USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 422 CYS SG : rot -154:sc= 0.106 USER MOD Set 1.2: A 425 CYS SG : rot 180:sc= 0.204 USER MOD Set 1.3: A 438 HIS : no HD1:sc= -0.404 K(o=-1.1,f=-2.7) USER MOD Set 1.4: A 443 HIS : no HE2:sc= -0.972 K(o=-1.1,f=-2) USER MOD Set 2.1: A 392 CYS SG : rot 164:sc= 0.203 USER MOD Set 2.2: A 395 CYS SG : rot 139:sc= 0.587 USER MOD Set 2.3: A 408 HIS : no HE2:sc= -0.574 K(o=-0.27,f=-3.1) USER MOD Set 2.4: A 412 HIS : no HE2:sc= -0.49 K(o=-0.27,f=-8.9!) USER MOD Set 3.1: A 364 CYS SG : rot 90:sc= -0.618 USER MOD Set 3.2: A 367 CYS SG : rot -43:sc= 0.544 USER MOD Set 3.3: A 380 HIS : no HD1:sc= 0.114 K(o=0.04,f=-3.1) USER MOD Single : A 369 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.334) USER MOD Single : A 375 TYR OH : rot 180:sc= 0 USER MOD Single : A 376 HIS : no HD1:sc= -0.0888 X(o=-0.089,f=-0.28) USER MOD Single : A 378 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 381 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 390 TYR OH : rot 180:sc= 0 USER MOD Single : A 391 SER OG : rot 79:sc= 0.0103 USER MOD Single : A 400 LYS NZ :NH3+ 146:sc= 0 (180deg=-1.07) USER MOD Single : A 402 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0237) USER MOD Single : A 405 MET CE :methyl -144:sc= -1.92 (180deg=-3.12!) USER MOD Single : A 406 SER OG : rot 180:sc= 0 USER MOD Single : A 407 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 SER OG : rot 180:sc= 0 USER MOD Single : A 418 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 420 TYR OH : rot 180:sc= 0 USER MOD Single : A 423 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 424 SER OG : rot 180:sc= 0 USER MOD Single : A 427 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 430 SER OG : rot 180:sc= 0.115 USER MOD Single : A 434 HIS : no HD1:sc= -0.608 K(o=-0.61,f=-0.044) USER MOD Single : A 436 ASN : amide:sc= -0.3 X(o=-0.3,f=-0.0094) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 441 GLN : amide:sc= -0.0599 X(o=-0.06,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 362 -12.495 -21.617 -19.447 1.00 0.00 N ATOM 67 CA VAL A 362 -11.329 -20.962 -18.866 1.00 0.00 C ATOM 68 C VAL A 362 -11.742 -19.926 -17.827 1.00 0.00 C ATOM 69 O VAL A 362 -12.675 -19.153 -18.043 1.00 0.00 O ATOM 70 CB VAL A 362 -10.474 -20.276 -19.947 1.00 0.00 C ATOM 71 CG1 VAL A 362 -11.305 -19.269 -20.727 1.00 0.00 C ATOM 72 CG2 VAL A 362 -9.260 -19.607 -19.320 1.00 0.00 C ATOM 0 HA VAL A 362 -10.736 -21.740 -18.384 1.00 0.00 H new ATOM 0 HB VAL A 362 -10.122 -21.037 -20.644 1.00 0.00 H new ATOM 0 HG11 VAL A 362 -10.683 -18.795 -21.486 1.00 0.00 H new ATOM 0 HG12 VAL A 362 -12.139 -19.780 -21.208 1.00 0.00 H new ATOM 0 HG13 VAL A 362 -11.689 -18.509 -20.046 1.00 0.00 H new ATOM 0 HG21 VAL A 362 -8.667 -19.127 -20.098 1.00 0.00 H new ATOM 0 HG22 VAL A 362 -9.589 -18.857 -18.600 1.00 0.00 H new ATOM 0 HG23 VAL A 362 -8.653 -20.357 -18.812 1.00 0.00 H new ATOM 82 N ALA A 363 -11.040 -19.915 -16.699 1.00 0.00 N ATOM 83 CA ALA A 363 -11.331 -18.971 -15.627 1.00 0.00 C ATOM 84 C ALA A 363 -10.271 -17.877 -15.555 1.00 0.00 C ATOM 85 O ALA A 363 -9.074 -18.161 -15.513 1.00 0.00 O ATOM 86 CB ALA A 363 -11.432 -19.700 -14.295 1.00 0.00 C ATOM 0 H ALA A 363 -10.265 -20.549 -16.504 1.00 0.00 H new ATOM 0 HA ALA A 363 -12.289 -18.498 -15.843 1.00 0.00 H new ATOM 0 HB1 ALA A 363 -11.650 -18.983 -13.503 1.00 0.00 H new ATOM 0 HB2 ALA A 363 -12.231 -20.439 -14.345 1.00 0.00 H new ATOM 0 HB3 ALA A 363 -10.488 -20.200 -14.082 1.00 0.00 H new ATOM 92 N CYS A 364 -10.719 -16.626 -15.541 1.00 0.00 N ATOM 93 CA CYS A 364 -9.809 -15.489 -15.475 1.00 0.00 C ATOM 94 C CYS A 364 -9.000 -15.514 -14.182 1.00 0.00 C ATOM 95 O CYS A 364 -9.544 -15.746 -13.103 1.00 0.00 O ATOM 96 CB CYS A 364 -10.590 -14.178 -15.576 1.00 0.00 C ATOM 97 SG CYS A 364 -9.567 -12.733 -16.005 1.00 0.00 S ATOM 0 H CYS A 364 -11.707 -16.374 -15.574 1.00 0.00 H new ATOM 0 HA CYS A 364 -9.119 -15.559 -16.316 1.00 0.00 H new ATOM 0 HB2 CYS A 364 -11.373 -14.291 -16.326 1.00 0.00 H new ATOM 0 HB3 CYS A 364 -11.086 -13.989 -14.624 1.00 0.00 H new ATOM 0 HG CYS A 364 -9.522 -12.601 -17.298 1.00 0.00 H new ATOM 102 N GLU A 365 -7.698 -15.272 -14.300 1.00 0.00 N ATOM 103 CA GLU A 365 -6.814 -15.267 -13.140 1.00 0.00 C ATOM 104 C GLU A 365 -6.608 -13.848 -12.619 1.00 0.00 C ATOM 105 O GLU A 365 -5.586 -13.544 -12.002 1.00 0.00 O ATOM 106 CB GLU A 365 -5.464 -15.893 -13.496 1.00 0.00 C ATOM 107 CG GLU A 365 -4.714 -15.143 -14.584 1.00 0.00 C ATOM 108 CD GLU A 365 -4.030 -16.072 -15.568 1.00 0.00 C ATOM 109 OE1 GLU A 365 -3.006 -16.682 -15.194 1.00 0.00 O ATOM 110 OE2 GLU A 365 -4.518 -16.190 -16.711 1.00 0.00 O ATOM 0 H GLU A 365 -7.232 -15.077 -15.186 1.00 0.00 H new ATOM 0 HA GLU A 365 -7.284 -15.859 -12.355 1.00 0.00 H new ATOM 0 HB2 GLU A 365 -4.844 -15.933 -12.600 1.00 0.00 H new ATOM 0 HB3 GLU A 365 -5.624 -16.922 -13.819 1.00 0.00 H new ATOM 0 HG2 GLU A 365 -5.410 -14.499 -15.122 1.00 0.00 H new ATOM 0 HG3 GLU A 365 -3.969 -14.494 -14.125 1.00 0.00 H new ATOM 117 N ILE A 366 -7.584 -12.983 -12.873 1.00 0.00 N ATOM 118 CA ILE A 366 -7.510 -11.596 -12.430 1.00 0.00 C ATOM 119 C ILE A 366 -8.756 -11.202 -11.645 1.00 0.00 C ATOM 120 O ILE A 366 -8.675 -10.482 -10.649 1.00 0.00 O ATOM 121 CB ILE A 366 -7.340 -10.634 -13.620 1.00 0.00 C ATOM 122 CG1 ILE A 366 -6.080 -10.984 -14.413 1.00 0.00 C ATOM 123 CG2 ILE A 366 -7.283 -9.194 -13.132 1.00 0.00 C ATOM 124 CD1 ILE A 366 -6.333 -11.195 -15.889 1.00 0.00 C ATOM 0 H ILE A 366 -8.435 -13.218 -13.383 1.00 0.00 H new ATOM 0 HA ILE A 366 -6.637 -11.518 -11.782 1.00 0.00 H new ATOM 0 HB ILE A 366 -8.201 -10.740 -14.280 1.00 0.00 H new ATOM 0 HG12 ILE A 366 -5.349 -10.185 -14.289 1.00 0.00 H new ATOM 0 HG13 ILE A 366 -5.638 -11.889 -13.996 1.00 0.00 H new ATOM 0 HG21 ILE A 366 -7.163 -8.525 -13.984 1.00 0.00 H new ATOM 0 HG22 ILE A 366 -8.207 -8.951 -12.608 1.00 0.00 H new ATOM 0 HG23 ILE A 366 -6.438 -9.073 -12.454 1.00 0.00 H new ATOM 0 HD11 ILE A 366 -5.395 -11.440 -16.388 1.00 0.00 H new ATOM 0 HD12 ILE A 366 -7.040 -12.014 -16.024 1.00 0.00 H new ATOM 0 HD13 ILE A 366 -6.747 -10.284 -16.321 1.00 0.00 H new ATOM 136 N CYS A 367 -9.910 -11.681 -12.098 1.00 0.00 N ATOM 137 CA CYS A 367 -11.175 -11.381 -11.439 1.00 0.00 C ATOM 138 C CYS A 367 -11.878 -12.662 -11.002 1.00 0.00 C ATOM 139 O CYS A 367 -12.478 -12.719 -9.929 1.00 0.00 O ATOM 140 CB CYS A 367 -12.084 -10.580 -12.373 1.00 0.00 C ATOM 141 SG CYS A 367 -12.219 -11.273 -14.053 1.00 0.00 S ATOM 0 H CYS A 367 -9.995 -12.279 -12.920 1.00 0.00 H new ATOM 0 HA CYS A 367 -10.961 -10.784 -10.552 1.00 0.00 H new ATOM 0 HB2 CYS A 367 -13.080 -10.524 -11.933 1.00 0.00 H new ATOM 0 HB3 CYS A 367 -11.708 -9.559 -12.442 1.00 0.00 H new ATOM 0 HG CYS A 367 -11.044 -11.650 -14.462 1.00 0.00 H new ATOM 146 N GLY A 368 -11.799 -13.690 -11.842 1.00 0.00 N ATOM 147 CA GLY A 368 -12.431 -14.957 -11.525 1.00 0.00 C ATOM 148 C GLY A 368 -13.660 -15.220 -12.373 1.00 0.00 C ATOM 149 O GLY A 368 -14.598 -15.885 -11.932 1.00 0.00 O ATOM 0 H GLY A 368 -11.309 -13.668 -12.736 1.00 0.00 H new ATOM 0 HA2 GLY A 368 -11.713 -15.764 -11.671 1.00 0.00 H new ATOM 0 HA3 GLY A 368 -12.711 -14.966 -10.472 1.00 0.00 H new ATOM 153 N LYS A 369 -13.657 -14.696 -13.594 1.00 0.00 N ATOM 154 CA LYS A 369 -14.779 -14.876 -14.507 1.00 0.00 C ATOM 155 C LYS A 369 -14.544 -16.068 -15.430 1.00 0.00 C ATOM 156 O LYS A 369 -13.444 -16.253 -15.951 1.00 0.00 O ATOM 157 CB LYS A 369 -14.996 -13.609 -15.338 1.00 0.00 C ATOM 158 CG LYS A 369 -16.023 -12.660 -14.744 1.00 0.00 C ATOM 159 CD LYS A 369 -15.635 -12.227 -13.340 1.00 0.00 C ATOM 160 CE LYS A 369 -16.482 -12.924 -12.287 1.00 0.00 C ATOM 161 NZ LYS A 369 -15.799 -12.968 -10.965 1.00 0.00 N ATOM 0 H LYS A 369 -12.889 -14.143 -13.974 1.00 0.00 H new ATOM 0 HA LYS A 369 -15.671 -15.070 -13.912 1.00 0.00 H new ATOM 0 HB2 LYS A 369 -14.046 -13.085 -15.441 1.00 0.00 H new ATOM 0 HB3 LYS A 369 -15.313 -13.893 -16.341 1.00 0.00 H new ATOM 0 HG2 LYS A 369 -16.121 -11.782 -15.383 1.00 0.00 H new ATOM 0 HG3 LYS A 369 -16.998 -13.147 -14.719 1.00 0.00 H new ATOM 0 HD2 LYS A 369 -14.582 -12.450 -13.167 1.00 0.00 H new ATOM 0 HD3 LYS A 369 -15.752 -11.147 -13.246 1.00 0.00 H new ATOM 0 HE2 LYS A 369 -17.435 -12.405 -12.186 1.00 0.00 H new ATOM 0 HE3 LYS A 369 -16.705 -13.939 -12.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 -16.188 -13.749 -10.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 -14.779 -13.117 -11.