USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 571 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 517 SER OG : rot 133:sc= 0.795 USER MOD Set 1.2: A 519 THR OG1 : rot 180:sc= 0.105 USER MOD Set 2.1: A 512 TYR OH : rot 165:sc= 0.317 USER MOD Set 2.2: A 526 GLN : amide:sc= 0.341 K(o=0.66,f=0.029) USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 THR OG1 : rot 73:sc= 1.22 USER MOD Single : A 460 SER OG : rot 65:sc= 1.22 USER MOD Single : A 486 TYR OH : rot 180:sc= 0 USER MOD Single : A 492 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.11) USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD Single : A 496 SER OG : rot -77:sc= 0.307 USER MOD Single : A 498 GLN : amide:sc= -0.427 K(o=-0.43,f=-3!) USER MOD Single : A 504 CYS SG : rot 73:sc= 0.612 USER MOD Single : A 514 CYS SG : rot 180:sc= 0 USER MOD Single : A 516 SER OG : rot 180:sc= 0 USER MOD Single : A 521 LYS NZ :NH3+ -153:sc= 1.02 (180deg=0.534) USER MOD Single : A 523 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 79 N ARG A 441 -1.348 13.672 -8.385 1.00 0.00 N ATOM 80 CA ARG A 441 -1.366 12.267 -8.823 1.00 0.00 C ATOM 81 C ARG A 441 -0.492 11.363 -7.935 1.00 0.00 C ATOM 82 O ARG A 441 -0.436 10.153 -8.158 1.00 0.00 O ATOM 83 CB ARG A 441 -0.940 12.144 -10.292 1.00 0.00 C ATOM 84 CG ARG A 441 -1.849 12.953 -11.230 1.00 0.00 C ATOM 85 CD ARG A 441 -1.711 12.543 -12.699 1.00 0.00 C ATOM 86 NE ARG A 441 -0.312 12.555 -13.161 1.00 0.00 N ATOM 87 CZ ARG A 441 0.361 13.576 -13.678 1.00 0.00 C ATOM 88 NH1 ARG A 441 -0.179 14.767 -13.837 1.00 0.00 N ATOM 89 NH2 ARG A 441 1.613 13.408 -14.044 1.00 0.00 N ATOM 0 HA ARG A 441 -2.395 11.922 -8.724 1.00 0.00 H new ATOM 0 HB2 ARG A 441 0.089 12.488 -10.400 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -0.958 11.095 -10.587 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -2.886 12.827 -10.919 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -1.613 14.013 -11.131 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.126 11.544 -12.834 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.300 13.219 -13.318 1.00 0.00 H new ATOM 0 HE ARG A 441 0.199 11.677 -13.073 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -1.147 14.929 -13.559 1.00 0.00 H new ATOM 0 HH12 ARG A 441 0.371 15.527 -14.238 1.00 0.00 H new ATOM 0 HH21 ARG A 441 2.060 12.498 -13.930 1.00 0.00 H new ATOM 0 HH22 ARG A 441 2.137 14.187 -14.442 1.00 0.00 H new ATOM 103 N LYS A 442 0.201 11.928 -6.940 1.00 0.00 N ATOM 104 CA LYS A 442 1.018 11.181 -5.979 1.00 0.00 C ATOM 105 C LYS A 442 0.169 10.693 -4.789 1.00 0.00 C ATOM 106 O LYS A 442 -0.659 11.442 -4.270 1.00 0.00 O ATOM 107 CB LYS A 442 2.214 12.051 -5.552 1.00 0.00 C ATOM 108 CG LYS A 442 3.157 11.304 -4.590 1.00 0.00 C ATOM 109 CD LYS A 442 4.518 11.991 -4.411 1.00 0.00 C ATOM 110 CE LYS A 442 4.390 13.337 -3.688 1.00 0.00 C ATOM 111 NZ LYS A 442 5.715 13.974 -3.475 1.00 0.00 N ATOM 0 H LYS A 442 0.209 12.935 -6.778 1.00 0.00 H new ATOM 0 HA LYS A 442 1.412 10.279 -6.448 1.00 0.00 H new ATOM 0 HB2 LYS A 442 2.770 12.362 -6.436 1.00 0.00 H new ATOM 0 HB3 LYS A 442 1.849 12.958 -5.070 1.00 0.00 H new ATOM 0 HG2 LYS A 442 2.674 11.214 -3.617 1.00 0.00 H new ATOM 0 HG3 LYS A 442 3.316 10.292 -4.962 1.00 0.00 H new ATOM 0 HD2 LYS A 442 5.183 11.338 -3.846 1.00 0.00 H new ATOM 0 HD3 LYS A 442 4.977 12.146 -5.387 1.00 0.00 H new ATOM 0 HE2 LYS A 442 3.755 14.004 -4.271 1.00 0.00 H new ATOM 0 HE3 LYS A 442 3.899 13.188 -2.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 5.589 14.882 -2.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 6.312 13.348 -2.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 6.173 14.139 -4.394 1.00 0.00 H new ATOM 125 N VAL A 443 0.385 9.453 -4.338 1.00 0.00 N ATOM 126 CA VAL A 443 -0.322 8.850 -3.189 1.00 0.00 C ATOM 127 C VAL A 443 0.648 8.014 -2.351 1.00 0.00 C ATOM 128 O VAL A 443 1.229 7.058 -2.855 1.00 0.00 O ATOM 129 CB VAL A 443 -1.515 7.970 -3.648 1.00 0.00 C ATOM 130 CG1 VAL A 443 -2.290 7.413 -2.443 1.00 0.00 C ATOM 131 CG2 VAL A 443 -2.498 8.719 -4.562 1.00 0.00 C ATOM 0 H VAL A 443 1.066 8.825 -4.764 1.00 0.00 H new ATOM 0 HA VAL A 443 -0.719 9.664 -2.582 1.00 0.00 H new ATOM 0 HB VAL A 443 -1.073 7.154 -4.220 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -3.120 6.801 -2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -1.624 6.804 -1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -2.677 8.239 -1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -3.310 8.050 -4.849 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -2.907 9.578 -4.030 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -1.976 9.060 -5.456 1.00 0.00 H new ATOM 141 N PHE A 444 0.809 8.356 -1.070 1.00 0.00 N ATOM 142 CA PHE A 444 1.555 7.551 -0.097 1.00 0.00 C ATOM 143 C PHE A 444 0.774 6.275 0.264 1.00 0.00 C ATOM 144 O PHE A 444 -0.441 6.327 0.467 1.00 0.00 O ATOM 145 CB PHE A 444 1.828 8.406 1.153 1.00 0.00 C ATOM 146 CG PHE A 444 2.353 7.642 2.362 1.00 0.00 C ATOM 147 CD1 PHE A 444 1.465 6.982 3.240 1.00 0.00 C ATOM 148 CD2 PHE A 444 3.738 7.582 2.607 1.00 0.00 C ATOM 149 CE1 PHE A 444 1.959 6.260 4.340 1.00 0.00 C ATOM 150 CE2 PHE A 444 4.230 6.876 3.719 1.00 0.00 C ATOM 151 CZ PHE A 444 3.343 6.207 4.581 1.00 0.00 C ATOM 0 H PHE A 444 0.420 9.211 -0.673 1.00 0.00 H new ATOM 0 HA PHE A 444 2.505 7.239 -0.531 1.00 0.00 H new ATOM 0 HB2 PHE A 444 2.549 9.181 0.893 1.00 0.00 H new ATOM 0 HB3 PHE A 444 0.905 8.911 1.436 1.00 0.00 H new ATOM 0 HD1 PHE A 444 0.400 7.032 3.065 1.00 0.00 H new ATOM 0 HD2 PHE A 444 4.425 8.080 1.939 1.00 0.00 H new ATOM 0 HE1 PHE A 444 1.276 5.746 5.000 1.00 0.00 H new ATOM 0 HE2 PHE A 444 5.292 6.847 3.912 1.00 0.00 H new ATOM 0 HZ PHE A 444 3.724 5.654 5.426 1.00 0.00 H new ATOM 161 N VAL A 445 1.485 5.152 0.397 1.00 0.00 N ATOM 162 CA VAL A 445 0.954 3.858 0.854 1.00 0.00 C ATOM 163 C VAL A 445 1.882 3.276 1.919 1.00 0.00 C ATOM 164 O VAL A 445 3.051 3.026 1.635 1.00 0.00 O ATOM 165 CB VAL A 445 0.796 2.857 -0.308 1.00 0.00 C ATOM 166 CG1 VAL A 445 0.240 1.499 0.160 1.00 0.00 C ATOM 167 CG2 VAL A 445 -0.130 3.420 -1.387 1.00 0.00 C ATOM 0 H VAL A 445 2.482 5.114 0.183 1.00 0.00 H new ATOM 0 HA VAL A 445 -0.037 4.031 1.274 1.00 0.00 H new ATOM 0 HB VAL A 445 1.795 2.700 -0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 445 0.147 0.830 -0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 445 0.918 1.061 0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.740 1.644 0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -0.227 2.697 -2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -1.112 3.617 -0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 445 0.288 4.348 -1.777 1.00 0.00 H new ATOM 177 N GLY A 446 1.357 3.064 3.129 1.00 0.00 N ATOM 178 CA GLY A 446 2.095 2.545 4.292 1.00 0.00 C ATOM 179 C GLY A 446 1.548 1.216 4.816 1.00 0.00 C ATOM 180 O GLY A 446 0.339 0.985 4.791 1.00 0.00 O ATOM 0 H GLY A 446 0.376 3.254 3.336 1.00 0.00 H new ATOM 0 HA2 GLY A 446 3.143 2.416 4.020 1.00 0.00 H new ATOM 0 HA3 GLY A 446 2.062 3.284 5.093 1.00 0.00 H new ATOM 184 N GLY A 447 2.437 0.358 5.329 1.00 0.00 N ATOM 185 CA GLY A 447 2.106 -0.965 5.888 1.00 0.00 C ATOM 186 C GLY A 447 2.303 -2.130 4.910 1.00 0.00 C ATOM 187 O GLY A 447 1.746 -3.207 5.127 1.00 0.00 O ATOM 0 H GLY A 447 3.435 0.567 5.370 1.00 0.00 H new ATOM 0 HA2 GLY A 447 2.722 -1.138 6.770 1.00 0.00 H new ATOM 0 HA3 GLY A 447 1.068 -0.957 6.221 1.00 0.00 H new ATOM 191 N LEU A 448 3.068 -1.923 3.832 1.00 0.00 N ATOM 192 CA LEU A 448 3.352 -2.925 2.795 1.00 0.00 C ATOM 193 C LEU A 448 4.077 -4.161 3.385 1.00 0.00 C ATOM 194 O LEU A 448 4.943 -3.981 4.251 1.00 0.00 O ATOM 195 CB LEU A 448 4.207 -2.267 1.690 1.00 0.00 C ATOM 196 CG LEU A 448 3.472 -1.199 0.853 1.00 0.00 C ATOM 197 CD1 LEU A 448 4.484 -0.455 -0.025 1.00 0.00 C ATOM 198 CD2 LEU A 448 2.395 -1.819 -0.052 1.00 0.00 C ATOM 0 H LEU A 448 3.521 -1.027 3.651 1.00 0.00 H new ATOM 0 HA LEU A 448 2.411 -3.278 2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 448 5.081 -1.808 2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 448 4.572 -3.046 1.020 1.00 0.00 H new ATOM 0 HG LEU A 448 2.983 -0.515 1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 448 3.966 0.300 -0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 448 5.229 0.028 