USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=14 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 -89:sc= 1.13 USER MOD Set 1.2: A 519 THR OG1 : rot 5:sc= 0.348 USER MOD Set 2.1: A 516 SER OG : rot 110:sc= 1.01 USER MOD Set 2.2: A 521 LYS NZ :NH3+ 172:sc= 0.529 (180deg=-0.000626) USER MOD Set 3.1: A 512 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 526 GLN : amide:sc= 0.591 K(o=0.59,f=-2.6!) USER MOD Single : A 442 LYS NZ :NH3+ -173:sc= 0.0459 (180deg=0.0397) USER MOD Single : A 458 THR OG1 : rot 64:sc= 1.21 USER MOD Single : A 460 SER OG : rot 68:sc= 1.26 USER MOD Single : A 486 TYR OH : rot 180:sc= 0 USER MOD Single : A 492 GLN : amide:sc= 0.54 K(o=0.54,f=-0.0031) USER MOD Single : A 495 SER OG : rot 180:sc=0.000766 USER MOD Single : A 496 SER OG : rot -73:sc= 0.139 USER MOD Single : A 498 GLN : amide:sc= 0.993 K(o=0.99,f=-0.13) USER MOD Single : A 504 CYS SG : rot 69:sc= 0.659 USER MOD Single : A 514 CYS SG : rot 180:sc= 0.0935 USER MOD Single : A 523 LYS NZ :NH3+ -172:sc= 0.399 (180deg=0.342) USER MOD ----------------------------------------------------------------- ATOM 79 N ARG A 441 -0.956 13.956 -8.270 1.00 0.00 N ATOM 80 CA ARG A 441 -1.270 12.539 -8.530 1.00 0.00 C ATOM 81 C ARG A 441 -0.417 11.551 -7.717 1.00 0.00 C ATOM 82 O ARG A 441 -0.551 10.334 -7.867 1.00 0.00 O ATOM 83 CB ARG A 441 -1.159 12.232 -10.031 1.00 0.00 C ATOM 84 CG ARG A 441 -2.200 13.016 -10.843 1.00 0.00 C ATOM 85 CD ARG A 441 -2.361 12.457 -12.259 1.00 0.00 C ATOM 86 NE ARG A 441 -1.112 12.510 -13.032 1.00 0.00 N ATOM 87 CZ ARG A 441 -0.686 13.507 -13.797 1.00 0.00 C ATOM 88 NH1 ARG A 441 -1.363 14.629 -13.943 1.00 0.00 N ATOM 89 NH2 ARG A 441 0.457 13.387 -14.435 1.00 0.00 N ATOM 0 HA ARG A 441 -2.298 12.394 -8.197 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -0.158 12.483 -10.382 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -1.296 11.163 -10.196 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -3.161 12.983 -10.329 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -1.903 14.063 -10.898 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.705 11.424 -12.201 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -3.133 13.021 -12.783 1.00 0.00 H new ATOM 0 HE ARG A 441 -0.507 11.691 -12.974 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -2.251 14.756 -13.458 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -0.999 15.370 -14.541 1.00 0.00 H new ATOM 0 HH21 ARG A 441 1.007 12.533 -14.339 1.00 0.00 H new ATOM 0 HH22 ARG A 441 0.794 14.147 -15.026 1.00 0.00 H new ATOM 103 N LYS A 442 0.472 12.055 -6.860 1.00 0.00 N ATOM 104 CA LYS A 442 1.211 11.256 -5.882 1.00 0.00 C ATOM 105 C LYS A 442 0.275 10.718 -4.778 1.00 0.00 C ATOM 106 O LYS A 442 -0.590 11.445 -4.290 1.00 0.00 O ATOM 107 CB LYS A 442 2.375 12.102 -5.328 1.00 0.00 C ATOM 108 CG LYS A 442 3.292 11.287 -4.398 1.00 0.00 C ATOM 109 CD LYS A 442 4.586 12.026 -4.023 1.00 0.00 C ATOM 110 CE LYS A 442 4.308 13.216 -3.095 1.00 0.00 C ATOM 111 NZ LYS A 442 5.565 13.866 -2.635 1.00 0.00 N ATOM 0 H LYS A 442 0.703 13.048 -6.826 1.00 0.00 H new ATOM 0 HA LYS A 442 1.633 10.373 -6.362 1.00 0.00 H new ATOM 0 HB2 LYS A 442 2.961 12.499 -6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 442 1.974 12.957 -4.783 1.00 0.00 H new ATOM 0 HG2 LYS A 442 2.747 11.038 -3.488 1.00 0.00 H new ATOM 0 HG3 LYS A 442 3.547 10.345 -4.884 1.00 0.00 H new ATOM 0 HD2 LYS A 442 5.272 11.335 -3.533 1.00 0.00 H new ATOM 0 HD3 LYS A 442 5.080 12.378 -4.929 1.00 0.00 H new ATOM 0 HE2 LYS A 442 3.691 13.947 -3.617 1.00 0.00 H new ATOM 0 HE3 LYS A 442 3.737 12.877 -2.