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 -15.952 -12.069 -10.465 1.00 0.00 H new ATOM 175 N ILE A 370 -15.584 -16.870 -15.629 1.00 0.00 N ATOM 176 CA ILE A 370 -15.491 -18.042 -16.491 1.00 0.00 C ATOM 177 C ILE A 370 -15.898 -17.705 -17.922 1.00 0.00 C ATOM 178 O ILE A 370 -16.753 -16.849 -18.151 1.00 0.00 O ATOM 179 CB ILE A 370 -16.374 -19.193 -15.975 1.00 0.00 C ATOM 180 CG1 ILE A 370 -16.080 -19.468 -14.499 1.00 0.00 C ATOM 181 CG2 ILE A 370 -16.151 -20.446 -16.809 1.00 0.00 C ATOM 182 CD1 ILE A 370 -14.633 -19.815 -14.226 1.00 0.00 C ATOM 0 H ILE A 370 -16.501 -16.730 -15.205 1.00 0.00 H new ATOM 0 HA ILE A 370 -14.449 -18.362 -16.478 1.00 0.00 H new ATOM 0 HB ILE A 370 -17.420 -18.900 -16.068 1.00 0.00 H new ATOM 0 HG12 ILE A 370 -16.352 -18.590 -13.913 1.00 0.00 H new ATOM 0 HG13 ILE A 370 -16.712 -20.287 -14.157 1.00 0.00 H new ATOM 0 HG21 ILE A 370 -16.782 -21.251 -16.432 1.00 0.00 H new ATOM 0 HG22 ILE A 370 -16.406 -20.241 -17.849 1.00 0.00 H new ATOM 0 HG23 ILE A 370 -15.105 -20.745 -16.744 1.00 0.00 H new ATOM 0 HD11 ILE A 370 -14.497 -19.997 -13.160 1.00 0.00 H new ATOM 0 HD12 ILE A 370 -14.362 -20.711 -14.785 1.00 0.00 H new ATOM 0 HD13 ILE A 370 -13.996 -18.987 -14.536 1.00 0.00 H new ATOM 194 N PHE A 371 -15.281 -18.386 -18.882 1.00 0.00 N ATOM 195 CA PHE A 371 -15.579 -18.160 -20.292 1.00 0.00 C ATOM 196 C PHE A 371 -15.779 -19.484 -21.024 1.00 0.00 C ATOM 197 O PHE A 371 -15.016 -20.431 -20.835 1.00 0.00 O ATOM 198 CB PHE A 371 -14.452 -17.364 -20.953 1.00 0.00 C ATOM 199 CG PHE A 371 -14.248 -16.002 -20.352 1.00 0.00 C ATOM 200 CD1 PHE A 371 -13.546 -15.851 -19.167 1.00 0.00 C ATOM 201 CD2 PHE A 371 -14.758 -14.874 -20.973 1.00 0.00 C ATOM 202 CE1 PHE A 371 -13.358 -14.599 -18.612 1.00 0.00 C ATOM 203 CE2 PHE A 371 -14.573 -13.619 -20.423 1.00 0.00 C ATOM 204 CZ PHE A 371 -13.871 -13.482 -19.242 1.00 0.00 C ATOM 0 H PHE A 371 -14.572 -19.099 -18.710 1.00 0.00 H new ATOM 0 HA PHE A 371 -16.504 -17.586 -20.355 1.00 0.00 H new ATOM 0 HB2 PHE A 371 -13.524 -17.930 -20.874 1.00 0.00 H new ATOM 0 HB3 PHE A 371 -14.670 -17.255 -22.015 1.00 0.00 H new ATOM 0 HD1 PHE A 371 -13.141 -16.721 -18.671 1.00 0.00 H new ATOM 0 HD2 PHE A 371 -15.307 -14.976 -21.898 1.00 0.00 H new ATOM 0 HE1 PHE A 371 -12.811 -14.494 -17.687 1.00 0.00 H new ATOM 0 HE2 PHE A 371 -14.977 -12.747 -20.916 1.00 0.00 H new ATOM 0 HZ PHE A 371 -13.723 -12.503 -18.811 1.00 0.00 H new ATOM 214 N ARG A 372 -16.811 -19.541 -21.860 1.00 0.00 N ATOM 215 CA ARG A 372 -17.113 -20.748 -22.620 1.00 0.00 C ATOM 216 C ARG A 372 -16.008 -21.045 -23.630 1.00 0.00 C ATOM 217 O ARG A 372 -15.801 -22.195 -24.017 1.00 0.00 O ATOM 218 CB ARG A 372 -18.453 -20.600 -23.342 1.00 0.00 C ATOM 219 CG ARG A 372 -18.558 -19.335 -24.177 1.00 0.00 C ATOM 220 CD ARG A 372 -18.825 -19.654 -25.640 1.00 0.00 C ATOM 221 NE ARG A 372 -20.085 -20.369 -25.823 1.00 0.00 N ATOM 222 CZ ARG A 372 -20.453 -20.926 -26.971 1.00 0.00 C ATOM 223 NH1 ARG A 372 -19.662 -20.852 -28.032 1.00 0.00 N ATOM 224 NH2 ARG A 372 -21.615 -21.561 -27.059 1.00 0.00 N ATOM 0 H ARG A 372 -17.452 -18.765 -22.028 1.00 0.00 H new ATOM 0 HA ARG A 372 -17.176 -21.582 -21.921 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -18.606 -21.465 -23.987 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -19.256 -20.606 -22.605 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -19.359 -18.707 -23.788 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -17.634 -18.763 -24.091 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -18.847 -18.728 -26.215 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -18.006 -20.255 -26.035 1.00 0.00 H new ATOM 0 HE ARG A 372 -20.717 -20.445 -25.026 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -18.767 -20.366 -27.968 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -19.948 -21.281 -28.912 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -22.226 -21.621 -26.245 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -21.897 -21.989 -27.941 1.00 0.00 H new ATOM 238 N ASP A 373 -15.304 -20.002 -24.052 1.00 0.00 N ATOM 239 CA ASP A 373 -14.220 -20.150 -25.017 1.00 0.00 C ATOM 240 C ASP A 373 -13.014 -19.308 -24.614 1.00 0.00 C ATOM 241 O ASP A 373 -13.142 -18.343 -23.860 1.00 0.00 O ATOM 242 CB ASP A 373 -14.695 -19.749 -26.414 1.00 0.00 C ATOM 243 CG ASP A 373 -14.904 -20.946 -27.321 1.00 0.00 C ATOM 244 OD1 ASP A 373 -14.029 -21.837 -27.338 1.00 0.00 O ATOM 245 OD2 ASP A 373 -15.943 -20.992 -28.013 1.00 0.00 O ATOM 0 H ASP A 373 -15.464 -19.044 -23.741 1.00 0.00 H new ATOM 0 HA ASP A 373 -13.919 -21.198 -25.031 1.00 0.00 H new ATOM 0 HB2 ASP A 373 -15.628 -19.192 -26.331 1.00 0.00 H new ATOM 0 HB3 ASP A 373 -13.963 -19.079 -26.865 1.00 0.00 H new ATOM 250 N VAL A 374 -11.843 -19.680 -25.121 1.00 0.00 N ATOM 251 CA VAL A 374 -10.614 -18.958 -24.814 1.00 0.00 C ATOM 252 C VAL A 374 -10.456 -17.735 -25.710 1.00 0.00 C ATOM 253 O VAL A 374 -9.793 -16.764 -25.343 1.00 0.00 O ATOM 254 CB VAL A 374 -9.377 -19.862 -24.975 1.00 0.00 C ATOM 255 CG1 VAL A 374 -8.116 -19.123 -24.553 1.00 0.00 C ATOM 256 CG2 VAL A 374 -9.547 -21.144 -24.174 1.00 0.00 C ATOM 0 H VAL A 374 -11.720 -20.477 -25.746 1.00 0.00 H new ATOM 0 HA VAL A 374 -10.687 -18.636 -23.775 1.00 0.00 H new ATOM 0 HB VAL A 374 -9.278 -20.128 -26.027 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -7.253 -19.778 -24.674 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -7.989 -18.236 -25.174 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -8.202 -18.825 -23.508 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -8.664 -21.771 -24.299 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -9.672 -20.900 -23.119 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -10.427 -21.681 -24.529 1.00 0.00 H new ATOM 266 N TYR A 375 -11.069 -17.789 -26.887 1.00 0.00 N ATOM 267 CA TYR A 375 -10.995 -16.686 -27.838 1.00 0.00 C ATOM 268 C TYR A 375 -11.615 -15.420 -27.254 1.00 0.00 C ATOM 269 O TYR A 375 -11.161 -14.308 -27.528 1.00 0.00 O ATOM 270 CB TYR A 375 -11.704 -17.059 -29.141 1.00 0.00 C ATOM 271 CG TYR A 375 -10.766 -17.540 -30.225 1.00 0.00 C ATOM 272 CD1 TYR A 375 -9.791 -18.492 -29.955 1.00 0.00 C ATOM 273 CD2 TYR A 375 -10.856 -17.042 -31.519 1.00 0.00 C ATOM 274 CE1 TYR A 375 -8.932 -18.934 -30.943 1.00 0.00 C ATOM 275 CE2 TYR A 375 -10.001 -17.479 -32.513 1.00 0.00 C ATOM 276 CZ TYR A 375 -9.041 -18.424 -32.220 1.00 0.00 C ATOM 277 OH TYR A 375 -8.187 -18.862 -33.206 1.00 0.00 O ATOM 0 H TYR A 375 -11.623 -18.584 -27.205 1.00 0.00 H new ATOM 0 HA TYR A 375 -9.943 -16.491 -28.047 1.00 0.00 H new ATOM 0 HB2 TYR A 375 -12.438 -17.838 -28.935 1.00 0.00 H new ATOM 0 HB3 TYR A 375 -12.254 -16.192 -29.507 1.00 0.00 H new ATOM 0 HD1 TYR A 375 -9.703 -18.893 -28.956 1.00 0.00 H new ATOM 0 HD2 TYR A 375 -11.607 -16.301 -31.752 1.00 0.00 H new ATOM 0 HE1 TYR A 375 -8.179 -19.675 -30.717 1.00 0.00 H new ATOM 0 HE2 TYR A 375 -10.084 -17.082 -33.514 1.00 0.00 H new ATOM 0 HH TYR A 375 -8.397 -18.405 -34.047 1.00 0.00 H new ATOM 287 N HIS A 376 -12.655 -15.597 -26.445 1.00 0.00 N ATOM 288 CA HIS A 376 -13.338 -14.470 -25.819 1.00 0.00 C ATOM 289 C HIS A 376 -12.541 -13.946 -24.629 1.00 0.00 C ATOM 290 O HIS A 376 -12.530 -12.745 -24.356 1.00 0.00 O ATOM 291 CB HIS A 376 -14.739 -14.882 -25.369 1.00 0.00 C ATOM 292 CG HIS A 376 -15.698 -13.736 -25.269 1.00 0.00 C ATOM 293 ND1 HIS A 376 -15.811 -12.762 -26.239 1.00 0.00 N ATOM 294 CD2 HIS A 376 -16.592 -13.410 -24.306 1.00 0.00 C ATOM 295 CE1 HIS A 376 -16.731 -11.887 -25.877 1.00 0.00 C ATOM 296 NE2 HIS A 376 -17.221 -12.258 -24.707 1.00 0.00 N ATOM 0 H HIS A 376 -13.043 -16.510 -26.208 1.00 0.00 H new ATOM 0 HA HIS A 376 -13.422 -13.672 -26.557 1.00 0.00 H new ATOM 0 HB2 HIS A 376 -15.135 -15.616 -26.070 1.00 0.00 H new ATOM 0 HB3 HIS A 376 -14.670 -15.373 -24.398 1.00 0.00 H new ATOM 0 HD2 HIS A 376 -16.776 -13.955 -23.392 1.00 0.00 H new ATOM 0 HE1 HIS A 376 -17.032 -11.016 -26.441 1.00 0.00 H new ATOM 0 HE2 HIS A 376 -17.948 -11.768 -24.187 1.00 0.00 H new ATOM 304 N LEU A 377 -11.877 -14.853 -23.922 1.00 0.00 N ATOM 305 CA LEU A 377 -11.078 -14.482 -22.759 1.00 0.00 C ATOM 306 C LEU A 377 -9.959 -13.522 -23.150 1.00 0.00 C ATOM 307 O LEU A 377 -9.605 -12.623 -22.389 1.00 0.00 O ATOM 308 CB LEU A 377 -10.487 -15.731 -22.102 1.00 0.00 C ATOM 309 CG LEU A 377 -9.514 -15.486 -20.948 1.00 0.00 C ATOM 310 CD1 LEU A 377 -10.265 -15.046 -19.701 1.00 0.00 C ATOM 311 CD2 LEU A 377 -8.696 -16.738 -20.666 1.00 0.00 C ATOM 0 H LEU A 377 -11.876 -15.851 -24.133 1.00 0.00 H new ATOM 0 HA LEU A 377 -11.731 -13.978 -22.047 1.00 0.00 H new ATOM 0 HB2 LEU A 377 -11.308 -16.347 -21.734 1.00 0.00 H new ATOM 0 HB3 LEU A 377 -9.972 -16.311 -22.868 1.00 0.00 H new ATOM 0 HG LEU A 377 -8.831 -14.687 -21.237 1.00 0.00 H new ATOM 0 HD11 LEU A 377 -9.556 -14.876 -18.890 1.00 0.00 H new ATOM 0 HD12 LEU A 377 -10.806 -14.123 -19.909 1.00 0.00 H new ATOM 0 HD13 LEU A 377 -10.971 -15.823 -19.409 1.00 0.00 H new ATOM 0 HD21 LEU A 377 -8.009 -16.546 -19.842 1.00 0.00 H new ATOM 0 HD22 LEU A 377 -9.364 -17.556 -20.398 1.00 0.00 H new ATOM 0 HD23 LEU A 377 -8.128 -17.010 -21.556 1.00 0.00 H new ATOM 323 N ASN A 378 -9.409 -13.719 -24.344 1.00 0.00 N ATOM 324 CA ASN A 378 -8.331 -12.869 -24.838 1.00 0.00 C ATOM 325 C ASN A 378 -8.747 -11.401 -24.827 1.00 0.00 C ATOM 326 O ASN A 378 -7.969 -10.528 -24.443 1.00 0.00 O ATOM 327 CB ASN A 378 -7.932 -13.287 -26.254 1.00 0.00 C ATOM 328 CG ASN A 378 -7.025 -12.272 -26.923 1.00 0.00 C ATOM 329 OD1 ASN A 378 -7.451 -11.530 -27.807 1.00 0.00 O ATOM 330 ND2 ASN A 378 -5.766 -12.236 -26.502 1.00 0.00 N ATOM 0 H ASN A 378 -9.692 -14.459 -24.987 1.00 0.00 H new ATOM 0 HA ASN A 378 -7.474 -12.990 -24.176 1.00 0.00 H new ATOM 0 HB2 ASN A 378 -7.427 -14.252 -26.216 1.00 0.00 H new ATOM 0 HB3 ASN A 378 -8.830 -13.421 -26.857 1.00 0.00 H new ATOM 0 HD21 ASN A 378 -5.109 -11.574 -26.915 1.00 0.00 H new ATOM 0 HD22 ASN A 378 -5.456 -12.870 -25.766 1.00 0.00 H new ATOM 337 N ARG A 379 -9.979 -11.138 -25.250 1.00 0.00 N ATOM 338 CA ARG A 379 -10.499 -9.777 -25.289 1.00 0.00 C ATOM 339 C ARG A 379 -10.655 -9.213 -23.880 1.00 0.00 C ATOM 340 O ARG A 379 -10.250 -8.083 -23.604 1.00 0.00 O ATOM 341 CB ARG A 379 -11.845 -9.743 -26.015 1.00 0.00 C ATOM 342 CG ARG A 379 -11.822 -10.425 -27.373 1.00 0.00 C ATOM 343 CD ARG A 379 -12.720 -9.710 -28.371 1.00 0.00 C ATOM 344 NE ARG A 379 -11.960 -8.851 -29.274 1.00 0.00 N ATOM 345 CZ ARG A 379 -11.239 -9.309 -30.291 1.00 0.00 C ATOM 346 NH1 ARG A 379 -11.181 -10.611 -30.534 1.00 0.00 N ATOM 347 NH2 ARG A 379 -10.574 -8.464 -31.069 1.00 0.00 N ATOM 0 H ARG A 379 -10.636 -11.850 -25.571 1.00 0.00 H new ATOM 0 HA ARG A 379 -9.785 -9.158 -25.832 1.00 0.00 H new ATOM 0 HB2 ARG A 379 -12.598 -10.223 -25.390 1.00 0.00 H new ATOM 0 HB3 ARG A 379 -12.152 -8.705 -26.144 1.00 0.00 H new ATOM 0 HG2 ARG A 379 -10.800 -10.448 -27.753 1.00 0.00 H new ATOM 0 HG3 ARG A 379 -12.146 -11.460 -27.267 1.00 0.00 H new ATOM 0 HD2 ARG A 379 -13.274 -10.447 -28.952 1.00 0.00 H new ATOM 0 HD3 ARG A 379 -13.454 -9.111 -27.833 1.00 0.00 H new ATOM 0 HE ARG A 379 -11.984 -7.844 -29.115 1.00 0.00 H new ATOM 0 HH11 ARG A 379 -11.691 -11.264 -29.939 1.00 0.00 H new ATOM 0 HH12 ARG A 379 -10.626 -10.960 -31.316 1.00 0.00 H new ATOM 0 HH21 ARG A 379 -10.616 -7.461 -30.886 1.00 0.00 H new ATOM 0 HH22 ARG A 379 -10.021 -8.817 -31.850 1.00 0.00 H new ATOM 361 N HIS A 380 -11.244 -10.007 -22.992 1.00 0.00 N ATOM 362 CA HIS A 380 -11.454 -9.587 -21.611 1.00 0.00 C ATOM 363 C HIS A 380 -10.123 -9.302 -20.922 1.00 0.00 C ATOM 364 O HIS A 380 -9.982 -8.311 -20.205 1.00 0.00 O ATOM 365 CB HIS A 380 -12.220 -10.662 -20.840 1.00 0.00 C ATOM 366 CG HIS A 380 -12.316 -10.391 -19.370 1.00 0.00 C ATOM 367 ND1 HIS A 380 -13.377 -9.723 -18.796 1.00 0.00 N ATOM 368 CD2 HIS A 380 -11.476 -10.703 -18.355 1.00 0.00 C ATOM 369 CE1 HIS A 380 -13.185 -9.635 -17.492 1.00 0.00 C ATOM 370 NE2 HIS A 380 -12.039 -10.222 -17.199 1.00 0.00 N ATOM 0 H HIS A 380 -11.584 -10.945 -23.204 1.00 0.00 H new ATOM 0 HA HIS A 380 -12.042 -8.669 -21.622 1.00 0.00 H new ATOM 0 HB2 HIS A 380 -13.226 -10.746 -21.252 1.00 0.00 H new ATOM 0 HB3 HIS A 380 -11.732 -11.624 -20.993 1.00 0.00 H new ATOM 0 HD2 HIS A 380 -10.538 -11.232 -18.439 1.00 0.00 H new ATOM 0 HE1 HIS A 380 -13.852 -9.163 -16.786 1.00 0.00 H new ATOM 0 HE2 HIS A 380 -11.637 -10.305 -16.265 1.00 0.00 H new ATOM 378 N LYS A 381 -9.147 -10.177 -21.144 1.00 0.00 N ATOM 379 CA LYS A 381 -7.827 -10.020 -20.546 1.00 0.00 C ATOM 380 C LYS A 381 -7.269 -8.626 -20.818 1.00 0.00 C ATOM 381 O LYS A 381 -6.516 -8.079 -20.011 1.00 0.00 O ATOM 382 CB LYS A 381 -6.868 -11.080 -21.091 1.00 0.00 C ATOM 383 CG LYS A 381 -7.023 -12.438 -20.429 1.00 0.00 C ATOM 384 CD LYS A 381 -6.196 -13.500 -21.135 1.00 0.00 C ATOM 385 CE LYS A 381 -5.697 -14.556 -20.160 1.00 0.00 C ATOM 386 NZ LYS A 381 -4.357 -15.078 -20.547 1.00 0.00 N ATOM 0 H LYS A 381 -9.246 -11.003 -21.734 1.00 0.00 H new ATOM 0 HA LYS A 381 -7.926 -10.149 -19.468 1.00 0.00 H new ATOM 0 HB2 LYS A 381 -7.030 -11.187 -22.164 1.00 0.00 H new ATOM 0 HB3 LYS A 381 -5.843 -10.734 -20.956 1.00 0.00 H new ATOM 0 HG2 LYS A 381 -6.717 -12.372 -19.385 1.00 0.00 H new ATOM 0 HG3 LYS A 381 -8.073 -12.729 -20.436 1.00 0.00 H new ATOM 0 HD2 LYS A 381 -6.797 -13.974 -21.911 1.00 0.00 H new ATOM 0 HD3 LYS A 381 -5.347 -13.031 -21.632 1.00 0.00 H new ATOM 0 HE2 LYS A 381 -5.645 -14.130 -19.158 1.00 0.00 H new ATOM 0 HE3 LYS A 381 -6.410 -15.379 -20.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 -4.052 -15.795 -19.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 -4.412 -15.507 -21.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 -3.671 -14.297 -20.561 1.00 0.00 H new ATOM 400 N LEU A 382 -7.643 -8.056 -21.958 1.00 0.00 N ATOM 401 CA LEU A 382 -7.180 -6.725 -22.336 1.00 0.00 C ATOM 402 C LEU A 382 -8.129 -5.651 -21.814 1.00 0.00 C ATOM 403 O LEU A 382 -7.727 -4.509 -21.592 1.00 0.00 O ATOM 404 CB LEU A 382 -7.059 -6.619 -23.857 1.00 0.00 C ATOM 405 CG LEU A 382 -6.274 -7.735 -24.547 1.00 0.00 C ATOM 406 CD1 LEU A 382 -6.922 -8.102 -25.873 1.00 0.00 C ATOM 407 CD2 LEU A 382 -4.826 -7.318 -24.757 1.00 0.00 C ATOM 0 H LEU A 382 -8.265 -8.494 -22.637 1.00 0.00 H new ATOM 0 HA LEU A 382 -6.199 -6.567 -21.888 1.00 0.00 H new ATOM 0 HB2 LEU A 382 -8.063 -6.593 -24.280 1.00 0.00 H new ATOM 0 HB3 LEU A 382 -6.587 -5.667 -24.098 1.00 0.00 H new ATOM 0 HG LEU A 382 -6.288 -8.614 -23.903 1.00 0.00 H new ATOM 0 HD11 LEU A 382 -6.350 -8.898 -26.350 1.00 0.00 H new ATOM 0 HD12 LEU A 382 -7.942 -8.444 -25.697 1.00 0.00 H new ATOM 0 HD13 LEU A 382 -6.939 -7.228 -26.524 1.00 0.00 H new ATOM 0 HD21 LEU A 382 -4.283 -8.125 -25.249 1.00 0.00 H new ATOM 0 HD22 LEU A 382 -4.791 -6.424 -25.380 1.00 0.00 H new ATOM 0 HD23 LEU A 382 -4.365 -7.106 -23.792 1.00 0.00 H new ATOM 480 N LYS A 388 -15.334 0.603 -16.540 1.00 0.00 N ATOM 481 CA LYS A 388 -16.294 0.053 -17.489 1.00 0.00 C ATOM 482 C LYS A 388 -17.475 1.000 -17.678 1.00 0.00 C ATOM 483 O LYS A 388 -17.750 1.862 -16.843 1.00 0.00 O ATOM 484 CB LYS A 388 -16.793 -1.312 -17.010 1.00 0.00 C ATOM 485 CG LYS A 388 -16.934 -1.412 -15.501 1.00 0.00 C ATOM 486 CD LYS A 388 -17.332 -2.814 -15.070 1.00 0.00 C ATOM 487 CE LYS A 388 -16.289 -3.432 -14.151 1.00 0.00 C ATOM 488 NZ LYS A 388 -16.915 -4.196 -13.037 1.00 0.00 N ATOM 0 HA LYS A 388 -15.790 -0.068 -18.448 1.00 0.00 H new ATOM 0 HB2 LYS A 388 -17.759 -1.519 -17.471 1.00 0.00 H new ATOM 0 HB3 LYS A 388 -16.104 -2.083 -17.354 1.00 0.00 H new ATOM 0 HG2 LYS A 388 -15.991 -1.139 -15.028 1.00 0.00 H new ATOM 0 HG3 LYS A 388 -17.682 -0.698 -15.156 1.00 0.00 H new ATOM 0 HD2 LYS A 388 -18.294 -2.779 -14.559 1.00 0.00 H new ATOM 0 HD3 LYS A 388 -17.461 -3.443 -15.950 1.00 0.00 H new ATOM 0 HE2 LYS A 388 -15.643 -4.094 -14.728 1.00 0.00 H new ATOM 0 HE3 LYS A 388 -15.655 -2.646 -13.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 -16.172 -4.601 -12.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 -17.511 -3.559 -12.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 -17.500 -4.962 -13.427 1.00 0.00 H new ATOM 502 N PRO A 389 -18.192 0.837 -18.800 1.00 0.00 N ATOM 503 CA PRO A 389 -17.874 -0.185 -19.801 1.00 0.00 C ATOM 504 C PRO A 389 -16.583 0.122 -20.554 1.00 0.00 C ATOM 505 O PRO A 389 -15.713 -0.738 -20.690 1.00 0.00 O ATOM 506 CB PRO A 389 -19.072 -0.135 -20.753 1.00 0.00 C ATOM 507 CG PRO A 389 -19.613 1.245 -20.608 1.00 0.00 C ATOM 508 CD PRO A 389 -19.368 1.639 -19.178 1.00 0.00 C ATOM 0 HA PRO A 389 -17.713 -1.163 -19.347 1.00 0.00 H new ATOM 0 HB2 PRO A 389 -18.770 -0.336 -21.781 1.00 0.00 H new ATOM 0 HB3 PRO A 389 -19.819 -0.883 -20.489 1.00 0.00 H new ATOM 0 HG2 PRO A 389 -19.116 1.933 -21.293 1.00 0.00 H new ATOM 0 HG3 PRO A 389 -20.677 1.274 -20.844 1.00 0.00 H new ATOM 0 HD2 PRO A 389 -19.173 2.707 -19.083 1.00 0.00 H new ATOM 0 HD3 PRO A 389 -20.227 1.414 -18.546 1.00 0.00 H new ATOM 516 N TYR A 390 -16.466 1.353 -21.039 1.00 0.00 N ATOM 517 CA TYR A 390 -15.282 1.773 -21.780 1.00 0.00 C ATOM 518 C TYR A 390 -14.644 3.000 -21.136 1.00 0.00 C ATOM 519 O TYR A 390 -15.099 4.126 -21.333 1.00 0.00 O ATOM 520 CB TYR A 390 -15.646 2.077 -23.234 1.00 0.00 C ATOM 521 CG TYR A 390 -16.563 1.050 -23.857 1.00 0.00 C ATOM 522 CD1 TYR A 390 -17.944 1.166 -23.749 1.00 0.00 C ATOM 523 CD2 TYR A 390 -16.050 -0.037 -24.554 1.00 0.00 C ATOM 524 CE1 TYR A 390 -18.785 0.229 -24.316 1.00 0.00 C ATOM 525 CE2 TYR A 390 -16.884 -0.978 -25.125 1.00 0.00 C ATOM 526 CZ TYR A 390 -18.251 -0.841 -25.003 1.00 0.00 C ATOM 527 OH TYR A 390 -19.087 -1.776 -25.570 1.00 0.00 O ATOM 0 H TYR A 390 -17.176 2.077 -20.933 1.00 0.00 H new ATOM 0 HA TYR A 390 -14.561 0.956 -21.757 1.00 0.00 H new ATOM 0 HB2 TYR A 390 -16.124 3.055 -23.283 1.00 0.00 H new ATOM 0 HB3 TYR A 390 -14.731 2.139 -23.823 1.00 0.00 H new ATOM 0 HD1 TYR A 390 -18.366 2.003 -23.213 1.00 0.00 H new ATOM 0 HD2 TYR A 390 -14.980 -0.148 -24.651 1.00 0.00 H new ATOM 0 HE1 TYR A 390 -19.856 0.334 -24.222 1.00 0.00 H new ATOM 0 HE2 TYR A 390 -16.468 -1.816 -25.664 1.00 0.00 H new ATOM 0 HH TYR A 390 -18.552 -2.464 -26.018 1.00 0.00 H new ATOM 537 N SER A 391 -13.585 2.772 -20.365 1.00 0.00 N ATOM 538 CA SER A 391 -12.884 3.857 -19.688 1.00 0.00 C ATOM 539 C SER A 391 -11.480 4.035 -20.258 1.00 0.00 C ATOM 540 O SER A 391 -10.915 3.114 -20.847 