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 516 SER OG : rot -143:sc= 0.603 USER MOD Set 1.2: A 521 LYS NZ :NH3+ 165:sc= 0.675 (180deg=-0.0078) USER MOD Set 2.1: A 517 SER OG : rot 180:sc= 0.495 USER MOD Set 2.2: A 519 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 512 TYR OH : rot 180:sc= 0.297 USER MOD Set 3.2: A 526 GLN : amide:sc= 1.27 K(o=1.6,f=-6!) USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 THR OG1 : rot 64:sc= 1.2 USER MOD Single : A 460 SER OG : rot 65:sc= 1.2 USER MOD Single : A 486 TYR OH : rot 180:sc= 0 USER MOD Single : A 492 GLN : amide:sc= 0.958 K(o=0.96,f=-0.04) USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD Single : A 496 SER OG : rot -75:sc= 0.372 USER MOD Single : A 498 GLN : amide:sc= 0.279 X(o=0.28,f=-0.027) USER MOD Single : A 504 CYS SG : rot 68:sc= 0.647 USER MOD Single : A 514 CYS SG : rot 40:sc= 0.126 USER MOD Single : A 523 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 79 N ARG A 441 -1.330 13.632 -8.379 1.00 0.00 N ATOM 80 CA ARG A 441 -1.235 12.232 -8.822 1.00 0.00 C ATOM 81 C ARG A 441 -0.276 11.379 -7.983 1.00 0.00 C ATOM 82 O ARG A 441 -0.200 10.167 -8.192 1.00 0.00 O ATOM 83 CB ARG A 441 -0.870 12.156 -10.311 1.00 0.00 C ATOM 84 CG ARG A 441 -1.897 12.909 -11.166 1.00 0.00 C ATOM 85 CD ARG A 441 -1.900 12.459 -12.626 1.00 0.00 C ATOM 86 NE ARG A 441 -0.573 12.550 -13.252 1.00 0.00 N ATOM 87 CZ ARG A 441 -0.055 13.611 -13.861 1.00 0.00 C ATOM 88 NH1 ARG A 441 -0.696 14.759 -13.956 1.00 0.00 N ATOM 89 NH2 ARG A 441 1.146 13.526 -14.391 1.00 0.00 N ATOM 0 HA ARG A 441 -2.226 11.803 -8.671 1.00 0.00 H new ATOM 0 HB2 ARG A 441 0.121 12.581 -10.469 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -0.824 11.113 -10.625 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -2.891 12.762 -10.744 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -1.686 13.977 -11.121 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.254 11.430 -12.684 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.605 13.071 -13.189 1.00 0.00 H new ATOM 0 HE ARG A 441 0.009 11.713 -13.215 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -1.628 14.858 -13.553 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -0.260 15.548 -14.433 1.00 0.00 H new ATOM 0 HH21 ARG A 441 1.669 12.652 -14.332 1.00 0.00 H new ATOM 0 HH22 ARG A 441 1.554 14.334 -14.861 1.00 0.00 H new ATOM 103 N LYS A 442 0.446 11.978 -7.029 1.00 0.00 N ATOM 104 CA LYS A 442 1.250 11.239 -6.052 1.00 0.00 C ATOM 105 C LYS A 442 0.368 10.741 -4.889 1.00 0.00 C ATOM 106 O LYS A 442 -0.451 11.499 -4.371 1.00 0.00 O ATOM 107 CB LYS A 442 2.432 12.110 -5.585 1.00 0.00 C ATOM 108 CG LYS A 442 3.370 11.334 -4.641 1.00 0.00 C ATOM 109 CD LYS A 442 4.726 12.022 -4.423 1.00 0.00 C ATOM 110 CE LYS A 442 4.581 13.342 -3.655 1.00 0.00 C ATOM 111 NZ LYS A 442 5.899 13.980 -3.402 1.00 0.00 N ATOM 0 H LYS A 442 0.488 12.991 -6.914 1.00 0.00 H new ATOM 0 HA LYS A 442 1.672 10.348 -6.518 1.00 0.00 H new ATOM 0 HB2 LYS A 442 2.994 12.457 -6.452 1.00 0.00 H new ATOM 0 HB3 LYS A 442 2.053 12.996 -5.075 1.00 0.00 H new ATOM 0 HG2 LYS A 442 2.878 11.206 -3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 442 3.539 10.337 -5.048 1.00 0.00 H new ATOM 0 HD2 LYS A 442 5.388 11.353 -3.873 1.00 0.00 H new ATOM 0 HD3 LYS A 442 5.195 12.213 -5.388 1.00 0.00 H new ATOM 0 HE2 LYS A 442 3.949 14.025 -4.222 1.00 0.00 H new ATOM 0 HE3 LYS A 442 4.078 13.157 -2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 5.760 14.869 -2.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 6.493 13.338 -2.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 6.368 14.180 -4.309 1.00 0.00 H new ATOM 125 N VAL A 443 0.542 9.487 -4.465 1.00 0.00 N ATOM 126 CA VAL A 443 -0.198 8.881 -3.339 1.00 0.00 C ATOM 127 C VAL A 443 0.746 8.034 -2.483 1.00 0.00 C ATOM 128 O VAL A 443 1.295 7.044 -2.958 1.00 0.00 O ATOM 129 CB VAL A 443 -1.392 8.019 -3.824 1.00 0.00 C ATOM 130 CG1 VAL A 443 -2.197 7.480 -2.632 1.00 0.00 C ATOM 131 CG2 VAL A 443 -2.345 8.781 -4.761 1.00 0.00 C ATOM 0 H VAL A 443 1.210 8.848 -4.897 1.00 0.00 H new ATOM 0 HA VAL A 443 -0.603 9.696 -2.739 1.00 0.00 H new ATOM 0 HB VAL A 443 -0.953 7.196 -4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -3.029 6.878 -2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -1.552 6.864 -2.006 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -2.582 8.314 -2.046 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -3.159 8.123 -5.065 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -2.753 9.646 -4.239 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -1.799 9.114 -5.643 1.00 0.00 H new ATOM 141 N PHE A 444 0.916 8.408 -1.214 1.00 0.00 N ATOM 142 CA PHE A 444 1.632 7.615 -0.212 1.00 0.00 C ATOM 143 C PHE A 444 0.816 6.370 0.182 1.00 0.00 C ATOM 144 O PHE A 444 -0.399 6.458 0.374 1.00 0.00 O ATOM 145 CB PHE A 444 1.906 8.505 1.011 1.00 0.00 C ATOM 146 CG PHE A 444 2.432 7.776 2.238 1.00 0.00 C ATOM 147 CD1 PHE A 444 1.542 7.186 3.161 1.00 0.00 C ATOM 148 CD2 PHE A 444 3.819 7.684 2.461 1.00 0.00 C ATOM 149 CE1 PHE A 444 2.035 6.507 4.289 1.00 0.00 C ATOM 150 CE2 PHE A 444 4.310 7.022 3.600 1.00 0.00 C ATOM 151 CZ PHE A 444 3.420 6.426 4.511 1.00 0.00 C ATOM 0 H PHE A 444 0.553 9.287 -0.846 1.00 0.00 H new ATOM 0 HA PHE A 444 2.578 7.264 -0.625 1.00 0.00 H new ATOM 0 HB2 PHE A 444 2.626 9.272 0.728 1.00 0.00 H new ATOM 0 HB3 PHE A 444 0.983 9.018 1.281 1.00 0.00 H new ATOM 0 HD1 PHE A 444 0.476 7.257 3.000 1.00 0.00 H new ATOM 0 HD2 PHE A 444 4.508 8.123 1.755 1.00 0.00 H new ATOM 0 HE1 PHE A 444 1.349 6.048 4.985 1.00 0.00 H new ATOM 0 HE2 PHE A 444 5.374 6.971 3.776 1.00 0.00 H new ATOM 0 HZ PHE A 444 3.800 5.907 5.379 1.00 0.00 H new ATOM 161 N VAL A 445 1.497 5.235 0.351 1.00 0.00 N ATOM 162 CA VAL A 445 0.929 3.962 0.826 1.00 0.00 C ATOM 163 C VAL A 445 1.841 3.372 1.900 1.00 0.00 C ATOM 164 O VAL A 445 2.997 3.067 1.613 1.00 0.00 O ATOM 165 CB VAL A 445 0.752 2.948 -0.323 1.00 0.00 C ATOM 166 CG1 VAL A 445 0.162 1.613 0.164 1.00 0.00 C ATOM 167 CG2 VAL A 445 -0.157 3.525 -1.412 1.00 0.00 C ATOM 0 H VAL A 445 2.496 5.170 0.155 1.00 0.00 H new ATOM 0 HA VAL A 445 -0.058 4.166 1.240 1.00 0.00 H new ATOM 0 HB VAL A 445 1.746 2.756 -0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 445 0.056 0.932 -0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 445 0.827 1.170 0.906 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.816 1.789 0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -0.271 2.796 -2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -1.135 3.753 -0.987 1.00 0.00 H new ATOM 0 HG23 VAL A 445 0.287 4.437 -1.810 1.00 0.00 H new ATOM 177 N GLY A 446 1.318 3.215 3.120 1.00 0.00 N ATOM 178 CA GLY A 446 2.053 2.710 4.290 1.00 0.00 C ATOM 179 C GLY A 446 1.512 1.383 4.823 1.00 0.00 C ATOM 180 O GLY A 446 0.302 1.169 4.846 1.00 0.00 O ATOM 0 H GLY A 446 0.346 3.441 3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 446 3.103 2.585 4.024 1.00 0.00 H new ATOM 0 HA3 GLY A 446 2.012 3.455 5.084 1.00 0.00 H new ATOM 184 N GLY A 447 2.410 0.507 5.290 1.00 0.00 N ATOM 185 CA GLY A 447 2.091 -0.824 5.836 1.00 0.00 C ATOM 186 C GLY A 447 2.300 -1.980 4.850 1.00 0.00 C ATOM 187 O GLY A 447 1.787 -3.074 5.084 1.00 0.00 O ATOM 0 H GLY A 447 3.410 0.708 5.300 1.00 0.00 H new ATOM 0 HA2 GLY A 447 2.707 -0.999 6.718 1.00 0.00 H new ATOM 0 HA3 GLY A 447 1.052 -0.828 6.167 1.00 0.00 H new ATOM 191 N LEU A 448 3.024 -1.752 3.747 1.00 0.00 N ATOM 192 CA LEU A 448 3.330 -2.756 2.718 1.00 0.00 C ATOM 193 C LEU A 448 4.086 -3.962 3.329 1.00 0.00 C ATOM 194 O LEU A 448 4.968 -3.740 4.168 1.00 0.00 O ATOM 195 CB LEU A 448 4.169 -2.094 1.604 1.00 0.00 C ATOM 196 CG LEU A 448 3.416 -1.051 0.750 1.00 0.00 C ATOM 197 CD1 LEU A 448 4.411 -0.309 -0.150 1.00 0.00 C ATOM 198 CD2 LEU A 448 2.341 -1.699 -0.136 1.00 0.00 C ATOM 0 H LEU A 448 3.425 -0.838 3.539 1.00 0.00 H new ATOM 0 HA LEU A 448 2.398 -3.133 2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 448 5.034 -1.612 2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 448 4.550 -2.874 0.945 1.00 0.00 H new ATOM 0 HG LEU A 448 2.925 -0.361 1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 448 3.878 0.427 -0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 448 5.153 0.197 