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 5.341 14.587 -1.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 6.194 13.150 -2.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 6.039 14.316 -3.444 1.00 0.00 H new ATOM 125 N VAL A 443 0.459 9.464 -4.359 1.00 0.00 N ATOM 126 CA VAL A 443 -0.287 8.832 -3.254 1.00 0.00 C ATOM 127 C VAL A 443 0.660 7.990 -2.398 1.00 0.00 C ATOM 128 O VAL A 443 1.248 7.028 -2.885 1.00 0.00 O ATOM 129 CB VAL A 443 -1.462 7.960 -3.766 1.00 0.00 C ATOM 130 CG1 VAL A 443 -2.254 7.367 -2.589 1.00 0.00 C ATOM 131 CG2 VAL A 443 -2.432 8.731 -4.678 1.00 0.00 C ATOM 0 H VAL A 443 1.145 8.841 -4.784 1.00 0.00 H new ATOM 0 HA VAL A 443 -0.715 9.631 -2.648 1.00 0.00 H new ATOM 0 HB VAL A 443 -1.007 7.164 -4.356 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -3.074 6.759 -2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -1.594 6.747 -1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -2.656 8.175 -1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -3.232 8.066 -5.003 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -2.859 9.570 -4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -1.894 9.104 -5.549 1.00 0.00 H new ATOM 141 N PHE A 444 0.793 8.342 -1.118 1.00 0.00 N ATOM 142 CA PHE A 444 1.506 7.546 -0.119 1.00 0.00 C ATOM 143 C PHE A 444 0.748 6.241 0.184 1.00 0.00 C ATOM 144 O PHE A 444 -0.474 6.261 0.349 1.00 0.00 O ATOM 145 CB PHE A 444 1.648 8.381 1.162 1.00 0.00 C ATOM 146 CG PHE A 444 2.170 7.607 2.361 1.00 0.00 C ATOM 147 CD1 PHE A 444 3.557 7.476 2.565 1.00 0.00 C ATOM 148 CD2 PHE A 444 1.272 6.977 3.251 1.00 0.00 C ATOM 149 CE1 PHE A 444 4.043 6.735 3.656 1.00 0.00 C ATOM 150 CE2 PHE A 444 1.761 6.224 4.332 1.00 0.00 C ATOM 151 CZ PHE A 444 3.147 6.103 4.536 1.00 0.00 C ATOM 0 H PHE A 444 0.401 9.204 -0.740 1.00 0.00 H new ATOM 0 HA PHE A 444 2.490 7.280 -0.505 1.00 0.00 H new ATOM 0 HB2 PHE A 444 2.319 9.217 0.964 1.00 0.00 H new ATOM 0 HB3 PHE A 444 0.676 8.806 1.414 1.00 0.00 H new ATOM 0 HD1 PHE A 444 4.249 7.946 1.882 1.00 0.00 H new ATOM 0 HD2 PHE A 444 0.207 7.074 3.100 1.00 0.00 H new ATOM 0 HE1 PHE A 444 5.107 6.651 3.819 1.00 0.00 H new ATOM 0 HE2 PHE A 444 1.072 5.738 5.007 1.00 0.00 H new ATOM 0 HZ PHE A 444 3.523 5.525 5.368 1.00 0.00 H new ATOM 161 N VAL A 445 1.481 5.133 0.320 1.00 0.00 N ATOM 162 CA VAL A 445 0.973 3.829 0.775 1.00 0.00 C ATOM 163 C VAL A 445 1.908 3.269 1.844 1.00 0.00 C ATOM 164 O VAL A 445 3.075 3.007 1.556 1.00 0.00 O ATOM 165 CB VAL A 445 0.836 2.822 -0.384 1.00 0.00 C ATOM 166 CG1 VAL A 445 0.304 1.458 0.093 1.00 0.00 C ATOM 167 CG2 VAL A 445 -0.100 3.372 -1.463 1.00 0.00 C ATOM 0 H VAL A 445 2.479 5.115 0.110 1.00 0.00 H new ATOM 0 HA VAL A 445 -0.024 3.983 1.189 1.00 0.00 H new ATOM 0 HB VAL A 445 1.835 2.676 -0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 445 0.224 0.781 -0.758 1.00 0.00 H new ATOM 0 HG12 VAL A 445 0.990 1.037 0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.679 1.589 0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -0.185 2.649 -2.274 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -1.085 3.553 -1.033 1.00 0.00 H new ATOM 0 HG23 VAL A 445 0.303 4.307 -1.852 1.00 0.00 H new ATOM 177 N GLY A 446 1.398 3.094 3.067 1.00 0.00 N ATOM 178 CA GLY A 446 2.162 2.649 4.241 1.00 0.00 C ATOM 179 C GLY A 446 1.676 1.322 4.821 1.00 0.00 C ATOM 180 O GLY A 446 0.474 1.063 4.864 1.00 0.00 O ATOM 0 H GLY A 446 0.414 3.262 3.276 1.00 0.00 H new ATOM 0 HA2 GLY A 446 3.212 2.552 3.965 1.00 0.00 H new ATOM 0 HA3 GLY A 446 2.105 3.416 5.013 1.00 0.00 H new ATOM 184 N GLY A 447 2.611 0.500 5.310 1.00 0.00 N ATOM 185 CA GLY A 447 2.337 -0.811 5.920 1.00 0.00 C ATOM 186 C GLY A 447 2.440 -1.984 4.941 1.00 0.00 C ATOM 187 O GLY A 447 1.810 -3.016 5.170 1.00 0.00 O ATOM 0 H GLY A 447 3.604 0.731 5.293 1.00 0.00 H new ATOM 0 HA2 GLY A 447 3.036 -0.973 6.740 1.00 0.00 H new ATOM 0 HA3 GLY A 447 1.336 -0.798 6.352 1.00 0.00 H new ATOM 191 N LEU A 448 3.194 -1.831 3.847 1.00 0.00 N ATOM 192 CA LEU A 448 3.402 -2.857 2.815 1.00 0.00 C ATOM 193 C LEU A 448 4.022 -4.144 3.420 1.00 0.00 C ATOM 194 O LEU A 448 4.884 -4.026 4.299 1.00 0.00 O ATOM 195 CB LEU A 448 4.313 -2.267 1.717 1.00 0.00 C ATOM 196 CG LEU A 448 3.654 -1.160 0.863 1.00 0.00 C ATOM 197 CD1 LEU A 448 4.714 -0.476 -0.007 1.00 0.00 C ATOM 198 CD2 LEU A 448 2.557 -1.721 -0.055 1.00 0.00 C ATOM 0 H LEU A 448 3.692 -0.964 3.648 1.00 0.00 H new ATOM 0 HA LEU A 448 2.442 -3.141 2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 448 5.209 -1.861 2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 448 4.635 -3.073 1.058 1.00 0.00 H new ATOM 0 HG LEU A 448 3.200 -0.447 1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 448 4.245 0.303 -0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 448 5.478 -0.032 0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 448 5.175 -1.212 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 448 2.120 -0.910 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 448 2.990 -2.460 -0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 448 1.782 -2.192 0.550 1.00 0.00 H new ATOM 210 N PRO A 449 3.614 -5.356 2.972 1.00 0.00 N ATOM 211 CA PRO A 449 4.188 -6.625 3.433 1.00 0.00 C ATOM 212 C PRO A 449 5.718 -6.706 3.264 1.00 0.00 C ATOM 213 O PRO A 449 6.268 -6.042 2.382 1.00 0.00 O ATOM 214 CB PRO A 449 3.499 -7.717 2.609 1.00 0.00 C ATOM 215 CG PRO A 449 2.159 -7.099 2.231 1.00 0.00 C ATOM 216 CD PRO A 449 2.505 -5.621 2.059 1.00 0.00 C ATOM 0 HA PRO A 449 4.019 -6.736 4.504 1.00 0.00 H new ATOM 0 HB2 PRO A 449 4.082 -7.979 1.726 1.00 0.00 H new ATOM 0 HB3 PRO A 449 3.368 -8.632 3.187 1.00 0.00 H new ATOM 0 HG2 PRO A 449 1.759 -7.530 1.313 1.00 0.00 H new ATOM 0 HG3 PRO A 449 1.410 -7.251 3.008 1.00 0.00 H new ATOM 0 HD2 PRO A 449 2.788 -5.404 1.029 1.00 0.00 H new ATOM 0 HD3 PRO A 449 1.648 -4.990 2.294 1.00 0.00 H