1.00 0.00 O ATOM 541 CB SER A 391 -12.806 3.583 -18.185 1.00 0.00 C ATOM 542 OG SER A 391 -11.527 3.914 -17.672 1.00 0.00 O ATOM 0 H SER A 391 -13.194 1.846 -20.194 1.00 0.00 H new ATOM 0 HA SER A 391 -13.444 4.777 -19.853 1.00 0.00 H new ATOM 0 HB2 SER A 391 -13.570 4.162 -17.666 1.00 0.00 H new ATOM 0 HB3 SER A 391 -13.017 2.531 -17.992 1.00 0.00 H new ATOM 0 HG SER A 391 -11.466 4.884 -17.546 1.00 0.00 H new ATOM 548 N CYS A 392 -10.922 5.228 -20.078 1.00 0.00 N ATOM 549 CA CYS A 392 -9.585 5.530 -20.573 1.00 0.00 C ATOM 550 C CYS A 392 -8.520 5.062 -19.585 1.00 0.00 C ATOM 551 O CYS A 392 -8.571 5.360 -18.392 1.00 0.00 O ATOM 552 CB CYS A 392 -9.439 7.032 -20.824 1.00 0.00 C ATOM 553 SG CYS A 392 -7.945 7.487 -21.763 1.00 0.00 S ATOM 0 H CYS A 392 -11.376 6.002 -19.592 1.00 0.00 H new ATOM 0 HA CYS A 392 -9.443 4.996 -21.512 1.00 0.00 H new ATOM 0 HB2 CYS A 392 -10.317 7.386 -21.364 1.00 0.00 H new ATOM 0 HB3 CYS A 392 -9.424 7.550 -19.865 1.00 0.00 H new ATOM 0 HG CYS A 392 -8.073 8.696 -22.223 1.00 0.00 H new ATOM 558 N PRO A 393 -7.532 4.310 -20.092 1.00 0.00 N ATOM 559 CA PRO A 393 -6.436 3.786 -19.272 1.00 0.00 C ATOM 560 C PRO A 393 -5.490 4.884 -18.798 1.00 0.00 C ATOM 561 O PRO A 393 -4.809 4.734 -17.783 1.00 0.00 O ATOM 562 CB PRO A 393 -5.710 2.828 -20.221 1.00 0.00 C ATOM 563 CG PRO A 393 -6.022 3.339 -21.586 1.00 0.00 C ATOM 564 CD PRO A 393 -7.408 3.916 -21.505 1.00 0.00 C ATOM 0 HA PRO A 393 -6.800 3.312 -18.361 1.00 0.00 H new ATOM 0 HB2 PRO A 393 -4.636 2.825 -20.035 1.00 0.00 H new ATOM 0 HB3 PRO A 393 -6.059 1.803 -20.092 1.00 0.00 H new ATOM 0 HG2 PRO A 393 -5.301 4.097 -21.893 1.00 0.00 H new ATOM 0 HG3 PRO A 393 -5.975 2.537 -22.323 1.00 0.00 H new ATOM 0 HD2 PRO A 393 -7.527 4.770 -22.172 1.00 0.00 H new ATOM 0 HD3 PRO A 393 -8.165 3.184 -21.786 1.00 0.00 H new ATOM 572 N VAL A 394 -5.453 5.987 -19.538 1.00 0.00 N ATOM 573 CA VAL A 394 -4.592 7.111 -19.191 1.00 0.00 C ATOM 574 C VAL A 394 -5.280 8.047 -18.203 1.00 0.00 C ATOM 575 O VAL A 394 -4.841 8.194 -17.062 1.00 0.00 O ATOM 576 CB VAL A 394 -4.184 7.913 -20.442 1.00 0.00 C ATOM 577 CG1 VAL A 394 -3.227 9.035 -20.069 1.00 0.00 C ATOM 578 CG2 VAL A 394 -3.563 6.995 -21.483 1.00 0.00 C ATOM 0 H VAL A 394 -6.009 6.126 -20.382 1.00 0.00 H new ATOM 0 HA VAL A 394 -3.698 6.693 -18.728 1.00 0.00 H new ATOM 0 HB VAL A 394 -5.079 8.361 -20.873 1.00 0.00 H new ATOM 0 HG11 VAL A 394 -2.950 9.590 -20.965 1.00 0.00 H new ATOM 0 HG12 VAL A 394 -3.712 9.707 -19.361 1.00 0.00 H new ATOM 0 HG13 VAL A 394 -2.332 8.613 -19.613 1.00 0.00 H new ATOM 0 HG21 VAL A 394 -3.281 7.578 -22.360 1.00 0.00 H new ATOM 0 HG22 VAL A 394 -2.677 6.517 -21.064 1.00 0.00 H new ATOM 0 HG23 VAL A 394 -4.285 6.231 -21.772 1.00 0.00 H new ATOM 588 N CYS A 395 -6.361 8.678 -18.649 1.00 0.00 N ATOM 589 CA CYS A 395 -7.111 9.600 -17.806 1.00 0.00 C ATOM 590 C CYS A 395 -7.834 8.851 -16.690 1.00 0.00 C ATOM 591 O CYS A 395 -7.484 8.974 -15.517 1.00 0.00 O ATOM 592 CB CYS A 395 -8.121 10.385 -18.645 1.00 0.00 C ATOM 593 SG CYS A 395 -7.431 11.082 -20.179 1.00 0.00 S ATOM 0 H CYS A 395 -6.737 8.567 -19.591 1.00 0.00 H new ATOM 0 HA CYS A 395 -6.404 10.296 -17.354 1.00 0.00 H new ATOM 0 HB2 CYS A 395 -8.954 9.729 -18.899 1.00 0.00 H new ATOM 0 HB3 CYS A 395 -8.527 11.196 -18.040 1.00 0.00 H new ATOM 0 HG CYS A 395 -8.285 10.931 -21.147 1.00 0.00 H new ATOM 598 N GLY A 396 -8.845 8.073 -17.064 1.00 0.00 N ATOM 599 CA GLY A 396 -9.601 7.315 -16.084 1.00 0.00 C ATOM 600 C GLY A 396 -11.097 7.499 -16.238 1.00 0.00 C ATOM 601 O GLY A 396 -11.885 6.775 -15.628 1.00 0.00 O ATOM 0 H GLY A 396 -9.154 7.954 -18.029 1.00 0.00 H new ATOM 0 HA2 GLY A 396 -9.356 6.257 -16.180 1.00 0.00 H new ATOM 0 HA3 GLY A 396 -9.301 7.622 -15.082 1.00 0.00 H new ATOM 605 N LEU A 397 -11.492 8.471 -17.053 1.00 0.00 N ATOM 606 CA LEU A 397 -12.905 8.750 -17.284 1.00 0.00 C ATOM 607 C LEU A 397 -13.651 7.482 -17.687 1.00 0.00 C ATOM 608 O LEU A 397 -13.038 6.466 -18.013 1.00 0.00 O ATOM 609 CB LEU A 397 -13.064 9.816 -18.369 1.00 0.00 C ATOM 610 CG LEU A 397 -13.405 11.225 -17.882 1.00 0.00 C ATOM 611 CD1 LEU A 397 -12.443 12.242 -18.476 1.00 0.00 C ATOM 612 CD2 LEU A 397 -14.843 11.578 -18.234 1.00 0.00 C ATOM 0 H LEU A 397 -10.853 9.079 -17.565 1.00 0.00 H new ATOM 0 HA LEU A 397 -13.334 9.122 -16.353 1.00 0.00 H new ATOM 0 HB2 LEU A 397 -12.137 9.865 -18.940 1.00 0.00 H new ATOM 0 HB3 LEU A 397 -13.845 9.492 -19.057 1.00 0.00 H new ATOM 0 HG LEU A 397 -13.302 11.249 -16.797 1.00 0.00 H new ATOM 0 HD11 LEU A 397 -12.701 13.239 -18.118 1.00 0.00 H new ATOM 0 HD12 LEU A 397 -11.424 12.000 -18.173 1.00 0.00 H new ATOM 0 HD13 LEU A 397 -12.513 12.217 -19.563 1.00 0.00 H new ATOM 0 HD21 LEU A 397 -15.068 12.584 -17.880 1.00 0.00 H new ATOM 0 HD22 LEU A 397 -14.974 11.536 -19.315 1.00 0.00 H new ATOM 0 HD23 LEU A 397 -15.519 10.867 -17.759 1.00 0.00 H new ATOM 624 N ARG A 398 -14.979 7.551 -17.664 1.00 0.00 N ATOM 625 CA ARG A 398 -15.809 6.409 -18.028 1.00 0.00 C ATOM 626 C ARG A 398 -16.793 6.783 -19.132 1.00 0.00 C ATOM 627 O ARG A 398 -17.612 7.688 -18.968 1.00 0.00 O ATOM 628 CB ARG A 398 -16.569 5.893 -16.805 1.00 0.00 C ATOM 629 CG ARG A 398 -15.682 5.201 -15.783 1.00 0.00 C ATOM 630 CD ARG A 398 -15.357 6.119 -14.615 1.00 0.00 C ATOM 631 NE ARG A 398 -15.791 5.555 -13.339 1.00 0.00 N ATOM 632 CZ ARG A 398 -17.039 5.626 -12.892 1.00 0.00 C ATOM 633 NH1 ARG A 398 -17.973 6.232 -13.613 1.00 0.00 N ATOM 634 NH2 ARG A 398 -17.357 5.089 -11.721 1.00 0.00 N ATOM 0 H ARG A 398 -15.502 8.385 -17.397 1.00 0.00 H new ATOM 0 HA ARG A 398 -15.155 5.620 -18.400 1.00 0.00 H new ATOM 0 HB2 ARG A 398 -17.078 6.729 -16.325 1.00 0.00 H new ATOM 0 HB3 ARG A 398 -17.340 5.197 -17.134 1.00 0.00 H new ATOM 0 HG2 ARG A 398 -16.181 4.304 -15.415 1.00 0.00 H new ATOM 0 HG3 ARG A 398 -14.757 4.878 -16.261 1.00 0.00 H new ATOM 0 HD2 ARG A 398 -14.283 6.301 -14.585 1.00 0.00 H new ATOM 0 HD3 ARG A 398 -15.839 7.085 -14.768 1.00 0.00 H new ATOM 0 HE ARG A 398 -15.098 5.081 -12.760 1.00 0.00 H new ATOM 0 HH11 ARG A 398 -17.733 6.645 -14.514 1.00 0.00 H new ATOM 0 HH12 ARG A 398 -18.931 6.285 -13.266 1.00 0.00 H new ATOM 0 HH21 ARG A 398 -16.642 4.621 -11.164 1.00 0.00 H new ATOM 0 HH22 ARG A 398 -18.316 5.144 -11.378 1.00 0.00 H new ATOM 648 N PHE A 399 -16.708 6.080 -20.257 1.00 0.00 N ATOM 649 CA PHE A 399 -17.590 6.339 -21.389 1.00 0.00 C ATOM 650 C PHE A 399 -18.572 5.188 -21.587 1.00 0.00 C ATOM 651 O PHE A 399 -18.199 4.017 -21.508 1.00 0.00 O ATOM 652 CB PHE A 399 -16.770 6.551 -22.663 1.00 0.00 C ATOM 653 CG PHE A 399 -15.696 7.590 -22.520 1.00 0.00 C ATOM 654 CD1 PHE A 399 -14.455 7.256 -22.002 1.00 0.00 C ATOM 655 CD2 PHE A 399 -15.927 8.902 -22.902 1.00 0.00 C ATOM 656 CE1 PHE A 399 -13.464 8.210 -21.868 1.00 0.00 C ATOM 657 CE2 PHE A 399 -14.940 9.860 -22.771 1.00 0.00 C ATOM 658 CZ PHE A 399 -13.707 9.514 -22.253 1.00 0.00 C ATOM 0 H PHE A 399 -16.037 5.327 -20.409 1.00 0.00 H new ATOM 0 HA PHE A 399 -18.158 7.245 -21.176 1.00 0.00 H new ATOM 0 HB2 PHE A 399 -16.313 5.605 -22.952 1.00 0.00 H new ATOM 0 HB3 PHE A 399 -17.440 6.842 -23.472 1.00 0.00 H new ATOM 0 HD1 PHE A 399 -14.260 6.238 -21.699 1.00 0.00 H new ATOM 0 HD2 PHE A 399 -16.889 9.179 -23.307 1.00 0.00 H new ATOM 0 HE1 PHE A 399 -12.501 7.936 -21.463 1.00 0.00 H new ATOM 0 HE2 PHE A 399 -15.132 10.879 -23.073 1.00 0.00 H new ATOM 0 HZ PHE A 399 -12.935 10.262 -22.149 1.00 0.00 H new ATOM 668 N LYS A 400 -19.830 5.530 -21.845 1.00 0.00 N ATOM 669 CA LYS A 400 -20.868 4.527 -22.056 1.00 0.00 C ATOM 670 C LYS A 400 -21.063 4.250 -23.543 1.00 0.00 C ATOM 671 O LYS A 400 -22.130 3.806 -23.967 1.00 0.00 O ATOM 672 CB LYS A 400 -22.187 4.991 -21.435 1.00 0.00 C ATOM 673 CG LYS A 400 -22.827 3.958 -20.523 1.00 0.00 C ATOM 674 CD LYS A 400 -23.872 3.136 -21.258 1.00 0.00 C ATOM 675 CE LYS A 400 -24.046 1.763 -20.627 1.00 0.00 C ATOM 676 NZ LYS A 400 -23.345 0.703 -21.404 1.00 0.00 N ATOM 0 H LYS A 400 -20.156 6.494 -21.913 1.00 0.00 H new ATOM 0 HA LYS A 400 -20.550 3.604 -21.572 1.00 0.00 H new ATOM 0 HB2 LYS A 400 -22.010 5.905 -20.867 1.00 0.00 H new ATOM 0 HB3 LYS A 400 -22.886 5.242 -22.233 1.00 0.00 H new ATOM 0 HG2 LYS A 400 -22.057 3.297 -20.124 1.00 0.00 H new ATOM 0 HG3 LYS A 400 -23.289 4.459 -19.672 1.00 0.00 H new ATOM 0 HD2 LYS A 400 -24.825 3.665 -21.249 1.00 0.00 H new ATOM 0 HD3 LYS A 400 -23.580 3.023 -22.302 1.00 0.00 H new ATOM 0 HE2 LYS A 400 -23.661 1.780 -19.607 1.00 0.00 H new ATOM 0 HE3 LYS A 400 -25.108 1.524 -20.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 400 -22.983 -0.023 -20.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 400 -24.010 0.266 -22.