0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 448 4.910 -1.022 -0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 448 1.837 -0.928 -0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 448 2.809 -2.416 -0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 448 1.613 -2.213 0.492 1.00 0.00 H new ATOM 210 N PRO A 449 3.777 -5.217 2.927 1.00 0.00 N ATOM 211 CA PRO A 449 4.487 -6.414 3.388 1.00 0.00 C ATOM 212 C PRO A 449 6.010 -6.359 3.156 1.00 0.00 C ATOM 213 O PRO A 449 6.462 -5.662 2.245 1.00 0.00 O ATOM 214 CB PRO A 449 3.863 -7.581 2.615 1.00 0.00 C ATOM 215 CG PRO A 449 2.442 -7.103 2.340 1.00 0.00 C ATOM 216 CD PRO A 449 2.654 -5.614 2.078 1.00 0.00 C ATOM 0 HA PRO A 449 4.379 -6.515 4.468 1.00 0.00 H new ATOM 0 HB2 PRO A 449 4.404 -7.786 1.691 1.00 0.00 H new ATOM 0 HB3 PRO A 449 3.871 -8.501 3.200 1.00 0.00 H new ATOM 0 HG2 PRO A 449 2.000 -7.609 1.482 1.00 0.00 H new ATOM 0 HG3 PRO A 449 1.781 -7.278 3.189 1.00 0.00 H new ATOM 0 HD2 PRO A 449 2.874 -5.429 1.027 1.00 0.00 H new ATOM 0 HD3 PRO A 449 1.758 -5.043 2.321 1.00 0.00 H new ATOM 224 N PRO A 450 6.815 -7.120 3.925 1.00 0.00 N ATOM 225 CA PRO A 450 8.276 -7.132 3.822 1.00 0.00 C ATOM 226 C PRO A 450 8.807 -7.936 2.615 1.00 0.00 C ATOM 227 O PRO A 450 10.019 -8.103 2.482 1.00 0.00 O ATOM 228 CB PRO A 450 8.749 -7.721 5.157 1.00 0.00 C ATOM 229 CG PRO A 450 7.643 -8.718 5.495 1.00 0.00 C ATOM 230 CD PRO A 450 6.387 -8.001 5.005 1.00 0.00 C ATOM 0 HA PRO A 450 8.663 -6.129 3.644 1.00 0.00 H new ATOM 0 HB2 PRO A 450 9.719 -8.209 5.063 1.00 0.00 H new ATOM 0 HB3 PRO A 450 8.851 -6.954 5.925 1.00 0.00 H new ATOM 0 HG2 PRO A 450 7.789 -9.672 4.989 1.00 0.00 H new ATOM 0 HG3 PRO A 450 7.599 -8.928 6.564 1.00 0.00 H new ATOM 0 HD2 PRO A 450 5.644 -8.716 4.652 1.00 0.00 H new ATOM 0 HD3 PRO A 450 5.924 -7.432 5.811 1.00 0.00 H new ATOM 238 N ASP A 451 7.926 -8.436 1.739 1.00 0.00 N ATOM 239 CA ASP A 451 8.253 -9.333 0.619 1.00 0.00 C ATOM 240 C ASP A 451 7.447 -8.989 -0.654 1.00 0.00 C ATOM 241 O ASP A 451 7.133 -9.861 -1.466 1.00 0.00 O ATOM 242 CB ASP A 451 8.070 -10.793 1.081 1.00 0.00 C ATOM 243 CG ASP A 451 8.730 -11.817 0.137 1.00 0.00 C ATOM 244 OD1 ASP A 451 9.928 -11.647 -0.197 1.00 0.00 O ATOM 245 OD2 ASP A 451 8.072 -12.822 -0.224 1.00 0.00 O ATOM 0 H ASP A 451 6.930 -8.220 1.791 1.00 0.00 H new ATOM 0 HA ASP A 451 9.296 -9.194 0.333 1.00 0.00 H new ATOM 0 HB2 ASP A 451 8.491 -10.906 2.080 1.00 0.00 H new ATOM 0 HB3 ASP A 451 7.005 -11.012 1.157 1.00 0.00 H new ATOM 250 N ILE A 452 7.085 -7.709 -0.824 1.00 0.00 N ATOM 251 CA ILE A 452 6.368 -7.195 -2.004 1.00 0.00 C ATOM 252 C ILE A 452 7.273 -6.284 -2.851 1.00 0.00 C ATOM 253 O ILE A 452 7.906 -5.360 -2.340 1.00 0.00 O ATOM 254 CB ILE A 452 5.038 -6.529 -1.576 1.00 0.00 C ATOM 255 CG1 ILE A 452 4.090 -6.472 -2.789 1.00 0.00 C ATOM 256 CG2 ILE A 452 5.224 -5.134 -0.951 1.00 0.00 C ATOM 257 CD1 ILE A 452 2.687 -5.955 -2.462 1.00 0.00 C ATOM 0 H ILE A 452 7.286 -6.987 -0.132 1.00 0.00 H new ATOM 0 HA ILE A 452 6.101 -8.028 -2.655 1.00 0.00 H new ATOM 0 HB ILE A 452 4.601 -7.143 -0.788 1.00 0.00 H new ATOM 0 HG12 ILE A 452 4.532 -5.832 -3.553 1.00 0.00 H new ATOM 0 HG13 ILE A 452 4.007 -7.470 -3.219 1.00 0.00 H new ATOM 0 HG21 ILE A 452 4.252 -4.727 -0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 452 5.850 -5.214 -0.062 1.00 0.00 H new ATOM 0 HG23 ILE A 452 5.703 -4.473 -1.673 1.00 0.00 H new ATOM 0 HD11 ILE A 452 2.082 -5.946 -3.369 1.00 0.00 H new ATOM 0 HD12 ILE A 452 2.222 -6.607 -1.722 1.00 0.00 H new ATOM 0 HD13 ILE A 452 2.756 -4.944 -2.062 1.00 0.00 H new ATOM 269 N ASP A 453 7.355 -6.562 -4.151 1.00 0.00 N ATOM 270 CA ASP A 453 8.212 -5.848 -5.105 1.00 0.00 C ATOM 271 C ASP A 453 7.465 -4.760 -5.901 1.00 0.00 C ATOM 272 O ASP A 453 6.234 -4.715 -5.917 1.00 0.00 O ATOM 273 CB ASP A 453 8.873 -6.862 -6.050 1.00 0.00 C ATOM 274 CG ASP A 453 7.853 -7.613 -6.914 1.00 0.00 C ATOM 275 OD1 ASP A 453 7.458 -7.065 -7.968 1.00 0.00 O ATOM 276 OD2 ASP A 453 7.463 -8.740 -6.529 1.00 0.00 O ATOM 0 H ASP A 453 6.814 -7.310 -4.585 1.00 0.00 H new ATOM 0 HA ASP A 453 8.974 -5.322 -4.530 1.00 0.00 H new ATOM 0 HB2 ASP A 453 9.580 -6.343 -6.697 1.00 0.00 H new ATOM 0 HB3 ASP A 453 9.446 -7.580 -5.463 1.00 0.00 H new ATOM 281 N GLU A 454 8.229 -3.906 -6.590 1.00 0.00 N ATOM 282 CA GLU A 454 7.754 -2.790 -7.421 1.00 0.00 C ATOM 283 C GLU A 454 6.550 -3.144 -8.318 1.00 0.00 C ATOM 284 O GLU A 454 5.573 -2.395 -8.368 1.00 0.00 O ATOM 285 CB GLU A 454 8.919 -2.313 -8.308 1.00 0.00 C ATOM 286 CG GLU A 454 8.608 -1.006 -9.047 1.00 0.00 C ATOM 287 CD GLU A 454 9.789 -0.599 -9.937 1.00 0.00 C ATOM 288 OE1 GLU A 454 10.747 0.012 -9.409 1.00 0.00 O ATOM 289 OE2 GLU A 454 9.766 -0.881 -11.157 1.00 0.00 O ATOM 0 H GLU A 454 9.247 -3.976 -6.584 1.00 0.00 H new ATOM 0 HA GLU A 454 7.411 -2.011 -6.741 1.00 0.00 H new ATOM 0 HB2 GLU A 454 9.806 -2.173 -7.690 1.00 0.00 H new ATOM 0 HB3 GLU A 454 9.156 -3.089 -9.036 1.00 0.00 H new ATOM 0 HG2 GLU A 454 7.712 -1.129 -9.655 1.00 0.00 H new ATOM 0 HG3 GLU A 454 8.398 -0.215 -8.327 1.00 0.00 H new ATOM 296 N ASP A 455 6.597 -4.282 -9.017 1.00 0.00 N ATOM 297 CA ASP A 455 5.578 -4.684 -9.994 1.00 0.00 C ATOM 298 C ASP A 455 4.321 -5.266 -9.328 1.00 0.00 C ATOM 299 O ASP A 455 3.228 -5.150 -9.877 1.00 0.00 O ATOM 300 CB ASP A 455 6.193 -5.681 -10.984 1.00 0.00 C ATOM 301 CG ASP A 455 5.274 -5.952 -12.189 1.00 0.00 C ATOM 302 OD1 ASP A 455 5.057 -5.019 -12.999 1.00 0.00 O ATOM 303 OD2 ASP A 455 4.808 -7.105 -12.346 1.00 0.00 O ATOM 0 H ASP A 455 7.353 -4.959 -8.920 1.00 0.00 H new ATOM 0 HA ASP A 455 5.251 -3.793 -10.529 1.00 0.00 H new ATOM 0 HB2 ASP A 455 7.149 -5.295 -11.339 1.00 0.00 H new ATOM 0 HB3 ASP A 455 6.400 -6.619 -10.470 1.00 0.00 H new ATOM 308 N GLU A 456 4.455 -5.818 -8.118 1.00 0.00 N ATOM 309 CA GLU A 456 3.322 -6.219 -7.280 1.00 0.00 C ATOM 310 C GLU A 456 2.665 -5.017 -6.592 1.00 0.00 C ATOM 311 O GLU A 456 1.440 -4.972 -6.495 1.00 0.00 O ATOM 312 CB GLU A 456 3.754 -7.229 -6.213 1.00 0.00 C ATOM 313 CG GLU A 456 4.081 -8.614 -6.768 1.00 0.00 C ATOM 314 CD GLU A 456 2.840 -9.350 -7.300 1.00 0.00 C ATOM 315 OE1 GLU A 456 2.040 -9.860 -6.481 1.00 0.00 O ATOM 316 OE2 GLU A 456 2.670 -9.454 -8.538 1.00 0.00 O ATOM 0 H GLU A 456 5.362 -6.001 -7.689 1.00 0.00 H new ATOM 0 HA GLU A 456 2.594 -6.682 -7.946 1.00 0.00 H new ATOM 0 HB2 GLU A 456 4.630 -6.841 -5.693 1.00 0.00 H new ATOM 0 HB3 GLU A 456 2.959 -7.323 -5.473 1.00 0.00 H new ATOM 0 HG2 GLU A 456 4.812 -8.516 -7.571 1.00 0.00 H new ATOM 0 HG3 GLU A 456 4.546 -9.214 -5.986 1.00 0.00 H new ATOM 323 N ILE A 457 3.435 -4.007 -6.168 1.00 0.00 N ATOM 324 CA ILE A 457 2.871 -2.735 -5.676 1.00 0.00 C ATOM 325 C ILE A 457 2.154 -2.011 -6.826 1.00 0.00 C ATOM 326 O ILE A 457 1.077 -1.454 -6.617 1.00 0.00 O ATOM 327 CB ILE A 457 3.952 -1.842 -5.016 1.00 0.00 C ATOM 328 CG1 ILE A 457 4.674 -2.550 -3.846 1.00 0.00 C ATOM 329 CG2 ILE A 457 3.304 -0.546 -4.478 1.00 0.00 C ATOM 330 CD1 ILE A 457 6.028 -1.913 -3.510 1.00 0.00 C ATOM 0 H ILE A 457 4.454 -4.043 -6.154 1.00 0.00 H new ATOM 0 HA ILE A 457 2.142 -2.956 -4.896 1.00 0.00 H new ATOM 0 HB ILE A 457 4.690 -1.620 -5.787 1.00 0.00 H new ATOM 0 HG12 ILE A 457 4.036 -2.524 -2.962 1.00 0.00 H new ATOM 0 HG13 ILE A 457 4.824 -3.599 -4.100 1.00 0.00 H new ATOM 0 HG21 ILE A 457 4.068 0.078 -4.015 1.00 0.00 H new ATOM 0 HG22 ILE A 457 2.841 -0.002 -5.301 1.00 0.00 H new ATOM 0 HG23 ILE A 457 2.545 -0.799 -3.738 1.00 0.00 H new ATOM 0 HD11 ILE A 457 6.488 -2.452 -2.682 1.00 0.00 H new ATOM 0 HD12 ILE A 457 6.680 -1.963 -4.382 1.00 0.00 H new ATOM 0 HD13 ILE A 457 5.880 -0.871 -3.227 1.00 0.00 H new ATOM 342 N THR A 458 2.686 -2.097 -8.053 1.00 0.00 N ATOM 343 CA THR A 458 2.026 -1.598 -9.268 1.00 0.00 C ATOM 344 C THR A 458 0.743 -2.369 -9.533 1.00 0.00 C ATOM 345 O THR A 458 -0.306 -1.745 -9.642 1.00 0.00 O ATOM 346 CB THR A 458 2.975 -1.638 -10.476 1.00 0.00 C ATOM 347 OG1 THR A 458 4.145 -0.907 -10.186 1.00 0.00 O ATOM 348 CG2 THR A 458 2.359 -1.007 -11.724 1.00 0.00 C ATOM 0 H THR A 458 3.597 -2.520 -8.232 1.00 0.00 H new ATOM 0 HA THR A 458 1.760 -0.553 -9.108 1.00 0.00 H new ATOM 0 HB THR A 458 3.185 -2.690 -10.668 1.00 0.00 H new ATOM 0 HG1 THR A 458 4.624 -1.336 -9.446 1.00 0.00 H new ATOM 0 HG21 THR A 458 3.070 -1.061 -12.548 