU A 122 3.541 8.354 9.611 1.00 0.00 C ATOM 1015 OE1 GLU A 122 4.518 9.099 9.833 1.00 0.00 O ATOM 1016 OE2 GLU A 122 2.624 8.163 10.437 1.00 0.00 O ATOM 0 H GLU A 122 3.520 4.816 7.952 1.00 0.00 H new ATOM 0 HA GLU A 122 4.173 6.600 5.870 1.00 0.00 H new ATOM 0 HB2 GLU A 122 5.099 6.351 8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 122 5.532 7.698 7.722 1.00 0.00 H new ATOM 0 HG2 GLU A 122 3.214 8.369 7.497 1.00 0.00 H new ATOM 0 HG3 GLU A 122 2.658 6.914 8.299 1.00 0.00 H new ATOM 1023 N ILE A 123 6.707 4.816 7.047 1.00 0.00 N ATOM 1024 CA ILE A 123 8.043 4.331 6.726 1.00 0.00 C ATOM 1025 C ILE A 123 8.042 3.538 5.424 1.00 0.00 C ATOM 1026 O ILE A 123 8.790 3.847 4.496 1.00 0.00 O ATOM 1027 CB ILE A 123 8.607 3.446 7.853 1.00 0.00 C ATOM 1028 CG1 ILE A 123 8.685 4.235 9.161 1.00 0.00 C ATOM 1029 CG2 ILE A 123 9.977 2.909 7.470 1.00 0.00 C ATOM 1030 CD1 ILE A 123 8.905 3.366 10.380 1.00 0.00 C ATOM 0 H ILE A 123 6.347 4.496 7.946 1.00 0.00 H new ATOM 0 HA ILE A 123 8.678 5.209 6.613 1.00 0.00 H new ATOM 0 HB ILE A 123 7.935 2.600 8.000 1.00 0.00 H new ATOM 0 HG12 ILE A 123 9.496 4.960 9.091 1.00 0.00 H new ATOM 0 HG13 ILE A 123 7.762 4.801 9.290 1.00 0.00 H new ATOM 0 HG21 ILE A 123 10.362 2.285 8.277 1.00 0.00 H new ATOM 0 HG22 ILE A 123 9.893 2.314 6.560 1.00 0.00 H new ATOM 0 HG23 ILE A 123 10.659 3.742 7.298 1.00 0.00 H new ATOM 0 HD11 ILE A 123 8.950 3.993 11.270 1.00 0.00 H new ATOM 0 HD12 ILE A 123 8.082 2.658 10.476 1.00 0.00 H new ATOM 0 HD13 ILE A 123 9.842 2.820 10.273 1.00 0.00 H new ATOM 1042 N ALA A 124 7.197 2.514 5.361 1.00 0.00 N ATOM 1043 CA ALA A 124 7.095 1.679 4.171 1.00 0.00 C ATOM 1044 C ALA A 124 6.645 2.495 2.964 1.00 0.00 C ATOM 1045 O ALA A 124 6.995 2.184 1.826 1.00 0.00 O ATOM 1046 CB ALA A 124 6.136 0.524 4.418 1.00 0.00 C ATOM 0 H ALA A 124 6.573 2.243 6.121 1.00 0.00 H new ATOM 0 HA ALA A 124 8.084 1.276 3.954 1.00 0.00 H new ATOM 0 HB1 ALA A 124 6.069 -0.092 3.521 1.00 0.00 H new ATOM 0 HB2 ALA A 124 6.502 -0.082 5.247 1.00 0.00 H new ATOM 0 HB3 ALA A 124 5.149 0.917 4.663 1.00 0.00 H new ATOM 1052 N LYS A 125 5.866 3.540 3.220 1.00 0.00 N ATOM 1053 CA LYS A 125 5.367 4.402 2.155 1.00 0.00 C ATOM 1054 C LYS A 125 6.519 5.070 1.411 1.00 0.00 C ATOM 1055 O LYS A 125 6.650 4.930 0.195 1.00 0.00 O ATOM 1056 CB LYS A 125 4.431 5.468 2.730 1.00 0.00 C ATOM 1057 CG LYS A 125 4.366 6.735 1.894 1.00 0.00 C ATOM 1058 CD LYS A 125 3.700 6.483 0.552 1.00 0.00 C ATOM 1059 CE LYS A 125 3.012 7.735 0.028 1.00 0.00 C ATOM 1060 NZ LYS A 125 3.928 8.564 -0.803 1.00 0.00 N ATOM 0 H LYS A 125 5.566 3.811 4.157 1.00 0.00 H new ATOM 0 HA LYS A 125 4.813 3.783 