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 400 -22.552 1.124 -21.929 1.00 0.00 H new ATOM 690 N ARG A 401 -20.025 4.514 -24.331 1.00 0.00 N ATOM 691 CA ARG A 401 -20.082 4.292 -25.770 1.00 0.00 C ATOM 692 C ARG A 401 -18.693 4.007 -26.333 1.00 0.00 C ATOM 693 O ARG A 401 -17.684 4.441 -25.775 1.00 0.00 O ATOM 694 CB ARG A 401 -20.688 5.510 -26.471 1.00 0.00 C ATOM 695 CG ARG A 401 -20.151 6.837 -25.960 1.00 0.00 C ATOM 696 CD ARG A 401 -21.148 7.524 -25.040 1.00 0.00 C ATOM 697 NE ARG A 401 -21.725 8.718 -25.653 1.00 0.00 N ATOM 698 CZ ARG A 401 -22.604 9.505 -25.043 1.00 0.00 C ATOM 699 NH1 ARG A 401 -23.005 9.227 -23.811 1.00 0.00 N ATOM 700 NH2 ARG A 401 -23.083 10.574 -25.667 1.00 0.00 N ATOM 0 H ARG A 401 -19.135 4.882 -23.996 1.00 0.00 H new ATOM 0 HA ARG A 401 -20.714 3.423 -25.953 1.00 0.00 H new ATOM 0 HB2 ARG A 401 -20.493 5.437 -27.541 1.00 0.00 H new ATOM 0 HB3 ARG A 401 -21.770 5.492 -26.342 1.00 0.00 H new ATOM 0 HG2 ARG A 401 -19.216 6.671 -25.426 1.00 0.00 H new ATOM 0 HG3 ARG A 401 -19.924 7.488 -26.804 1.00 0.00 H new ATOM 0 HD2 ARG A 401 -21.945 6.826 -24.784 1.00 0.00 H new ATOM 0 HD3 ARG A 401 -20.653 7.798 -24.108 1.00 0.00 H new ATOM 0 HE ARG A 401 -21.437 8.960 -26.601 1.00 0.00 H new ATOM 0 HH11 ARG A 401 -22.638 8.407 -23.328 1.00 0.00 H new ATOM 0 HH12 ARG A 401 -23.680 9.833 -23.345 1.00 0.00 H new ATOM 0 HH21 ARG A 401 -22.776 10.791 -26.615 1.00 0.00 H new ATOM 0 HH22 ARG A 401 -23.758 11.178 -25.198 1.00 0.00 H new ATOM 714 N LYS A 402 -18.647 3.274 -27.440 1.00 0.00 N ATOM 715 CA LYS A 402 -17.383 2.931 -28.080 1.00 0.00 C ATOM 716 C LYS A 402 -16.978 3.997 -29.092 1.00 0.00 C ATOM 717 O LYS A 402 -15.813 4.088 -29.481 1.00 0.00 O ATOM 718 CB LYS A 402 -17.490 1.570 -28.771 1.00 0.00 C ATOM 719 CG LYS A 402 -16.149 0.891 -28.990 1.00 0.00 C ATOM 720 CD LYS A 402 -16.190 -0.571 -28.578 1.00 0.00 C ATOM 721 CE LYS A 402 -14.832 -1.051 -28.091 1.00 0.00 C ATOM 722 NZ LYS A 402 -13.794 -0.952 -29.154 1.00 0.00 N ATOM 0 H LYS A 402 -19.472 2.906 -27.913 1.00 0.00 H new ATOM 0 HA LYS A 402 -16.616 2.880 -27.307 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -18.125 0.917 -28.172 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -17.984 1.699 -29.734 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -15.870 0.966 -30.041 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -15.380 1.410 -28.418 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.930 -0.707 -27.789 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -16.510 -1.180 -29.424 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -14.526 -0.459 -27.228 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -14.911 -2.085 -27.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -12.909 -1.382 -28.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -14.120 -1.453 -30.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -13.627 0.048 -29.384 1.00 0.00 H new ATOM 736 N ASP A 403 -17.946 4.803 -29.515 1.00 0.00 N ATOM 737 CA ASP A 403 -17.690 5.865 -30.481 1.00 0.00 C ATOM 738 C ASP A 403 -16.944 7.024 -29.828 1.00 0.00 C ATOM 739 O ASP A 403 -16.240 7.778 -30.500 1.00 0.00 O ATOM 740 CB ASP A 403 -19.004 6.362 -31.085 1.00 0.00 C ATOM 741 CG ASP A 403 -19.704 7.372 -30.196 1.00 0.00 C ATOM 742 OD1 ASP A 403 -19.419 8.581 -30.333 1.00 0.00 O ATOM 743 OD2 ASP A 403 -20.536 6.954 -29.364 1.00 0.00 O ATOM 0 H ASP A 403 -18.915 4.741 -29.204 1.00 0.00 H new ATOM 0 HA ASP A 403 -17.066 5.457 -31.276 1.00 0.00 H new ATOM 0 HB2 ASP A 403 -18.806 6.814 -32.057 1.00 0.00 H new ATOM 0 HB3 ASP A 403 -19.666 5.513 -31.257 1.00 0.00 H new ATOM 748 N ARG A 404 -17.105 7.162 -28.516 1.00 0.00 N ATOM 749 CA ARG A 404 -16.449 8.231 -27.774 1.00 0.00 C ATOM 750 C ARG A 404 -15.065 7.795 -27.303 1.00 0.00 C ATOM 751 O ARG A 404 -14.058 8.411 -27.652 1.00 0.00 O ATOM 752 CB ARG A 404 -17.302 8.643 -26.572 1.00 0.00 C ATOM 753 CG ARG A 404 -18.436 9.590 -26.927 1.00 0.00 C ATOM 754 CD ARG A 404 -17.913 10.957 -27.340 1.00 0.00 C ATOM 755 NE ARG A 404 -18.752 12.040 -26.834 1.00 0.00 N ATOM 756 CZ ARG A 404 -19.972 12.300 -27.292 1.00 0.00 C ATOM 757 NH1 ARG A 404 -20.492 11.558 -28.260 1.00 0.00 N ATOM 758 NH2 ARG A 404 -20.674 13.303 -26.781 1.00 0.00 N ATOM 0 H ARG A 404 -17.684 6.546 -27.945 1.00 0.00 H new ATOM 0 HA ARG A 404 -16.335 9.086 -28.441 1.00 0.00 H new ATOM 0 HB2 ARG A 404 -17.718 7.748 -26.109 1.00 0.00 H new ATOM 0 HB3 ARG A 404 -16.662 9.118 -25.829 1.00 0.00 H new ATOM 0 HG2 ARG A 404 -19.026 9.165 -27.739 1.00 0.00 H new ATOM 0 HG3 ARG A 404 -19.103 9.698 -26.071 1.00 0.00 H new ATOM 0 HD2 ARG A 404 -16.896 11.083 -26.969 1.00 0.00 H new ATOM 0 HD3 ARG A 404 -17.865 11.013 -28.427 1.00 0.00 H new ATOM 0 HE ARG A 404 -18.381 12.629 -26.088 1.00 0.00 H new ATOM 0 HH11 ARG A 404 -19.955 10.786 -28.655 1.00 0.00 H new ATOM 0 HH12 ARG A 404 -21.429 11.760 -28.610 1.00 0.00 H new ATOM 0 HH21 ARG A 404 -20.277 13.876 -26.036 1.00 0.00 H new ATOM 0 HH22 ARG A 404 -21.610 13.502 -27.133 1.00 0.00 H new ATOM 772 N MET A 405 -15.023 6.730 -26.509 1.00 0.00 N ATOM 773 CA MET A 405 -13.762 6.213 -25.991 1.00 0.00 C ATOM 774 C MET A 405 -12.759 5.996 -27.120 1.00 0.00 C ATOM 775 O MET A 405 -11.554 6.169 -26.934 1.00 0.00 O ATOM 776 CB MET A 405 -13.994 4.900 -25.241 1.00 0.00 C ATOM 777 CG MET A 405 -14.502 3.775 -26.128 1.00 0.00 C ATOM 778 SD MET A 405 -13.171 2.744 -26.774 1.00 0.00 S ATOM 779 CE MET A 405 -12.537 2.023 -25.262 1.00 0.00 C ATOM 0 H MET A 405 -15.847 6.209 -26.211 1.00 0.00 H new ATOM 0 HA MET A 405 -13.352 6.950 -25.301 1.00 0.00 H new ATOM 0 HB2 MET A 405 -13.060 4.589 -24.773 1.00 0.00 H new ATOM 0 HB3 MET A 405 -14.712 5.071 -24.439 1.00 0.00 H new ATOM 0 HG2 MET A 405 -15.194 3.154 -25.560 1.00 0.00 H new ATOM 0 HG3 MET A 405 -15.064 4.199 -26.960 1.00 0.00 H new ATOM 0 HE1 MET A 405 -11.454 1.918 -25.335 1.00 0.00 H new ATOM 0 HE2 MET A 405 -12.783 2.669 -24.420 1.00 0.00 H new ATOM 0 HE3 MET A 405 -12.987 1.042 -25.110 1.00 0.00 H new ATOM 789 N SER A 406 -13.264 5.616 -28.289 1.00 0.00 N ATOM 790 CA SER A 406 -12.411 5.371 -29.447 1.00 0.00 C ATOM 791 C SER A 406 -11.726 6.658 -29.898 1.00 0.00 C ATOM 792 O SER A 406 -10.578 6.640 -30.343 1.00 0.00 O ATOM 793 CB SER A 406 -13.232 4.787 -30.597 1.00 0.00 C ATOM 794 OG SER A 406 -12.567 4.958 -31.837 1.00 0.00 O ATOM 0 H SER A 406 -14.259 5.471 -28.460 1.00 0.00 H new ATOM 0 HA SER A 406 -11.644 4.653 -29.157 1.00 0.00 H new ATOM 0 HB2 SER A 406 -13.409 3.726 -30.419 1.00 0.00 H new ATOM 0 HB3 SER A 406 -14.208 5.272 -30.634 1.00 0.00 H new ATOM 0 HG SER A 406 -13.112 4.575 -32.556 1.00 0.00 H new ATOM 800 N TYR A 407 -12.439 7.773 -29.780 1.00 0.00 N ATOM 801 CA TYR A 407 -11.902 9.069 -30.178 1.00 0.00 C ATOM 802 C TYR A 407 -11.156 9.727 -29.022 1.00 0.00 C ATOM 803 O TYR A 407 -10.327 10.614 -29.228 1.00 0.00 O ATOM 804 CB TYR A 407 -13.029 9.984 -30.661 1.00 0.00 C ATOM 805 CG TYR A 407 -13.378 9.797 -32.120 1.00 0.00 C ATOM 806 CD1 TYR A 407 -12.396 9.844 -33.101 1.00 0.00 C ATOM 807 CD2 TYR A 407 -14.690 9.573 -32.517 1.00 0.00 C ATOM 808 CE1 TYR A 407 -12.710 9.675 -34.436 1.00 0.00 C ATOM 809 CE2 TYR A 407 -15.014 9.401 -33.849 1.00 0.00 C ATOM 810 CZ TYR A 407 -14.021 9.453 -34.804 1.00 0.00 C ATOM 811 OH TYR A 407 -14.338 9.283 -36.132 1.00 0.00 O ATOM 0 H TYR A 407 -13.390 7.805 -29.412 1.00 0.00 H new ATOM 0 HA TYR A 407 -11.199 8.908 -30.995 1.00 0.00 H new ATOM 0 HB2 TYR A 407 -13.918 9.801 -30.057 1.00 0.00 H new ATOM 0 HB3 TYR A 407 -12.739 11.022 -30.496 1.00 0.00 H new ATOM 0 HD1 TYR A 407 -11.369 10.016 -32.815 1.00 0.00 H new ATOM 0 HD2 TYR A 407 -15.470 9.533 -31.772 1.00 0.00 H new ATOM 0 HE1 TYR A 407 -11.934 9.716 -35.186 1.00 0.00 H new ATOM 0 HE2 TYR A 407 -16.039 9.227 -34.140 1.00 0.00 H new ATOM 0 HH TYR A 407 -15.303 9.136 -36.222 1.00 0.00 H new ATOM 821 N HIS A 408 -11.456 9.286 -27.805 1.00 0.00 N ATOM 822 CA HIS A 408 -10.814 9.831 -26.614 1.00 0.00 C ATOM 823 C HIS A 408 -9.453 9.181 -26.385 1.00 0.00 C ATOM 824 O HIS A 408 -8.462 9.864 -26.129 1.00 0.00 O ATOM 825 CB HIS A 408 -11.704 9.623 -25.388 1.00 0.00 C ATOM 826 CG HIS A 408 -11.101 10.137 -24.117 1.00 0.00 C ATOM 827 ND1 HIS A 408 -11.141 11.465 -23.747 1.00 0.00 N ATOM 828 CD2 HIS A 408 -10.443 9.492 -23.125 1.00 0.00 C ATOM 829 CE1 HIS A 408 -10.532 11.615 -22.585 1.00 0.00 C ATOM 830 NE2 HIS A 408 -10.099 10.432 -22.186 1.00 0.00 N ATOM 0 H HIS A 408 -12.140 8.553 -27.617 1.00 0.00 H new ATOM 0 HA HIS A 408 -10.666 10.900 -26.769 1.00 0.00 H new ATOM 0 HB2 HIS A 408 -12.660 10.120 -25.554 1.00 0.00 H new ATOM 0 HB3 HIS A 408 -11.913 8.559 -25.277 1.00 0.00 H new ATOM 0 HD1 HIS A 408 -11.574 12.215 -24.287 1.00 0.00 H new ATOM 0 HD2 HIS A 408 -10.229 8.434 -23.081 1.00 0.00 H new ATOM 0 HE1 HIS A 408 -10.409 12.546 -22.052 1.00 0.00 H new ATOM 838 N VAL A 409 -9.412 7.855 -26.479 1.00 0.00 N ATOM 839 CA VAL A 409 -8.173 7.112 -26.283 1.00 0.00 C ATOM 840 C VAL A 409 -7.137 7.483 -27.338 1.00 0.00 C ATOM 841 O VAL A 409 -6.006 7.844 -27.012 1.00 0.00 O ATOM 842 CB VAL A 409 -8.417 5.592 -26.330 1.00 0.00 C ATOM 843 CG1 VAL A 409 -7.106 4.836 -26.175 1.00 0.00 C ATOM 844 CG2 VAL A 409 -9.411 5.178 -25.255 1.00 0.00 C ATOM 0 H VAL A 409 -10.223 7.274 -26.690 1.00 0.00 H new ATOM 0 HA VAL A 409 -7.795 7.381 -25.297 1.00 0.00 H new ATOM 0 HB VAL A 409 -8.842 5.340 -27.302 1.00 0.00 H new ATOM 0 HG11 VAL A 409 -7.298 3.764 -26.211 1.00 0.00 H new ATOM 0 HG12 VAL A 409 -6.430 5.111 -26.985 1.00 0.00 H new ATOM 0 HG13 VAL A 409 -6.650 5.091 -25.219 1.00 0.00 H new ATOM 0 HG21 VAL A 409 -9.571 4.101 -25.303 1.00 0.00 H new ATOM 0 HG22 VAL A 409 -9.017 5.443 -24.274 1.00 0.00 H new ATOM 0 HG23 VAL A 409 -10.358 5.693 -25.417 1.00 0.00 H new ATOM 854 N ARG A 410 -7.531 7.392 -28.604 1.00 0.00 N ATOM 855 CA ARG A 410 -6.636 7.717 -29.708 1.00 0.00 C ATOM 856 C ARG A 410 -6.224 9.185 -29.659 1.00 0.00 C ATOM 857 O ARG A 410 -5.120 9.545 -30.068 1.00 0.00 O ATOM 858 CB ARG A 410 -7.310 7.410 -31.046 1.00 0.00 C ATOM 859 CG ARG A 410 -7.865 5.998 -31.138 1.00 0.00 C ATOM 860 CD ARG A 410 -6.758 4.976 -31.345 1.00 0.00 C ATOM 861 NE ARG A 410 -7.070 3.697 -30.713 1.00 0.00 N ATOM 862 CZ ARG A 410 -8.030 2.882 -31.137 1.00 0.00 C ATOM 863 NH1 ARG A 410 -8.768 3.212 -32.188 1.00 0.00 N ATOM 864 NH2 ARG A 410 -8.253 1.735 -30.509 1.00 0.00 N ATOM 0 H ARG A 410 -8.464 7.096 -28.891 1.00 0.00 H new ATOM 0 HA ARG A 410 -5.741 7.103 -29.610 1.00 0.00 H new ATOM 0 HB2 ARG A 410 -8.120 8.121 -31.207 1.00 0.00 H new ATOM 0 HB3 ARG A 410 -6.589 7.561 -31.850 1.00 0.00 H new ATOM 0 HG2 ARG A 410 -8.414 5.762 -30.226 1.00 0.00 H new ATOM 0 HG3 ARG A 410 -8.575 5.938 -31.962 1.00 0.00 H new ATOM 0 HD2 ARG A 410 -6.600 4.824 -32.413 1.00 0.00 H new ATOM 0 HD3 ARG A 410 -5.825 5.364 -30.937 1.00 0.00 H new ATOM 0 HE ARG A 410 -6.521 3.414 -29.901 1.00 0.00 H new ATOM 0 HH11 ARG A 410 -8.599 4.093 -32.673 1.00 0.00 H new ATOM 0 HH12 ARG A 410 -9.504 2.585 -32.511 1.00 0.00 H new ATOM 0 HH21 ARG A 410 -7.687 1.478 -29.700 1.00 0.00 H new ATOM 0 HH22 ARG A 410 -8.990 1.110 -30.835 1.00 0.00 H new ATOM 878 N SER A 411 -7.119 10.030 -29.156 1.00 0.00 N ATOM 879 CA SER A 411 -6.850 11.459 -29.057 1.00 0.00 C ATOM 880 C SER A 411 -5.575 11.719 -28.261 1.00 0.00 C ATOM 881 O SER A 411 -4.918 12.746 -28.437 1.00 0.00 O ATOM 882 CB SER A 411 -8.030 12.177 -28.399 1.00 0.00 C ATOM 883 OG SER A 411 -7.589 13.278 -27.624 1.00 0.00 O ATOM 0 H SER A 411 -8.037 9.749 -28.811 1.00 0.00 H new ATOM 0 HA SER A 411 -6.713 11.848 -30.066 1.00 0.00 H new ATOM 0 HB2 SER A 411 -8.723 12.523 -29.166 1.00 0.00 H new ATOM 0 HB3 SER A 411 -8.577 11.479 -27.766 1.00 0.00 H new ATOM 0 HG SER A 411 -8.362 13.721 -27.215 1.00 0.00 H new ATOM 889 N HIS A 412 -5.230 10.781 -27.385 1.00 0.00 N ATOM 890 CA HIS A 412 -4.033 10.906 -26.562 1.00 0.00 C ATOM 891 C HIS A 412 -2.799 10.428 -27.321 1.00 0.00 C ATOM 892 O HIS A 412 -1.678 10.847 -27.030 1.00 0.00 O ATOM 893 CB HIS A 412 -4.192 10.108 -25.268 1.00 0.00 C ATOM 894 CG HIS A 412 -5.492 10.356 -24.567 1.00 0.00 C ATOM 895 ND1 HIS A 412 -5.960 11.620 -24.276 1.00 0.00 N ATOM 896 CD2 HIS A 412 -6.424 9.494 -24.099 1.00 0.00 C ATOM 897 CE1 HIS A 412 -7.124 11.525 -23.658 1.00 0.00 C ATOM 898 NE2 HIS A 412 -7.428 10.245 -23.539 1.00 0.00 N ATOM 0 H HIS A 412 -5.763 9.926 -27.227 1.00 0.00 H new ATOM 0 HA HIS A 412 -3.900 11.959 -26.316 1.00 0.00 H new ATOM 0 HB2 HIS A 412 -4.107 9.045 -25.494 1.00 0.00 H new ATOM 0 HB3 HIS A 412 -3.372 10.357 -24.594 1.00 0.00 H new ATOM 0 HD1 HIS A 412 -5.482 12.492 -24.502 1.00 0.00 H new ATOM 0 HD2 HIS A 412 -6.385 8.416 -24.155 1.00 0.00 H new ATOM 0 HE1 HIS A 412 -7.724 12.352 -23.310 1.00 0.00 H new ATOM 959 N LYS A 418 2.273 11.420 -41.349 1.00 0.00 N ATOM 960 CA LYS A 418 1.698 11.199 -42.671 1.00 0.00 C ATOM 961 C LYS A 418 0.300 10.600 -42.564 1.00 0.00 C ATOM 962 O LYS A 418 -0.083 10.036 -41.538 1.00 0.00 O ATOM 963 CB LYS A 418 2.599 10.275 -43.494 1.00 0.00 C ATOM 964 CG LYS A 418 3.684 11.009 -44.263 1.00 0.00 C ATOM 965 CD LYS A 418 4.581 11.809 -43.334 1.00 0.00 C ATOM 966 CE LYS A 418 6.026 11.801 -43.811 1.00 0.00 C ATOM 967 NZ LYS A 418 6.886 12.697 -42.990 1.00 0.00 N ATOM 0 HA LYS A 418 1.623 12.164 -43.172 1.00 0.00 H new ATOM 0 HB2 LYS A 418 3.065 9.549 -42.828 1.00 0.00 H new ATOM 0 HB3 LYS A 418 1.984 9.714 -44.197 1.00 0.00 H new ATOM 0 HG2 LYS A 418 4.285 10.291 -44.821 1.00 0.00 H new ATOM 0 HG3 LYS A 418 3.226 11.677 -44.992 1.00 0.00 H new ATOM 0 HD2 LYS A 418 4.222 12.836 -43.275 1.00 0.00 H new ATOM 0 HD3 LYS A 418 4.527 11.394 -42.327 1.00 0.00 H new ATOM 0 HE2 LYS A 418 6.417 10.784 -43.769 1.00 0.00 H new ATOM 0 HE3 LYS A 418 6.066 12.115 -44.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 7.862 12.664 -43.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 6.529 13.672 -43.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 6.869 12.382 -41.999 1.00 0.00 H new ATOM 981 N PRO A 419 -0.482 10.722 -43.647 1.00 0.00 N ATOM 982 CA PRO A 419 -1.849 10.196 -43.699 1.00 0.00 C ATOM 983 C PRO A 419 -1.884 8.672 -43.724 1.00 0.00 C ATOM 984 O PRO A 419 -2.747 8.050 -43.104 1.00 0.00 O ATOM 985 CB PRO A 419 -2.398 10.765 -45.009 1.00 0.00 C ATOM 986 CG PRO A 419 -1.194 11.003 -45.853 1.00 0.00 C ATOM 987 CD PRO A 419 -0.091 11.381 -44.904 1.00 0.00 C ATOM 0 HA PRO A 419 -2.428 10.478 -42.820 1.00 0.00 H new ATOM 0 HB2 PRO A 419 -3.085 10.066 -45.487 1.00 0.00 H new ATOM 0 HB3 PRO A 419 -2.951 11.689 -44.838 1.00 0.00 H new ATOM 0 HG2 PRO A 419 -0.932 10.110 -46.420 1.00 0.00 H new ATOM 0 HG3 PRO A 419 -1.376 11.798 -46.577 1.00 0.00 H new ATOM 0 HD2 PRO A 419 0.879 11.031 -45.256 1.00 0.00 H new ATOM 0 HD3 PRO A 419 -0.016 12.462 -44.785 1.00 0.00 H new ATOM 995 N TYR A 420 -0.941 8.075 -44.444 1.00 0.00 N ATOM 996 CA TYR A 420 -0.865 6.623 -44.552 1.00 0.00 C ATOM 997 C TYR A 420 0.474 6.108 -44.033 1.00 0.00 C ATOM 998 O TYR A 420 1.526 6.675 -44.327 1.00 0.00 O ATOM 999 CB TYR A 420 -1.063 6.187 -46.005 1.00 0.00 C ATOM 1000 CG TYR A 420 -2.362 6.670 -46.610 1.00 0.00 C ATOM 1001 CD1 TYR A 420 -3.569 6.062 -46.287 1.00 0.00 C ATOM 1002 CD2 TYR A 420 -2.382 7.732 -47.505 1.00 0.00 C ATOM 1003 CE1 TYR A 420 -4.758 6.499 -46.837 1.00 0.00 C ATOM 1004 CE2 TYR A 420 -3.567 8.176 -48.060 1.00 0.00 C ATOM 1005 CZ TYR A 420 -4.752 7.557 -47.723 1.00 0.00 C ATOM 1006 OH TYR A 420 -5.934 7.995 -48.274 1.00 0.00 O ATOM 0 H TYR A 420 -0.218 8.575 -44.962 1.00 0.00 H new ATOM 0 HA TYR A 420 -1.660 6.197 -43.940 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -0.232 6.560 -46.604 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -1.030 5.099 -46.057 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -3.577 5.234 -45.594 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -1.456 8.219 -47.772 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -5.687 6.015 -46.575 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -3.565 9.003 -48.754 1.00 0.00 H new ATOM 0 HH TYR A 420 -5.755 8.748 -48.876 1.00 0.00 H new ATOM 1016 N ILE A 421 0.425 5.029 -43.259 1.00 0.00 N ATOM 1017 CA ILE A 421 1.633 4.435 -42.699 1.00 0.00 C ATOM 1018 C ILE A 421 1.668 2.929 -42.942 1.00 0.00 C ATOM 1019 O ILE A 421 0.632 2.265 -42.941 1.00 0.00 O ATOM 1020 CB ILE A 421 1.743 4.702 -41.187 1.00 0.00 C ATOM 1021 CG1 ILE A 421 0.461 4.266 -40.475 1.00 0.00 C ATOM 1022 CG2 ILE A 421 2.024 6.175 -40.929 1.00 0.00 C ATOM 1023 CD1 ILE A 421 -0.595 5.347 -40.416 1.00 0.00 C ATOM 0 H ILE A 421 -0.438 4.548 -43.005 1.00 0.00 H new ATOM 0 HA ILE A 421 2.478 4.903 -43.204 1.00 0.00 H new ATOM 0 HB ILE A 421 2.573 4.118 -40.789 1.00 0.00 H new ATOM 0 HG12 ILE A 421 0.050 3.395 -40.985 1.00 0.00 H new ATOM 0 HG13 ILE A 421 0.707 3.954 -39.460 1.00 0.00 H new ATOM 0 HG21 ILE A 421 2.099 6.348 -39.856 1.00 0.00 H new ATOM 0 HG22 ILE A 421 2.962 6.456 -41.408 1.00 0.00 H new ATOM 0 HG23 ILE A 421 1.213 6.777 -41.338 1.00 0.00 H new ATOM 0 HD11 ILE A 421 -1.476 4.968 -39.898 1.00 0.00 H new ATOM 0 HD12 ILE A 421 -0.202 6.211 -39.879 1.00 0.00 H new ATOM 0 HD13 ILE A 421 -0.869 5.643 -41.428 1.00 0.00 H new ATOM 1035 N CYS A 422 2.868 2.397 -43.148 1.00 0.00 N ATOM 1036 CA CYS A 422 3.041 0.970 -43.390 1.00 0.00 C ATOM 1037 C CYS A 422 2.371 0.147 -42.294 1.00 0.00 C ATOM 1038 O CYS A 422 2.121 0.644 -41.196 1.00 0.00 O ATOM 1039 CB CYS A 422 4.528 0.621 -43.468 1.00 0.00 C ATOM 1040 SG CYS A 422 4.878 -0.962 -44.299 1.00 0.00 S ATOM 0 H CYS A 422 3.736 2.933 -43.152 1.00 0.00 H new ATOM 0 HA CYS A 422 2.568 0.729 -44.342 1.00 0.00 H new ATOM 0 HB2 CYS A 422 5.050 1.419 -43.995 1.00 0.00 H new ATOM 0 HB3 CYS A 422 4.936 0.587 -42.458 1.00 0.00 H new ATOM 0 HG CYS A 422 6.001 -1.445 -43.857 1.00 0.00 H new ATOM 1045 N GLN A 423 2.083 -1.114 -42.600 1.00 0.00 N ATOM 1046 CA GLN A 423 1.442 -2.005 -41.641 1.00 0.00 C ATOM 1047 C GLN A 423 2.481 -2.787 -40.845 1.00 0.00 C ATOM 1048 O GLN A 423 2.145 -3.505 -39.903 1.00 0.00 O ATOM 1049 CB GLN A 423 0.501 -2.973 -42.362 1.00 0.00 C ATOM 1050 CG GLN A 423 -0.967 -2.750 -42.037 1.00 0.00 C ATOM 1051 CD GLN A 423 -1.710 -2.039 -43.152 1.00 0.00 C ATOM 1052 OE1 GLN A 423 -1.668 -0.813 -43.257 1.00 0.00 O ATOM 