1.00 0.00 H new ATOM 0 HG22 THR A 458 1.450 -1.545 -11.993 1.00 0.00 H new ATOM 0 HG23 THR A 458 2.116 0.036 -11.522 1.00 0.00 H new ATOM 356 N ALA A 459 0.771 -3.703 -9.570 1.00 0.00 N ATOM 357 CA ALA A 459 -0.425 -4.525 -9.781 1.00 0.00 C ATOM 358 C ALA A 459 -1.489 -4.334 -8.681 1.00 0.00 C ATOM 359 O ALA A 459 -2.685 -4.395 -8.962 1.00 0.00 O ATOM 360 CB ALA A 459 0.004 -5.993 -9.899 1.00 0.00 C ATOM 0 H ALA A 459 1.626 -4.246 -9.454 1.00 0.00 H new ATOM 0 HA ALA A 459 -0.905 -4.202 -10.705 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -0.875 -6.618 -10.056 1.00 0.00 H new ATOM 0 HB2 ALA A 459 0.685 -6.106 -10.742 1.00 0.00 H new ATOM 0 HB3 ALA A 459 0.508 -6.300 -8.982 1.00 0.00 H new ATOM 366 N SER A 460 -1.069 -4.030 -7.451 1.00 0.00 N ATOM 367 CA SER A 460 -1.957 -3.718 -6.323 1.00 0.00 C ATOM 368 C SER A 460 -2.743 -2.406 -6.488 1.00 0.00 C ATOM 369 O SER A 460 -3.739 -2.216 -5.786 1.00 0.00 O ATOM 370 CB SER A 460 -1.167 -3.667 -5.006 1.00 0.00 C ATOM 371 OG SER A 460 -0.597 -4.925 -4.680 1.00 0.00 O ATOM 0 H SER A 460 -0.080 -3.992 -7.203 1.00 0.00 H new ATOM 0 HA SER A 460 -2.687 -4.527 -6.301 1.00 0.00 H new ATOM 0 HB2 SER A 460 -0.377 -2.920 -5.086 1.00 0.00 H new ATOM 0 HB3 SER A 460 -1.827 -3.348 -4.199 1.00 0.00 H new ATOM 0 HG SER A 460 0.076 -5.163 -5.351 1.00 0.00 H new ATOM 377 N PHE A 461 -2.357 -1.523 -7.421 1.00 0.00 N ATOM 378 CA PHE A 461 -3.060 -0.261 -7.693 1.00 0.00 C ATOM 379 C PHE A 461 -3.365 -0.034 -9.188 1.00 0.00 C ATOM 380 O PHE A 461 -4.086 0.902 -9.530 1.00 0.00 O ATOM 381 CB PHE A 461 -2.281 0.887 -7.040 1.00 0.00 C ATOM 382 CG PHE A 461 -2.349 0.883 -5.519 1.00 0.00 C ATOM 383 CD1 PHE A 461 -1.416 0.143 -4.766 1.00 0.00 C ATOM 384 CD2 PHE A 461 -3.337 1.630 -4.850 1.00 0.00 C ATOM 385 CE1 PHE A 461 -1.476 0.133 -3.362 1.00 0.00 C ATOM 386 CE2 PHE A 461 -3.379 1.645 -3.444 1.00 0.00 C ATOM 387 CZ PHE A 461 -2.460 0.886 -2.699 1.00 0.00 C ATOM 0 H PHE A 461 -1.540 -1.667 -8.014 1.00 0.00 H new ATOM 0 HA PHE A 461 -4.051 -0.308 -7.243 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -1.237 0.828 -7.349 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -2.670 1.836 -7.410 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -0.647 -0.422 -5.273 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -4.064 2.192 -5.417 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -0.768 -0.452 -2.794 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.121 2.242 -2.935 1.00 0.00 H new ATOM 0 HZ PHE A 461 -2.510 0.882 -1.620 1.00 0.00 H new ATOM 397 N ARG A 462 -2.931 -0.937 -10.079 1.00 0.00 N ATOM 398 CA ARG A 462 -3.236 -0.916 -11.519 1.00 0.00 C ATOM 399 C ARG A 462 -4.742 -1.026 -11.819 1.00 0.00 C ATOM 400 O ARG A 462 -5.193 -0.538 -12.859 1.00 0.00 O ATOM 401 CB ARG A 462 -2.423 -2.019 -12.228 1.00 0.00 C ATOM 402 CG ARG A 462 -2.582 -2.073 -13.758 1.00 0.00 C ATOM 403 CD ARG A 462 -2.179 -0.756 -14.434 1.00 0.00 C ATOM 404 NE ARG A 462 -2.481 -0.756 -15.875 1.00 0.00 N ATOM 405 CZ ARG A 462 -3.658 -0.506 -16.442 1.00 0.00 C ATOM 406 NH1 ARG A 462 -4.755 -0.294 -15.741 1.00 0.00 N ATOM 407 NH2 ARG A 462 -3.748 -0.466 -17.753 1.00 0.00 N ATOM 0 H ARG A 462 -2.341 -1.725 -9.811 1.00 0.00 H new ATOM 0 HA ARG A 462 -2.940 0.056 -11.912 1.00 0.00 H new ATOM 0 HB2 ARG A 462 -1.368 -1.877 -11.994 1.00 0.00 H new ATOM 0 HB3 ARG A 462 -2.714 -2.985 -11.815 1.00 0.00 H new ATOM 0 HG2 ARG A 462 -1.972 -2.884 -14.156 1.00 0.00 H new ATOM 0 HG3 ARG A 462 -3.618 -2.303 -14.005 1.00 0.00 H new ATOM 0 HD2 ARG A 462 -2.702 0.071 -13.955 1.00 0.00 H new ATOM 0 HD3 ARG A 462 -1.112 -0.586 -14.288 1.00 0.00 H new ATOM 0 HE ARG A 462 -1.707 -0.970 -16.504 1.00 0.00 H new ATOM 0 HH11 ARG A 462 -4.722 -0.318 -14.722 1.00 0.00 H new ATOM 0 HH12 ARG A 462 -5.637 -0.106 -16.218 1.00 0.00 H new ATOM 0 HH21 ARG A 462 -2.920 -0.626 -18.326 1.00 0.00 H new ATOM 0 HH22 ARG A 462 -4.646 -0.275 -18.197 1.00 0.00 H new ATOM 421 N ARG A 463 -5.525 -1.566 -10.875 1.00 0.00 N ATOM 422 CA ARG A 463 -7.000 -1.582 -10.855 1.00 0.00 C ATOM 423 C ARG A 463 -7.669 -0.189 -10.930 1.00 0.00 C ATOM 424 O ARG A 463 -8.867 -0.111 -11.211 1.00 0.00 O ATOM 425 CB ARG A 463 -7.495 -2.382 -9.626 1.00 0.00 C ATOM 426 CG ARG A 463 -6.864 -1.957 -8.285 1.00 0.00 C ATOM 427 CD ARG A 463 -7.451 -2.724 -7.089 1.00 0.00 C ATOM 428 NE ARG A 463 -6.532 -2.678 -5.937 1.00 0.00 N ATOM 429 CZ ARG A 463 -6.687 -3.231 -4.740 1.00 0.00 C ATOM 430 NH1 ARG A 463 -7.804 -3.810 -4.356 1.00 0.00 N ATOM 431 NH2 ARG A 463 -5.669 -3.204 -3.912 1.00 0.00 N ATOM 0 H ARG A 463 -5.127 -2.030 -10.058 1.00 0.00 H new ATOM 0 HA ARG A 463 -7.311 -2.077 -11.775 1.00 0.00 H new ATOM 0 HB2 ARG A 463 -8.577 -2.276 -9.552 1.00 0.00 H new ATOM 0 HB3 ARG A 463 -7.288 -3.440 -9.790 1.00 0.00 H new ATOM 0 HG2 ARG A 463 -5.787 -2.122 -8.325 1.00 0.00 H new ATOM 0 HG3 ARG A 463 -7.017 -0.888 -8.138 1.00 0.00 H new ATOM 0 HD2 ARG A 463 -8.412 -2.292 -6.811 1.00 0.00 H new ATOM 0 HD3 ARG A 463 -7.636 -3.760 -7.371 1.00 0.00 H new ATOM 0 HE ARG A 463 -5.668 -2.155 -6.077 1.00 0.00 H new ATOM 0 HH11 ARG A 463 -8.602 -3.849 -4.990 1.00 0.00 H new ATOM 0 HH12 ARG A 463 -7.872 -4.220 -3.425 1.00 0.00 H new ATOM 0 HH21 ARG A 463 -4.792 -2.767 -4.196 1.00 0.00 H new ATOM 0 HH22 ARG A 463 -5.755 -3.620 -2.985 1.00 0.00 H new ATOM 445 N PHE A 464 -6.912 0.898 -10.738 1.00 0.00 N ATOM 446 CA PHE A 464 -7.376 2.291 -10.838 1.00 0.00 C ATOM 447 C PHE A 464 -6.928 3.009 -12.126 1.00 0.00 C ATOM 448 O PHE A 464 -7.351 4.139 -12.373 1.00 0.00 O ATOM 449 CB PHE A 464 -6.889 3.036 -9.586 1.00 0.00 C ATOM 450 CG PHE A 464 -7.369 2.402 -8.293 1.00 0.00 C ATOM 451 CD1 PHE A 464 -8.747 2.265 -8.053 1.00 0.00 C ATOM 452 CD2 PHE A 464 -6.446 1.865 -7.375 1.00 0.00 C ATOM 453 CE1 PHE A 464 -9.203 1.582 -6.914 1.00 0.00 C ATOM 454 CE2 PHE A 464 -6.902 1.171 -6.240 1.00 0.00 C ATOM 455 CZ PHE A 464 -8.282 1.030 -6.007 1.00 0.00 C ATOM 0 H PHE A 464 -5.922 0.831 -10.500 1.00 0.00 H new ATOM 0 HA PHE A 464 -8.465 2.286 -10.894 1.00 0.00 H new ATOM 0 HB2 PHE A 464 -5.799 3.064 -9.588 1.00 0.00 H new ATOM 0 HB3 PHE A 464 -7.234 4.069 -9.628 1.00 0.00 H new ATOM 0 HD1 PHE A 464 -9.458 2.687 -8.748 1.00 0.00 H new ATOM 0 HD2 PHE A 464 -5.386 1.986 -7.543 1.00 0.00 H new ATOM 0 HE1 PHE A 464 -10.263 1.481 -6.735 1.00 0.00 H new ATOM 0 HE2 PHE A 464 -6.192 0.746 -5.546 1.00 0.00 H new ATOM 0 HZ PHE A 464 -8.633 0.499 -5.134 1.00 0.00 H new ATOM 465 N GLY A 465 -6.089 2.365 -12.948 1.00 0.00 N ATOM 466 CA GLY A 465 -5.407 2.948 -14.113 1.00 0.00 C ATOM 467 C GLY A 465 -3.878 2.811 -14.017 1.00 0.00 C ATOM 468 O GLY A 465 -3.374 2.382 -12.975 1.00 0.00 O ATOM 0 H GLY A 465 -5.856 1.381 -12.814 1.00 0.00 H new ATOM 0 HA2 GLY A 465 -5.758 2.458 -15.021 1.00 0.00 H new ATOM 0 HA3 GLY A 465 -5.671 4.002 -14.197 1.00 0.00 H new ATOM 472 N PRO A 466 -3.133 3.132 -15.092 1.00 0.00 N ATOM 473 CA PRO A 466 -1.682 2.970 -15.153 1.00 0.00 C ATOM 474 C PRO A 466 -0.943 3.958 -14.238 1.00 0.00 C ATOM 475 O PRO A 466 -1.422 5.062 -13.962 1.00 0.00 O ATOM 476 CB PRO A 466 -1.309 3.137 -16.630 1.00 0.00 C ATOM 477 CG PRO A 466 -2.425 4.021 -17.181 1.00 0.00 C ATOM 478 CD PRO A 466 -3.648 3.595 -16.373 1.00 0.00 C ATOM 0 HA PRO A 466 -1.377 1.991 -14.783 1.00 0.00 H new ATOM 0 HB2 PRO A 466 -0.332 3.605 -16.747 1.00 0.00 H new ATOM 0 HB3 PRO A 466 -1.266 2.177 -17.144 1.00 0.00 H new ATOM 0 HG2 PRO A 466 -2.203 5.079 -17.045 1.00 0.00 H new ATOM 0 HG3 PRO A 466 -2.574 3.861 -18.249 1.00 0.00 H new ATOM 0 HD2 PRO A 466 -4.338 4.428 -16.239 1.00 0.00 H new ATOM 0 HD3 PRO A 466 -4.198 2.804 -16.883 1.00 0.00 H new ATOM 486 N LEU A 467 0.238 3.536 -13.770 1.00 0.00 N ATOM 487 CA LEU A 467 1.029 4.197 -12.729 1.00 0.00 C ATOM 488 C LEU A 467 2.502 3.735 -12.724 1.00 0.00 C ATOM 489 O LEU A 467 2.861 2.770 -13.401 1.00 0.00 O ATOM 490 CB LEU A 467 0.368 3.969 -11.341 1.00 0.00 C ATOM 491 CG LEU A 467 0.510 2.554 -10.726 1.00 0.00 C ATOM 492 CD1 LEU A 467 0.278 2.623 -9.214 1.00 0.00 C ATOM 493 CD2 LEU A 467 -0.474 1.537 -11.320 1.00 0.00 C ATOM 0 H LEU A 467 0.686 2.690 -14.122 1.00 0.00 H new ATOM 0 HA LEU A 467 1.042 5.264 -12.950 1.00 0.00 H new ATOM 0 HB2 LEU A 467 0.792 4.688 -10.640 1.00 0.00 H new ATOM 0 HB3 LEU A 467 -0.694 4.197 -11.429 1.00 0.00 H new ATOM 0 HG LEU A 