1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 125 3.428 5.050 2.819 1.00 0.00 H new ATOM 0 HB3 LYS A 125 4.760 5.724 3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 125 3.814 7.502 2.437 1.00 0.00 H new ATOM 0 HG3 LYS A 125 5.374 7.119 1.735 1.00 0.00 H new ATOM 0 HD2 LYS A 125 4.446 6.148 -0.169 1.00 0.00 H new ATOM 0 HD3 LYS A 125 2.970 5.680 0.652 1.00 0.00 H new ATOM 0 HE2 LYS A 125 2.142 7.451 -0.564 1.00 0.00 H new ATOM 0 HE3 LYS A 125 2.647 8.327 0.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 3.504 9.501 -0.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 4.839 8.672 -0.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 4.082 8.098 -1.720 1.00 0.00 H new ATOM 1074 N VAL A 126 7.353 5.795 2.150 1.00 0.00 N ATOM 1075 CA VAL A 126 8.496 6.483 1.561 1.00 0.00 C ATOM 1076 C VAL A 126 9.521 5.488 1.029 1.00 0.00 C ATOM 1077 O VAL A 126 9.833 5.480 -0.161 1.00 0.00 O ATOM 1078 CB VAL A 126 9.180 7.412 2.581 1.00 0.00 C ATOM 1079 CG1 VAL A 126 10.418 8.054 1.974 1.00 0.00 C ATOM 1080 CG2 VAL A 126 8.206 8.472 3.073 1.00 0.00 C ATOM 0 H VAL A 126 7.258 5.921 3.158 1.00 0.00 H new ATOM 0 HA VAL A 126 8.113 7.083 0.735 1.00 0.00 H new ATOM 0 HB VAL A 126 9.494 6.814 3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 126 10.887 8.707 2.710 1.00 0.00 H new ATOM 0 HG12 VAL A 126 11.122 7.277 1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 126 10.133 8.639 1.100 1.00 0.00 H new ATOM 0 HG21 VAL A 126 8.706 9.120 3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 126 7.860 9.068 2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 126 7.353 7.989 3.550 1.00 0.00 H new ATOM 1090 N GLU A 127 10.042 4.649 1.920 1.00 0.00 N ATOM 1091 CA GLU A 127 11.033 3.650 1.539 1.00 0.00 C ATOM 1092 C GLU A 127 10.668 3.002 0.206 1.00 0.00 C ATOM 1093 O GLU A 127 11.423 3.085 -0.764 1.00 0.00 O ATOM 1094 CB GLU A 127 11.151 2.577 2.624 1.00 0.00 C ATOM 1095 CG GLU A 127 11.686 3.104 3.945 1.00 0.00 C ATOM 1096 CD GLU A 127 13.201 3.093 4.008 1.00 0.00 C ATOM 1097 OE1 GLU A 127 13.837 3.573 3.046 1.00 0.00 O ATOM 1098 OE2 GLU A 127 13.750 2.603 5.017 1.00 0.00 O ATOM 0 H GLU A 127 9.794 4.642 2.909 1.00 0.00 H new ATOM 0 HA GLU A 127 11.994 4.153 1.428 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.170 2.131 2.791 1.00 0.00 H new ATOM 0 HB3 GLU A 127 11.806 1.782 2.267 1.00 0.00 H new ATOM 0 HG2 GLU A 127 11.327 4.122 4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 127 11.288 2.500 4.761 1.00 0.00 H new ATOM 1105 N LEU A 128 9.508 2.357 0.167 1.00 0.00 N ATOM 1106 CA LEU A 128 9.042 1.695 -1.046 1.00 0.00 C ATOM 1107 C LEU A 128 8.968 2.678 -2.210 1.00 0.00 C ATOM 1108 O LEU A 128 9.414 