1053 NE2 GLN A 423 -2.395 -2.807 -43.990 1.00 0.00 N ATOM 0 H GLN A 423 2.283 -1.541 -43.504 1.00 0.00 H new ATOM 0 HA GLN A 423 0.863 -1.395 -40.947 1.00 0.00 H new ATOM 0 HB2 GLN A 423 0.646 -2.873 -43.438 1.00 0.00 H new ATOM 0 HB3 GLN A 423 0.772 -3.995 -42.097 1.00 0.00 H new ATOM 0 HG2 GLN A 423 -1.443 -3.712 -41.844 1.00 0.00 H new ATOM 0 HG3 GLN A 423 -1.048 -2.165 -41.121 1.00 0.00 H new ATOM 0 HE21 GLN A 423 -2.401 -3.819 -43.865 1.00 0.00 H new ATOM 0 HE22 GLN A 423 -2.915 -2.385 -44.759 1.00 0.00 H new ATOM 1062 N SER A 424 3.745 -2.643 -41.230 1.00 0.00 N ATOM 1063 CA SER A 424 4.834 -3.339 -40.554 1.00 0.00 C ATOM 1064 C SER A 424 5.718 -2.355 -39.793 1.00 0.00 C ATOM 1065 O SER A 424 5.646 -2.259 -38.567 1.00 0.00 O ATOM 1066 CB SER A 424 5.675 -4.119 -41.567 1.00 0.00 C ATOM 1067 OG SER A 424 5.202 -5.447 -41.708 1.00 0.00 O ATOM 0 H SER A 424 4.040 -2.051 -42.006 1.00 0.00 H new ATOM 0 HA SER A 424 4.398 -4.037 -39.839 1.00 0.00 H new ATOM 0 HB2 SER A 424 5.646 -3.615 -42.533 1.00 0.00 H new ATOM 0 HB3 SER A 424 6.716 -4.133 -41.246 1.00 0.00 H new ATOM 0 HG SER A 424 5.755 -5.924 -42.362 1.00 0.00 H new ATOM 1073 N CYS A 425 6.551 -1.627 -40.527 1.00 0.00 N ATOM 1074 CA CYS A 425 7.450 -0.650 -39.924 1.00 0.00 C ATOM 1075 C CYS A 425 6.687 0.600 -39.496 1.00 0.00 C ATOM 1076 O CYS A 425 7.184 1.406 -38.711 1.00 0.00 O ATOM 1077 CB CYS A 425 8.560 -0.272 -40.906 1.00 0.00 C ATOM 1078 SG CYS A 425 7.956 0.401 -42.488 1.00 0.00 S ATOM 0 H CYS A 425 6.623 -1.695 -41.542 1.00 0.00 H new ATOM 0 HA CYS A 425 7.896 -1.103 -39.039 1.00 0.00 H new ATOM 0 HB2 CYS A 425 9.212 0.464 -40.435 1.00 0.00 H new ATOM 0 HB3 CYS A 425 9.168 -1.154 -41.107 1.00 0.00 H new ATOM 0 HG CYS A 425 8.968 0.692 -43.250 1.00 0.00 H new ATOM 1083 N GLY A 426 5.474 0.755 -40.019 1.00 0.00 N ATOM 1084 CA GLY A 426 4.661 1.908 -39.680 1.00 0.00 C ATOM 1085 C GLY A 426 5.424 3.212 -39.806 1.00 0.00 C ATOM 1086 O GLY A 426 5.324 4.084 -38.943 1.00 0.00 O ATOM 0 H GLY A 426 5.040 0.102 -40.672 1.00 0.00 H new ATOM 0 HA2 GLY A 426 3.788 1.937 -40.331 1.00 0.00 H new ATOM 0 HA3 GLY A 426 4.294 1.802 -38.659 1.00 0.00 H new ATOM 1090 N LYS A 427 6.191 3.345 -40.883 1.00 0.00 N ATOM 1091 CA LYS A 427 6.975 4.551 -41.119 1.00 0.00 C ATOM 1092 C LYS A 427 6.068 5.741 -41.416 1.00 0.00 C ATOM 1093 O LYS A 427 5.859 6.603 -40.563 1.00 0.00 O ATOM 1094 CB LYS A 427 7.945 4.334 -42.283 1.00 0.00 C ATOM 1095 CG LYS A 427 8.766 5.564 -42.629 1.00 0.00 C ATOM 1096 CD LYS A 427 10.112 5.187 -43.224 1.00 0.00 C ATOM 1097 CE LYS A 427 11.085 4.719 -42.152 1.00 0.00 C ATOM 1098 NZ LYS A 427 12.191 5.695 -41.944 1.00 0.00 N ATOM 0 H LYS A 427 6.286 2.632 -41.606 1.00 0.00 H new ATOM 0 HA LYS A 427 7.544 4.767 -40.214 1.00 0.00 H new ATOM 0 HB2 LYS A 427 8.620 3.515 -42.034 1.00 0.00 H new ATOM 0 HB3 LYS A 427 7.380 4.025 -43.163 1.00 0.00 H new ATOM 0 HG2 LYS A 427 8.215 6.183 -43.337 1.00 0.00 H new ATOM 0 HG3 LYS A 427 8.919 6.164 -41.732 1.00 0.00 H new ATOM 0 HD2 LYS A 427 9.976 4.397 -43.963 1.00 0.00 H new ATOM 0 HD3 LYS A 427 10.532 6.045 -43.748 1.00 0.00 H new ATOM 0 HE2 LYS A 427 10.549 4.572 -41.214 1.00 0.00 H new ATOM 0 HE3 LYS A 427 11.502 3.753 -42.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 427 12.833 5.341 -41.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 427 12.718 5.817 -42.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 427 11.795 6.610 -41.648 1.00 0.00 H new ATOM 1112 N GLY A 428 5.530 5.781 -42.631 1.00 0.00 N ATOM 1113 CA GLY A 428 4.650 6.869 -43.017 1.00 0.00 C ATOM 1114 C GLY A 428 5.097 7.550 -44.296 1.00 0.00 C ATOM 1115 O GLY A 428 6.209 8.071 -44.374 1.00 0.00 O ATOM 0 H GLY A 428 5.688 5.080 -43.355 1.00 0.00 H new ATOM 0 HA2 GLY A 428 3.638 6.485 -43.148 1.00 0.00 H new ATOM 0 HA3 GLY A 428 4.611 7.603 -42.212 1.00 0.00 H new ATOM 1119 N PHE A 429 4.229 7.544 -45.302 1.00 0.00 N ATOM 1120 CA PHE A 429 4.541 8.163 -46.585 1.00 0.00 C ATOM 1121 C PHE A 429 3.521 9.245 -46.929 1.00 0.00 C ATOM 1122 O PHE A 429 2.332 9.107 -46.640 1.00 0.00 O ATOM 1123 CB PHE A 429 4.573 7.106 -47.691 1.00 0.00 C ATOM 1124 CG PHE A 429 5.777 6.210 -47.629 1.00 0.00 C ATOM 1125 CD1 PHE A 429 5.799 5.115 -46.780 1.00 0.00 C ATOM 1126 CD2 PHE A 429 6.887 6.463 -48.419 1.00 0.00 C ATOM 1127 CE1 PHE A 429 6.906 4.290 -46.720 1.00 0.00 C ATOM 1128 CE2 PHE A 429 7.996 5.640 -48.364 1.00 0.00 C ATOM 1129 CZ PHE A 429 8.005 4.552 -47.514 1.00 0.00 C ATOM 0 H PHE A 429 3.304 7.117 -45.254 1.00 0.00 H new ATOM 0 HA PHE A 429 5.524 8.627 -46.507 1.00 0.00 H new ATOM 0 HB2 PHE A 429 3.672 6.496 -47.626 1.00 0.00 H new ATOM 0 HB3 PHE A 429 4.551 7.605 -48.660 1.00 0.00 H new ATOM 0 HD1 PHE A 429 4.941 4.904 -46.158 1.00 0.00 H new ATOM 0 HD2 PHE A 429 6.886 7.313 -49.085 1.00 0.00 H new ATOM 0 HE1 PHE A 429 6.912 3.441 -46.053 1.00 0.00 H new ATOM 0 HE2 PHE A 429 8.855 5.848 -48.985 1.00 0.00 H new ATOM 0 HZ PHE A 429 8.870 3.907 -47.470 1.00 0.00 H new ATOM 1139 N SER A 430 3.995 10.321 -47.548 1.00 0.00 N ATOM 1140 CA SER A 430 3.126 11.429 -47.928 1.00 0.00 C ATOM 1141 C SER A 430 1.938 10.931 -48.745 1.00 0.00 C ATOM 1142 O SER A 430 0.784 11.206 -48.414 1.00 0.00 O ATOM 1143 CB SER A 430 3.911 12.469 -48.730 1.00 0.00 C ATOM 1144 OG SER A 430 5.087 11.904 -49.284 1.00 0.00 O ATOM 0 H SER A 430 4.976 10.449 -47.797 1.00 0.00 H new ATOM 0 HA SER A 430 2.749 11.893 -47.016 1.00 0.00 H new ATOM 0 HB2 SER A 430 3.284 12.867 -49.528 1.00 0.00 H new ATOM 0 HB3 SER A 430 4.175 13.307 -48.085 1.00 0.00 H new ATOM 0 HG SER A 430 5.570 12.588 -49.793 1.00 0.00 H new ATOM 1150 N ARG A 431 2.228 10.199 -49.815 1.00 0.00 N ATOM 1151 CA ARG A 431 1.185 9.664 -50.681 1.00 0.00 C ATOM 1152 C ARG A 431 0.941 8.186 -50.390 1.00 0.00 C ATOM 1153 O ARG A 431 1.776 7.498 -49.801 1.00 0.00 O ATOM 1154 CB ARG A 431 1.568 9.848 -52.151 1.00 0.00 C ATOM 1155 CG ARG A 431 0.857 11.012 -52.824 1.00 0.00 C ATOM 1156 CD ARG A 431 1.454 12.346 -52.405 1.00 0.00 C ATOM 1157 NE ARG A 431 0.599 13.469 -52.779 1.00 0.00 N ATOM 1158 CZ ARG A 431 0.510 13.944 -54.017 1.00 0.00 C ATOM 1159 NH1 ARG A 431 1.219 13.395 -54.994 1.00 0.00 N ATOM 1160 NH2 ARG A 431 -0.290 14.970 -54.279 1.00 0.00 N ATOM 0 H ARG A 431 3.177 9.963 -50.103 1.00 0.00 H new ATOM 0 HA ARG A 431 0.265 10.213 -50.480 1.00 0.00 H new ATOM 0 HB2 ARG A 431 2.645 10.001 -52.221 1.00 0.00 H new ATOM 0 HB3 ARG A 431 1.341 8.931 -52.695 1.00 0.00 H new ATOM 0 HG2 ARG A 431 0.926 10.905 -53.907 1.00 0.00 H new ATOM 0 HG3 ARG A 431 -0.202 10.990 -52.568 1.00 0.00 H new ATOM 0 HD2 ARG A 431 1.608 12.351 -51.326 1.00 0.00 H new ATOM 0 HD3 ARG A 431 2.434 12.466 -52.868 1.00 0.00 H new ATOM 0 HE ARG A 431 0.040 13.913 -52.051 1.00 0.00 H new ATOM 0 HH11 ARG A 431 1.835 12.606 -54.796 1.00 0.00 H new ATOM 0 HH12 ARG A 431 1.149 13.762 -55.943 1.00 0.00 H new ATOM 0 HH21 ARG A 431 -0.837 15.394 -53.530 1.00 0.00 H new ATOM 0 HH22 ARG A 431 -0.358 15.334 -55.229 1.00 0.00 H new ATOM 1174 N PRO A 432 -0.229 7.684 -50.811 1.00 0.00 N ATOM 1175 CA PRO A 432 -0.610 6.284 -50.606 1.00 0.00 C ATOM 1176 C PRO A 432 0.218 5.328 -51.458 1.00 0.00 C ATOM 1177 O PRO A 432 0.737 4.328 -50.961 1.00 0.00 O ATOM 1178 CB PRO A 432 -2.079 6.249 -51.037 1.00 0.00 C ATOM 1179 CG PRO A 432 -2.220 7.381 -51.995 1.00 0.00 C ATOM 1180 CD PRO A 432 -1.271 8.446 -51.519 1.00 0.00 C ATOM 0 HA PRO A 432 -0.446 5.963 -49.577 1.00 0.00 H new ATOM 0 HB2 PRO A 432 -2.331 5.299 -51.507 1.00 0.00 H new ATOM 0 HB3 PRO A 432 -2.745 6.368 -50.183 1.00 0.00 H new ATOM 0 HG2 PRO A 432 -1.976 7.066 -53.010 1.00 0.00 H new ATOM 0 HG3 PRO A 432 -3.245 7.751 -52.014 1.00 0.00 H new ATOM 0 HD2 PRO A 432 -0.857 9.016 -52.351 1.00 0.00 H new ATOM 0 HD3 PRO A 432 -1.765 9.159 -50.859 1.00 0.00 H new ATOM 1188 N ASP A 433 0.337 5.641 -52.744 1.00 0.00 N ATOM 1189 CA ASP A 433 1.103 4.810 -53.665 1.00 0.00 C ATOM 1190 C ASP A 433 2.514 4.569 -53.135 1.00 0.00 C ATOM 1191 O ASP A 433 3.069 3.481 -53.290 1.00 0.00 O ATOM 1192 CB ASP A 433 1.169 5.467 -55.045 1.00 0.00 C ATOM 1193 CG ASP A 433 1.503 4.477 -56.143 1.00 0.00 C ATOM 1194 OD1 ASP A 433 1.705 3.286 -55.826 1.00 0.00 O ATOM 1195 OD2 ASP A 433 1.564 4.893 -57.319 1.00 0.00 O ATOM 0 H ASP A 433 -0.087 6.464 -53.172 1.00 0.00 H new ATOM 0 HA ASP A 433 0.598 3.848 -53.753 1.00 0.00 H new ATOM 0 HB2 ASP A 433 0.212 5.940 -55.265 1.00 0.00 H new ATOM 0 HB3 ASP A 433 1.919 6.257 -55.032 1.00 0.00 H new ATOM 1200 N HIS A 434 3.088 5.592 -52.511 1.00 0.00 N ATOM 1201 CA HIS A 434 4.434 5.492 -51.958 1.00 0.00 C ATOM 1202 C HIS A 434 4.529 4.340 -50.962 1.00 0.00 C ATOM 1203 O HIS A 434 5.602 3.775 -50.750 1.00 0.00 O ATOM 1204 CB HIS A 434 4.828 6.804 -51.278 1.00 0.00 C ATOM 1205 CG HIS A 434 4.984 7.949 -52.231 1.00 0.00 C ATOM 1206 ND1 HIS A 434 5.892 8.970 -52.038 1.00 0.00 N ATOM 1207 CD2 HIS A 434 4.344 8.231 -53.389 1.00 0.00 C ATOM 1208 CE1 HIS A 434 5.801 9.830 -53.036 1.00 0.00 C ATOM 1209 NE2 HIS A 