0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 448 4.978 -1.163 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 448 1.903 -1.032 -0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 448 2.860 -2.528 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 448 1.658 -2.337 0.562 1.00 0.00 H new ATOM 210 N PRO A 449 3.761 -5.395 2.929 1.00 0.00 N ATOM 211 CA PRO A 449 4.445 -6.622 3.350 1.00 0.00 C ATOM 212 C PRO A 449 5.975 -6.588 3.148 1.00 0.00 C ATOM 213 O PRO A 449 6.457 -5.858 2.280 1.00 0.00 O ATOM 214 CB PRO A 449 3.817 -7.744 2.518 1.00 0.00 C ATOM 215 CG PRO A 449 2.406 -7.233 2.245 1.00 0.00 C ATOM 216 CD PRO A 449 2.641 -5.738 2.054 1.00 0.00 C ATOM 0 HA PRO A 449 4.317 -6.763 4.423 1.00 0.00 H new ATOM 0 HB2 PRO A 449 4.368 -7.916 1.593 1.00 0.00 H new ATOM 0 HB3 PRO A 449 3.804 -8.689 3.062 1.00 0.00 H new ATOM 0 HG2 PRO A 449 1.970 -7.694 1.359 1.00 0.00 H new ATOM 0 HG3 PRO A 449 1.730 -7.437 3.076 1.00 0.00 H new ATOM 0 HD2 PRO A 449 2.873 -5.509 1.014 1.00 0.00 H new ATOM 0 HD3 PRO A 449 1.751 -5.166 2.316 1.00 0.00 H new ATOM 224 N PRO A 450 6.749 -7.402 3.895 1.00 0.00 N ATOM 225 CA PRO A 450 8.212 -7.431 3.829 1.00 0.00 C ATOM 226 C PRO A 450 8.766 -8.200 2.610 1.00 0.00 C ATOM 227 O PRO A 450 9.982 -8.347 2.489 1.00 0.00 O ATOM 228 CB PRO A 450 8.642 -8.075 5.153 1.00 0.00 C ATOM 229 CG PRO A 450 7.519 -9.073 5.421 1.00 0.00 C ATOM 230 CD PRO A 450 6.282 -8.326 4.922 1.00 0.00 C ATOM 0 HA PRO A 450 8.614 -6.427 3.696 1.00 0.00 H new ATOM 0 HB2 PRO A 450 9.610 -8.568 5.068 1.00 0.00 H new ATOM 0 HB3 PRO A 450 8.729 -7.339 5.952 1.00 0.00 H new ATOM 0 HG2 PRO A 450 7.672 -10.009 4.883 1.00 0.00 H new ATOM 0 HG3 PRO A 450 7.442 -9.322 6.479 1.00 0.00 H new ATOM 0 HD2 PRO A 450 5.546 -9.020 4.515 1.00 0.00 H new ATOM 0 HD3 PRO A 450 5.797 -7.789 5.737 1.00 0.00 H new ATOM 238 N ASP A 451 7.903 -8.685 1.707 1.00 0.00 N ATOM 239 CA ASP A 451 8.259 -9.536 0.558 1.00 0.00 C ATOM 240 C ASP A 451 7.515 -9.122 -0.732 1.00 0.00 C ATOM 241 O ASP A 451 7.331 -9.925 -1.647 1.00 0.00 O ATOM 242 CB ASP A 451 8.021 -11.011 0.940 1.00 0.00 C ATOM 243 CG ASP A 451 8.717 -12.004 -0.011 1.00 0.00 C ATOM 244 OD1 ASP A 451 9.950 -11.879 -0.217 1.00 0.00 O ATOM 245 OD2 ASP A 451 8.047 -12.942 -0.506 1.00 0.00 O ATOM 0 H ASP A 451 6.903 -8.490 1.756 1.00 0.00 H new ATOM 0 HA ASP A 451 9.316 -9.402 0.326 1.00 0.00 H new ATOM 0 HB2 ASP A 451 8.379 -11.179 1.956 1.00 0.00 H new ATOM 0 HB3 ASP A 451 6.949 -11.211 0.943 1.00 0.00 H new ATOM 250 N ILE A 452 7.068 -7.861 -0.805 1.00 0.00 N ATOM 251 CA ILE A 452 6.402 -7.277 -1.983 1.00 0.00 C ATOM 252 C ILE A 452 7.352 -6.332 -2.738 1.00 0.00 C ATOM 253 O ILE A 452 8.147 -5.618 -2.129 1.00 0.00 O ATOM 254 CB ILE A 452 5.074 -6.601 -1.562 1.00 0.00 C ATOM 255 CG1 ILE A 452 4.136 -6.502 -2.780 1.00 0.00 C ATOM 256 CG2 ILE A 452 5.289 -5.218 -0.921 1.00 0.00 C ATOM 257 CD1 ILE A 452 2.722 -6.022 -2.439 1.00 0.00 C ATOM 0 H ILE A 452 7.160 -7.202 -0.032 1.00 0.00 H new ATOM 0 HA ILE A 452 6.145 -8.070 -2.686 1.00 0.00 H new ATOM 0 HB ILE A 452 4.613 -7.225 -0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 452 4.574 -5.820 -3.509 1.00 0.00 H new ATOM 0 HG13 ILE A 452 4.072 -7.480 -3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 452 4.325 -4.791 -0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 452 5.908 -5.322 -0.030 1.00 0.00 H new ATOM 0 HG23 ILE A 452 5.787 -4.560 -1.633 1.00 0.00 H new ATOM 0 HD11 ILE A 452 2.123 -5.979 -3.349 1.00 0.00 H new ATOM 0 HD12 ILE A 452 2.262 -6.715 -1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 452 2.773 -5.030 -1.991 1.00 0.00 H new ATOM 269 N ASP A 453 7.275 -6.333 -4.068 1.00 0.00 N ATOM 270 CA ASP A 453 8.170 -5.587 -4.963 1.00 0.00 C ATOM 271 C ASP A 453 7.441 -4.506 -5.781 1.00 0.00 C ATOM 272 O ASP A 453 6.213 -4.466 -5.824 1.00 0.00 O ATOM 273 CB ASP A 453 8.912 -6.578 -5.873 1.00 0.00 C ATOM 274 CG ASP A 453 7.980 -7.339 -6.825 1.00 0.00 C ATOM 275 OD1 ASP A 453 7.484 -6.714 -7.790 1.00 0.00 O ATOM 276 OD2 ASP A 453 7.762 -8.554 -6.604 1.00 0.00 O ATOM 0 H ASP A 453 6.568 -6.868 -4.572 1.00 0.00 H new ATOM 0 HA ASP A 453 8.889 -5.047 -4.346 1.00 0.00 H new ATOM 0 HB2 ASP A 453 9.656 -6.037 -6.458 1.00 0.00 H new ATOM 0 HB3 ASP A 453 9.453 -7.294 -5.255 1.00 0.00 H new ATOM 281 N GLU A 454 8.210 -3.637 -6.445 1.00 0.00 N ATOM 282 CA GLU A 454 7.729 -2.501 -7.242 1.00 0.00 C ATOM 283 C GLU A 454 6.603 -2.864 -8.233 1.00 0.00 C ATOM 284 O GLU A 454 5.628 -2.121 -8.358 1.00 0.00 O ATOM 285 CB GLU A 454 8.931 -1.909 -8.004 1.00 0.00 C ATOM 286 CG GLU A 454 8.638 -0.550 -8.649 1.00 0.00 C ATOM 287 CD GLU A 454 9.831 -0.084 -9.496 1.00 0.00 C ATOM 288 OE1 GLU A 454 10.854 0.348 -8.914 1.00 0.00 O ATOM 289 OE2 GLU A 454 9.756 -0.150 -10.746 1.00 0.00 O ATOM 0 H GLU A 454 9.228 -3.708 -6.442 1.00 0.00 H new ATOM 0 HA GLU A 454 7.291 -1.777 -6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 454 9.770 -1.802 -7.316 1.00 0.00 H new ATOM 0 HB3 GLU A 454 9.241 -2.610 -8.779 1.00 0.00 H new ATOM 0 HG2 GLU A 454 7.748 -0.623 -9.274 1.00 0.00 H new ATOM 0 HG3 GLU A 454 8.425 0.187 -7.875 1.00 0.00 H new ATOM 296 N ASP A 455 6.699 -4.011 -8.913 1.00 0.00 N ATOM 297 CA ASP A 455 5.728 -4.447 -9.924 1.00 0.00 C ATOM 298 C ASP A 455 4.480 -5.091 -9.298 1.00 0.00 C ATOM 299 O ASP A 455 3.384 -4.952 -9.842 1.00 0.00 O ATOM 300 CB ASP A 455 6.415 -5.402 -10.911 1.00 0.00 C ATOM 301 CG ASP A 455 5.518 -5.735 -12.115 1.00 0.00 C ATOM 302 OD1 ASP A 455 5.273 -4.831 -12.949 1.00 0.00 O ATOM 303 OD2 ASP A 455 5.096 -6.909 -12.247 1.00 0.00 O ATOM 0 H ASP A 455 7.463 -4.672 -8.775 1.00 0.00 H new ATOM 0 HA ASP A 455 5.376 -3.566 -10.461 1.00 0.00 H new ATOM 0 HB2 ASP A 455 7.342 -4.951 -11.264 1.00 0.00 H new ATOM 0 HB3 ASP A 455 6.685 -6.323 -10.395 1.00 0.00 H new ATOM 308 N GLU A 456 4.614 -5.722 -8.127 1.00 0.00 N ATOM 309 CA GLU A 456 3.475 -6.184 -7.325 1.00 0.00 C ATOM 310 C GLU A 456 2.725 -5.015 -6.673 1.00 0.00 C ATOM 311 O GLU A 456 1.495 -5.024 -6.636 1.00 0.00 O ATOM 312 CB GLU A 456 3.929 -7.152 -6.227 1.00 0.00 C ATOM 313 CG GLU A 456 4.347 -8.530 -6.733 1.00 0.00 C ATOM 314 CD GLU A 456 3.159 -9.356 -7.251 1.00 0.00 C ATOM 315 OE1 GLU A 456 2.414 -9.932 -6.425 1.00 0.00 O ATOM 316 OE2 GLU A 456 2.976 -9.459 -8.488 1.00 0.00 O ATOM 0 H GLU A 456 5.520 -5.928 -7.706 1.00 0.00 H new ATOM 0 HA GLU A 456 2.802 -6.698 -8.011 1.00 0.00 H new ATOM 0 HB2 GLU A 456 4.767 -6.706 -5.690 1.00 0.00 H new ATOM 0 HB3 GLU A 456 3.118 -7.273 -5.509 1.00 0.00 H new ATOM 0 HG2 GLU A 456 5.079 -8.413 -7.532 1.00 0.00 H new ATOM 0 HG3 GLU A 456 4.839 -9.075 -5.927 1.00 0.00 H new ATOM 323 N ILE A 457 3.427 -3.978 -6.202 1.00 0.00 N ATOM 324 CA ILE A 457 2.794 -2.744 -5.701 1.00 0.00 C ATOM 325 C ILE A 457 2.089 -2.024 -6.860 1.00 0.00 C ATOM 326 O ILE A 457 0.965 -1.557 -6.683 1.00 0.00 O ATOM 327 CB ILE A 457 3.813 -1.826 -4.981 1.00 0.00 C ATOM 328 CG1 ILE A 457 4.504 -2.523 -3.785 1.00 0.00 C ATOM 329 CG2 ILE A 457 3.097 -0.562 -4.457 1.00 0.00 C ATOM 330 CD1 ILE A 457 5.826 -1.853 -3.392 1.00 0.00 C ATOM 0 H ILE A 457 4.446 -3.966 -6.156 1.00 0.00 H new ATOM 0 HA ILE A 457 2.048 -3.011 -4.953 1.00 0.00 H new ATOM 0 HB ILE A 457 4.578 -1.571 -5.715 1.00 0.00 H new ATOM 0 HG12 ILE A 457 3.830 -2.518 -2.928 1.00 0.00 H new ATOM 0 HG13 ILE A 457 4.691 -3.567 -4.037 1.00 0.00 H new ATOM 0 HG21 ILE A 457 3.817 0.081 -3.951 1.00 0.00 H new ATOM 0 HG22 ILE A 457 2.653 -0.022 -5.293 1.00 0.00 H new ATOM 0 HG23 ILE A 457 2.314 -0.852 -3.756 1.00 0.00 H new ATOM 0 HD11 ILE A 457 6.266 -2.384 -2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 457 6.514 -1.882 -4.237 1.00 0.00 H new ATOM 0 HD13 ILE A 457 5.639 -0.817 -3.111 1.00 0.00 H new ATOM 342 N THR A 458 2.685 -2.014 -8.062 1.00 0.00 N ATOM 343 CA THR A 458 2.040 -1.499 -9.280 1.00 0.00 C ATOM 344 C THR A 458 0.781 -2.292 -9.593 1.00 0.00 C ATOM 345 O THR A 458 -0.277 -1.690 -9.724 1.00 0.00 O ATOM 346 CB THR A 458 3.013 -1.485 -10.468 1.00 0.00 C ATOM 347 OG1 THR A 458 4.131 -0.687 -10.152 1.00 0.00 O ATOM 348 CG2 THR A 458 2.385 -0.893 -11.732 1.00 0.00 C ATOM 0 H THR A 458 3.630 -2.364 -8.217 1.00 0.00 H new ATOM 0 HA THR A 458 1.747 -0.465 -9.098 1.00 0.00 H new ATOM 0 HB THR A 458 3.289 -2.523 -10.657 1.00 0.00 H new ATOM 0 HG1 THR A 458 4.699 -1.160 -9.508 1.00 0.00 H new ATOM 0 HG21 THR A 458 3.115 -0.907 -12.542 1.00 0.00 H new ATOM 0 HG22 THR A 458 1.515 -1.485 -12.018 1.00 0.00 H new ATOM 0 HG23 THR A 458 2.077 0.135 -11.538 1.00 0.00 H new ATOM 356 N ALA A 459 0.842 -3.624 -9.648 1.00 0.00 N ATOM 357 CA ALA A 459 -0.329 -4.469 -9.897 1.00 0.00 C ATOM 358 C ALA A 459 -1.412 -4.331 -8.807 1.00 0.00 C ATOM 359 O ALA A 459 -2.604 -4.417 -9.106 1.00 0.00 O ATOM 360 CB ALA A 459 0.144 -5.921 -10.043 1.00 0.00 C ATOM 0 H ALA A 459 1.707 -4.149 -9.521 1.00 0.00 H new ATOM 0 HA ALA A 459 -0.807 -4.138 -10.819 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -0.714 -6.566 -10.229 1.00 0.00 H new ATOM 0 HB2 ALA A 459 0.841 -5.994 -10.878 1.00 0.00 H new ATOM 0 HB3 ALA A 459 0.642 -6.235 -9.126 1.00 0.00 H new ATOM 366 N SER A 460 -1.020 -4.047 -7.564 1.00 0.00 N ATOM 367 CA SER A 460 -1.933 -3.797 -6.439 1.00 0.00 C ATOM 368 C SER A 460 -2.726 -2.483 -6.554 1.00 0.00 C ATOM 369 O SER A 460 -3.723 -2.324 -5.845 1.00 0.00 O ATOM 370 CB SER A 460 -1.176 -3.814 -5.101 1.00 0.00 C ATOM 371 OG SER A 460 -0.572 -5.073 -4.849 1.00 0.00 O ATOM 0 H SER A 460 -0.036 -3.982 -7.302 1.00 0.00 H new ATOM 0 HA SER A 460 -2.657 -4.611 -6.476 1.00 0.00 H new ATOM 0 HB2 SER A 460 -0.410 -3.039 -5.108 1.00 0.00 H new ATOM 0 HB3 SER A 460 -1.865 -3.574 -4.291 1.00 0.00 H new ATOM 0 HG SER A 460 0.120 -5.244 -5.522 1.00 0.00 H new ATOM 377 N PHE A 461 -2.346 -1.565 -7.457 1.00 0.00 N ATOM 378 CA PHE A 461 -3.068 -0.307 -7.702 1.00 0.00 C ATOM 379 C PHE A 461 -3.377 -0.049 -9.191 1.00 0.00 C ATOM 380 O PHE A 461 -4.113 0.885 -9.509 1.00 0.00 O ATOM 381 CB PHE A 461 -2.302 0.840 -7.027 1.00 0.00 C ATOM 382 CG PHE A 461 -2.365 0.806 -5.507 1.00 0.00 C ATOM 383 CD1 PHE A 461 -1.393 0.103 -4.770 1.00 0.00 C ATOM 384 CD2 PHE A 461 -3.386 1.491 -4.822 1.00 0.00 C ATOM 385 CE1 PHE A 461 -1.442 0.072 -3.366 1.00 0.00 C ATOM 386 CE2 PHE A 461 -3.421 1.484 -3.415 1.00 0.00 C ATOM 387 CZ PHE A 461 -2.458 0.765 -2.688 1.00 0.00 C ATOM 0 H PHE A 461 -1.519 -1.677 -8.044 1.00 0.00 H new ATOM 0 HA PHE A 461 -4.058 -0.381 -7.252 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -1.258 0.802 -7.340 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -2.705 1.790 -7.377 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -0.602 -0.418 -5.289 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -4.144 2.023 -5.377 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -0.701 -0.483 -2.810 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.191 2.033 -2.893 1.00 0.00 H new ATOM 0 HZ PHE A 461 -2.499 0.745 -1.609 1.00 0.00 H new ATOM 397 N ARG A 462 -2.930 -0.921 -10.107 1.00 0.00 N ATOM 398 CA ARG A 462 -3.239 -0.866 -11.547 1.00 0.00 C ATOM 399 C ARG A 462 -4.742 -0.988 -11.850 1.00 0.00 C ATOM 400 O ARG A 462 -5.199 -0.484 -12.879 1.00 0.00 O ATOM 401 CB ARG A 462 -2.407 -1.937 -12.284 1.00 0.00 C ATOM 402 CG ARG A 462 -2.569 -1.956 -13.814 1.00 0.00 C ATOM 403 CD ARG A 462 -2.189 -0.617 -14.462 1.00 0.00 C ATOM 404 NE ARG A 462 -2.490 -0.598 -15.904 1.00 0.00 N ATOM 405 CZ ARG A 462 -3.676 -0.389 -16.466 1.00 0.00 C ATOM 406 NH1 ARG A 462 -4.777 -0.212 -15.762 1.00 0.00 N ATOM 407 NH2 ARG A 462 -3.773 -0.355 -17.777 1.00 0.00 N ATOM 0 H ARG A 462 -2.327 -1.706 -9.862 1.00 0.00 H new ATOM 0 HA ARG A 462 -2.961 0.121 -11.916 1.00 0.00 H new ATOM 0 HB2 ARG A 462 -1.354 -1.782 -12.048 1.00 0.00 H new ATOM 0 HB3 ARG A 462 -2.680 -2.918 -11.894 1.00 0.00 H new ATOM 0 HG2 ARG A 462 -1.947 -2.748 -14.232 1.00 0.00 H new ATOM 0 HG3 ARG A 462 -3.602 -2.197 -14.064 1.00 0.00 H new ATOM 0 HD2 ARG A 462 -2.729 0.191 -13.968 1.00 0.00 H new ATOM 0 HD3 ARG A 462 -1.126 -0.430 -14.311 1.00 0.00 H new ATOM 0 HE ARG A 462 -1.707 -0.762 -16.537 1.00 0.00 H new ATOM 0 HH11 ARG A 462 -4.740 -0.232 -14.743 1.00 0.00 H new ATOM 0 HH12 ARG A 462 -5.666 -0.055 -16.237 1.00 0.00 H new ATOM 0 HH21 ARG A 462 -2.942 -0.488 -18.353 1.00 0.00 H new ATOM 0 HH22 ARG A 462 -4.679 -0.195 -18.217 1.00 0.00 H new ATOM 421 N ARG A 463 -5.519 -1.557 -10.918 1.00 0.00 N ATOM 422 CA ARG A 463 -6.993 -1.587 -10.897 1.00 0.00 C ATOM 423 C ARG A 463 -7.675 -0.200 -10.943 1.00 0.00 C ATOM 424 O ARG A 463 -8.873 -0.126 -11.220 1.00 0.00 O ATOM 425 CB ARG A 463 -7.478 -2.418 -9.686 1.00 0.00 C ATOM 426 CG ARG A 463 -6.835 -2.027 -8.338 1.00 0.00 C ATOM 427 CD ARG A 463 -7.425 -2.817 -7.159 1.00 0.00 C ATOM 428 NE ARG A 463 -6.513 -2.793 -6.001 1.00 0.00 N ATOM 429 CZ ARG A 463 -6.682 -3.368 -4.816 1.00 0.00 C ATOM 430 NH1 ARG A 463 -7.805 -3.956 -4.463 1.00 0.00 N ATOM 431 NH2 ARG A 463 -5.680 -3.354 -3.967 1.00 0.00 N ATOM 0 H ARG A 463 -5.116 -2.036 -10.113 1.00 0.00 H new ATOM 0 HA ARG A 463 -7.301 -2.065 -11.827 1.00 0.00 H new ATOM 0 HB2 ARG A 463 -8.560 -2.314 -9.601 1.00 0.00 H new ATOM 0 HB3 ARG A 463 -7.273 -3.471 -9.879 1.00 0.00 H new ATOM 0 HG2 ARG A 463 -5.760 -2.201 -8.387 1.00 0.00 H new ATOM 0 HG3 ARG A 463 -6.978 -0.960 -8.166 1.00 0.00 H new ATOM 0 HD2 ARG A 463 -8.388 -2.392 -6.877 1.00 0.00 H new ATOM 0 HD3 ARG A 463 -7.608 -3.848 -7.462 1.00 0.00 H new ATOM 0 HE ARG A 463 -5.646 -2.271 -6.125 1.00 0.00 H new ATOM 0 HH11 ARG A 463 -8.592 -3.983 -5.111 1.00 0.00 H new ATOM 0 HH12 ARG A 463 -7.888 -4.385 -3.541 1.00 0.00 H new ATOM 0 HH21 ARG A 463 -4.799 -2.909 -4.225 1.00 0.00 H new ATOM 0 HH22 ARG A 463 -5.783 -3.788 -3.050 1.00 0.00 H new ATOM 445 N PHE A 464 -6.927 0.891 -10.729 1.00 0.00 N ATOM 446 CA PHE A 464 -7.404 2.281 -10.797 1.00 0.00 C ATOM 447 C PHE A 464 -6.969 3.031 -12.070 1.00 0.00 C ATOM 448 O PHE A 464 -7.401 4.164 -12.287 1.00 0.00 O ATOM 449 CB PHE A 464 -6.922 3.000 -9.527 1.00 0.00 C ATOM 450 CG PHE A 464 -7.410 2.334 -8.255 1.00 0.00 C ATOM 451 CD1 PHE A 464 -8.791 2.178 -8.040 1.00 0.00 C ATOM 452 CD2 PHE A 464 -6.497 1.781 -7.339 1.00 0.00 C ATOM 453 CE1 PHE A 464 -9.257 1.462 -6.927 1.00 0.00 C ATOM 454 CE2 PHE A 464 -6.963 1.054 -6.229 1.00 0.00 C ATOM 455 CZ PHE A 464 -8.345 0.895 -6.020 1.00 0.00 C ATOM 0 H PHE A 464 -5.936 0.828 -10.495 1.00 0.00 H new ATOM 0 HA PHE A 464 -8.493 2.269 -10.851 1.00 0.00 H new ATOM 0 HB2 PHE A 464 -5.832 3.028 -9.522 1.00 0.00 H new ATOM 0 HB3 PHE A 464 -7.268 4.034 -9.546 1.00 0.00 H new ATOM 0 HD1 PHE A 464 -9.496 2.611 -8.734 1.00 0.00 H new ATOM 0 HD2 PHE A 464 -5.436 1.915 -7.488 1.00 0.00 H new ATOM 0 HE1 PHE A 464 -10.319 1.346 -6.767 1.00 0.00 H new ATOM 0 HE2 PHE A 464 -6.259 0.617 -5.536 1.00 0.00 H new ATOM 0 HZ PHE A 464 -8.704 0.340 -5.166 1.00 0.00 H new ATOM 465 N GLY A 465 -6.142 2.408 -12.918 1.00 0.00 N ATOM 466 CA GLY A 465 -5.526 2.999 -14.114 1.00 0.00 C ATOM 467 C GLY A 465 -3.989 2.958 -14.069 1.00 0.00 C ATOM 468 O GLY A 465 -3.428 2.513 -13.064 1.00 0.00 O ATOM 0 H GLY A 465 -5.871 1.434 -12.784 1.00 0.00 H new ATOM 0 HA2 GLY A 465 -5.874 2.466 -14.999 1.00 0.00 H new ATOM 0 HA3 GLY A 465 -5.855 4.033 -14.215 1.00 0.00 H new ATOM 472 N PRO A 466 -3.300 3.377 -15.149 1.00 0.00 N ATOM 473 CA PRO A 466 -1.841 3.332 -15.255 1.00 0.00 C ATOM 474 C PRO A 466 -1.126 4.179 -14.194 1.00 0.00 C ATOM 475 O PRO A 466 -1.596 5.257 -13.819 1.00 0.00 O ATOM 476 CB PRO A 466 -1.511 3.823 -16.671 1.00 0.00 C ATOM 477 CG PRO A 466 -2.782 3.529 -17.461 1.00 0.00 C ATOM 478 CD PRO A 466 -3.874 3.783 -16.425 1.00 0.00 C ATOM 0 HA PRO A 466 -1.486 2.317 -15.076 1.00 0.00 H new ATOM 0 HB2 PRO A 466 -1.271 4.886 -16.680 1.00 0.00 H new ATOM 0 HB3 PRO A 466 -0.651 3.298 -17.087 1.00 0.00 H new ATOM 0 HG2 PRO A 466 -2.883 4.183 -18.327 1.00 0.00 H new ATOM 0 HG3 PRO A 466 -2.803 2.504 -17.831 1.00 0.00 H new ATOM 0 HD2 PRO A 466 -4.163 4.834 -16.409 1.00 0.00 H new ATOM 0 HD3 PRO A 466 -4.772 3.209 -16.652 1.00 0.00 H new ATOM 486 N LEU A 467 0.039 3.697 -13.744 1.00 0.00 N ATOM 487 CA LEU A 467 0.864 4.309 -12.699 1.00 0.00 C ATOM 488 C LEU A 467 2.327 3.823 -12.735 1.00 0.00 C ATOM 489 O LEU A 467 2.661 2.871 -13.442 1.00 0.00 O ATOM 490 CB LEU A 467 0.230 4.054 -11.305 1.00 0.00 C ATOM 491 CG LEU A 467 0.392 2.630 -10.720 1.00 0.00 C ATOM 492 CD1 LEU A 467 0.187 2.670 -9.203 1.00 0.00 C ATOM 493 CD2 LEU A 467 -0.596 1.623 -11.321 1.00 0.00 C ATOM 0 H LEU A 467 0.447 2.838 -14.113 1.00 0.00 H new ATOM 0 HA LEU A 467 0.891 5.381 -12.892 1.00 0.00 H new ATOM 0 HB2 LEU A 467 0.662 4.763 -10.599 1.00 0.00 H new ATOM 0 HB3 LEU A 467 -0.835 4.277 -11.369 1.00 0.00 H new ATOM 0 HG LEU A 467 1.400 2.300 -10.972 1.00 0.00 H new ATOM 0 HD11 LEU A 467 0.302 1.666 -8.794 1.00 0.00 H new ATOM 0 HD12 LEU A 467 0.927 3.332 -8.753 1.00 0.00 H new ATOM 0 HD13 LEU A 467 -0.814 3.040 -8.981 1.00 0.00 H new ATOM 0 HD21 LEU A 467 -0.435 0.643 -10.872 1.00 0.00 H new ATOM 0 HD22 LEU A 467 -1.616 1.950 -11.121 1.00 0.00 H new ATOM 0 HD23 LEU A 467 -0.441 1.559 -12.398 1.00 0.00 H new ATOM 505 N VAL A 468 3.172 4.450 -11.915 1.00 0.00 N ATOM 506 CA VAL A 468 4.532 3.998 -11.566 1.00 0.00 C ATOM 507 C VAL A 468 4.709 4.110 -10.042 1.00 0.00 C ATOM 508 O VAL A 468 3.946 4.826 -9.393 1.00 0.00 O ATOM 509 CB VAL A 468 5.629 4.745 -12.371 1.00 0.00 C ATOM 510 CG1 VAL A 468 6.015 6.121 -11.834 1.00 0.00 C ATOM 511 CG2 VAL A 468 6.883 3.874 -12.521 1.00 0.00 C ATOM 0 H VAL A 468 2.923 5.325 -11.453 1.00 0.00 H new ATOM 0 HA VAL A 468 4.654 2.953 -11.852 1.00 0.00 H new ATOM 0 HB VAL A 468 5.172 4.931 -13.343 1.00 0.00 H new ATOM 0 HG11 VAL A 468 6.788 6.556 -12.468 1.00 0.00 H new ATOM 0 HG12 VAL A 468 5.139 6.770 -11.833 1.00 0.00 H new ATOM 0 HG13 VAL A 468 6.394 6.021 -10.817 1.00 0.00 H new ATOM 0 HG21 VAL A 468 7.638 4.418 -13.088 1.00 0.00 H new ATOM 0 HG22 VAL A 468 7.277 3.630 -11.534 1.00 0.00 H new ATOM 0 HG23 VAL A 468 6.626 2.954 -13.047 1.00 0.00 H new ATOM 521 N VAL A 469 5.675 3.395 -9.459 1.00 0.00 N ATOM 522 CA VAL A 469 5.858 3.281 -7.999 1.00 0.00 C ATOM 523 C VAL A 469 7.326 3.508 -7.625 1.00 0.00 C ATOM 524 O VAL A 469 8.227 2.975 -8.273 1.00 0.00 O ATOM 525 CB VAL A 469 5.369 1.905 -7.483 1.00 0.00 C ATOM 526 CG1 VAL A 469 5.572 1.754 -5.965 1.00 0.00 C ATOM 527 CG2 VAL A 469 3.876 1.700 -7.793 1.00 0.00 C ATOM 0 H VAL A 469 6.367 2.868 -9.992 1.00 0.00 H new ATOM 0 HA VAL A 469 5.255 4.052 -7.520 1.00 0.00 H new ATOM 0 HB VAL A 469 5.967 1.154 -7.999 1.00 0.00 H new ATOM 0 HG11 VAL A 469 5.215 0.775 -5.646 1.00 0.00 H new ATOM 0 HG12 VAL A 469 6.632 1.849 -5.728 1.00 0.00 H new ATOM 0 HG13 VAL A 469 5.013 2.531 -5.444 1.00 0.00 H new ATOM 0 HG21 VAL A 469 3.557 0.726 -7.420 1.00 0.00 H new ATOM 0 HG22 VAL A 469 3.293 2.483 -7.308 1.00 0.00 H new ATOM 0 HG23 VAL A 469 3.719 1.745 -8.871 1.00 0.00 H new ATOM 537 N ASP A 470 7.558 4.292 -6.568 1.00 0.00 N ATOM 538 CA ASP A 470 8.890 4.680 -6.089 1.00 0.00 C ATOM 539 C ASP A 470 8.901 5.009 -4.581 1.00 0.00 C ATOM 540 O ASP A 470 7.847 5.063 -3.947 1.00 0.00 O ATOM 541 CB ASP A 470 9.403 5.854 -6.950 1.00 0.00 C ATOM 542 CG ASP A 470 10.924 6.031 -6.857 1.00 0.00 C ATOM 543 OD1 ASP A 470 11.639 5.015 -7.017 1.00 0.00 O ATOM 544 OD2 ASP A 470 11.386 7.173 -6.630 1.00 0.00 O ATOM 0 H ASP A 470 6.804 4.686 -6.005 1.00 0.00 H new ATOM 0 HA ASP A 470 9.568 3.834 -6.200 1.00 0.00 H new ATOM 0 HB2 ASP A 470 9.123 5.687 -7.990 1.00 0.00 H new ATOM 0 HB3 ASP A 470 8.913 6.774 -6.632 1.00 0.00 H new ATOM 786 N GLY A 485 8.765 -0.489 4.448 1.00 0.00 N ATOM 787 CA GLY A 485 7.341 -0.861 4.536 1.00 0.00 C ATOM 788 C GLY A 485 6.370 0.180 3.967 1.00 0.00 C ATOM 789 O GLY A 485 5.180 0.131 4.277 1.00 0.00 O ATOM 0 HA2 GLY A 485 7.192 -1.803 4.008 1.00 0.00 H new ATOM 0 HA3 GLY A 485 7.090 -1.039 5.582 1.00 0.00 H new ATOM 793 N TYR A 486 6.847 1.111 3.134 1.00 0.00 N ATOM 794 CA TYR A 486 6.023 2.153 2.503 1.00 0.00 C ATOM 795 C TYR A 486 6.533 2.560 1.109 1.00 0.00 C ATOM 796 O TYR A 486 7.716 2.401 0.798 1.00 0.00 O ATOM 797 CB TYR A 486 5.891 3.374 3.434 1.00 0.00 C ATOM 798 CG TYR A 486 7.077 4.325 3.457 1.00 0.00 C ATOM 799 CD1 TYR A 486 7.164 5.364 2.507 1.00 0.00 C ATOM 800 CD2 TYR A 486 8.071 4.204 4.448 1.00 0.00 C ATOM 801 CE1 TYR A 486 8.233 6.276 2.545 1.00 0.00 C ATOM 802 CE2 TYR A 486 9.140 5.120 4.497 1.00 0.00 C ATOM 803 CZ TYR A 486 9.222 6.163 3.547 1.00 0.00 C ATOM 804 OH TYR A 486 10.249 7.057 3.586 1.00 0.00 O ATOM 0 H TYR A 486 7.832 1.164 2.874 1.00 0.00 H new ATOM 0 HA TYR A 486 5.033 1.725 2.346 1.00 0.00 H new ATOM 0 HB2 TYR A 486 5.005 3.937 3.140 1.00 0.00 H new ATOM 0 HB3 TYR A 486 5.718 3.015 4.449 1.00 0.00 H new ATOM 0 HD1 TYR A 486 6.404 5.459 1.745 1.00 0.00 H new ATOM 0 HD2 TYR A 486 8.013 3.406 5.173 1.00 0.00 H new ATOM 0 HE1 TYR A 486 8.298 7.063 1.808 1.00 0.00 H new ATOM 0 HE2 TYR A 486 9.897 5.025 5.261 1.00 0.00 H new ATOM 0 HH TYR A 486 10.842 6.841 4.336 1.00 0.00 H new ATOM 814 N ALA A 487 5.641 3.115 0.284 1.00 0.00 N ATOM 815 CA ALA A 487 5.929 3.587 -1.069 1.00 0.00 C ATOM 816 C ALA A 487 5.009 4.749 -1.477 1.00 0.00 C ATOM 817 O ALA A 487 3.992 5.017 -0.830 1.00 0.00 O ATOM 818 CB ALA A 487 5.811 2.400 -2.039 1.00 0.00 C ATOM 0 H ALA A 487 4.666 3.252 0.551 1.00 0.00 H new ATOM 0 HA ALA A 487 6.944 3.982 -1.103 1.00 0.00 H new ATOM 0 HB1 ALA A 487 6.023 2.737 -3.054 1.00 0.00 H new ATOM 0 HB2 ALA A 487 6.525 1.627 -1.756 1.00 0.00 H new ATOM 0 HB3 ALA A 487 4.800 1.994 -1.996 1.00 0.00 H new ATOM 824 N PHE A 488 5.364 5.408 -2.579 1.00 0.00 N ATOM 825 CA PHE A 488 4.576 6.433 -3.252 1.00 0.00 C ATOM 826 C PHE A 488 4.166 5.943 -4.645 1.00 0.00 C ATOM 827 O PHE A 488 5.007 5.647 -5.496 1.00 0.00 O ATOM 828 CB PHE A 488 5.384 7.733 -3.354 1.00 0.00 C ATOM 829 CG PHE A 488 5.492 8.508 -2.057 1.00 0.00 C ATOM 830 CD1 PHE A 488 4.478 9.416 -1.700 1.00 0.00 C ATOM 831 CD2 PHE A 488 6.613 8.351 -1.222 1.00 0.00 C ATOM 832 CE1 PHE A 488 4.606 10.196 -0.539 1.00 0.00 C ATOM 833 CE2 PHE A 488 6.728 9.116 -0.046 1.00 0.00 C ATOM 834 CZ PHE A 488 5.729 10.045 0.291 1.00 0.00 C ATOM 0 H PHE A 488 6.253 5.231 -3.047 1.00 0.00 H new ATOM 0 HA PHE A 488 3.674 6.631 -2.673 1.00 0.00 H new ATOM 0 HB2 PHE A 488 6.388 7.495 -3.705 1.00 0.00 H new ATOM 0 HB3 PHE A 488 4.926 8.373 -4.108 1.00 0.00 H new ATOM 0 HD1 PHE A 488 3.599 9.513 -2.320 1.00 0.00 H new ATOM 0 HD2 PHE A 488 7.386 7.643 -1.483 1.00 0.00 H new ATOM 0 HE1 PHE A 488 3.840 10.913 -0.284 1.00 0.00 H new ATOM 0 HE2 PHE A 488 7.585 8.989 0.598 1.00 0.00 H new ATOM 0 HZ PHE A 488 5.824 10.642 1.186 1.00 0.00 H new ATOM 844 N LEU A 489 2.853 5.895 -4.872 1.00 0.00 N ATOM 845 CA LEU A 489 2.232 5.679 -6.176 1.00 0.00 C ATOM 846 C LEU A 489 2.188 7.010 -6.925 1.00 0.00 C ATOM 847 O LEU A 489 1.860 8.037 -6.324 1.00 0.00 O ATOM 848 CB LEU A 489 0.788 5.170 -6.004 1.00 0.00 C ATOM 849 CG LEU A 489 0.552 4.053 -4.974 1.00 0.00 C ATOM 850 CD1 LEU A 489 -0.954 3.792 -4.900 1.00 0.00 C ATOM 851 CD2 LEU A 489 1.306 2.758 -5.300 1.00 0.00 C ATOM 0 H LEU A 489 2.169 6.010 -4.124 1.00 0.00 H new ATOM 0 HA LEU A 489 2.812 4.940 -6.728 1.00 0.00 H new ATOM 0 HB2 LEU A 489 0.161 6.019 -5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 489 0.438 4.815 -6.973 1.00 0.00 H new ATOM 0 HG LEU A 489 0.943 4.386 -4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 489 -1.151 3.002 -4.175 1.00 0.00 H new ATOM 0 HD12 LEU A 489 -1.467 4.703 -4.592 1.00 0.00 H new ATOM 0 HD13 LEU A 489 -1.319 3.484 -5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 489 1.096 2.012 -4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 489 0.982 2.383 -6.271 1.00 0.00 H new ATOM 0 HD23 LEU A 489 2.377 2.958 -5.327 1.00 0.00 H new ATOM 863 N LEU A 490 2.451 6.969 -8.230 1.00 0.00 N ATOM 864 CA LEU A 490 2.332 8.085 -9.166 1.00 0.00 C ATOM 865 C LEU A 490 1.418 7.647 -10.316 1.00 0.00 C ATOM 866 O LEU A 490 1.853 6.911 -11.208 1.00 0.00 O ATOM 867 CB LEU A 490 3.723 8.454 -9.717 1.00 0.00 C ATOM 868 CG LEU A 490 4.849 8.753 -8.713 1.00 0.00 C ATOM 869 CD1 LEU A 490 6.137 8.988 -9.516 1.00 0.00 C ATOM 870 CD2 LEU A 490 4.523 9.965 -7.835 1.00 0.00 C ATOM 0 H LEU A 490 2.769 6.114 -8.686 1.00 0.00 H new ATOM 0 HA LEU A 490 1.914 8.957 -8.663 1.00 0.00 H new ATOM 0 HB2 LEU A 490 4.056 7.636 -10.355 1.00 0.00 H new ATOM 0 HB3 LEU A 490 3.606 9.329 -10.356 1.00 0.00 H new ATOM 0 HG LEU A 490 4.969 7.908 -8.034 1.00 0.00 H new ATOM 0 HD11 LEU A 490 6.958 9.203 -8.832 1.00 0.00 H new ATOM 0 HD12 LEU A 490 6.372 8.095 -10.096 1.00 0.00 H new ATOM 0 HD13 LEU A 490 5.996 9.832 -10.191 1.00 0.00 H new ATOM 0 HD21 LEU A 490 5.344 10.142 -7.140 1.00 0.00 H new ATOM 0 HD22 LEU A 490 4.385 10.844 -8.465 1.00 0.00 H new ATOM 0 HD23 LEU A 490 3.608 9.773 -7.275 1.00 0.00 H new ATOM 882 N PHE A 491 0.154 8.068 -10.292 1.00 0.00 N ATOM 883 CA PHE A 491 -0.819 7.743 -11.338 1.00 0.00 C ATOM 884 C PHE A 491 -0.636 8.637 -12.575 1.00 0.00 C ATOM 885 O PHE