2.379 -3.318 1.00 0.00 O ATOM 1109 CB LEU A 128 7.669 1.062 -0.811 1.00 0.00 C ATOM 1110 CG LEU A 128 7.635 -0.131 0.146 1.00 0.00 C ATOM 1111 CD1 LEU A 128 6.203 -0.585 0.382 1.00 0.00 C ATOM 1112 CD2 LEU A 128 8.478 -1.275 -0.398 1.00 0.00 C ATOM 0 H LEU A 128 8.873 2.278 0.961 1.00 0.00 H new ATOM 0 HA LEU A 128 9.757 0.913 -1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 128 6.998 1.830 -0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 128 7.269 0.742 -1.773 1.00 0.00 H new ATOM 0 HG LEU A 128 8.057 0.181 1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 128 6.198 -1.434 1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 128 5.629 0.233 0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 128 5.754 -0.880 -0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 128 8.442 -2.115 0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 128 8.087 -1.587 -1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 128 9.510 -0.944 -0.514 1.00 0.00 H new ATOM 1124 N ASP A 129 8.404 3.852 -1.950 1.00 0.00 N ATOM 1125 CA ASP A 129 8.275 4.882 -2.975 1.00 0.00 C ATOM 1126 C ASP A 129 9.583 5.054 -3.741 1.00 0.00 C ATOM 1127 O ASP A 129 10.667 4.923 -3.174 1.00 0.00 O ATOM 1128 CB ASP A 129 7.861 6.212 -2.343 1.00 0.00 C ATOM 1129 CG ASP A 129 7.416 7.229 -3.375 1.00 0.00 C ATOM 1130 OD1 ASP A 129 8.083 7.341 -4.425 1.00 0.00 O ATOM 1131 OD2 ASP A 129 6.400 7.913 -3.133 1.00 0.00 O ATOM 0 H ASP A 129 8.029 4.115 -1.039 1.00 0.00 H new ATOM 0 HA ASP A 129 7.503 4.566 -3.677 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.050 6.038 -1.635 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.698 6.617 -1.775 1.00 0.00 H new ATOM 1136 N ASN A 130 9.473 5.348 -5.032 1.00 0.00 N ATOM 1137 CA ASN A 130 10.648 5.536 -5.876 1.00 0.00 C ATOM 1138 C ASN A 130 11.661 4.417 -5.656 1.00 0.00 C ATOM 1139 O ASN A 130 12.837 4.673 -5.399 1.00 0.00 O ATOM 1140 CB ASN A 130 11.297 6.891 -5.588 1.00 0.00 C ATOM 1141 CG ASN A 130 11.313 7.221 -4.108 1.00 0.00 C ATOM 1142 OD1 ASN A 130 10.295 7.613 -3.537 1.00 0.00 O ATOM 1143 ND2 ASN A 130 12.472 7.064 -3.480 1.00 0.00 N ATOM 0 H ASN A 130 8.583 5.461 -5.517 1.00 0.00 H new ATOM 0 HA ASN A 130 10.325 5.509 -6.917 1.00 0.00 H new ATOM 0 HB2 ASN A 130 12.318 6.890 -5.968 1.00 0.00 H new ATOM 0 HB3 ASN A 130 10.758 7.671 -6.126 1.00 0.00 H new ATOM 0 HD21 ASN A 130 12.544 7.271 -2.484 1.00 0.00 H new ATOM 0 HD22 ASN A 130 13.290 6.737 -3.994 1.00 0.00 H new ATOM 1150 N MET A 131 11.196 3.176 -5.759 1.00 0.00 N ATOM 1151 CA MET A 131 12.062 2.018 -5.572 1.00 0.00 C ATOM 1152 C MET A 131 12.082 1.147 -6.824 1.00 0.00 C ATOM 1153 O MET A 131 11.042 0.800 -7.385 