434 4.869 9.405 -53.870 1.00 0.00 N ATOM 0 H HIS A 434 2.643 6.500 -52.375 1.00 0.00 H new ATOM 0 HA HIS A 434 5.123 5.296 -52.779 1.00 0.00 H new ATOM 0 HB2 HIS A 434 4.072 7.060 -50.536 1.00 0.00 H new ATOM 0 HB3 HIS A 434 5.765 6.658 -50.741 1.00 0.00 H new ATOM 0 HD2 HIS A 434 3.565 7.642 -53.850 1.00 0.00 H new ATOM 0 HE1 HIS A 434 6.389 10.729 -53.151 1.00 0.00 H new ATOM 0 HE2 HIS A 434 4.586 9.873 -54.731 1.00 0.00 H new ATOM 1217 N LEU A 435 3.399 3.998 -50.353 1.00 0.00 N ATOM 1218 CA LEU A 435 3.354 2.914 -49.378 1.00 0.00 C ATOM 1219 C LEU A 435 3.082 1.578 -50.061 1.00 0.00 C ATOM 1220 O LEU A 435 3.606 0.542 -49.652 1.00 0.00 O ATOM 1221 CB LEU A 435 2.277 3.191 -48.327 1.00 0.00 C ATOM 1222 CG LEU A 435 2.198 2.197 -47.168 1.00 0.00 C ATOM 1223 CD1 LEU A 435 3.448 2.284 -46.305 1.00 0.00 C ATOM 1224 CD2 LEU A 435 0.952 2.449 -46.332 1.00 0.00 C ATOM 0 H LEU A 435 2.502 4.455 -50.517 1.00 0.00 H new ATOM 0 HA LEU A 435 4.326 2.859 -48.888 1.00 0.00 H new ATOM 0 HB2 LEU A 435 2.447 4.186 -47.915 1.00 0.00 H new ATOM 0 HB3 LEU A 435 1.308 3.214 -48.826 1.00 0.00 H new ATOM 0 HG LEU A 435 2.135 1.190 -47.582 1.00 0.00 H new ATOM 0 HD11 LEU A 435 3.374 1.570 -45.485 1.00 0.00 H new ATOM 0 HD12 LEU A 435 4.325 2.053 -46.910 1.00 0.00 H new ATOM 0 HD13 LEU A 435 3.542 3.292 -45.901 1.00 0.00 H new ATOM 0 HD21 LEU A 435 0.913 1.732 -45.512 1.00 0.00 H new ATOM 0 HD22 LEU A 435 0.983 3.461 -45.928 1.00 0.00 H new ATOM 0 HD23 LEU A 435 0.066 2.335 -46.956 1.00 0.00 H new ATOM 1236 N ASN A 436 2.262 1.610 -51.106 1.00 0.00 N ATOM 1237 CA ASN A 436 1.922 0.401 -51.848 1.00 0.00 C ATOM 1238 C ASN A 436 3.181 -0.357 -52.260 1.00 0.00 C ATOM 1239 O ASN A 436 3.371 -1.514 -51.889 1.00 0.00 O ATOM 1240 CB ASN A 436 1.098 0.753 -53.088 1.00 0.00 C ATOM 1241 CG ASN A 436 -0.121 -0.136 -53.244 1.00 0.00 C ATOM 1242 OD1 ASN A 436 -1.204 0.332 -53.596 1.00 0.00 O ATOM 1243 ND2 ASN A 436 0.051 -1.426 -52.981 1.00 0.00 N ATOM 0 H ASN A 436 1.821 2.459 -51.458 1.00 0.00 H new ATOM 0 HA ASN A 436 1.329 -0.240 -51.196 1.00 0.00 H new ATOM 0 HB2 ASN A 436 0.780 1.794 -53.026 1.00 0.00 H new ATOM 0 HB3 ASN A 436 1.725 0.664 -53.975 1.00 0.00 H new ATOM 0 HD21 ASN A 436 -0.733 -2.073 -53.068 1.00 0.00 H new ATOM 0 HD22 ASN A 436 0.967 -1.770 -52.692 1.00 0.00 H new ATOM 1250 N GLY A 437 4.040 0.306 -53.029 1.00 0.00 N ATOM 1251 CA GLY A 437 5.270 -0.320 -53.478 1.00 0.00 C ATOM 1252 C GLY A 437 6.187 -0.685 -52.328 1.00 0.00 C ATOM 1253 O GLY A 437 6.817 -1.743 -52.338 1.00 0.00 O ATOM 0 H GLY A 437 3.906 1.265 -53.349 1.00 0.00 H new ATOM 0 HA2 GLY A 437 5.030 -1.218 -54.047 1.00 0.00 H new ATOM 0 HA3 GLY A 437 5.792 0.356 -54.155 1.00 0.00 H new ATOM 1257 N HIS A 438 6.265 0.193 -51.333 1.00 0.00 N ATOM 1258 CA HIS A 438 7.114 -0.042 -50.170 1.00 0.00 C ATOM 1259 C HIS A 438 6.834 -1.413 -49.562 1.00 0.00 C ATOM 1260 O HIS A 438 7.757 -2.127 -49.167 1.00 0.00 O ATOM 1261 CB HIS A 438 6.893 1.049 -49.122 1.00 0.00 C ATOM 1262 CG HIS A 438 7.500 0.731 -47.790 1.00 0.00 C ATOM 1263 ND1 HIS A 438 8.702 1.258 -47.366 1.00 0.00 N ATOM 1264 CD2 HIS A 438 7.064 -0.063 -46.785 1.00 0.00 C ATOM 1265 CE1 HIS A 438 8.979 0.800 -46.158 1.00 0.00 C ATOM 1266 NE2 HIS A 438 8.001 -0.003 -45.783 1.00 0.00 N ATOM 0 H HIS A 438 5.751 1.074 -51.309 1.00 0.00 H new ATOM 0 HA HIS A 438 8.153 -0.015 -50.498 1.00 0.00 H new ATOM 0 HB2 HIS A 438 7.313 1.985 -49.490 1.00 0.00 H new ATOM 0 HB3 HIS A 438 5.822 1.208 -48.995 1.00 0.00 H new ATOM 0 HD2 HIS A 438 6.149 -0.637 -46.773 1.00 0.00 H new ATOM 0 HE1 HIS A 438 9.856 1.042 -45.576 1.00 0.00 H new ATOM 0 HE2 HIS A 438 7.950 -0.499 -44.893 1.00 0.00 H new ATOM 1274 N ILE A 439 5.558 -1.773 -49.489 1.00 0.00 N ATOM 1275 CA ILE A 439 5.158 -3.058 -48.928 1.00 0.00 C ATOM 1276 C ILE A 439 5.881 -4.208 -49.620 1.00 0.00 C ATOM 1277 O ILE A 439 6.326 -5.156 -48.973 1.00 0.00 O ATOM 1278 CB ILE A 439 3.638 -3.276 -49.048 1.00 0.00 C ATOM 1279 CG1 ILE A 439 2.882 -2.176 -48.300 1.00 0.00 C ATOM 1280 CG2 ILE A 439 3.255 -4.648 -48.513 1.00 0.00 C ATOM 1281 CD1 ILE A 439 1.614 -1.734 -48.995 1.00 0.00 C ATOM 0 H ILE A 439 4.783 -1.194 -49.811 1.00 0.00 H new ATOM 0 HA ILE A 439 5.432 -3.041 -47.873 1.00 0.00 H new ATOM 0 HB ILE A 439 3.362 -3.229 -50.101 1.00 0.00 H new ATOM 0 HG12 ILE A 439 2.633 -2.533 -47.300 1.00 0.00 H new ATOM 0 HG13 ILE A 439 3.538 -1.315 -48.177 1.00 0.00 H new ATOM 0 HG21 ILE A 439 2.178 -4.787 -48.605 1.00 0.00 H new ATOM 0 HG22 ILE A 439 3.770 -5.419 -49.086 1.00 0.00 H new ATOM 0 HG23 ILE A 439 3.542 -4.723 -47.464 1.00 0.00 H new ATOM 0 HD11 ILE A 439 1.131 -0.953 -48.408 1.00 0.00 H new ATOM 0 HD12 ILE A 439 1.857 -1.347 -49.984 1.00 0.00 H new ATOM 0 HD13 ILE A 439 0.938 -2.584 -49.094 1.00 0.00 H new ATOM 1293 N LYS A 440 5.996 -4.118 -50.941 1.00 0.00 N ATOM 1294 CA LYS A 440 6.669 -5.149 -51.723 1.00 0.00 C ATOM 1295 C LYS A 440 8.160 -4.853 -51.846 1.00 0.00 C ATOM 1296 O LYS A 440 8.930 -5.690 -52.316 1.00 0.00 O ATOM 1297 CB LYS A 440 6.041 -5.253 -53.115 1.00 0.00 C ATOM 1298 CG LYS A 440 6.284 -6.590 -53.794 1.00 0.00 C ATOM 1299 CD LYS A 440 6.935 -6.413 -55.156 1.00 0.00 C ATOM 1300 CE LYS A 440 7.129 -7.749 -55.858 1.00 0.00 C ATOM 1301 NZ LYS A 440 6.891 -7.644 -57.324 1.00 0.00 N ATOM 0 H LYS A 440 5.632 -3.341 -51.493 1.00 0.00 H new ATOM 0 HA LYS A 440 6.548 -6.100 -51.205 1.00 0.00 H new ATOM 0 HB2 LYS A 440 4.967 -5.087 -53.033 1.00 0.00 H new ATOM 0 HB3 LYS A 440 6.440 -4.458 -53.745 1.00 0.00 H new ATOM 0 HG2 LYS A 440 6.921 -7.209 -53.163 1.00 0.00 H new ATOM 0 HG3 LYS A 440 5.338 -7.119 -53.908 1.00 0.00 H new ATOM 0 HD2 LYS A 440 6.317 -5.762 -55.774 1.00 0.00 H new ATOM 0 HD3 LYS A 440 7.899 -5.919 -55.038 1.00 0.00 H new ATOM 0 HE2 LYS A 440 8.142 -8.110 -55.679 1.00 0.00 H new ATOM 0 HE3 LYS A 440 6.448 -8.486 -55.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 7.033 -8.575 -57.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 5.916 -7.324 -57.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 7.557 -6.960 -57.736 1.00 0.00 H new ATOM 1315 N GLN A 441 8.559 -3.659 -51.420 1.00 0.00 N ATOM 1316 CA GLN A 441 9.958 -3.255 -51.483 1.00 0.00 C ATOM 1317 C GLN A 441 10.789 -4.006 -50.448 1.00 0.00 C ATOM 1318 O GLN A 441 11.807 -4.615 -50.777 1.00 0.00 O ATOM 1319 CB GLN A 441 10.086 -1.747 -51.259 1.00 0.00 C ATOM 1320 CG GLN A 441 11.350 -1.148 -51.854 1.00 0.00 C ATOM 1321 CD GLN A 441 12.272 -0.566 -50.801 1.00 0.00 C ATOM 1322 OE1 GLN A 441 11.823 0.096 -49.865 1.00 0.00 O ATOM 1323 NE2 GLN A 441 13.568 -0.809 -50.949 1.00 0.00 N ATOM 0 H GLN A 441 7.934 -2.955 -51.028 1.00 0.00 H new ATOM 0 HA GLN A 441 10.336 -3.502 -52.475 1.00 0.00 H new ATOM 0 HB2 GLN A 441 9.219 -1.249 -51.693 1.00 0.00 H new ATOM 0 HB3 GLN A 441 10.067 -1.544 -50.188 1.00 0.00 H new ATOM 0 HG2 GLN A 441 11.883 -1.917 -52.413 1.00 0.00 H new ATOM 0 HG3 GLN A 441 11.078 -0.368 -52.565 1.00 0.00 H new ATOM 0 HE21 GLN A 441 13.896 -1.363 -51.740 1.00 0.00 H new ATOM 0 HE22 GLN A 441 14.236 -0.442 -50.271 1.00 0.00 H new ATOM 1332 N VAL A 442 10.348 -3.958 -49.194 1.00 0.00 N ATOM 1333 CA VAL A 442 11.050 -4.635 -48.111 1.00 0.00 C ATOM 1334 C VAL A 442 10.241 -5.815 -47.583 1.00 0.00 C ATOM 1335 O VAL A 442 10.748 -6.931 -47.475 1.00 0.00 O ATOM 1336 CB VAL A 442 11.350 -3.671 -46.948 1.00 0.00 C ATOM 1337 CG1 VAL A 442 12.144 -4.378 -45.859 1.00 0.00 C ATOM 1338 CG2 VAL A 442 12.096 -2.445 -47.452 1.00 0.00 C ATOM 0 H VAL A 442 9.508 -3.457 -48.904 1.00 0.00 H new ATOM 0 HA VAL A 442 11.991 -5.000 -48.523 1.00 0.00 H new ATOM 0 HB VAL A 442 10.404 -3.342 -46.519 1.00 0.00 H new ATOM 0 HG11 VAL A 442 12.347 -3.681 -45.046 1.00 0.00 H new ATOM 0 HG12 VAL A 442 11.568 -5.222 -45.479 1.00 0.00 H new ATOM 0 HG13 VAL A 442 13.087 -4.738 -46.271 1.00 0.00 H new ATOM 0 HG21 VAL A 442 12.300 -1.774 -46.617 1.00 0.00 H new ATOM 0 HG22 VAL A 442 13.037 -2.753 -47.908 1.00 0.00 H new ATOM 0 HG23 VAL A 442 11.487 -1.927 -48.193 1.00 0.00 H new ATOM 1348 N HIS A 443 8.978 -5.559 -47.256 1.00 0.00 N ATOM 1349 CA HIS A 443 8.096 -6.600 -46.740 1.00 0.00 C ATOM 1350 C HIS A 443 7.587 -7.490 -47.870 1.00 0.00 C ATOM 1351 O HIS A 443 6.381 -7.597 -48.094 1.00 0.00 O ATOM 1352 CB HIS A 443 6.916 -5.976 -45.995 1.00 0.00 C ATOM 1353 CG HIS A 443 7.313 -4.876 -45.059 1.00 0.00 C ATOM 1354 ND1 HIS A 443 8.220 -5.049 -44.036 1.00 0.00 N ATOM 1355 CD2 HIS A 443 6.921 -3.582 -44.997 1.00 0.00 C ATOM 1356 CE1 HIS A 443 8.368 -3.910 -43.383 1.00 0.00 C ATOM 1357 NE2 HIS A 443 7.591 -3.003 -43.947 1.00 0.00 N ATOM 0 H HIS A 443 8.543 -4.640 -47.339 1.00 0.00 H new ATOM 0 HA HIS A 443 8.669 -7.216 -46.046 1.00 0.00 H new ATOM 0 HB2 HIS A 443 6.204 -5.584 -46.722 1.00 0.00 H new ATOM 0 HB3 HIS A 443 6.401 -6.754 -45.431 1.00 0.00 H new ATOM 0 HD1 HIS A 443 8.702 -5.921 -43.817 1.00 0.00 H new ATOM 0 HD2 HIS A 443 6.213 -3.095 -45.651 1.00 0.00 H new ATOM 0 HE1 HIS A 443 9.014 -3.748 -42.533 1.00 0.00 H new