A 491 -0.055 9.720 -12.501 1.00 0.00 O ATOM 886 CB PHE A 491 -2.241 7.825 -10.762 1.00 0.00 C ATOM 887 CG PHE A 491 -2.547 6.759 -9.720 1.00 0.00 C ATOM 888 CD1 PHE A 491 -3.047 5.500 -10.112 1.00 0.00 C ATOM 889 CD2 PHE A 491 -2.324 7.019 -8.353 1.00 0.00 C ATOM 890 CE1 PHE A 491 -3.314 4.514 -9.149 1.00 0.00 C ATOM 891 CE2 PHE A 491 -2.617 6.039 -7.388 1.00 0.00 C ATOM 892 CZ PHE A 491 -3.115 4.787 -7.785 1.00 0.00 C ATOM 0 H PHE A 491 -0.227 8.647 -9.544 1.00 0.00 H new ATOM 0 HA PHE A 491 -0.649 6.721 -11.677 1.00 0.00 H new ATOM 0 HB2 PHE A 491 -2.385 8.808 -10.314 1.00 0.00 H new ATOM 0 HB3 PHE A 491 -2.958 7.738 -11.578 1.00 0.00 H new ATOM 0 HD1 PHE A 491 -3.225 5.294 -11.157 1.00 0.00 H new ATOM 0 HD2 PHE A 491 -1.926 7.975 -8.045 1.00 0.00 H new ATOM 0 HE1 PHE A 491 -3.673 3.543 -9.457 1.00 0.00 H new ATOM 0 HE2 PHE A 491 -2.459 6.249 -6.341 1.00 0.00 H new ATOM 0 HZ PHE A 491 -3.344 4.036 -7.044 1.00 0.00 H new ATOM 902 N GLN A 492 -1.137 8.192 -13.729 1.00 0.00 N ATOM 903 CA GLN A 492 -1.062 8.948 -14.986 1.00 0.00 C ATOM 904 C GLN A 492 -2.249 9.907 -15.191 1.00 0.00 C ATOM 905 O GLN A 492 -2.162 10.814 -16.020 1.00 0.00 O ATOM 906 CB GLN A 492 -0.925 7.959 -16.153 1.00 0.00 C ATOM 907 CG GLN A 492 0.382 7.145 -16.102 1.00 0.00 C ATOM 908 CD GLN A 492 1.643 8.015 -16.142 1.00 0.00 C ATOM 909 OE1 GLN A 492 1.982 8.620 -17.152 1.00 0.00 O ATOM 910 NE2 GLN A 492 2.377 8.132 -15.052 1.00 0.00 N ATOM 0 H GLN A 492 -1.609 7.293 -13.821 1.00 0.00 H new ATOM 0 HA GLN A 492 -0.183 9.591 -14.941 1.00 0.00 H new ATOM 0 HB2 GLN A 492 -1.773 7.275 -16.144 1.00 0.00 H new ATOM 0 HB3 GLN A 492 -0.968 8.508 -17.094 1.00 0.00 H new ATOM 0 HG2 GLN A 492 0.392 6.545 -15.192 1.00 0.00 H new ATOM 0 HG3 GLN A 492 0.402 6.451 -16.942 1.00 0.00 H new ATOM 0 HE21 GLN A 492 2.110 7.636 -14.202 1.00 0.00 H new ATOM 0 HE22 GLN A 492 3.211 8.719 -15.060 1.00 0.00 H new ATOM 919 N GLU A 493 -3.319 9.766 -14.402 1.00 0.00 N ATOM 920 CA GLU A 493 -4.481 10.669 -14.361 1.00 0.00 C ATOM 921 C GLU A 493 -4.960 10.860 -12.911 1.00 0.00 C ATOM 922 O GLU A 493 -4.961 9.916 -12.120 1.00 0.00 O ATOM 923 CB GLU A 493 -5.633 10.123 -15.226 1.00 0.00 C ATOM 924 CG GLU A 493 -5.292 10.047 -16.721 1.00 0.00 C ATOM 925 CD GLU A 493 -6.522 9.662 -17.557 1.00 0.00 C ATOM 926 OE1 GLU A 493 -7.267 10.571 -17.996 1.00 0.00 O ATOM 927 OE2 GLU A 493 -6.740 8.453 -17.806 1.00 0.00 O ATOM 0 H GLU A 493 -3.406 8.989 -13.747 1.00 0.00 H new ATOM 0 HA GLU A 493 -4.173 11.634 -14.764 1.00 0.00 H new ATOM 0 HB2 GLU A 493 -5.903 9.128 -14.872 1.00 0.00 H new ATOM 0 HB3 GLU A 493 -6.509 10.757 -15.093 1.00 0.00 H new ATOM 0 HG2 GLU A 493 -4.908 11.010 -17.058 1.00 0.00 H new ATOM 0 HG3 GLU A 493 -4.500 9.315 -16.878 1.00 0.00 H new ATOM 934 N GLU A 494 -5.390 12.077 -12.551 1.00 0.00 N ATOM 935 CA GLU A 494 -5.919 12.380 -11.208 1.00 0.00 C ATOM 936 C GLU A 494 -7.202 11.589 -10.901 1.00 0.00 C ATOM 937 O GLU A 494 -7.441 11.196 -9.758 1.00 0.00 O ATOM 938 CB GLU A 494 -6.196 13.886 -11.060 1.00 0.00 C ATOM 939 CG GLU A 494 -4.921 14.734 -10.997 1.00 0.00 C ATOM 940 CD GLU A 494 -5.252 16.221 -10.827 1.00 0.00 C ATOM 941 OE1 GLU A 494 -5.366 16.683 -9.668 1.00 0.00 O ATOM 942 OE2 GLU A 494 -5.385 16.934 -11.850 1.00 0.00 O ATOM 0 H GLU A 494 -5.382 12.880 -13.179 1.00 0.00 H new ATOM 0 HA GLU A 494 -5.155 12.078 -10.492 1.00 0.00 H new ATOM 0 HB2 GLU A 494 -6.805 14.220 -11.900 1.00 0.00 H new ATOM 0 HB3 GLU A 494 -6.780 14.054 -10.155 1.00 0.00 H new ATOM 0 HG2 GLU A 494 -4.300 14.400 -10.166 1.00 0.00 H new ATOM 0 HG3 GLU A 494 -4.340 14.590 -11.908 1.00 0.00 H new ATOM 949 N SER A 495 -7.998 11.260 -11.920 1.00 0.00 N ATOM 950 CA SER A 495 -9.188 10.408 -11.790 1.00 0.00 C ATOM 951 C SER A 495 -8.866 9.004 -11.249 1.00 0.00 C ATOM 952 O SER A 495 -9.704 8.403 -10.579 1.00 0.00 O ATOM 953 CB SER A 495 -9.916 10.319 -13.139 1.00 0.00 C ATOM 954 OG SER A 495 -9.031 9.947 -14.190 1.00 0.00 O ATOM 0 H SER A 495 -7.834 11.581 -12.874 1.00 0.00 H new ATOM 0 HA SER A 495 -9.841 10.876 -11.053 1.00 0.00 H new ATOM 0 HB2 SER A 495 -10.725 9.591 -13.069 1.00 0.00 H new ATOM 0 HB3 SER A 495 -10.372 11.281 -13.371 1.00 0.00 H new ATOM 0 HG SER A 495 -9.527 9.898 -15.034 1.00 0.00 H new ATOM 960 N SER A 496 -7.637 8.504 -11.421 1.00 0.00 N ATOM 961 CA SER A 496 -7.187 7.251 -10.803 1.00 0.00 C ATOM 962 C SER A 496 -6.990 7.387 -9.284 1.00 0.00 C ATOM 963 O SER A 496 -7.207 6.423 -8.550 1.00 0.00 O ATOM 964 CB SER A 496 -5.871 6.786 -11.437 1.00 0.00 C ATOM 965 OG SER A 496 -5.955 6.670 -12.852 1.00 0.00 O ATOM 0 H SER A 496 -6.925 8.957 -11.994 1.00 0.00 H new ATOM 0 HA SER A 496 -7.971 6.515 -10.980 1.00 0.00 H new ATOM 0 HB2 SER A 496 -5.080 7.491 -11.181 1.00 0.00 H new ATOM 0 HB3 SER A 496 -5.589 5.822 -11.014 1.00 0.00 H new ATOM 0 HG SER A 496 -6.433 5.847 -13.085 1.00 0.00 H new ATOM 971 N VAL A 497 -6.656 8.586 -8.786 1.00 0.00 N ATOM 972 CA VAL A 497 -6.558 8.853 -7.340 1.00 0.00 C ATOM 973 C VAL A 497 -7.962 8.930 -6.730 1.00 0.00 C ATOM 974 O VAL A 497 -8.181 8.414 -5.637 1.00 0.00 O ATOM 975 CB VAL A 497 -5.742 10.130 -7.021 1.00 0.00 C ATOM 976 CG1 VAL A 497 -5.664 10.398 -5.508 1.00 0.00 C ATOM 977 CG2 VAL A 497 -4.314 10.006 -7.577 1.00 0.00 C ATOM 0 H VAL A 497 -6.447 9.396 -9.369 1.00 0.00 H new ATOM 0 HA VAL A 497 -6.013 8.024 -6.889 1.00 0.00 H new ATOM 0 HB VAL A 497 -6.259 10.964 -7.496 1.00 0.00 H new ATOM 0 HG11 VAL A 497 -5.083 11.303 -5.328 1.00 0.00 H new ATOM 0 HG12 VAL A 497 -6.670 10.528 -5.109 1.00 0.00 H new ATOM 0 HG13 VAL A 497 -5.184 9.554 -5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 497 -3.753 10.911 -7.345 1.00 0.00 H new ATOM 0 HG22 VAL A 497 -3.820 9.147 -7.123 1.00 0.00 H new ATOM 0 HG23 VAL A 497 -4.355 9.872 -8.658 1.00 0.00 H new ATOM 987 N GLN A 498 -8.938 9.494 -7.450 1.00 0.00 N ATOM 988 CA GLN A 498 -10.330 9.502 -6.993 1.00 0.00 C ATOM 989 C GLN A 498 -10.972 8.112 -7.072 1.00 0.00 C ATOM 990 O GLN A 498 -11.725 7.746 -6.174 1.00 0.00 O ATOM 991 CB GLN A 498 -11.124 10.541 -7.799 1.00 0.00 C ATOM 992 CG GLN A 498 -12.560 10.784 -7.292 1.00 0.00 C ATOM 993 CD GLN A 498 -12.678 11.357 -5.872 1.00 0.00 C ATOM 994 OE1 GLN A 498 -11.723 11.508 -5.124 1.00 0.00 O ATOM 995 NE2 GLN A 498 -13.866 11.717 -5.441 1.00 0.00 N ATOM 0 H GLN A 498 -8.789 9.950 -8.350 1.00 0.00 H new ATOM 0 HA GLN A 498 -10.347 9.782 -5.940 1.00 0.00 H new ATOM 0 HB2 GLN A 498 -10.582 11.486 -7.782 1.00 0.00 H new ATOM 0 HB3 GLN A 498 -11.169 10.218 -8.839 1.00 0.00 H new ATOM 0 HG2 GLN A 498 -13.058 11.466 -7.981 1.00 0.00 H new ATOM 0 HG3 GLN A 498 -13.103 9.840 -7.329 1.00 0.00 H new ATOM 0 HE21 GLN A 498 -14.682 11.604 -6.042 1.00 0.00 H new ATOM 0 HE22 GLN A 498 -13.972 12.110 -4.506 1.00 0.00 H new ATOM 1004 N ALA A 499 -10.635 7.306 -8.085 1.00 0.00 N ATOM 1005 CA ALA A 499 -11.044 5.899 -8.158 1.00 0.00 C ATOM 1006 C ALA A 499 -10.504 5.073 -6.977 1.00 0.00 C ATOM 1007 O ALA A 499 -11.227 4.234 -6.435 1.00 0.00 O ATOM 1008 CB ALA A 499 -10.584 5.298 -9.490 1.00 0.00 C ATOM 0 H ALA A 499 -10.071 7.611 -8.878 1.00 0.00 H new ATOM 0 HA ALA A 499 -12.132 5.864 -8.097 1.00 0.00 H new ATOM 0 HB1 ALA A 499 -10.889 4.253 -9.542 1.00 0.00 H new ATOM 0 HB2 ALA A 499 -11.037 5.850 -10.314 1.00 0.00 H new ATOM 0 HB3 ALA A 499 -9.498 5.363 -9.563 1.00 0.00 H new ATOM 1014 N LEU A 500 -9.265 5.343 -6.545 1.00 0.00 N ATOM 1015 CA LEU A 500 -8.692 4.773 -5.326 1.00 0.00 C ATOM 1016 C LEU A 500 -9.468 5.239 -4.084 1.00 0.00 C ATOM 1017 O LEU A 500 -9.889 4.405 -3.286 1.00 0.00 O ATOM 1018 CB LEU A 500 -7.186 5.103 -5.280 1.00 0.00 C ATOM 1019 CG LEU A 500 -6.470 4.780 -3.953 1.00 0.00 C ATOM 1020 CD1 LEU A 500 -6.632 3.321 -3.524 1.00 0.00 C ATOM 1021 CD2 LEU A 500 -4.975 5.080 -4.109 1.00 0.00 C ATOM 0 H LEU A 500 -8.629 5.969 -7.039 1.00 0.00 H new ATOM 0 HA LEU A 500 -8.787 3.687 -5.331 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -6.689 4.557 -6.082 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -7.059 6.165 -5.491 1.00 0.00 H new ATOM 0 HG LEU A 500 -6.928 5.400 -3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -6.106 3.158 -2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -7.690 3.096 -3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -6.216 2.668 -4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -4.459 