1.00 0.00 O ATOM 1154 CB MET A 131 11.596 1.194 -4.371 1.00 0.00 C ATOM 1155 CG MET A 131 12.473 -0.015 -4.086 1.00 0.00 C ATOM 1156 SD MET A 131 11.815 -1.055 -2.768 1.00 0.00 S ATOM 1157 CE MET A 131 10.649 -2.062 -3.682 1.00 0.00 C ATOM 0 H MET A 131 10.225 2.947 -5.971 1.00 0.00 H new ATOM 0 HA MET A 131 13.074 2.379 -5.385 1.00 0.00 H new ATOM 0 HB2 MET A 131 11.575 1.833 -3.488 1.00 0.00 H new ATOM 0 HB3 MET A 131 10.574 0.858 -4.546 1.00 0.00 H new ATOM 0 HG2 MET A 131 12.574 -0.608 -4.995 1.00 0.00 H new ATOM 0 HG3 MET A 131 13.473 0.323 -3.812 1.00 0.00 H new ATOM 0 HE1 MET A 131 10.602 -3.057 -3.239 1.00 0.00 H new ATOM 0 HE2 MET A 131 9.662 -1.601 -3.644 1.00 0.00 H new ATOM 0 HE3 MET A 131 10.973 -2.142 -4.720 1.00 0.00 H new ATOM 1167 N PRO A 132 13.292 0.783 -7.275 1.00 0.00 N ATOM 1168 CA PRO A 132 13.476 -0.052 -8.465 1.00 0.00 C ATOM 1169 C PRO A 132 13.019 -1.490 -8.240 1.00 0.00 C ATOM 1170 O PRO A 132 13.449 -2.148 -7.292 1.00 0.00 O ATOM 1171 CB PRO A 132 14.987 -0.002 -8.704 1.00 0.00 C ATOM 1172 CG PRO A 132 15.573 0.287 -7.365 1.00 0.00 C ATOM 1173 CD PRO A 132 14.574 1.159 -6.656 1.00 0.00 C ATOM 0 HA PRO A 132 12.886 0.305 -9.309 1.00 0.00 H new ATOM 0 HB2 PRO A 132 15.356 -0.947 -9.102 1.00 0.00 H new ATOM 0 HB3 PRO A 132 15.248 0.772 -9.426 1.00 0.00 H new ATOM 0 HG2 PRO A 132 15.751 -0.634 -6.810 1.00 0.00 H new ATOM 0 HG3 PRO A 132 16.534 0.792 -7.460 1.00 0.00 H new ATOM 0 HD2 PRO A 132 14.571 0.975 -5.582 1.00 0.00 H new ATOM 0 HD3 PRO A 132 14.793 2.217 -6.797 1.00 0.00 H new ATOM 1181 N LEU A 133 12.147 -1.973 -9.118 1.00 0.00 N ATOM 1182 CA LEU A 133 11.632 -3.334 -9.016 1.00 0.00 C ATOM 1183 C LEU A 133 11.608 -4.011 -10.382 1.00 0.00 C ATOM 1184 O LEU A 133 10.752 -3.718 -11.217 1.00 0.00 O ATOM 1185 CB LEU A 133 10.225 -3.324 -8.414 1.00 0.00 C ATOM 1186 CG LEU A 133 9.448 -4.638 -8.504 1.00 0.00 C ATOM 1187 CD1 LEU A 133 9.941 -5.623 -7.456 1.00 0.00 C ATOM 1188 CD2 LEU A 133 7.956 -4.387 -8.343 1.00 0.00 C ATOM 0 H LEU A 133 11.782 -1.442 -9.909 1.00 0.00 H new ATOM 0 HA LEU A 133 12.296 -3.900 -8.363 1.00 0.00 H new ATOM 0 HB2 LEU A 133 10.303 -3.042 -7.364 1.00 0.00 H new ATOM 0 HB3 LEU A 133 9.644 -2.547 -8.911 1.00 0.00 H new ATOM 0 HG LEU A 133 9.619 -5.072 -9.489 1.00 0.00 H new ATOM 0 HD11 LEU A 133 9.376 -6.552 -7.536 1.00 0.00 H new ATOM 0 HD12 LEU A 133 10.999 -5.827 -7.618 1.00 0.00 H new ATOM 0 HD13 LEU A 133 9.801 -5.197 -6.462 1.00 0.00 H new ATOM 0 HD21 LEU A 133 7.419 -5.333 -8.410 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.767 -3.930 -7.372 1.00 0.00 H new ATOM 0 HD23 LEU A 133 7.612 -3.718 -9.132 1.00 0.00 H new ATOM 1200 N ARG A 134 