467 1.520 2.216 -10.958 1.00 0.00 H new ATOM 0 HD11 LEU A 467 0.379 1.626 -8.785 1.00 0.00 H new ATOM 0 HD12 LEU A 467 1.014 3.288 -8.763 1.00 0.00 H new ATOM 0 HD13 LEU A 467 -0.724 3.004 -9.017 1.00 0.00 H new ATOM 0 HD21 LEU A 467 -0.323 0.566 -10.848 1.00 0.00 H new ATOM 0 HD22 LEU A 467 -1.496 1.873 -11.142 1.00 0.00 H new ATOM 0 HD23 LEU A 467 -0.303 1.449 -12.393 1.00 0.00 H new ATOM 505 N VAL A 468 3.328 4.391 -11.906 1.00 0.00 N ATOM 506 CA VAL A 468 4.696 3.970 -11.542 1.00 0.00 C ATOM 507 C VAL A 468 4.880 4.097 -10.018 1.00 0.00 C ATOM 508 O VAL A 468 4.114 4.812 -9.372 1.00 0.00 O ATOM 509 CB VAL A 468 5.777 4.726 -12.359 1.00 0.00 C ATOM 510 CG1 VAL A 468 6.119 6.125 -11.856 1.00 0.00 C ATOM 511 CG2 VAL A 468 7.061 3.894 -12.472 1.00 0.00 C ATOM 0 H VAL A 468 3.058 5.266 -11.457 1.00 0.00 H new ATOM 0 HA VAL A 468 4.831 2.921 -11.807 1.00 0.00 H new ATOM 0 HB VAL A 468 5.321 4.867 -13.339 1.00 0.00 H new ATOM 0 HG11 VAL A 468 6.884 6.565 -12.496 1.00 0.00 H new ATOM 0 HG12 VAL A 468 5.225 6.748 -11.878 1.00 0.00 H new ATOM 0 HG13 VAL A 468 6.493 6.063 -10.834 1.00 0.00 H new ATOM 0 HG21 VAL A 468 7.803 4.446 -13.049 1.00 0.00 H new ATOM 0 HG22 VAL A 468 7.453 3.693 -11.475 1.00 0.00 H new ATOM 0 HG23 VAL A 468 6.841 2.951 -12.972 1.00 0.00 H new ATOM 521 N VAL A 469 5.859 3.396 -9.436 1.00 0.00 N ATOM 522 CA VAL A 469 6.050 3.279 -7.975 1.00 0.00 C ATOM 523 C VAL A 469 7.503 3.590 -7.588 1.00 0.00 C ATOM 524 O VAL A 469 8.444 3.127 -8.234 1.00 0.00 O ATOM 525 CB VAL A 469 5.640 1.871 -7.475 1.00 0.00 C ATOM 526 CG1 VAL A 469 5.793 1.734 -5.950 1.00 0.00 C ATOM 527 CG2 VAL A 469 4.180 1.550 -7.842 1.00 0.00 C ATOM 0 H VAL A 469 6.558 2.882 -9.972 1.00 0.00 H new ATOM 0 HA VAL A 469 5.404 4.012 -7.491 1.00 0.00 H new ATOM 0 HB VAL A 469 6.312 1.169 -7.969 1.00 0.00 H new ATOM 0 HG11 VAL A 469 5.495 0.732 -5.643 1.00 0.00 H new ATOM 0 HG12 VAL A 469 6.833 1.904 -5.672 1.00 0.00 H new ATOM 0 HG13 VAL A 469 5.160 2.469 -5.453 1.00 0.00 H new ATOM 0 HG21 VAL A 469 3.923 0.555 -7.477 1.00 0.00 H new ATOM 0 HG22 VAL A 469 3.519 2.286 -7.384 1.00 0.00 H new ATOM 0 HG23 VAL A 469 4.062 1.581 -8.925 1.00 0.00 H new ATOM 537 N ASP A 470 7.676 4.368 -6.516 1.00 0.00 N ATOM 538 CA ASP A 470 8.955 4.891 -6.016 1.00 0.00 C ATOM 539 C ASP A 470 8.965 4.995 -4.475 1.00 0.00 C ATOM 540 O ASP A 470 7.914 4.962 -3.839 1.00 0.00 O ATOM 541 CB ASP A 470 9.202 6.257 -6.683 1.00 0.00 C ATOM 542 CG ASP A 470 10.589 6.837 -6.368 1.00 0.00 C ATOM 543 OD1 ASP A 470 11.595 6.138 -6.629 1.00 0.00 O ATOM 544 OD2 ASP A 470 10.663 7.986 -5.872 1.00 0.00 O ATOM 0 H ASP A 470 6.888 4.667 -5.942 1.00 0.00 H new ATOM 0 HA ASP A 470 9.762 4.205 -6.273 1.00 0.00 H new ATOM 0 HB2 ASP A 470 9.095 6.153 -7.763 1.00 0.00 H new ATOM 0 HB3 ASP A 470 8.437 6.960 -6.353 1.00 0.00 H new ATOM 786 N GLY A 485 8.745 -0.280 4.509 1.00 0.00 N ATOM 787 CA GLY A 485 7.333 -0.677 4.662 1.00 0.00 C ATOM 788 C GLY A 485 6.334 0.313 4.052 1.00 0.00 C ATOM 789 O GLY A 485 5.144 0.238 4.352 1.00 0.00 O ATOM 0 HA2 GLY A 485 7.189 -1.653 4.199 1.00 0.00 H new ATOM 0 HA3 GLY A 485 7.112 -0.792 5.723 1.00 0.00 H new ATOM 793 N TYR A 486 6.787 1.235 3.199 1.00 0.00 N ATOM 794 CA TYR A 486 5.949 2.245 2.540 1.00 0.00 C ATOM 795 C TYR A 486 6.507 2.683 1.174 1.00 0.00 C ATOM 796 O TYR A 486 7.706 2.555 0.913 1.00 0.00 O ATOM 797 CB TYR A 486 5.722 3.450 3.474 1.00 0.00 C ATOM 798 CG TYR A 486 6.919 4.348 3.736 1.00 0.00 C ATOM 799 CD1 TYR A 486 7.291 5.328 2.793 1.00 0.00 C ATOM 800 CD2 TYR A 486 7.609 4.265 4.961 1.00 0.00 C ATOM 801 CE1 TYR A 486 8.346 6.217 3.069 1.00 0.00 C ATOM 802 CE2 TYR A 486 8.658 5.159 5.249 1.00 0.00 C ATOM 803 CZ TYR A 486 9.031 6.139 4.302 1.00 0.00 C ATOM 804 OH TYR A 486 10.036 7.018 4.578 1.00 0.00 O ATOM 0 H TYR A 486 7.771 1.303 2.940 1.00 0.00 H new ATOM 0 HA TYR A 486 4.985 1.780 2.335 1.00 0.00 H new ATOM 0 HB2 TYR A 486 4.924 4.061 3.052 1.00 0.00 H new ATOM 0 HB3 TYR A 486 5.363 3.074 4.432 1.00 0.00 H new ATOM 0 HD1 TYR A 486 6.763 5.397 1.853 1.00 0.00 H new ATOM 0 HD2 TYR A 486 7.332 3.511 5.683 1.00 0.00 H new ATOM 0 HE1 TYR A 486 8.632 6.959 2.338 1.00 0.00 H new ATOM 0 HE2 TYR A 486 9.177 5.096 6.194 1.00 0.00 H new ATOM 0 HH TYR A 486 10.401 6.828 5.467 1.00 0.00 H new ATOM 814 N ALA A 487 5.638 3.223 0.314 1.00 0.00 N ATOM 815 CA ALA A 487 5.981 3.701 -1.026 1.00 0.00 C ATOM 816 C ALA A 487 5.049 4.833 -1.487 1.00 0.00 C ATOM 817 O ALA A 487 4.007 5.095 -0.879 1.00 0.00 O ATOM 818 CB ALA A 487 5.956 2.507 -1.997 1.00 0.00 C ATOM 0 H ALA A 487 4.650 3.342 0.538 1.00 0.00 H new ATOM 0 HA ALA A 487 6.983 4.129 -1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 487 6.210 2.849 -3.000 1.00 0.00 H new ATOM 0 HB2 ALA A 487 6.681 1.760 -1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 487 4.959 2.066 -2.005 1.00 0.00 H new ATOM 824 N PHE A 488 5.434 5.478 -2.588 1.00 0.00 N ATOM 825 CA PHE A 488 4.692 6.519 -3.287 1.00 0.00 C ATOM 826 C PHE A 488 4.310 6.024 -4.686 1.00 0.00 C ATOM 827 O PHE A 488 5.166 5.738 -5.524 1.00 0.00 O ATOM 828 CB PHE A 488 5.547 7.792 -3.378 1.00 0.00 C ATOM 829 CG PHE A 488 5.811 8.473 -2.049 1.00 0.00 C ATOM 830 CD1 PHE A 488 4.885 9.403 -1.541 1.00 0.00 C ATOM 831 CD2 PHE A 488 6.991 8.197 -1.332 1.00 0.00 C ATOM 832 CE1 PHE A 488 5.149 10.069 -0.330 1.00 0.00 C ATOM 833 CE2 PHE A 488 7.249 8.855 -0.117 1.00 0.00 C ATOM 834 CZ PHE A 488 6.330 9.796 0.382 1.00 0.00 C ATOM 0 H PHE A 488 6.325 5.273 -3.040 1.00 0.00 H new ATOM 0 HA PHE A 488 3.780 6.752 -2.737 1.00 0.00 H new ATOM 0 HB2 PHE A 488 6.502 7.540 -3.838 1.00 0.00 H new ATOM 0 HB3 PHE A 488 5.051 8.500 -4.042 1.00 0.00 H new ATOM 0 HD1 PHE A 488 3.972 9.606 -2.081 1.00 0.00 H new ATOM 0 HD2 PHE A 488 7.699 7.478 -1.716 1.00 0.00 H new ATOM 0 HE1 PHE A 488 4.443 10.791 0.053 1.00 0.00 H new ATOM 0 HE2 PHE A 488 8.153 8.638 0.433 1.00 0.00 H new ATOM 0 HZ PHE A 488 6.532 10.308 1.311 1.00 0.00 H new ATOM 844 N LEU A 489 3.003 5.955 -4.936 1.00 0.00 N ATOM 845 CA LEU A 489 2.406 5.724 -6.248 1.00 0.00 C ATOM 846 C LEU A 489 2.348 7.048 -7.010 1.00 0.00 C ATOM 847 O LEU A 489 2.021 8.077 -6.414 1.00 0.00 O ATOM 848 CB LEU A 489 0.970 5.193 -6.087 1.00 0.00 C ATOM 849 CG LEU A 489 0.747 4.064 -5.066 1.00 0.00 C ATOM 850 CD1 LEU A 489 -0.752 3.767 -5.020 1.00 0.00 C ATOM 851 CD2 LEU A 489 1.534 2.788 -5.393 1.00 0.00 C ATOM 0 H LEU A 489 2.305 6.063 -4.200 1.00 0.00 H new ATOM 0 HA LEU A 489 3.009 4.995 -6.790 1.00 0.00 H new ATOM 0 HB2 LEU A 489 0.330 6.030 -5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 489 0.629 4.840 -7.060 1.00 0.00 H new ATOM 0 HG LEU A 489 1.116 4.398 -4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 489 -0.943 2.968 -4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 489 -1.292 4.664 -4.716 1.00 0.00 H new ATOM 0 HD13 LEU A 489 -1.092 3.456 -6.008 1.00 0.00 H new ATOM 0 HD21 LEU A 489 1.332 2.032 -4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 489 1.229 2.413 -6.370 1.00 0.00 H new ATOM 0 HD23 LEU A 489 2.601 3.012 -5.407 1.00 0.00 H new ATOM 863 N LEU A 490 2.589 6.999 -8.318 1.00 0.00 N ATOM 864 CA LEU A 490 2.431 8.104 -9.264 1.00 0.00 C ATOM 865 C LEU A 490 1.521 7.628 -10.403 1.00 0.00 C ATOM 866 O LEU A 490 1.952 6.815 -11.227 1.00 0.00 O ATOM 867 CB LEU A 490 3.807 8.507 -9.833 1.00 0.00 C ATOM 868 CG LEU A 490 4.945 8.823 -8.848 1.00 0.00 C ATOM 869 CD1 LEU A 490 6.219 9.082 -9.669 1.00 0.00 C ATOM 870 CD2 LEU A 490 4.620 10.030 -7.962 1.00 0.00 C ATOM 0 H LEU A 490 2.916 6.146 -8.771 1.00 0.00 H new ATOM 0 HA LEU A 490 1.994 8.968 -8.764 1.00 0.00 H new ATOM 0 HB2 LEU A 490 4.146 7.700 -10.483 1.00 0.00 H new ATOM 0 HB3 LEU A 490 3.661 9.384 -10.463 1.00 0.00 H new ATOM 0 HG LEU A 490 5.084 7.976 -8.176 1.00 0.00 H new ATOM 0 HD11 LEU A 490 7.046 9.309 -8.996 1.00 0.00 H new ATOM 0 HD12 LEU A 490 6.461 8.195 -10.254 1.00 0.00 H new ATOM 0 HD13 LEU A 490 6.055 9.925 -10.340 1.00 0.00 H new ATOM 0 HD21 LEU A 490 5.451 10.217 -7.282 1.00 0.00 H new ATOM 0 HD22 LEU A 490 4.459 10.908 -8.588 1.00 0.00 H new ATOM 0 HD23 LEU A 490 3.718 9.825 -7.385 1.00 0.00 H new ATOM 882 N PHE A 491 0.274 8.097 -10.447 1.00 0.00 N ATOM 883 CA PHE A 491 -0.705 7.705 -11.471 1.00 0.00 C ATOM 884 C PHE A 491 -0.575 8.549 -12.752 1.00 0.00 C ATOM 885 O PHE A 491 -0.092 9.683 -12.722 1.00 0.00 O ATOM 886 CB PHE A 491 -2.124 7.775 -10.884 1.00 0.00 C ATOM 887 CG PHE A 491 -2.412 6.733 -9.815 1.00 0.00 C ATOM 888 CD1 PHE A 491 -2.147 7.016 -8.461 1.00 0.00 C ATOM 889 CD2 PHE A 491 -2.950 5.477 -10.167 1.00 0.00 C ATOM 890 CE1 PHE A 491 -2.434 6.064 -7.468 1.00 0.00 C ATOM 891 CE2 PHE A 491 -3.216 4.519 -9.175 1.00 0.00 C ATOM 892 CZ PHE A 491 -2.970 4.815 -7.824 1.00 0.00 C ATOM 0 H PHE A 491 -0.092 8.765 -9.769 1.00 0.00 H new ATOM 0 HA PHE A 491 -0.499 6.676 -11.766 1.00 0.00 H new ATOM 0 HB2 PHE A 491 -2.280 8.767 -10.459 1.00 0.00 H new ATOM 0 HB3 PHE A 491 -2.845 7.657 -11.693 1.00 0.00 H new ATOM 0 HD1 PHE A 491 -1.721 7.969 -8.185 1.00 0.00 H new ATOM 0 HD2 PHE A 491 -3.158 5.252 -11.203 1.00 0.00 H new ATOM 0 HE1 PHE A 491 -2.242 6.293 -6.430 1.00 0.00 H new ATOM 0 HE2 PHE A 491 -3.611 3.552 -9.452 1.00 0.00 H new ATOM 0 HZ PHE A 491 -3.192 4.084 -7.061 1.00 0.00 H new ATOM 902 N GLN A 492 -1.036 8.008 -13.884 1.00 0.00 N ATOM 903 CA GLN A 492 -1.042 8.706 -15.179 1.00 0.00 C ATOM 904 C GLN A 492 -2.046 9.874 -15.212 1.00 0.00 C ATOM 905 O GLN A 492 -1.775 10.897 -15.838 1.00 0.00 O ATOM 906 CB GLN A 492 -1.356 7.679 -16.282 1.00 0.00 C ATOM 907 CG GLN A 492 -1.272 8.254 -17.706 1.00 0.00 C ATOM 908 CD GLN A 492 -1.539 7.191 -18.774 1.00 0.00 C ATOM 909 OE1 GLN A 492 -0.640 6.500 -19.238 1.00 0.00 O ATOM 910 NE2 GLN A 492 -2.771 7.005 -19.209 1.00 0.00 N ATOM 0 H GLN A 492 -1.420 7.064 -13.930 1.00 0.00 H new ATOM 0 HA GLN A 492 -0.059 9.148 -15.343 1.00 0.00 H new ATOM 0 HB2 GLN A 492 -0.662 6.843 -16.196 1.00 0.00 H new ATOM 0 HB3 GLN A 492 -2.357 7.280 -16.120 1.00 0.00 H new ATOM 0 HG2 GLN A 492 -1.994 9.063 -17.813 1.00 0.00 H new ATOM 0 HG3 GLN A 492 -0.284 8.686 -17.864 1.00 0.00 H new ATOM 0 HE21 GLN A 492 -3.534 7.570 -18.836 1.00 0.00 H new ATOM 0 HE22 GLN A 492 -2.960 6.297 -19.918 1.00 0.00 H new ATOM 919 N GLU A 493 -3.188 9.735 -14.528 1.00 0.00 N ATOM 920 CA GLU A 493 -4.338 10.646 -14.575 1.00 0.00 C ATOM 921 C GLU A 493 -4.935 10.811 -13.170 1.00 0.00 C ATOM 922 O GLU A 493 -5.004 9.854 -12.397 1.00 0.00 O ATOM 923 CB GLU A 493 -5.393 10.078 -15.541 1.00 0.00 C ATOM 924 CG GLU A 493 -4.995 10.269 -17.010 1.00 0.00 C ATOM 925 CD GLU A 493 -5.768 9.329 -17.942 1.00 0.00 C ATOM 926 OE1 GLU A 493 -6.963 9.585 -18.220 1.00 0.00 O ATOM 927 OE2 GLU A 493 -5.163 8.337 -18.417 1.00 0.00 O ATOM 0 H GLU A 493 -3.343 8.948 -13.898 1.00 0.00 H new ATOM 0 HA GLU A 493 -4.015 11.625 -14.929 1.00 0.00 H new ATOM 0 HB2 GLU A 493 -5.534 9.016 -15.339 1.00 0.00 H new ATOM 0 HB3 GLU A 493 -6.350 10.566 -15.359 1.00 0.00 H new ATOM 0 HG2 GLU A 493 -5.179 11.302 -17.304 1.00 0.00 H new ATOM 0 HG3 GLU A 493 -3.925 10.091 -17.122 1.00 0.00 H new ATOM 934 N GLU A 494 -5.368 12.027 -12.831 1.00 0.00 N ATOM 935 CA GLU A 494 -5.900 12.371 -11.505 1.00 0.00 C ATOM 936 C GLU A 494 -7.149 11.543 -11.158 1.00 0.00 C ATOM 937 O GLU A 494 -7.333 11.136 -10.009 1.00 0.00 O ATOM 938 CB GLU A 494 -6.220 13.877 -11.428 1.00 0.00 C ATOM 939 CG GLU A 494 -5.004 14.815 -11.562 1.00 0.00 C ATOM 940 CD GLU A 494 -4.432 14.971 -12.983 1.00 0.00 C ATOM 941 OE1 GLU A 494 -5.079 14.563 -13.975 1.00 0.00 O ATOM 942 OE2 GLU A 494 -3.291 15.474 -13.102 1.00 0.00 O ATOM 0 H GLU A 494 -5.360 12.815 -13.479 1.00 0.00 H new ATOM 0 HA GLU A 494 -5.130 12.132 -10.771 1.00 0.00 H new ATOM 0 HB2 GLU A 494 -6.935 14.121 -12.214 1.00 0.00 H new ATOM 0 HB3 GLU A 494 -6.711 14.079 -10.476 1.00 0.00 H new ATOM 0 HG2 GLU A 494 -5.287 15.801 -11.194 1.00 0.00 H new ATOM 0 HG3 GLU A 494 -4.212 14.447 -10.910 1.00 0.00 H new ATOM 949 N SER A 495 -7.955 11.187 -12.161 1.00 0.00 N ATOM 950 CA SER A 495 -9.138 10.332 -12.016 1.00 0.00 C ATOM 951 C SER A 495 -8.816 8.963 -11.393 1.00 0.00 C ATOM 952 O SER A 495 -9.655 8.394 -10.698 1.00 0.00 O ATOM 953 CB SER A 495 -9.804 10.125 -13.385 1.00 0.00 C ATOM 954 OG SER A 495 -10.081 11.367 -14.022 1.00 0.00 O ATOM 0 H SER A 495 -7.800 11.493 -13.122 1.00 0.00 H new ATOM 0 HA SER A 495 -9.816 10.846 -11.335 1.00 0.00 H new ATOM 0 HB2 SER A 495 -9.153 9.526 -14.021 1.00 0.00 H new ATOM 0 HB3 SER A 495 -10.730 9.564 -13.259 1.00 0.00 H new ATOM 0 HG SER A 495 -10.503 11.202 -14.891 1.00 0.00 H new ATOM 960 N SER A 496 -7.589 8.454 -11.550 1.00 0.00 N ATOM 961 CA SER A 496 -7.144 7.214 -10.901 1.00 0.00 C ATOM 962 C SER A 496 -6.976 7.379 -9.382 1.00 0.00 C ATOM 963 O SER A 496 -7.195 6.427 -8.635 1.00 0.00 O ATOM 964 CB SER A 496 -5.812 6.751 -11.506 1.00 0.00 C ATOM 965 OG SER A 496 -5.878 6.607 -12.919 1.00 0.00 O ATOM 0 H SER A 496 -6.874 8.891 -12.132 1.00 0.00 H new ATOM 0 HA SER A 496 -7.919 6.467 -11.076 1.00 0.00 H new ATOM 0 HB2 SER A 496 -5.032 7.469 -11.253 1.00 0.00 H new ATOM 0 HB3 SER A 496 -5.525 5.799 -11.060 1.00 0.00 H new ATOM 0 HG SER A 496 -6.376 5.793 -13.142 1.00 0.00 H new ATOM 971 N VAL A 497 -6.659 8.588 -8.904 1.00 0.00 N ATOM 972 CA VAL A 497 -6.554 8.876 -7.463 1.00 0.00 C ATOM 973 C VAL A 497 -7.950 9.020 -6.854 1.00 0.00 C ATOM 974 O VAL A 497 -8.187 8.535 -5.752 1.00 0.00 O ATOM 975 CB VAL A 497 -5.680 10.118 -7.174 1.00 0.00 C ATOM 976 CG1 VAL A 497 -5.567 10.397 -5.665 1.00 0.00 C ATOM 977 CG2 VAL A 497 -4.269 9.917 -7.749 1.00 0.00 C ATOM 0 H VAL A 497 -6.468 9.393 -9.500 1.00 0.00 H new ATOM 0 HA VAL A 497 -6.051 8.032 -6.991 1.00 0.00 H new ATOM 0 HB VAL A 497 -6.163 10.971 -7.650 1.00 0.00 H new ATOM 0 HG11 VAL A 497 -4.945 11.277 -5.503 1.00 0.00 H new ATOM 0 HG12 VAL A 497 -6.560 10.574 -5.252 1.00 0.00 H new ATOM 0 HG13 VAL A 497 -5.116 9.538 -5.169 1.00 0.00 H new ATOM 0 HG21 VAL A 497 -3.662 10.798 -7.540 1.00 0.00 H new ATOM 0 HG22 VAL A 497 -3.810 9.042 -7.289 1.00 0.00 H new ATOM 0 HG23 VAL A 497 -4.333 9.768 -8.827 1.00 0.00 H new ATOM 987 N GLN A 498 -8.909 9.601 -7.583 1.00 0.00 N ATOM 988 CA GLN A 498 -10.308 9.647 -7.148 1.00 0.00 C ATOM 989 C GLN A 498 -10.958 8.256 -7.164 1.00 0.00 C ATOM 990 O GLN A 498 -11.720 7.939 -6.253 1.00 0.00 O ATOM 991 CB GLN A 498 -11.069 10.628 -8.052 1.00 0.00 C ATOM 992 CG GLN A 498 -12.553 10.823 -7.693 1.00 0.00 C ATOM 993 CD GLN A 498 -12.779 11.312 -6.260 1.00 0.00 C ATOM 994 OE1 GLN A 498 -12.747 12.497 -5.959 1.00 0.00 O ATOM 995 NE2 GLN A 498 -12.997 10.415 -5.317 1.00 0.00 N ATOM 0 H GLN A 498 -8.739 10.049 -8.484 1.00 0.00 H new ATOM 0 HA GLN A 498 -10.349 9.991 -6.115 1.00 0.00 H new ATOM 0 HB2 GLN A 498 -10.571 11.597 -8.013 1.00 0.00 H new ATOM 0 HB3 GLN A 498 -11.003 10.277 -9.082 1.00 0.00 H new ATOM 0 HG2 GLN A 498 -12.995 11.539 -8.386 1.00 0.00 H new ATOM 0 HG3 GLN A 498 -13.079 9.879 -7.833 1.00 0.00 H new ATOM 0 HE21 GLN A 498 -13.026 9.423 -5.554 1.00 0.00 H new ATOM 0 HE22 GLN A 498 -13.136 10.713 -4.352 1.00 0.00 H new ATOM 1004 N ALA A 499 -10.628 7.411 -8.146 1.00 0.00 N ATOM 1005 CA ALA A 499 -11.054 6.008 -8.178 1.00 0.00 C ATOM 1006 C ALA A 499 -10.504 5.204 -6.988 1.00 0.00 C ATOM 1007 O ALA A 499 -11.225 4.380 -6.419 1.00 0.00 O ATOM 1008 CB ALA A 499 -10.622 5.376 -9.505 1.00 0.00 C ATOM 0 H ALA A 499 -10.055 7.682 -8.945 1.00 0.00 H new ATOM 0 HA ALA A 499 -12.141 5.983 -8.096 1.00 0.00 H new ATOM 0 HB1 ALA A 499 -10.938 4.333 -9.531 1.00 0.00 H new ATOM 0 HB2 ALA A 499 -11.083 5.915 -10.332 1.00 0.00 H new ATOM 0 HB3 ALA A 499 -9.537 5.429 -9.597 1.00 0.00 H new ATOM 1014 N LEU A 500 -9.259 5.475 -6.575 1.00 0.00 N ATOM 1015 CA LEU A 500 -8.677 4.921 -5.354 1.00 0.00 C ATOM 1016 C LEU A 500 -9.423 5.425 -4.110 1.00 0.00 C ATOM 1017 O LEU A 500 -9.833 4.615 -3.284 1.00 0.00 O ATOM 1018 CB LEU A 500 -7.165 5.227 -5.336 1.00 0.00 C ATOM 1019 CG LEU A 500 -6.442 4.918 -4.010 1.00 0.00 C ATOM 1020 CD1 LEU A 500 -6.613 3.469 -3.548 1.00 0.00 C ATOM 1021 CD2 LEU A 500 -4.945 5.202 -4.182 1.00 0.00 C ATOM 0 H LEU A 500 -8.626 6.090 -7.086 1.00 0.00 H new ATOM 0 HA LEU A 500 -8.792 3.837 -5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -6.687 4.656 -6.132 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -7.023 6.282 -5.570 1.00 0.00 H new ATOM 0 HG LEU A 500 -6.891 5.555 -3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -6.079 3.321 -2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -7.672 3.257 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -6.210 2.796 -4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -4.424 