4.855 -3.175 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -4.562 4.465 -4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -4.839 6.133 -4.354 1.00 0.00 H new ATOM 1033 N ILE A 501 -9.722 6.543 -3.939 1.00 0.00 N ATOM 1034 CA ILE A 501 -10.513 7.115 -2.828 1.00 0.00 C ATOM 1035 C ILE A 501 -11.913 6.479 -2.742 1.00 0.00 C ATOM 1036 O ILE A 501 -12.363 6.134 -1.650 1.00 0.00 O ATOM 1037 CB ILE A 501 -10.572 8.659 -2.960 1.00 0.00 C ATOM 1038 CG1 ILE A 501 -9.181 9.280 -2.685 1.00 0.00 C ATOM 1039 CG2 ILE A 501 -11.617 9.274 -2.009 1.00 0.00 C ATOM 1040 CD1 ILE A 501 -9.011 10.719 -3.186 1.00 0.00 C ATOM 0 H ILE A 501 -9.383 7.246 -4.595 1.00 0.00 H new ATOM 0 HA ILE A 501 -10.016 6.879 -1.887 1.00 0.00 H new ATOM 0 HB ILE A 501 -10.873 8.886 -3.983 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -8.995 9.259 -1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -8.420 8.655 -3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -11.628 10.357 -2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -12.603 8.872 -2.243 1.00 0.00 H new ATOM 0 HG23 ILE A 501 -11.360 9.028 -0.979 1.00 0.00 H new ATOM 0 HD11 ILE A 501 -8.007 11.070 -2.949 1.00 0.00 H new ATOM 0 HD12 ILE A 501 -9.161 10.749 -4.265 1.00 0.00 H new ATOM 0 HD13 ILE A 501 -9.744 11.362 -2.700 1.00 0.00 H new ATOM 1052 N ASP A 502 -12.576 6.258 -3.878 1.00 0.00 N ATOM 1053 CA ASP A 502 -13.902 5.630 -3.968 1.00 0.00 C ATOM 1054 C ASP A 502 -13.903 4.128 -3.605 1.00 0.00 C ATOM 1055 O ASP A 502 -14.952 3.581 -3.259 1.00 0.00 O ATOM 1056 CB ASP A 502 -14.455 5.864 -5.384 1.00 0.00 C ATOM 1057 CG ASP A 502 -15.913 5.398 -5.539 1.00 0.00 C ATOM 1058 OD1 ASP A 502 -16.810 6.017 -4.919 1.00 0.00 O ATOM 1059 OD2 ASP A 502 -16.161 4.440 -6.310 1.00 0.00 O ATOM 0 H ASP A 502 -12.197 6.517 -4.789 1.00 0.00 H new ATOM 0 HA ASP A 502 -14.547 6.098 -3.224 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -14.390 6.925 -5.624 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -13.831 5.336 -6.105 1.00 0.00 H new ATOM 1064 N ALA A 503 -12.736 3.470 -3.624 1.00 0.00 N ATOM 1065 CA ALA A 503 -12.548 2.078 -3.207 1.00 0.00 C ATOM 1066 C ALA A 503 -12.002 1.940 -1.771 1.00 0.00 C ATOM 1067 O ALA A 503 -12.045 0.845 -1.202 1.00 0.00 O ATOM 1068 CB ALA A 503 -11.619 1.403 -4.220 1.00 0.00 C ATOM 0 H ALA A 503 -11.871 3.908 -3.940 1.00 0.00 H new ATOM 0 HA ALA A 503 -13.521 1.587 -3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -11.462 0.363 -3.933 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -12.072 1.441 -5.211 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -10.661 1.923 -4.238 1.00 0.00 H new ATOM 1074 N CYS A 504 -11.505 3.027 -1.170 1.00 0.00 N ATOM 1075 CA CYS A 504 -10.916 3.019 0.166 1.00 0.00 C ATOM 1076 C CYS A 504 -11.957 2.940 1.298 1.00 0.00 C ATOM 1077 O CYS A 504 -13.055 3.500 1.220 1.00 0.00 O ATOM 1078 CB CYS A 504 -10.056 4.278 0.357 1.00 0.00 C ATOM 1079 SG CYS A 504 -8.461 4.121 -0.492 1.00 0.00 S ATOM 0 H CYS A 504 -11.503 3.948 -1.608 1.00 0.00 H new ATOM 0 HA CYS A 504 -10.309 2.116 0.231 1.00 0.00 H new ATOM 0 HB2 CYS A 504 -10.590 5.148 -0.026 1.00 0.00 H new ATOM 0 HB3 CYS A 504 -9.889 4.449 1.420 1.00 0.00 H new ATOM 0 HG CYS A 504 -8.642 4.214 -1.776 1.00 0.00 H new ATOM 1085 N LEU A 505 -11.554 2.273 2.379 1.00 0.00 N ATOM 1086 CA LEU A 505 -12.199 2.305 3.693 1.00 0.00 C ATOM 1087 C LEU A 505 -11.679 3.544 4.442 1.00 0.00 C ATOM 1088 O LEU A 505 -10.786 4.240 3.954 1.00 0.00 O ATOM 1089 CB LEU A 505 -11.864 1.007 4.460 1.00 0.00 C ATOM 1090 CG LEU A 505 -12.366 -0.286 3.791 1.00 0.00 C ATOM 1091 CD1 LEU A 505 -11.823 -1.504 4.553 1.00 0.00 C ATOM 1092 CD2 LEU A 505 -13.900 -0.353 3.730 1.00 0.00 C ATOM 0 H LEU A 505 -10.733 1.668 2.363 1.00 0.00 H new ATOM 0 HA LEU A 505 -13.283 2.367 3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 505 -10.783 0.941 4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 505 -12.292 1.072 5.460 1.00 0.00 H new ATOM 0 HG LEU A 505 -11.999 -0.289 2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 505 -12.179 -2.418 4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 505 -10.733 -1.487 4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 505 -12.171 -1.472 5.586 1.00 0.00 H new ATOM 0 HD21 LEU A 505 -14.205 -1.283 3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 505 -14.306 -0.316 4.741 1.00 0.00 H new ATOM 0 HD23 LEU A 505 -14.279 0.493 3.156 1.00 0.00 H new ATOM 1104 N GLU A 506 -12.194 3.808 5.641 1.00 0.00 N ATOM 1105 CA GLU A 506 -11.795 4.964 6.452 1.00 0.00 C ATOM 1106 C GLU A 506 -11.799 4.625 7.951 1.00 0.00 C ATOM 1107 O GLU A 506 -12.789 4.110 8.476 1.00 0.00 O ATOM 1108 CB GLU A 506 -12.703 6.166 6.135 1.00 0.00 C ATOM 1109 CG GLU A 506 -12.176 7.473 6.741 1.00 0.00 C ATOM 1110 CD GLU A 506 -13.139 8.637 6.461 1.00 0.00 C ATOM 1111 OE1 GLU A 506 -14.112 8.819 7.231 1.00 0.00 O ATOM 1112 OE2 GLU A 506 -12.927 9.383 5.477 1.00 0.00 O ATOM 0 H GLU A 506 -12.904 3.224 6.083 1.00 0.00 H new ATOM 0 HA GLU A 506 -10.771 5.234 6.195 1.00 0.00 H new ATOM 0 HB2 GLU A 506 -12.788 6.278 5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 506 -13.706 5.971 6.515 1.00 0.00 H new ATOM 0 HG2 GLU A 506 -12.047 7.353 7.817 1.00 0.00 H new ATOM 0 HG3 GLU A 506 -11.194 7.701 6.326 1.00 0.00 H new ATOM 1175 N LEU A 511 -7.489 6.986 5.165 1.00 0.00 N ATOM 1176 CA LEU A 511 -8.010 5.999 4.212 1.00 0.00 C ATOM 1177 C LEU A 511 -7.203 4.695 4.249 1.00 0.00 C ATOM 1178 O LEU A 511 -6.021 4.692 4.591 1.00 0.00 O ATOM 1179 CB LEU A 511 -8.046 6.608 2.797 1.00 0.00 C ATOM 1180 CG LEU A 511 -8.997 7.808 2.606 1.00 0.00 C ATOM 1181 CD1 LEU A 511 -8.898 8.298 1.154 1.00 0.00 C ATOM 1182 CD2 LEU A 511 -10.459 7.466 2.931 1.00 0.00 C ATOM 0 HA LEU A 511 -9.028 5.741 4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 511 -7.037 6.923 2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 511 -8.332 5.827 2.093 1.00 0.00 H new ATOM 0 HG LEU A 511 -8.687 8.586 3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 511 -9.567 9.146 1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 511 -7.873 8.604 0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 511 -9.183 7.492 0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 511 -11.081 8.348 2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 511 -10.799 6.664 2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 511 -10.535 7.143 3.969 1.00 0.00 H new ATOM 1194 N TYR A 512 -7.839 3.584 3.872 1.00 0.00 N ATOM 1195 CA TYR A 512 -7.242 2.240 3.876 1.00 0.00 C ATOM 1196 C TYR A 512 -7.711 1.370 2.696 1.00 0.00 C ATOM 1197 O TYR A 512 -8.850 1.483 2.244 1.00 0.00 O ATOM 1198 CB TYR A 512 -7.526 1.533 5.215 1.00 0.00 C ATOM 1199 CG TYR A 512 -6.724 2.062 6.391 1.00 0.00 C ATOM 1200 CD1 TYR A 512 -7.190 3.163 7.135 1.00 0.00 C ATOM 1201 CD2 TYR A 512 -5.497 1.458 6.730 1.00 0.00 C ATOM 1202 CE1 TYR A 512 -6.419 3.686 8.190 1.00 0.00 C ATOM 1203 CE2 TYR A 512 -4.728 1.966 7.794 1.00 0.00 C ATOM 1204 CZ TYR A 512 -5.182 3.088 8.522 1.00 0.00 C ATOM 1205 OH TYR A 512 -4.428 3.591 9.539 1.00 0.00 O ATOM 0 H TYR A 512 -8.806 3.590 3.547 1.00 0.00 H new ATOM 0 HA TYR A 512 -6.167 2.372 3.756 1.00 0.00 H new ATOM 0 HB2 TYR A 512 -8.587 1.629 5.443 1.00 0.00 H new ATOM 0 HB3 TYR A 512 -7.319 0.469 5.100 1.00 0.00 H new ATOM 0 HD1 TYR A 512 -8.144 3.608 6.895 1.00 0.00 H new ATOM 0 HD2 TYR A 512 -5.145 0.603 6.172 1.00 0.00 H new ATOM 0 HE1 TYR A 512 -6.772 4.543 8.745 1.00 0.00 H new ATOM 0 HE2 TYR A 512 -3.790 1.498 8.054 1.00 0.00 H new ATOM 0 HH TYR A 512 -3.742 2.938 9.792 1.00 0.00 H new ATOM 1215 N LEU A 513 -6.846 0.466 2.223 1.00 0.00 N ATOM 1216 CA LEU A 513 -7.113 -0.474 1.123 1.00 0.00 C ATOM 1217 C LEU A 513 -6.499 -1.848 1.440 1.00 0.00 C ATOM 1218 O LEU A 513 -5.562 -1.926 2.232 1.00 0.00 O ATOM 1219 CB LEU A 513 -6.514 0.109 -0.176 1.00 0.00 C ATOM 1220 CG LEU A 513 -7.174 -0.436 -1.458 1.00 0.00 C ATOM 1221 CD1 LEU A 513 -8.491 0.311 -1.725 1.00 0.00 C ATOM 1222 CD2 LEU A 513 -6.254 -0.278 -2.667 1.00 0.00 C ATOM 0 H LEU A 513 -5.907 0.363 2.608 1.00 0.00 H new ATOM 0 HA LEU A 513 -8.187 -0.610 0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -6.615 1.194 -0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 513 -5.447 -0.111 -0.205 1.00 0.00 H new ATOM 0 HG LEU A 513 -7.370 -1.498 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -8.953 -0.079 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -9.168 0.167 -0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 513 -8.287 1.375 -1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -6.749 -0.672 -3.555 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -6.027 0.778 -2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -5.328 -0.827 -2.494 1.00 0.00 H new ATOM 1234 N CYS A 514 -6.989 -2.925 0.820 1.00 0.00 N ATOM 1235 CA CYS A 514 -6.477 -4.289 1.008 1.00 0.00 C ATOM 1236 C CYS A 514 -5.456 -4.690 -0.079 1.00 0.00 C ATOM 1237 O CYS A 514 -5.690 -4.446 -1.267 1.00 0.00 O ATOM 1238 CB CYS A 514 -7.667 -5.260 1.063 1.00 0.00 C ATOM 1239 SG CYS A 514 -8.695 -4.879 2.515 1.00 0.00 S ATOM 0 H CYS A 514 -7.766 -2.875 0.161 1.00 0.00 H new ATOM 0 HA CYS A 514 -5.931 -4.333 1.950 1.00 0.00 H new ATOM 0 HB2 CYS A 514 -8.260 -5.177 0.152 1.00 0.00 H new ATOM 0 HB3 CYS A 514 -7.309 -6.288 1.117 1.00 0.00 H new ATOM 0 HG CYS A 514 -9.703 -5.699 2.560 1.00 0.00 H new ATOM 1245 N VAL A 515 -4.359 -5.338 0.328 1.00 0.00 N ATOM 1246 CA VAL A 515 -3.276 -5.881 -0.530 1.00 0.00 C ATOM 1247 C VAL A 515 -2.703 -7.177 0.081 1.00 0.00 C ATOM 1248 O VAL A 515 -3.106 -7.573 1.173 1.00 0.00 O ATOM 1249 CB VAL A 515 -2.136 -4.855 -0.780 1.00 0.00 C ATOM 1250 CG1 VAL A 515 -2.627 -3.567 -1.462 1.00 0.00 C ATOM 1251 CG2 VAL A 515 -1.372 -4.500 0.508 1.00 0.00 C ATOM 0 H VAL A 515 -4.184 -5.512 1.318 1.00 0.00 H new ATOM 0 HA VAL A 515 -3.723 -6.103 -1.499 1.00 0.00 H new ATOM 0 HB VAL A 515 -1.451 -5.357 -1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -1.786 -2.890 -1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -3.069 -3.812 -2.428 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -3.375 -3.084 -0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 515 -0.587 -3.780 0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -2.062 -4.066 1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -0.926 -5.402 0.927 1.00 0.00 H new ATOM 1261 N SER A 516 -1.753 -7.839 -0.584 1.00 0.00 N ATOM 1262 CA SER A 516 -1.147 -9.101 -0.119 1.00 0.00 C ATOM 1263 C SER A 516 0.186 -9.438 -0.820 1.00 0.00 C ATOM 1264 O SER A 516 0.562 -8.831 -1.824 1.00 0.00 O ATOM 1265 CB SER A 516 -2.146 -10.267 -0.276 1.00 0.00 C ATOM 1266 OG SER A 516 -2.538 -10.468 -1.630 1.00 0.00 O ATOM 0 H SER A 516 -1.374 -7.514 -1.473 1.00 0.00 H new ATOM 0 HA SER A 516 -0.912 -8.958 0.936 1.00 0.00 H new ATOM 0 HB2 SER A 516 -1.695 -11.182 0.108 1.00 0.00 H new ATOM 0 HB3 SER A 516 -3.030 -10.068 0.330 1.00 0.00 H new ATOM 0 HG SER A 516 -3.169 -11.216 -1.680 1.00 0.00 H new ATOM 1272 N SER A 517 0.904 -10.429 -0.290 1.00 0.00 N ATOM 1273 CA SER A 517 2.171 -10.964 -0.809 1.00 0.00 C ATOM 1274 C SER A 517 2.193 -12.511 -0.707 1.00 0.00 C ATOM 1275 O SER A 517 1.189 -13.107 -0.287 1.00 0.00 O ATOM 1276 CB SER A 517 3.322 -10.330 -0.004 1.00 0.00 C ATOM 1277 OG SER A 517 3.407 -10.916 1.288 1.00 0.00 O ATOM 0 H SER A 517 0.604 -10.908 0.559 1.00 0.00 H new ATOM 0 HA SER A 517 2.284 -10.715 -1.864 1.00 0.00 H new ATOM 0 HB2 SER A 517 4.264 -10.468 -0.535 1.00 0.00 H new ATOM 0 HB3 SER A 517 3.161 -9.256 0.087 1.00 0.00 H new ATOM 0 HG SER A 517 4.341 -11.139 1.485 1.00 0.00 H new ATOM 1283 N PRO A 518 3.306 -13.195 -1.048 1.00 0.00 N ATOM 1284 CA PRO A 518 3.482 -14.625 -0.780 1.00 0.00 C ATOM 1285 C PRO A 518 3.573 -14.979 0.715 1.00 0.00 C ATOM 1286 O PRO A 518 3.492 -16.163 1.051 1.00 0.00 O ATOM 1287 CB PRO A 518 4.770 -15.033 -1.509 1.00 0.00 C ATOM 1288 CG PRO A 518 4.952 -13.951 -2.570 1.00 0.00 C ATOM 1289 CD PRO A 518 4.418 -12.715 -1.853 1.00 0.00 C ATOM 0 HA PRO A 518 2.605 -15.166 -1.134 1.00 0.00 H new ATOM 0 HB2 PRO A 518 5.620 -15.071 -0.827 1.00 0.00 H new ATOM 0 HB3 PRO A 518 4.678 -16.022 -1.959 1.00 0.00 H new ATOM 0 HG2 PRO A 518 5.996 -13.835 -2.861 1.00 0.00 H new ATOM 0 HG3 PRO A 518 4.391 -14.171 -3.478 1.00 0.00 H new ATOM 0 HD2 PRO A 518 5.187 -12.257 -1.230 1.00 0.00 H new ATOM 0 HD3 PRO A 518 4.091 -11.957 -2.565 1.00 0.00 H new ATOM 1297 N THR A 519 3.742 -13.987 1.608 1.00 0.00 N ATOM 1298 CA THR A 519 3.993 -14.180 3.047 1.00 0.00 C ATOM 1299 C THR A 519 2.918 -13.572 3.944 1.00 0.00 C ATOM 1300 O THR A 519 2.665 -14.117 5.018 1.00 0.00 O ATOM 1301 CB THR A 519 5.365 -13.613 3.437 1.00 0.00 C ATOM 1302 OG1 THR A 519 5.448 -12.257 3.053 1.00 0.00 O ATOM 1303 CG2 THR A 519 6.512 -14.372 2.766 1.00 0.00 C ATOM 0 H THR A 519 3.707 -13.003 1.341 1.00 0.00 H new ATOM 0 HA THR A 519 3.970 -15.258 3.209 1.00 0.00 H new ATOM 0 HB THR A 519 5.461 -13.720 4.518 1.00 0.00 H new ATOM 0 HG1 THR A 519 6.325 -11.899 3.305 1.00 0.00 H new ATOM 0 HG21 THR A 519 7.464 -13.937 3.071 1.00 0.00 H new ATOM 0 HG22 THR A 519 6.480 -15.419 3.066 1.00 0.00 H new ATOM 0 HG23 THR A 519 6.411 -14.301 1.683 1.00 0.00 H new ATOM 1311 N ILE A 520 2.251 -12.496 3.513 1.00 0.00 N ATOM 1312 CA ILE A 520 1.243 -11.752 4.289 1.00 0.00 C ATOM 1313 C ILE A 520 -0.029 -11.591 3.456 1.00 0.00 C ATOM 1314 O ILE A 520 0.000 -11.124 2.316 1.00 0.00 O ATOM 1315 CB ILE A 520 1.797 -10.372 4.721 1.00 0.00 C ATOM 1316 CG1 ILE A 520 3.179 -10.394 5.416 1.00 0.00 C ATOM 1317 CG2 ILE A 520 0.789 -9.637 5.619 1.00 0.00 C ATOM 1318 CD1 ILE A 520 3.241 -11.098 6.778 1.00 0.00 C ATOM 0 H ILE A 520 2.400 -12.103 2.584 1.00 0.00 H new ATOM 0 HA ILE A 520 1.004 -12.313 5.193 1.00 0.00 H new ATOM 0 HB ILE A 520 1.947 -9.840 3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 520 3.891 -10.878 4.747 1.00 0.00 H new ATOM 0 HG13 ILE A 520 3.513 -9.365 5.547 1.00 0.00 H new ATOM 0 HG21 ILE A 520 1.199 -8.670 5.911 1.00 0.00 H new ATOM 0 HG22 ILE A 520 -0.142 -9.487 5.073 1.00 0.00 H new ATOM 0 HG23 ILE A 520 0.595 -10.233 6.511 1.00 0.00 H new ATOM 0 HD11 ILE A 520 4.258 -11.049 7.167 1.00 0.00 H new ATOM 0 HD12 ILE A 520 2.563 -10.604 7.474 1.00 0.00 H new ATOM 0 HD13 ILE A 520 2.946 -12.141 6.662 1.00 0.00 H new ATOM 1330 N LYS A 521 -1.161 -11.992 4.034 1.00 0.00 N ATOM 1331 CA LYS A 521 -2.443 -12.138 3.342 1.00 0.00 C ATOM 1332 C LYS A 521 -3.512 -11.180 3.909 1.00 0.00 C ATOM 1333 O LYS A 521 -3.564 -10.956 5.121 1.00 0.00 O ATOM 1334 CB LYS A 521 -2.885 -13.609 3.475 1.00 0.00 C ATOM 1335 CG LYS A 521 -1.855 -14.699 3.105 1.00 0.00 C ATOM 1336 CD LYS A 521 -1.133 -14.564 1.755 1.00 0.00 C ATOM 1337 CE LYS A 521 -2.078 -14.503 0.550 1.00 0.00 C ATOM 1338 NZ LYS A 521 -1.305 -14.491 -0.720 1.00 0.00 N ATOM 0 H LYS A 521 -1.214 -12.231 5.024 1.00 0.00 H new ATOM 0 HA LYS A 521 -2.325 -11.873 2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 521 -3.195 -13.775 4.507 1.00 0.00 H new ATOM 0 HB3 LYS A 521 -3.767 -13.753 2.850 1.00 0.00 H new ATOM 0 HG2 LYS A 521 -1.099 -14.727 3.890 1.00 0.00 H new ATOM 0 HG3 LYS A 521 -2.365 -15.662 3.119 1.00 0.00 H new ATOM 0 HD2 LYS A 521 -0.520 -13.663 1.770 1.00 0.00 H new ATOM 0 HD3 LYS A 521 -0.455 -15.408 1.630 1.00 0.00 H new ATOM 0 HE2 LYS A 521 -2.751 -15.360 0.565 1.00 0.00 H new ATOM 0 HE3 LYS A 521 -2.699 -13.609 0.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 521 -1.857 -14.009 -1.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 521 -0.407 -13.987 -0.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 521 -1.110 -15.468 -1.017 1.00 0.00 H new ATOM 1352 N ASP A 522 -4.357 -10.617 3.032 1.00 0.00 N ATOM 1353 CA ASP A 522 -5.502 -9.732 3.391 1.00 0.00 C ATOM 1354 C ASP A 522 -5.073 -8.480 4.200 1.00 0.00 C ATOM 1355 O ASP A 522 -5.807 -7.985 5.057 1.00 0.00 O ATOM 1356 CB ASP A 522 -6.601 -10.551 4.103 1.00 0.00 C ATOM 1357 CG ASP A 522 -7.121 -11.709 3.239 1.00 0.00 C ATOM 1358 OD1 ASP A 522 -7.850 -11.441 2.254 1.00 0.00 O ATOM 1359 OD2 ASP A 522 -6.810 -12.884 3.552 1.00 0.00 O ATOM 0 H ASP A 522 -4.270 -10.761 2.026 1.00 0.00 H new ATOM 0 HA ASP A 522 -5.918 -9.336 2.464 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -6.206 -10.948 5.038 1.00 0.00 H new ATOM 0 HB3 ASP A 522 -7.431 -9.893 4.361 1.00 0.00 H new ATOM 1364 N LYS A 523 -3.864 -7.967 3.947 1.00 0.00 N ATOM 1365 CA LYS A 523 -3.272 -6.846 4.682 1.00 0.00 C ATOM 1366 C LYS A 523 -3.986 -5.512 4.363 1.00 0.00 C ATOM 1367 O LYS A 523 -4.078 -5.164 3.177 1.00 0.00 O ATOM 1368 CB LYS A 523 -1.777 -6.751 4.320 1.00 0.00 C ATOM 1369 CG LYS A 523 -1.007 -5.702 5.142 1.00 0.00 C ATOM 1370 CD LYS A 523 -0.715 -6.139 6.585 1.00 0.00 C ATOM 1371 CE LYS A 523 0.086 -5.043 7.297 1.00 0.00 C ATOM 1372 NZ LYS A 523 0.378 -5.394 8.712 1.00 0.00 N ATOM 0 H LYS A 523 -3.258 -8.328 3.210 1.00 0.00 H new ATOM 0 HA LYS A 523 -3.390 -7.027 5.750 1.00 0.00 H new ATOM 0 HB2 LYS A 523 -1.314 -7.727 4.467 1.00 0.00 H new ATOM 0 HB3 LYS A 523 -1.683 -6.510 3.261 1.00 0.00 H new ATOM 0 HG2 LYS A 523 -0.064 -5.482 4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 523 -1.582 -4.776 5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 523 -1.648 -6.326 7.116 1.00 0.00 H new ATOM 0 HD3 LYS A 523 -0.155 -7.074 6.587 1.00 0.00 H new ATOM 0 HE2 LYS A 523 1.022 -4.875 6.765 1.00 0.00 H new ATOM 0 HE3 LYS A 523 -0.472 -4.107 7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 523 0.921 -4.626 9.