12.553 -4.920 -10.602 1.00 0.00 N ATOM 1201 CA ARG A 134 12.639 -5.640 -11.867 1.00 0.00 C ATOM 1202 C ARG A 134 12.844 -4.674 -13.030 1.00 0.00 C ATOM 1203 O ARG A 134 12.396 -4.927 -14.147 1.00 0.00 O ATOM 1204 CB ARG A 134 11.373 -6.468 -12.095 1.00 0.00 C ATOM 1205 CG ARG A 134 11.096 -7.473 -10.990 1.00 0.00 C ATOM 1206 CD ARG A 134 11.831 -8.783 -11.230 1.00 0.00 C ATOM 1207 NE ARG A 134 13.275 -8.637 -11.069 1.00 0.00 N ATOM 1208 CZ ARG A 134 14.161 -9.472 -11.600 1.00 0.00 C ATOM 1209 NH1 ARG A 134 13.753 -10.506 -12.323 1.00 0.00 N ATOM 1210 NH2 ARG A 134 15.459 -9.273 -11.409 1.00 0.00 N ATOM 0 H ARG A 134 13.269 -5.175 -9.921 1.00 0.00 H new ATOM 0 HA ARG A 134 13.498 -6.309 -11.817 1.00 0.00 H new ATOM 0 HB2 ARG A 134 10.520 -5.795 -12.185 1.00 0.00 H new ATOM 0 HB3 ARG A 134 11.462 -6.998 -13.043 1.00 0.00 H new ATOM 0 HG2 ARG A 134 11.401 -7.054 -10.031 1.00 0.00 H new ATOM 0 HG3 ARG A 134 10.024 -7.662 -10.929 1.00 0.00 H new ATOM 0 HD2 ARG A 134 11.463 -9.538 -10.535 1.00 0.00 H new ATOM 0 HD3 ARG A 134 11.613 -9.142 -12.236 1.00 0.00 H new ATOM 0 HE ARG A 134 13.622 -7.851 -10.519 1.00 0.00 H new ATOM 0 HH11 ARG A 134 12.756 -10.662 -12.473 1.00 0.00 H new ATOM 0 HH12 ARG A 134 14.436 -11.145 -12.729 1.00 0.00 H new ATOM 0 HH21 ARG A 134 15.777 -8.478 -10.854 1.00 0.00 H new ATOM 0 HH22 ARG A 134 16.139 -9.915 -11.817 1.00 0.00 H new ATOM 1224 N GLY A 135 13.525 -3.564 -12.758 1.00 0.00 N ATOM 1225 CA GLY A 135 13.777 -2.577 -13.791 1.00 0.00 C ATOM 1226 C GLY A 135 12.632 -1.595 -13.946 1.00 0.00 C ATOM 1227 O GLY A 135 12.713 -0.656 -14.738 1.00 0.00 O ATOM 0 H GLY A 135 13.906 -3.332 -11.841 1.00 0.00 H new ATOM 0 HA2 GLY A 135 14.690 -2.031 -13.553 1.00 0.00 H new ATOM 0 HA3 GLY A 135 13.947 -3.085 -14.740 1.00 0.00 H new ATOM 1231 N LYS A 136 11.562 -1.813 -13.190 1.00 0.00 N ATOM 1232 CA LYS A 136 10.395 -0.941 -13.246 1.00 0.00 C ATOM 1233 C LYS A 136 10.300 -0.077 -11.993 1.00 0.00 C ATOM 1234 O LYS A 136 10.706 -0.495 -10.909 1.00 0.00 O ATOM 1235 CB LYS A 136 9.119 -1.772 -13.404 1.00 0.00 C ATOM 1236 CG LYS A 136 9.055 -2.546 -14.709 1.00 0.00 C ATOM 1237 CD LYS A 136 8.574 -1.670 -15.853 1.00 0.00 C ATOM 1238 CE LYS A 136 7.059 -1.533 -15.852 1.00 0.00 C ATOM 1239 NZ LYS A 136 6.606 -0.388 -15.015 1.00 0.00 N ATOM 0 H LYS A 136 11.479 -2.587 -12.531 1.00 0.00 H new ATOM 0 HA LYS A 136 10.504 -0.285 -14.110 1.00 0.00 H new ATOM 0 HB2 LYS A 136 9.046 -2.472 -12.572 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.255 -1.111 -13.341 1.00 0.00 H new ATOM 0 HG2 LYS A 136 10.041 -2.945 -14.945 1.00 0.00 H new ATOM 0 HG3 LYS A 136 8.385 -3.398 -14.595 1.00 0.00 H new ATOM 0 HD2 LYS A 136 9.030 -0.683 -15.773 1.00 0.00 H new ATOM 0 HD3 LYS A 136 8.901 -2.096 -16.801 1.00 0.00 H new ATOM 0 HE2 LYS A 136 6.706 -1.397 -16.874 1.00 0.00 H new ATOM 0 HE3 LYS A 136 6.611 -2.454 -15.