4.986 -3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -4.544 4.571 -4.976 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -4.801 6.250 -4.444 1.00 0.00 H new ATOM 1033 N ILE A 501 -9.665 6.734 -3.990 1.00 0.00 N ATOM 1034 CA ILE A 501 -10.436 7.336 -2.881 1.00 0.00 C ATOM 1035 C ILE A 501 -11.836 6.706 -2.768 1.00 0.00 C ATOM 1036 O ILE A 501 -12.281 6.389 -1.665 1.00 0.00 O ATOM 1037 CB ILE A 501 -10.502 8.876 -3.045 1.00 0.00 C ATOM 1038 CG1 ILE A 501 -9.108 9.515 -2.842 1.00 0.00 C ATOM 1039 CG2 ILE A 501 -11.502 9.507 -2.056 1.00 0.00 C ATOM 1040 CD1 ILE A 501 -8.980 10.943 -3.388 1.00 0.00 C ATOM 0 H ILE A 501 -9.329 7.420 -4.666 1.00 0.00 H new ATOM 0 HA ILE A 501 -9.920 7.124 -1.944 1.00 0.00 H new ATOM 0 HB ILE A 501 -10.843 9.074 -4.061 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -8.878 9.524 -1.777 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -8.360 8.886 -3.324 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -11.523 10.587 -2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -12.497 9.098 -2.234 1.00 0.00 H new ATOM 0 HG23 ILE A 501 -11.195 9.282 -1.035 1.00 0.00 H new ATOM 0 HD11 ILE A 501 -7.972 11.314 -3.204 1.00 0.00 H new ATOM 0 HD12 ILE A 501 -9.176 10.941 -4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 501 -9.702 11.590 -2.889 1.00 0.00 H new ATOM 1052 N ASP A 502 -12.507 6.463 -3.896 1.00 0.00 N ATOM 1053 CA ASP A 502 -13.833 5.835 -3.963 1.00 0.00 C ATOM 1054 C ASP A 502 -13.830 4.337 -3.577 1.00 0.00 C ATOM 1055 O ASP A 502 -14.879 3.791 -3.230 1.00 0.00 O ATOM 1056 CB ASP A 502 -14.400 6.049 -5.376 1.00 0.00 C ATOM 1057 CG ASP A 502 -15.865 5.595 -5.507 1.00 0.00 C ATOM 1058 OD1 ASP A 502 -16.748 6.231 -4.883 1.00 0.00 O ATOM 1059 OD2 ASP A 502 -16.133 4.631 -6.264 1.00 0.00 O ATOM 0 H ASP A 502 -12.135 6.703 -4.815 1.00 0.00 H new ATOM 0 HA ASP A 502 -14.471 6.313 -3.220 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -14.327 7.105 -5.635 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -13.789 5.502 -6.094 1.00 0.00 H new ATOM 1064 N ALA A 503 -12.660 3.686 -3.580 1.00 0.00 N ATOM 1065 CA ALA A 503 -12.466 2.301 -3.144 1.00 0.00 C ATOM 1066 C ALA A 503 -11.899 2.186 -1.714 1.00 0.00 C ATOM 1067 O ALA A 503 -11.941 1.099 -1.129 1.00 0.00 O ATOM 1068 CB ALA A 503 -11.552 1.609 -4.163 1.00 0.00 C ATOM 0 H ALA A 503 -11.795 4.125 -3.897 1.00 0.00 H new ATOM 0 HA ALA A 503 -13.438 1.810 -3.103 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -11.390 0.574 -3.863 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -12.021 1.632 -5.147 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -10.595 2.129 -4.205 1.00 0.00 H new ATOM 1074 N CYS A 504 -11.390 3.278 -1.135 1.00 0.00 N ATOM 1075 CA CYS A 504 -10.803 3.283 0.204 1.00 0.00 C ATOM 1076 C CYS A 504 -11.850 3.138 1.322 1.00 0.00 C ATOM 1077 O CYS A 504 -12.934 3.729 1.285 1.00 0.00 O ATOM 1078 CB CYS A 504 -9.988 4.568 0.423 1.00 0.00 C ATOM 1079 SG CYS A 504 -8.409 4.503 -0.470 1.00 0.00 S ATOM 0 H CYS A 504 -11.375 4.191 -1.589 1.00 0.00 H new ATOM 0 HA CYS A 504 -10.151 2.411 0.259 1.00 0.00 H new ATOM 0 HB2 CYS A 504 -10.564 5.429 0.086 1.00 0.00 H new ATOM 0 HB3 CYS A 504 -9.801 4.706 1.488 1.00 0.00 H new ATOM 0 HG CYS A 504 -8.633 4.531 -1.750 1.00 0.00 H new ATOM 1085 N LEU A 505 -11.473 2.372 2.346 1.00 0.00 N ATOM 1086 CA LEU A 505 -12.136 2.307 3.649 1.00 0.00 C ATOM 1087 C LEU A 505 -11.659 3.506 4.487 1.00 0.00 C ATOM 1088 O LEU A 505 -10.767 4.249 4.066 1.00 0.00 O ATOM 1089 CB LEU A 505 -11.779 0.971 4.337 1.00 0.00 C ATOM 1090 CG LEU A 505 -12.234 -0.289 3.577 1.00 0.00 C ATOM 1091 CD1 LEU A 505 -11.679 -1.537 4.277 1.00 0.00 C ATOM 1092 CD2 LEU A 505 -13.764 -0.386 3.474 1.00 0.00 C ATOM 0 H LEU A 505 -10.664 1.754 2.288 1.00 0.00 H new ATOM 0 HA LEU A 505 -13.220 2.352 3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 505 -10.698 0.926 4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 505 -12.226 0.960 5.331 1.00 0.00 H new ATOM 0 HG LEU A 505 -11.844 -0.222 2.561 1.00 0.00 H new ATOM 0 HD11 LEU A 505 -12.001 -2.429 3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 505 -10.590 -1.494 4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 505 -12.052 -1.576 5.301 1.00 0.00 H new ATOM 0 HD21 LEU A 505 -14.035 -1.291 2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 505 -14.195 -0.421 4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 505 -14.149 0.485 2.944 1.00 0.00 H new ATOM 1104 N GLU A 506 -12.205 3.674 5.687 1.00 0.00 N ATOM 1105 CA GLU A 506 -11.827 4.757 6.602 1.00 0.00 C ATOM 1106 C GLU A 506 -11.818 4.268 8.058 1.00 0.00 C ATOM 1107 O GLU A 506 -12.782 3.658 8.525 1.00 0.00 O ATOM 1108 CB GLU A 506 -12.757 5.966 6.404 1.00 0.00 C ATOM 1109 CG GLU A 506 -12.227 7.226 7.102 1.00 0.00 C ATOM 1110 CD GLU A 506 -13.218 8.390 6.954 1.00 0.00 C ATOM 1111 OE1 GLU A 506 -13.124 9.150 5.963 1.00 0.00 O ATOM 1112 OE2 GLU A 506 -14.096 8.553 7.834 1.00 0.00 O ATOM 0 H GLU A 506 -12.929 3.060 6.059 1.00 0.00 H new ATOM 0 HA GLU A 506 -10.811 5.078 6.370 1.00 0.00 H new ATOM 0 HB2 GLU A 506 -12.871 6.164 5.338 1.00 0.00 H new ATOM 0 HB3 GLU A 506 -13.748 5.728 6.791 1.00 0.00 H new ATOM 0 HG2 GLU A 506 -12.059 7.018 8.159 1.00 0.00 H new ATOM 0 HG3 GLU A 506 -11.264 7.506 6.675 1.00 0.00 H new ATOM 1175 N LEU A 511 -7.538 6.932 5.560 1.00 0.00 N ATOM 1176 CA LEU A 511 -8.001 6.041 4.486 1.00 0.00 C ATOM 1177 C LEU A 511 -7.171 4.753 4.425 1.00 0.00 C ATOM 1178 O LEU A 511 -5.975 4.762 4.713 1.00 0.00 O ATOM 1179 CB LEU A 511 -7.999 6.778 3.132 1.00 0.00 C ATOM 1180 CG LEU A 511 -8.961 7.978 3.022 1.00 0.00 C ATOM 1181 CD1 LEU A 511 -8.858 8.571 1.607 1.00 0.00 C ATOM 1182 CD2 LEU A 511 -10.421 7.599 3.316 1.00 0.00 C ATOM 0 HA LEU A 511 -9.027 5.749 4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 511 -6.986 7.128 2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 511 -8.250 6.062 2.349 1.00 0.00 H new ATOM 0 HG LEU A 511 -8.665 8.709 3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 511 -9.535 9.421 1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 511 -7.835 8.901 1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 511 -9.131 7.812 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 511 -11.052 8.483 3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 511 -10.751 6.842 2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 511 -10.497 7.203 4.329 1.00 0.00 H new ATOM 1194 N TYR A 512 -7.802 3.649 4.019 1.00 0.00 N ATOM 1195 CA TYR A 512 -7.191 2.315 3.934 1.00 0.00 C ATOM 1196 C TYR A 512 -7.638 1.505 2.705 1.00 0.00 C ATOM 1197 O TYR A 512 -8.760 1.652 2.222 1.00 0.00 O ATOM 1198 CB TYR A 512 -7.460 1.522 5.227 1.00 0.00 C ATOM 1199 CG TYR A 512 -6.522 1.844 6.376 1.00 0.00 C ATOM 1200 CD1 TYR A 512 -6.808 2.887 7.276 1.00 0.00 C ATOM 1201 CD2 TYR A 512 -5.355 1.075 6.547 1.00 0.00 C ATOM 1202 CE1 TYR A 512 -5.920 3.172 8.332 1.00 0.00 C ATOM 1203 CE2 TYR A 512 -4.466 1.349 7.601 1.00 0.00 C ATOM 1204 CZ TYR A 512 -4.745 2.405 8.497 1.00 0.00 C ATOM 1205 OH TYR A 512 -3.880 2.687 9.512 1.00 0.00 O ATOM 0 H TYR A 512 -8.781 3.656 3.731 1.00 0.00 H new ATOM 0 HA TYR A 512 -6.120 2.478 3.815 1.00 0.00 H new ATOM 0 HB2 TYR A 512 -8.484 1.713 5.548 1.00 0.00 H new ATOM 0 HB3 TYR A 512 -7.389 0.457 5.005 1.00 0.00 H new ATOM 0 HD1 TYR A 512 -7.709 3.470 7.157 1.00 0.00 H new ATOM 0 HD2 TYR A 512 -5.141 0.268 5.862 1.00 0.00 H new ATOM 0 HE1 TYR A 512 -6.138 3.978 9.017 1.00 0.00 H new ATOM 0 HE2 TYR A 512 -3.573 0.754 7.725 1.00 0.00 H new ATOM 0 HH TYR A 512 -3.125 2.063 9.481 1.00 0.00 H new ATOM 1215 N LEU A 513 -6.774 0.599 2.235 1.00 0.00 N ATOM 1216 CA LEU A 513 -7.030 -0.343 1.137 1.00 0.00 C ATOM 1217 C LEU A 513 -6.418 -1.715 1.470 1.00 0.00 C ATOM 1218 O LEU A 513 -5.543 -1.798 2.332 1.00 0.00 O ATOM 1219 CB LEU A 513 -6.425 0.238 -0.159 1.00 0.00 C ATOM 1220 CG LEU A 513 -7.112 -0.269 -1.440 1.00 0.00 C ATOM 1221 CD1 LEU A 513 -8.413 0.515 -1.685 1.00 0.00 C ATOM 1222 CD2 LEU A 513 -6.195 -0.117 -2.653 1.00 0.00 C ATOM 0 H LEU A 513 -5.837 0.497 2.625 1.00 0.00 H new ATOM 0 HA LEU A 513 -8.102 -0.483 0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -6.493 1.325 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 513 -5.365 -0.014 -0.201 1.00 0.00 H new ATOM 0 