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 523 -0.515 -5.529 9.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 523 0.933 -6.273 8.744 1.00 0.00 H new ATOM 1386 N PRO A 524 -4.430 -4.739 5.375 1.00 0.00 N ATOM 1387 CA PRO A 524 -4.903 -3.379 5.191 1.00 0.00 C ATOM 1388 C PRO A 524 -3.690 -2.436 5.181 1.00 0.00 C ATOM 1389 O PRO A 524 -2.856 -2.477 6.085 1.00 0.00 O ATOM 1390 CB PRO A 524 -5.844 -3.115 6.367 1.00 0.00 C ATOM 1391 CG PRO A 524 -5.273 -3.975 7.496 1.00 0.00 C ATOM 1392 CD PRO A 524 -4.501 -5.094 6.788 1.00 0.00 C ATOM 0 HA PRO A 524 -5.431 -3.220 4.251 1.00 0.00 H new ATOM 0 HB2 PRO A 524 -5.859 -2.059 6.638 1.00 0.00 H new ATOM 0 HB3 PRO A 524 -6.870 -3.398 6.129 1.00 0.00 H new ATOM 0 HG2 PRO A 524 -4.618 -3.392 8.144 1.00 0.00 H new ATOM 0 HG3 PRO A 524 -6.066 -4.379 8.125 1.00 0.00 H new ATOM 0 HD2 PRO A 524 -3.501 -5.198 7.210 1.00 0.00 H new ATOM 0 HD3 PRO A 524 -5.004 -6.052 6.920 1.00 0.00 H new ATOM 1400 N VAL A 525 -3.597 -1.592 4.156 1.00 0.00 N ATOM 1401 CA VAL A 525 -2.541 -0.580 3.983 1.00 0.00 C ATOM 1402 C VAL A 525 -3.134 0.823 4.033 1.00 0.00 C ATOM 1403 O VAL A 525 -4.207 1.068 3.484 1.00 0.00 O ATOM 1404 CB VAL A 525 -1.728 -0.779 2.683 1.00 0.00 C ATOM 1405 CG1 VAL A 525 -0.749 -1.944 2.877 1.00 0.00 C ATOM 1406 CG2 VAL A 525 -2.580 -1.010 1.420 1.00 0.00 C ATOM 0 H VAL A 525 -4.275 -1.588 3.394 1.00 0.00 H new ATOM 0 HA VAL A 525 -1.844 -0.706 4.812 1.00 0.00 H new ATOM 0 HB VAL A 525 -1.199 0.158 2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -0.172 -2.090 1.964 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -0.073 -1.718 3.701 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -1.306 -2.853 3.104 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -1.925 -1.139 0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -3.189 -1.905 1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -3.229 -0.150 1.257 1.00 0.00 H new ATOM 1416 N GLN A 526 -2.442 1.728 4.724 1.00 0.00 N ATOM 1417 CA GLN A 526 -2.848 3.116 4.933 1.00 0.00 C ATOM 1418 C GLN A 526 -2.587 3.924 3.659 1.00 0.00 C ATOM 1419 O GLN A 526 -1.464 3.943 3.161 1.00 0.00 O ATOM 1420 CB GLN A 526 -2.055 3.682 6.122 1.00 0.00 C ATOM 1421 CG GLN A 526 -2.536 5.080 6.539 1.00 0.00 C ATOM 1422 CD GLN A 526 -1.677 5.640 7.671 1.00 0.00 C ATOM 1423 OE1 GLN A 526 -0.787 6.454 7.464 1.00 0.00 O ATOM 1424 NE2 GLN A 526 -1.896 5.225 8.902 1.00 0.00 N ATOM 0 H GLN A 526 -1.552 1.506 5.169 1.00 0.00 H new ATOM 0 HA GLN A 526 -3.913 3.176 5.156 1.00 0.00 H new ATOM 0 HB2 GLN A 526 -2.144 3.003 6.970 1.00 0.00 H new ATOM 0 HB3 GLN A 526 -0.998 3.728 5.860 1.00 0.00 H new ATOM 0 HG2 GLN A 526 -2.497 5.752 5.682 1.00 0.00 H new ATOM 0 HG3 GLN A 526 -3.577 5.030 6.858 1.00 0.00 H new ATOM 0 HE21 GLN A 526 -2.635 4.547 9.088 1.00 0.00 H new ATOM 0 HE22 GLN A 526 -1.327 5.582 9.669 1.00 0.00 H new ATOM 1433 N ILE A 527 -3.609 4.607 3.146 1.00 0.00 N ATOM 1434 CA ILE A 527 -3.582 5.370 1.891 1.00 0.00 C ATOM 1435 C ILE A 527 -3.673 6.863 2.226 1.00 0.00 C ATOM 1436 O ILE A 527 -4.571 7.285 2.959 1.00 0.00 O ATOM 1437 CB ILE A 527 -4.761 4.932 0.983 1.00 0.00 C ATOM 1438 CG1 ILE A 527 -4.874 3.405 0.786 1.00 0.00 C ATOM 1439 CG2 ILE A 527 -4.699 5.617 -0.392 1.00 0.00 C ATOM 1440 CD1 ILE A 527 -3.635 2.719 0.206 1.00 0.00 C ATOM 0 H ILE A 527 -4.517 4.648 3.609 1.00 0.00 H new ATOM 0 HA ILE A 527 -2.654 5.179 1.351 1.00 0.00 H new ATOM 0 HB ILE A 527 -5.654 5.253 1.519 1.00 0.00 H new ATOM 0 HG12 ILE A 527 -5.102 2.949 1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 527 -5.720 3.203 0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 527 -5.540 5.287 -1.001 1.00 0.00 H new ATOM 0 HG22 ILE A 527 -4.747 6.698 -0.262 1.00 0.00 H new ATOM 0 HG23 ILE A 527 -3.765 5.353 -0.888 1.00 0.00 H new ATOM 0 HD11 ILE A 527 -3.823 1.650 0.109 1.00 0.00 H new ATOM 0 HD12 ILE A 527 -3.413 3.138 -0.775 1.00 0.00 H new ATOM 0 HD13 ILE A 527 -2.786 2.880 0.870 1.00 0.00 H new ATOM 1452 N ARG A 528 -2.758 7.672 1.684 1.00 0.00 N ATOM 1453 CA ARG A 528 -2.669 9.118 1.933 1.00 0.00 C ATOM 1454 C ARG A 528 -2.418 9.863 0.607 1.00 0.00 C ATOM 1455 O ARG A 528 -1.256 10.018 0.214 1.00 0.00 O ATOM 1456 CB ARG A 528 -1.566 9.398 2.974 1.00 0.00 C ATOM 1457 CG ARG A 528 -1.971 9.060 4.419 1.00 0.00 C ATOM 1458 CD ARG A 528 -0.785 9.029 5.393 1.00 0.00 C ATOM 1459 NE ARG A 528 0.021 10.265 5.360 1.00 0.00 N ATOM 1460 CZ ARG A 528 1.338 10.352 5.521 1.00 0.00 C ATOM 1461 NH1 ARG A 528 2.098 9.297 5.723 1.00 0.00 N ATOM 1462 NH2 ARG A 528 1.921 11.527 5.481 1.00 0.00 N ATOM 0 H ARG A 528 -2.040 7.333 1.044 1.00 0.00 H new ATOM 0 HA ARG A 528 -3.610 9.485 2.341 1.00 0.00 H new ATOM 0 HB2 ARG A 528 -0.678 8.822 2.712 1.00 0.00 H new ATOM 0 HB3 ARG A 528 -1.290 10.451 2.922 1.00 0.00 H new ATOM 0 HG2 ARG A 528 -2.698 9.795 4.766 1.00 0.00 H new ATOM 0 HG3 ARG A 528 -2.468 8.090 4.432 1.00 0.00 H new ATOM 0 HD2 ARG A 528 -1.157 8.872 6.405 1.00 0.00 H new ATOM 0 HD3 ARG A 528 -0.147 8.179 5.152 1.00 0.00 H new ATOM 0 HE ARG A 528 -0.481 11.138 5.198 1.00 0.00 H new ATOM 0 HH11 ARG A 528 1.680 8.367 5.761 1.00 0.00 H new ATOM 0 HH12 ARG A 528 3.105 9.409 5.842 1.00 0.00 H new ATOM 0 HH21 ARG A 528 1.364 12.368 5.327 1.00 0.00 H new ATOM 0 HH22 ARG A 528 2.931 11.600 5.604 1.00 0.00 H new ATOM 1476 N PRO A 529 -3.484 10.302 -0.097 1.00 0.00 N ATOM 1477 CA PRO A 529 -3.381 11.150 -1.282 1.00 0.00 C ATOM 1478 C PRO A 529 -2.619 12.435 -0.951 1.00 0.00 C ATOM 1479 O PRO A 529 -2.884 13.067 0.074 1.00 0.00 O ATOM 1480 CB PRO A 529 -4.821 11.426 -1.732 1.00 0.00 C ATOM 1481 CG PRO A 529 -5.600 10.239 -1.168 1.00 0.00 C ATOM 1482 CD PRO A 529 -4.882 9.974 0.153 1.00 0.00 C ATOM 0 HA PRO A 529 -2.822 10.670 -2.085 1.00 0.00 H new ATOM 0 HB2 PRO A 529 -5.191 12.373 -1.339 1.00 0.00 H new ATOM 0 HB3 PRO A 529 -4.900 11.479 -2.818 1.00 0.00 H new ATOM 0 HG2 PRO A 529 -6.653 10.478 -1.017 1.00 0.00 H new ATOM 0 HG3 PRO A 529 -5.561 9.375 -1.832 1.00 0.00 H new ATOM 0 HD2 PRO A 529 -5.293 10.588 0.954 1.00 0.00 H new ATOM 0 HD3 PRO A 529 -4.993 8.934 0.460 1.00 0.00 H new ATOM 1490 N TRP A 530 -1.649 12.802 -1.793 1.00 0.00 N ATOM 1491 CA TRP A 530 -0.692 13.865 -1.480 1.00 0.00 C ATOM 1492 C TRP A 530 -1.164 15.274 -1.890 1.00 0.00 C ATOM 1493 O TRP A 530 -2.168 15.449 -2.584 1.00 0.00 O ATOM 1494 CB TRP A 530 0.675 13.500 -2.077 1.00 0.00 C ATOM 1495 CG TRP A 530 1.825 14.050 -1.295 1.00 0.00 C ATOM 1496 CD1 TRP A 530 2.574 15.129 -1.611 1.00 0.00 C ATOM 1497 CD2 TRP A 530 2.331 13.573 -0.010 1.00 0.00 C ATOM 1498 NE1 TRP A 530 3.509 15.350 -0.617 1.00 0.00 N ATOM 1499 CE2 TRP A 530 3.407 14.416 0.394 1.00 0.00 C ATOM 1500 CE3 TRP A 530 1.975 12.517 0.858 1.00 0.00 C ATOM 1501 CZ2 TRP A 530 4.105 14.214 1.594 1.00 0.00 C ATOM 1502 CZ3 TRP A 530 2.675 12.299 2.060 1.00 0.00 C ATOM 1503 CH2 TRP A 530 3.738 13.144 2.429 1.00 0.00 C ATOM 0 H TRP A 530 -1.506 12.372 -2.707 1.00 0.00 H new ATOM 0 HA TRP A 530 -0.605 13.927 -0.395 1.00 0.00 H new ATOM 0 HB2 TRP A 530 0.764 12.415 -2.127 1.00 0.00 H new ATOM 0 HB3 TRP A 530 0.729 13.872 -3.100 1.00 0.00 H new ATOM 0 HD1 TRP A 530 2.460 15.727 -2.503 1.00 0.00 H new ATOM 0 HE1 TRP A 530 4.190 16.109 -0.629 1.00 0.00 H new ATOM 0 HE3 TRP A 530 1.153 11.867 0.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 530 4.914 14.872 1.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 530 2.394 11.478 2.703 1.00 0.00 H new ATOM 0 HH2 TRP A 530 4.271 12.971 3.352 1.00 0.00 H new