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 5.820 0.100 -15.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 6.286 -0.739 -14.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 7.395 0.276 -14.879 1.00 0.00 H new ATOM 1253 N GLN A 137 9.760 1.127 -12.149 1.00 0.00 N ATOM 1254 CA GLN A 137 9.612 2.049 -11.029 1.00 0.00 C ATOM 1255 C GLN A 137 8.368 1.716 -10.212 1.00 0.00 C ATOM 1256 O GLN A 137 7.423 1.110 -10.718 1.00 0.00 O ATOM 1257 CB GLN A 137 9.534 3.491 -11.534 1.00 0.00 C ATOM 1258 CG GLN A 137 8.378 3.739 -12.489 1.00 0.00 C ATOM 1259 CD GLN A 137 8.340 5.166 -13.000 1.00 0.00 C ATOM 1260 OE1 GLN A 137 9.247 5.610 -13.705 1.00 0.00 O ATOM 1261 NE2 GLN A 137 7.287 5.894 -12.646 1.00 0.00 N ATOM 0 H GLN A 137 9.418 1.487 -13.040 1.00 0.00 H new ATOM 0 HA GLN A 137 10.486 1.944 -10.386 1.00 0.00 H new ATOM 0 HB2 GLN A 137 9.439 4.162 -10.680 1.00 0.00 H new ATOM 0 HB3 GLN A 137 10.469 3.743 -12.035 1.00 0.00 H new ATOM 0 HG2 GLN A 137 8.457 3.056 -13.335 1.00 0.00 H new ATOM 0 HG3 GLN A 137 7.439 3.513 -11.984 1.00 0.00 H new ATOM 0 HE21 GLN A 137 6.558 5.486 -12.060 1.00 0.00 H new ATOM 0 HE22 GLN A 137 7.207 6.861 -12.960 1.00 0.00 H new ATOM 1270 N LEU A 138 8.374 2.116 -8.945 1.00 0.00 N ATOM 1271 CA LEU A 138 7.245 1.861 -8.056 1.00 0.00 C ATOM 1272 C LEU A 138 6.720 3.160 -7.456 1.00 0.00 C ATOM 1273 O LEU A 138 7.411 3.821 -6.680 1.00 0.00 O ATOM 1274 CB LEU A 138 7.657 0.899 -6.940 1.00 0.00 C ATOM 1275 CG LEU A 138 7.842 -0.563 -7.347 1.00 0.00 C ATOM 1276 CD1 LEU A 138 8.545 -1.339 -6.245 1.00 0.00 C ATOM 1277 CD2 LEU A 138 6.498 -1.198 -7.676 1.00 0.00 C ATOM 0 H LEU A 138 9.148 2.618 -8.510 1.00 0.00 H new ATOM 0 HA LEU A 138 6.447 1.406 -8.643 1.00 0.00 H new ATOM 0 HB2 LEU A 138 8.592 1.256 -6.507 1.00 0.00 H new ATOM 0 HB3 LEU A 138 6.904 0.944 -6.153 1.00 0.00 H new ATOM 0 HG LEU A 138 8.466 -0.596 -8.240 1.00 0.00 H new ATOM 0 HD11 LEU A 138 8.668 -2.377 -6.553 1.00 0.00 H new ATOM 0 HD12 LEU A 138 9.524 -0.898 -6.057 1.00 0.00 H new ATOM 0 HD13 LEU A 138 7.948 -1.299 -5.334 1.00 0.00 H new ATOM 0 HD21 LEU A 138 6.648 -2.239 -7.964 1.00 0.00 H new ATOM 0 HD22 LEU A 138 5.850 -1.153 -6.800 1.00 0.00 H new ATOM 0 HD23 LEU A 138 6.032 -0.657 -8.500 1.00 0.00 H new ATOM 1289 N ARG A 139 5.492 3.520 -7.817 1.00 0.00 N ATOM 1290 CA ARG A 139 4.874 4.740 -7.313 1.00 0.00 C ATOM 1291 C ARG A 139 3.997 4.444 -6.100 1.00 0.00 C ATOM 1292 O ARG A 139 2.969 3.776 -6.211 1.00 