HG LEU A 513 -7.338 -1.327 -1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -8.892 0.150 -2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -9.086 0.377 -0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 513 -8.184 1.575 -1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -6.706 -0.483 -3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -5.940 0.934 -2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -5.284 -0.694 -2.495 1.00 0.00 H new ATOM 1234 N CYS A 514 -6.847 -2.786 0.798 1.00 0.00 N ATOM 1235 CA CYS A 514 -6.342 -4.152 0.983 1.00 0.00 C ATOM 1236 C CYS A 514 -5.278 -4.545 -0.070 1.00 0.00 C ATOM 1237 O CYS A 514 -5.436 -4.243 -1.256 1.00 0.00 O ATOM 1238 CB CYS A 514 -7.548 -5.109 0.999 1.00 0.00 C ATOM 1239 SG CYS A 514 -8.549 -4.951 -0.518 1.00 0.00 S ATOM 0 H CYS A 514 -7.577 -2.727 0.088 1.00 0.00 H new ATOM 0 HA CYS A 514 -5.816 -4.218 1.935 1.00 0.00 H new ATOM 0 HB2 CYS A 514 -7.197 -6.136 1.099 1.00 0.00 H new ATOM 0 HB3 CYS A 514 -8.169 -4.898 1.869 1.00 0.00 H new ATOM 0 HG CYS A 514 -7.763 -4.806 -1.543 1.00 0.00 H new ATOM 1245 N VAL A 515 -4.217 -5.240 0.359 1.00 0.00 N ATOM 1246 CA VAL A 515 -3.117 -5.783 -0.477 1.00 0.00 C ATOM 1247 C VAL A 515 -2.566 -7.090 0.130 1.00 0.00 C ATOM 1248 O VAL A 515 -2.977 -7.481 1.220 1.00 0.00 O ATOM 1249 CB VAL A 515 -1.962 -4.766 -0.691 1.00 0.00 C ATOM 1250 CG1 VAL A 515 -2.416 -3.473 -1.388 1.00 0.00 C ATOM 1251 CG2 VAL A 515 -1.241 -4.408 0.620 1.00 0.00 C ATOM 0 H VAL A 515 -4.088 -5.455 1.348 1.00 0.00 H new ATOM 0 HA VAL A 515 -3.547 -5.990 -1.457 1.00 0.00 H new ATOM 0 HB VAL A 515 -1.262 -5.281 -1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -1.563 -2.805 -1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -2.829 -3.713 -2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -3.179 -2.982 -0.783 1.00 0.00 H new ATOM 0 HG21 VAL A 515 -0.443 -3.694 0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -1.952 -3.965 1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -0.816 -5.310 1.059 1.00 0.00 H new ATOM 1261 N SER A 516 -1.626 -7.770 -0.539 1.00 0.00 N ATOM 1262 CA SER A 516 -1.001 -9.010 -0.037 1.00 0.00 C ATOM 1263 C SER A 516 0.337 -9.364 -0.725 1.00 0.00 C ATOM 1264 O SER A 516 0.727 -8.761 -1.725 1.00 0.00 O ATOM 1265 CB SER A 516 -1.990 -10.187 -0.131 1.00 0.00 C ATOM 1266 OG SER A 516 -2.277 -10.597 -1.460 1.00 0.00 O ATOM 0 H SER A 516 -1.273 -7.477 -1.450 1.00 0.00 H new ATOM 0 HA SER A 516 -0.754 -8.821 1.008 1.00 0.00 H new ATOM 0 HB2 SER A 516 -1.583 -11.035 0.420 1.00 0.00 H new ATOM 0 HB3 SER A 516 -2.921 -9.905 0.360 1.00 0.00 H new ATOM 0 HG SER A 516 -3.220 -10.857 -1.526 1.00 0.00 H new ATOM 1272 N SER A 517 1.043 -10.364 -0.192 1.00 0.00 N ATOM 1273 CA SER A 517 2.326 -10.898 -0.675 1.00 0.00 C ATOM 1274 C SER A 517 2.354 -12.446 -0.574 1.00 0.00 C ATOM 1275 O SER A 517 1.362 -13.045 -0.134 1.00 0.00 O ATOM 1276 CB SER A 517 3.456 -10.267 0.158 1.00 0.00 C ATOM 1277 OG SER A 517 3.543 -10.881 1.438 1.00 0.00 O ATOM 0 H SER A 517 0.717 -10.855 0.640 1.00 0.00 H new ATOM 0 HA SER A 517 2.461 -10.645 -1.727 1.00 0.00 H new ATOM 0 HB2 SER A 517 4.405 -10.375 -0.367 1.00 0.00 H new ATOM 0 HB3 SER A 517 3.275 -9.198 0.274 1.00 0.00 H new ATOM 0 HG SER A 517 4.268 -10.467 1.951 1.00 0.00 H new ATOM 1283 N PRO A 518 3.467 -13.128 -0.929 1.00 0.00 N ATOM 1284 CA PRO A 518 3.631 -14.567 -0.715 1.00 0.00 C ATOM 1285 C PRO A 518 3.681 -14.985 0.766 1.00 0.00 C ATOM 1286 O PRO A 518 3.599 -16.182 1.050 1.00 0.00 O ATOM 1287 CB PRO A 518 4.934 -14.954 -1.429 1.00 0.00 C ATOM 1288 CG PRO A 518 5.150 -13.828 -2.437 1.00 0.00 C ATOM 1289 CD PRO A 518 4.604 -12.622 -1.681 1.00 0.00 C ATOM 0 HA PRO A 518 2.760 -15.087 -1.112 1.00 0.00 H new ATOM 0 HB2 PRO A 518 5.766 -15.028 -0.729 1.00 0.00 H new ATOM 0 HB3 PRO A 518 4.846 -15.921 -1.924 1.00 0.00 H new ATOM 0 HG2 PRO A 518 6.202 -13.707 -2.695 1.00 0.00 H new ATOM 0 HG3 PRO A 518 4.612 -14.004 -3.368 1.00 0.00 H new ATOM 0 HD2 PRO A 518 5.358 -12.198 -1.018 1.00 0.00 H new ATOM 0 HD3 PRO A 518 4.302 -11.831 -2.367 1.00 0.00 H new ATOM 1297 N THR A 519 3.815 -14.029 1.702 1.00 0.00 N ATOM 1298 CA THR A 519 4.000 -14.276 3.142 1.00 0.00 C ATOM 1299 C THR A 519 2.937 -13.621 4.023 1.00 0.00 C ATOM 1300 O THR A 519 2.674 -14.132 5.111 1.00 0.00 O ATOM 1301 CB THR A 519 5.394 -13.817 3.592 1.00 0.00 C ATOM 1302 OG1 THR A 519 5.585 -12.464 3.235 1.00 0.00 O ATOM 1303 CG2 THR A 519 6.507 -14.646 2.950 1.00 0.00 C ATOM 0 H THR A 519 3.797 -13.036 1.471 1.00 0.00 H new ATOM 0 HA THR A 519 3.896 -15.353 3.272 1.00 0.00 H new ATOM 0 HB THR A 519 5.444 -13.948 4.673 1.00 0.00 H new ATOM 0 HG1 THR A 519 6.475 -12.172 3.524 1.00 0.00 H new ATOM 0 HG21 THR A 519 7.475 -14.286 3.297 1.00 0.00 H new ATOM 0 HG22 THR A 519 6.388 -15.693 3.229 1.00 0.00 H new ATOM 0 HG23 THR A 519 6.452 -14.551 1.866 1.00 0.00 H new ATOM 1311 N ILE A 520 2.290 -12.545 3.564 1.00 0.00 N ATOM 1312 CA ILE A 520 1.305 -11.754 4.324 1.00 0.00 C ATOM 1313 C ILE A 520 0.036 -11.569 3.486 1.00 0.00 C ATOM 1314 O ILE A 520 0.090 -11.081 2.358 1.00 0.00 O ATOM 1315 CB ILE A 520 1.905 -10.378 4.710 1.00 0.00 C ATOM 1316 CG1 ILE A 520 3.278 -10.424 5.423 1.00 0.00 C ATOM 1317 CG2 ILE A 520 0.915 -9.569 5.562 1.00 0.00 C ATOM 1318 CD1 ILE A 520 3.299 -11.084 6.807 1.00 0.00 C ATOM 0 H ILE A 520 2.440 -12.185 2.621 1.00 0.00 H new ATOM 0 HA ILE A 520 1.049 -12.286 5.241 1.00 0.00 H new ATOM 0 HB ILE A 520 2.085 -9.889 3.752 1.00 0.00 H new ATOM 0 HG12 ILE A 520 3.981 -10.954 4.780 1.00 0.00 H new ATOM 0 HG13 ILE A 520 3.646 -9.403 5.524 1.00 0.00 H new ATOM 0 HG21 ILE A 520 1.359 -8.607 5.820 1.00 0.00 H new ATOM 0 HG22 ILE A 520 -0.002 -9.405 4.997 1.00 0.00 H new ATOM 0 HG23 ILE A 520 0.685 -10.120 6.474 1.00 0.00 H new ATOM 0 HD11 ILE A 520 4.312 -11.058 7.207 1.00 0.00 H new ATOM 0 HD12 ILE A 520 2.630 -10.545 7.477 1.00 0.00 H new ATOM 0 HD13 ILE A 520 2.970 -12.120 6.721 1.00 0.00 H new ATOM 1330 N LYS A 521 -1.118 -11.939 4.042 1.00 0.00 N ATOM 1331 CA LYS A 521 -2.404 -11.991 3.336 1.00 0.00 C ATOM 1332 C LYS A 521 -3.467 -11.082 3.986 1.00 0.00 C ATOM 1333 O LYS A 521 -3.503 -10.933 5.209 1.00 0.00 O ATOM 1334 CB LYS A 521 -2.866 -13.459 3.273 1.00 0.00 C ATOM 1335 CG LYS A 521 -1.932 -14.422 2.507 1.00 0.00 C ATOM 1336 CD LYS A 521 -1.615 -14.045 1.050 1.00 0.00 C ATOM 1337 CE LYS A 521 -2.868 -13.960 0.164 1.00 0.00 C ATOM 1338 NZ LYS A 521 -2.538 -13.548 -1.227 1.00 0.00 N ATOM 0 H LYS A 521 -1.189 -12.218 5.020 1.00 0.00 H new ATOM 0 HA LYS A 521 -2.271 -11.606 2.325 1.00 0.00 H new ATOM 0 HB2 LYS A 521 -2.982 -13.828 4.292 1.00 0.00 H new ATOM 0 HB3 LYS A 521 -3.851 -13.491 2.808 1.00 0.00 H new ATOM 0 HG2 LYS A 521 -0.992 -14.495 3.054 1.00 0.00 H new ATOM 0 HG3 LYS A 521 -2.383 -15.414 2.514 1.00 0.00 H new ATOM 0 HD2 LYS A 521 -1.099 -13.085 1.033 1.00 0.00 H new ATOM 0 HD3 LYS A 521 -0.930 -14.782 0.631 1.00 0.00 H new ATOM 0 HE2 LYS A 521 -3.367 -14.929 0.147 1.00 0.00 H new ATOM 0 HE3 LYS A 521 -3.571 -13.248 0.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 521 -3.348 -13.744 -1.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 521 -2.325 -12.530 -1.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 521 -1.709 -14.081 -1.560 1.00 0.00 H new ATOM 1352 N ASP A 522 -4.315 -10.464 3.148 1.00 0.00 N ATOM 1353 CA ASP A 522 -5.438 -9.574 3.556 1.00 0.00 C ATOM 1354 C ASP A 522 -4.958 -8.326 4.337 1.00 0.00 C ATOM 1355 O ASP A 522 -5.656 -7.805 5.209 1.00 0.00 O ATOM 1356 CB ASP A 522 -6.514 -10.379 4.317 1.00 0.00 C ATOM 1357 CG ASP A 522 -7.074 -11.544 3.486 1.00 0.00 C ATOM 1358 OD1 ASP A 522 -7.837 -11.281 2.526 1.00 0.00 O ATOM 1359 OD2 ASP A 522 -6.758 -12.716 3.798 1.00 0.00 O ATOM 0 H ASP A 522 -4.244 -10.566 2.136 1.00 0.00 H new ATOM 0 HA ASP A 522 -5.898 -9.182 2.649 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -6.086 -10.768 5.241 1.00 0.00 H new ATOM 0 HB3 ASP A 522 -7.330 -9.713 4.599 1.00 0.00 H new ATOM 1364 N LYS A 523 -3.746 -7.841 4.039 1.00 0.00 N ATOM 1365 CA LYS A 523 -3.121 -6.710 4.734 1.00 0.00 C ATOM 1366 C LYS A 523 -3.847 -5.381 4.422 1.00 0.00 C ATOM 1367 O LYS A 523 -3.993 -5.052 3.235 1.00 0.00 O ATOM 1368 CB LYS A 523 -1.639 -6.629 4.319 1.00 0.00 C ATOM 1369 CG LYS A 523 -0.831 -5.593 5.121 1.00 0.00 C ATOM 1370 CD LYS A 523 -0.504 -6.042 6.552 1.00 0.00 C ATOM 1371 CE LYS A 523 0.343 -4.968 7.246 1.00 0.00 C ATOM 1372 NZ LYS A 523 0.664 -5.332 8.652 1.00 0.00 N ATOM 0 H LYS A 523 -3.164 -8.230 3.297 1.00 0.00 H new ATOM 0 HA LYS A 523 -3.196 -6.871 5.809 1.00 0.00 H new ATOM 0 HB2 LYS A 523 -1.181 -7.610 4.444 1.00 0.00 H new ATOM 0 HB3 LYS A 523 -1.580 -6.382 3.259 1.00 0.00 H new ATOM 0 HG2 LYS A 523 0.099 -5.383 4.594 1.00 0.00 H new ATOM 0 HG3 LYS A 523 -1.392 -4.659 5.161 1.00 0.00 H new ATOM 0 HD2 LYS A 523 -1.425 -6.211 7.111 1.00 0.00 H new ATOM 0 HD3 LYS A 523 0.035 -6.989 6.533 1.00 0.00 H new ATOM 0 HE2 LYS A 523 1.269 -4.821 6.689 1.00 0.00 H new ATOM 0 HE3 LYS A 523 -0.192 -4.019 7.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 523 1.237 -4.579 9.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 523 -0.218 -5.447 9.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 523 1.198 -6.225 8.666 1.00 0.00 H new ATOM 1386 N PRO A 524 -4.253 -4.595 5.442 1.00 0.00 N ATOM 1387 CA PRO A 524 -4.742 -3.239 5.261 1.00 0.00 C ATOM 1388 C PRO A 524 -3.544 -2.281 5.202 1.00 0.00 C ATOM 1389 O PRO A 524 -2.650 -2.338 6.046 1.00 0.00 O ATOM 1390 CB PRO A 524 -5.643 -2.977 6.470 1.00 0.00 C ATOM 1391 CG PRO A 524 -5.012 -3.810 7.587 1.00 0.00 C ATOM 1392 CD PRO A 524 -4.268 -4.936 6.860 1.00 0.00 C ATOM 0 HA PRO A 524 -5.300 -3.093 4.336 1.00 0.00 H new ATOM 0 HB2 PRO A 524 -5.669 -1.918 6.727 1.00 0.00 H new ATOM 0 HB3 PRO A 524 -6.671 -3.283 6.276 1.00 0.00 H new ATOM 0 HG2 PRO A 524 -4.331 -3.211 8.191 1.00 0.00 H new ATOM 0 HG3 PRO A 524 -5.771 -4.207 8.261 1.00 0.00 H new ATOM 0 HD2 PRO A 524 -3.252 -5.036 7.243 1.00 0.00 H new ATOM 0 HD3 PRO A 524 -4.765 -5.893 7.021 1.00 0.00 H new ATOM 1400 N VAL A 525 -3.532 -1.397 4.204 1.00 0.00 N ATOM 1401 CA VAL A 525 -2.490 -0.377 3.990 1.00 0.00 C ATOM 1402 C VAL A 525 -3.091 1.025 3.996 1.00 0.00 C ATOM 1403 O VAL A 525 -4.135 1.253 3.389 1.00 0.00 O ATOM 1404 CB VAL A 525 -1.685 -0.615 2.693 1.00 0.00 C ATOM 1405 CG1 VAL A 525 -0.709 -1.776 2.916 1.00 0.00 C ATOM 1406 CG2 VAL A 525 -2.541 -0.882 1.438 1.00 0.00 C ATOM 0 H VAL A 525 -4.267 -1.365 3.497 1.00 0.00 H new ATOM 0 HA VAL A 525 -1.791 -0.465 4.822 1.00 0.00 H new ATOM 0 HB VAL A 525 -1.158 0.317 2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -0.137 -1.950 2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -0.028 -1.528 3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -1.267 -2.677 3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -1.888 -1.037 0.579 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -3.151 -1.772 1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -3.190 -0.026 1.251 1.00 0.00 H new ATOM 1416 N GLN A 526 -2.448 1.944 4.718 1.00 0.00 N ATOM 1417 CA GLN A 526 -2.912 3.317 4.910 1.00 0.00 C ATOM 1418 C GLN A 526 -2.616 4.141 3.653 1.00 0.00 C ATOM 1419 O GLN A 526 -1.481 4.167 3.184 1.00 0.00 O ATOM 1420 CB GLN A 526 -2.226 3.930 6.143 1.00 0.00 C ATOM 1421 CG GLN A 526 -2.931 5.220 6.604 1.00 0.00 C ATOM 1422 CD GLN A 526 -2.242 5.872 7.802 1.00 0.00 C ATOM 1423 OE1 GLN A 526 -1.712 6.975 7.730 1.00 0.00 O ATOM 1424 NE2 GLN A 526 -2.220 5.234 8.953 1.00 0.00 N ATOM 0 H GLN A 526 -1.569 1.748 5.197 1.00 0.00 H new ATOM 0 HA GLN A 526 -3.989 3.320 5.079 1.00 0.00 H new ATOM 0 HB2 GLN A 526 -2.225 3.205 6.957 1.00 0.00 H new ATOM 0 HB3 GLN A 526 -1.184 4.148 5.909 1.00 0.00 H new ATOM 0 HG2 GLN A 526 -2.960 5.929 5.777 1.00 0.00 H new ATOM 0 HG3 GLN A 526 -3.964 4.991 6.864 1.00 0.00 H new ATOM 0 HE21 GLN A 526 -2.655 4.315 9.035 1.00 0.00 H new ATOM 0 HE22 GLN A 526 -1.768 5.659 9.763 1.00 0.00 H new ATOM 1433 N ILE A 527 -3.628 4.824 3.117 1.00 0.00 N ATOM 1434 CA ILE A 527 -3.561 5.575 1.857 1.00 0.00 C ATOM 1435 C ILE A 527 -3.604 7.077 2.162 1.00 0.00 C ATOM 1436 O ILE A 527 -4.457 7.534 2.926 1.00 0.00 O ATOM 1437 CB ILE A 527 -4.737 5.166 0.931 1.00 0.00 C ATOM 1438 CG1 ILE A 527 -4.894 3.638 0.755 1.00 0.00 C ATOM 1439 CG2 ILE A 527 -4.617 5.832 -0.451 1.00 0.00 C ATOM 1440 CD1 ILE A 527 -3.662 2.906 0.212 1.00 0.00 C ATOM 0 H ILE A 527 -4.546 4.873 3.559 1.00 0.00 H new ATOM 0 HA ILE A 527 -2.629 5.346 1.341 1.00 0.00 H new ATOM 0 HB ILE A 527 -5.634 5.522 1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 527 -5.157 3.204 1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 527 -5.731 3.452 0.083 1.00 0.00 H new ATOM 0 HG21 ILE A 527 -5.455 5.526 -1.077 1.00 0.00 H new ATOM 0 HG22 ILE A 527 -4.628 6.916 -0.335 1.00 0.00 H new ATOM 0 HG23 ILE A 527 -3.683 5.527 -0.922 1.00 0.00 H new ATOM 0 HD11 ILE A 527 -3.879 1.841 0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 527 -3.406 3.303 -0.770 1.00 0.00 H new ATOM 0 HD13 ILE A 527 -2.823 3.052 0.892 1.00 0.00 H new ATOM 1452 N ARG A 528 -2.703 7.849 1.548 1.00 0.00 N ATOM 1453 CA ARG A 528 -2.603 9.305 1.716 1.00 0.00 C ATOM 1454 C ARG A 528 -2.304 9.979 0.365 1.00 0.00 C ATOM 1455 O ARG A 528 -1.130 10.085 -0.004 1.00 0.00 O ATOM 1456 CB ARG A 528 -1.515 9.636 2.755 1.00 0.00 C ATOM 1457 CG ARG A 528 -1.910 9.355 4.208 1.00 0.00 C ATOM 1458 CD ARG A 528 -0.829 9.890 5.155 1.00 0.00 C ATOM 1459 NE ARG A 528 -1.134 9.537 6.547 1.00 0.00 N ATOM 1460 CZ ARG A 528 -1.242 10.341 7.595 1.00 0.00 C ATOM 1461 NH1 ARG A 528 -1.114 11.652 7.528 1.00 0.00 N ATOM 1462 NH2 ARG A 528 -1.491 9.790 8.760 1.00 0.00 N ATOM 0 H ARG A 528 -2.006 7.472 0.905 1.00 0.00 H new ATOM 0 HA ARG A 528 -3.555 9.692 2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 528 -0.619 9.061 2.519 1.00 0.00 H new ATOM 0 HB3 ARG A 528 -1.251 10.690 2.662 1.00 0.00 H new ATOM 0 HG2 ARG A 528 -2.867 9.826 4.431 1.00 0.00 H new ATOM 0 HG3 ARG A 528 -2.039 8.283 4.358 1.00 0.00 H new ATOM 0 HD2 ARG A 528 0.141 9.480 4.875 1.00 0.00 H new ATOM 0 HD3 ARG A 528 -0.757 10.973 5.057 1.00 0.00 H new ATOM 0 HE ARG A 528 -1.282 8.545 6.731 1.00 0.00 H new ATOM 0 HH11 ARG A 528 -0.921 12.100 6.632 1.00 0.00 H new ATOM 0 HH12 ARG A 528 -1.208 12.217 8.372 1.00 0.00 H new ATOM 0 HH21 ARG A 528 -1.594 8.778 8.834 1.00 0.00 H new ATOM 0 HH22 ARG A 528 -1.581 10.374 9.591 1.00 0.00 H new ATOM 1476 N PRO A 529 -3.333 10.439 -0.376 1.00 0.00 N ATOM 1477 CA PRO A 529 -3.156 11.273 -1.562 1.00 0.00 C ATOM 1478 C PRO A 529 -2.392 12.543 -1.189 1.00 0.00 C ATOM 1479 O PRO A 529 -2.692 13.151 -0.165 1.00 0.00 O ATOM 1480 CB PRO A 529 -4.569 11.584 -2.070 1.00 0.00 C ATOM 1481 CG PRO A 529 -5.418 10.450 -1.498 1.00 0.00 C ATOM 1482 CD PRO A 529 -4.750 10.190 -0.150 1.00 0.00 C ATOM 0 HA PRO A 529 -2.574 10.777 -2.339 1.00 0.00 H new ATOM 0 HB2 PRO A 529 -4.914 12.557 -1.722 1.00 0.00 H new ATOM 0 HB3 PRO A 529 -4.608 11.603 -3.159 1.00 0.00 H new ATOM 0 HG2 PRO A 529 -6.462 10.741 -1.385 1.00 0.00 H new ATOM 0 HG3 PRO A 529 -5.401 9.567 -2.137 1.00 0.00 H new ATOM 0 HD2 PRO A 529 -5.148 10.849 0.621 1.00 0.00 H new ATOM 0 HD3 PRO A 529 -4.922 9.167 0.185 1.00 0.00 H new ATOM 1490 N TRP A 530 -1.404 12.953 -1.990 1.00 0.00 N ATOM 1491 CA TRP A 530 -0.465 14.019 -1.606 1.00 0.00 C ATOM 1492 C TRP A 530 -1.097 15.424 -1.474 1.00 0.00 C ATOM 1493 O TRP A 530 -0.518 16.315 -0.852 1.00 0.00 O ATOM 1494 CB TRP A 530 0.725 13.999 -2.572 1.00 0.00 C ATOM 1495 CG TRP A 530 1.912 14.790 -2.111 1.00 0.00 C ATOM 1496 CD1 TRP A 530 2.358 15.944 -2.656 1.00 0.00 C ATOM 1497 CD2 TRP A 530 2.800 14.511 -0.985 1.00 0.00 C ATOM 1498 NE1 TRP A 530 3.452 16.401 -1.948 1.00 0.00 N ATOM 1499 CE2 TRP A 530 3.769 15.556 -0.904 1.00 0.00 C ATOM 1500 CE3 TRP A 530 2.891 13.474 -0.030 1.00 0.00 C ATOM 1501 CZ2 TRP A 530 4.773 15.576 0.075 1.00 0.00 C ATOM 1502 CZ3 TRP A 530 3.892 13.486 0.961 1.00 0.00 C ATOM 1503 CH2 TRP A 530 4.832 14.532 1.015 1.00 0.00 C ATOM 0 H TRP A 530 -1.231 12.561 -2.916 1.00 0.00 H new ATOM 0 HA TRP A 530 -0.125 13.804 -0.593 1.00 0.00 H new ATOM 0 HB2 TRP A 530 1.032 12.965 -2.729 1.00 0.00 H new ATOM 0 HB3 TRP A 530 0.399 14.385 -3.538 1.00 0.00 H new ATOM 0 HD1 TRP A 530 1.924 16.434 -3.515 1.00 0.00 H new ATOM 0 HE1 TRP A 530 3.962 17.256 -2.169 1.00 0.00 H new ATOM 0 HE3 TRP A 530 2.182 12.660 -0.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 530 5.491 16.382 0.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 530 3.938 12.686 1.685 1.00 0.00 H new ATOM 0 HH2 TRP A 530 5.597 14.533 1.777 1.00 0.00 H new