0.00 O ATOM 1293 CB ARG A 139 4.039 5.404 -8.409 1.00 0.00 C ATOM 1294 CG ARG A 139 3.319 6.662 -7.949 1.00 0.00 C ATOM 1295 CD ARG A 139 4.301 7.771 -7.605 1.00 0.00 C ATOM 1296 NE ARG A 139 3.669 9.087 -7.625 1.00 0.00 N ATOM 1297 CZ ARG A 139 4.338 10.221 -7.800 1.00 0.00 C ATOM 1298 NH1 ARG A 139 5.653 10.200 -7.970 1.00 0.00 N ATOM 1299 NH2 ARG A 139 3.692 11.380 -7.807 1.00 0.00 N ATOM 0 H ARG A 139 4.906 2.984 -8.457 1.00 0.00 H new ATOM 0 HA ARG A 139 5.669 5.421 -7.008 1.00 0.00 H new ATOM 0 HB2 ARG A 139 4.689 5.654 -9.248 1.00 0.00 H new ATOM 0 HB3 ARG A 139 3.304 4.689 -8.777 1.00 0.00 H new ATOM 0 HG2 ARG A 139 2.643 7.003 -8.733 1.00 0.00 H new ATOM 0 HG3 ARG A 139 2.706 6.434 -7.077 1.00 0.00 H new ATOM 0 HD2 ARG A 139 4.724 7.587 -6.617 1.00 0.00 H new ATOM 0 HD3 ARG A 139 5.128 7.755 -8.314 1.00 0.00 H new ATOM 0 HE ARG A 139 2.658 9.138 -7.498 1.00 0.00 H new ATOM 0 HH11 ARG A 139 6.154 9.311 -7.967 1.00 0.00 H new ATOM 0 HH12 ARG A 139 6.164 11.073 -8.104 1.00 0.00 H new ATOM 0 HH21 ARG A 139 2.680 11.401 -7.678 1.00 0.00 H new ATOM 0 HH22 ARG A 139 4.207 12.250 -7.941 1.00 0.00 H new ATOM 1313 N VAL A 140 4.412 4.945 -4.940 1.00 0.00 N ATOM 1314 CA VAL A 140 3.664 4.735 -3.706 1.00 0.00 C ATOM 1315 C VAL A 140 3.058 6.040 -3.202 1.00 0.00 C ATOM 1316 O VAL A 140 3.759 6.889 -2.650 1.00 0.00 O ATOM 1317 CB VAL A 140 4.558 4.137 -2.603 1.00 0.00 C ATOM 1318 CG1 VAL A 140 3.747 3.867 -1.346 1.00 0.00 C ATOM 1319 CG2 VAL A 140 5.233 2.866 -3.096 1.00 0.00 C ATOM 0 H VAL A 140 5.262 5.499 -4.829 1.00 0.00 H new ATOM 0 HA VAL A 140 2.864 4.031 -3.936 1.00 0.00 H new ATOM 0 HB VAL A 140 5.334 4.861 -2.356 1.00 0.00 H new ATOM 0 HG11 VAL A 140 4.395 3.445 -0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 140 3.316 4.800 -0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 140 2.947 3.162 -1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 140 5.861 2.457 -2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 140 4.474 2.134 -3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 140 5.849 3.095 -3.966 1.00 0.00 H new ATOM 1329 N ARG A 141 1.752 6.192 -3.394 1.00 0.00 N ATOM 1330 CA ARG A 141 1.051 7.394 -2.959 1.00 0.00 C ATOM 1331 C ARG A 141 -0.089 7.044 -2.006 1.00 0.00 C ATOM 1332 O ARG A 141 -0.722 5.997 -2.138 1.00 0.00 O ATOM 1333 CB ARG A 141 0.505 8.157 -4.167 1.00 0.00 C ATOM 1334 CG ARG A 141 -0.592 7.413 -4.912 1.00 0.00 C ATOM 1335 CD ARG A 141 -1.471 8.365 -5.707 1.00 0.00 C ATOM 1336 NE ARG A 141 -0.949 8.598 -7.051 1.00 0.00 N ATOM 1337 CZ ARG A 141 -1.626 9.233 -8.002 1.00 0.00 C ATOM 1338 NH1 ARG A 141 -2.844 9.695 -7.757 1.00 0.00 N ATOM 1339 NH2 ARG A 141 -1.084 9.406 -9.201 1.00 0.00 N ATOM 0 H ARG A 141 1.158 5.498 -3.848 1.00 0.00 H new ATOM 0 HA ARG A 141 1.762 8.028 -2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 141 0.118 9.120 -3.833 1.00 0.00 H new ATOM 0 HB3 ARG A 141 1.324 8.364 -4.856 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -0.144 6.682 -5.585 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -1.205 6.859 -4.201 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -2.479 7.956 -5.775 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -1.548 9.315 -5.178 1.00 0.00 H new ATOM 0 HE ARG A 141 -0.014 8.255 -7.272 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -3.264 9.563 -6.837 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -3.361 10.182 -8.489 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -0.147 9.051 -9.393 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -1.604 9.893 -9.930 1.00 0.00 H new ATOM 1353 N PHE A 142 -0.344 7.928 -1.048 1.00 0.00 N ATOM 1354 CA PHE A 142 -1.406 7.713 -0.072 1.00 0.00 C ATOM 1355 C PHE A 142 -2.779 7.833 -0.727 1.00 0.00 C ATOM 1356 O PHE A 142 -3.267 8.936 -0.972 1.00 0.00 O ATOM 1357 CB PHE A 142 -1.286 8.718 1.075 1.00 0.00 C ATOM 1358 CG PHE A 142 -0.248 8.344 2.094 1.00 0.00 C ATOM 1359 CD1 PHE A 142 -0.434 7.248 2.922 1.00 0.00 C ATOM 1360 CD2 PHE A 142 0.915 9.087 2.223 1.00 0.00 C ATOM 1361 CE1 PHE A 142 0.520 6.902 3.860 1.00 0.00 C ATOM 1362 CE2 PHE A 142 1.872 8.746 3.160 1.00 0.00 C ATOM 1363 CZ PHE A 142 1.675 7.651 3.979 1.00 0.00 C ATOM 0 H PHE A 142 0.170 8.800 -0.926 1.00 0.00 H new ATOM 0 HA PHE A 142 -1.300 6.704 0.326 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -1.044 9.698 0.665 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -2.253 8.810 1.570 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -1.334 6.658 2.833 1.00 0.00 H new ATOM 0 HD2 PHE A 142 1.075 9.943 1.584 1.00 0.00 H new ATOM 0 HE1 PHE A 142 0.363 6.046 4.500 1.00 0.00 H new ATOM 0 HE2 PHE A 142 2.773 9.335 3.252 1.00 0.00 H new ATOM 0 HZ PHE A 142 2.422 7.381 4.711 1.00 0.00 H new ATOM 1373 N ALA A 143 -3.396 6.690 -1.008 1.00 0.00 N ATOM 1374 CA ALA A 143 -4.713 6.667 -1.634 1.00 0.00 C ATOM 1375 C ALA A 143 -5.742 7.392 -0.773 1.00 0.00 C ATOM 1376 O ALA A 143 -6.301 6.816 0.161 1.00 0.00 O ATOM 1377 CB ALA A 143 -5.151 5.232 -1.887 1.00 0.00 C ATOM 0 H ALA A 143 -3.006 5.768 -0.812 1.00 0.00 H new ATOM 0 HA ALA A 143 -4.644 7.188 -2.589 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -6.136 5.229 -2.355 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -4.434 4.744 -2.547 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -5.197 4.693 -0.940 1.00 0.00 H new