new ATOM 224 N PRO A 450 6.420 -7.535 4.064 1.00 0.00 N ATOM 225 CA PRO A 450 7.883 -7.596 4.091 1.00 0.00 C ATOM 226 C PRO A 450 8.515 -8.341 2.897 1.00 0.00 C ATOM 227 O PRO A 450 9.736 -8.491 2.860 1.00 0.00 O ATOM 228 CB PRO A 450 8.218 -8.262 5.431 1.00 0.00 C ATOM 229 CG PRO A 450 7.037 -9.204 5.654 1.00 0.00 C ATOM 230 CD PRO A 450 5.863 -8.401 5.097 1.00 0.00 C ATOM 0 HA PRO A 450 8.307 -6.596 3.998 1.00 0.00 H new ATOM 0 HB2 PRO A 450 9.163 -8.804 5.387 1.00 0.00 H new ATOM 0 HB3 PRO A 450 8.307 -7.530 6.234 1.00 0.00 H new ATOM 0 HG2 PRO A 450 7.167 -10.150 5.128 1.00 0.00 H new ATOM 0 HG3 PRO A 450 6.902 -9.442 6.709 1.00 0.00 H new ATOM 0 HD2 PRO A 450 5.101 -9.061 4.683 1.00 0.00 H new ATOM 0 HD3 PRO A 450 5.385 -7.814 5.881 1.00 0.00 H new ATOM 238 N ASP A 451 7.720 -8.803 1.920 1.00 0.00 N ATOM 239 CA ASP A 451 8.181 -9.580 0.755 1.00 0.00 C ATOM 240 C ASP A 451 7.458 -9.186 -0.552 1.00 0.00 C ATOM 241 O ASP A 451 7.309 -9.997 -1.467 1.00 0.00 O ATOM 242 CB ASP A 451 8.076 -11.083 1.080 1.00 0.00 C ATOM 243 CG ASP A 451 8.903 -11.970 0.132 1.00 0.00 C ATOM 244 OD1 ASP A 451 10.105 -11.675 -0.084 1.00 0.00 O ATOM 245 OD2 ASP A 451 8.372 -12.998 -0.349 1.00 0.00 O ATOM 0 H ASP A 451 6.713 -8.643 1.916 1.00 0.00 H new ATOM 0 HA ASP A 451 9.227 -9.342 0.564 1.00 0.00 H new ATOM 0 HB2 ASP A 451 8.408 -11.250 2.105 1.00 0.00 H new ATOM 0 HB3 ASP A 451 7.030 -11.386 1.030 1.00 0.00 H new ATOM 250 N ILE A 452 6.984 -7.936 -0.639 1.00 0.00 N ATOM 251 CA ILE A 452 6.360 -7.362 -1.846 1.00 0.00 C ATOM 252 C ILE A 452 7.354 -6.462 -2.600 1.00 0.00 C ATOM 253 O ILE A 452 8.168 -5.777 -1.982 1.00 0.00 O ATOM 254 CB ILE A 452 5.049 -6.633 -1.464 1.00 0.00 C ATOM 255 CG1 ILE A 452 4.139 -6.510 -2.701 1.00 0.00 C ATOM 256 CG2 ILE A 452 5.302 -5.251 -0.832 1.00 0.00 C ATOM 257 CD1 ILE A 452 2.744 -5.959 -2.400 1.00 0.00 C ATOM 0 H ILE A 452 7.023 -7.280 0.141 1.00 0.00 H new ATOM 0 HA ILE A 452 6.093 -8.162 -2.536 1.00 0.00 H new ATOM 0 HB ILE A 452 4.549 -7.234 -0.704 1.00 0.00 H new ATOM 0 HG12 ILE A 452 4.623 -5.862 -3.432 1.00 0.00 H new ATOM 0 HG13 ILE A 452 4.038 -7.492 -3.163 1.00 0.00 H new ATOM 0 HG21 ILE A 452 4.349 -4.784 -0.584 1.00 0.00 H new ATOM 0 HG22 ILE A 452 5.895 -5.369 0.075 1.00 0.00 H new ATOM 0 HG23 ILE A 452 5.841 -4.621 -1.539 1.00 0.00 H new ATOM 0 HD11 ILE A 452 2.167 -5.904 -3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 452 2.237 -6.617 -1.694 1.00 0.00 H new ATOM 0 HD13 ILE A 452 2.832 -4.962 -1.967 1.00 0.00 H new ATOM 269 N ASP A 453 7.290 -6.450 -3.934 1.00 0.00 N ATOM 270 CA ASP A 453 8.203 -5.698 -4.807 1.00 0.00 C ATOM 271 C ASP A 453 7.473 -4.707 -5.730 1.00 0.00 C ATOM 272 O ASP A 453 6.247 -4.720 -5.830 1.00 0.00 O ATOM 273 CB ASP A 453 9.075 -6.677 -5.608 1.00 0.00 C ATOM 274 CG ASP A 453 8.332 -7.325 -6.785 1.00 0.00 C ATOM 275 OD1 ASP A 453 8.313 -6.715 -7.880 1.00 0.00 O ATOM 276 OD2 ASP A 453 7.780 -8.435 -6.607 1.00 0.00 O ATOM 0 H ASP A 453 6.586 -6.975 -4.452 1.00 0.00 H new ATOM 0 HA ASP A 453 8.842 -5.087 -4.169 1.00 0.00 H new ATOM 0 HB2 ASP A 453 9.950 -6.148 -5.986 1.00 0.00 H new ATOM 0 HB3 ASP A 453 9.438 -7.459 -4.941 1.00 0.00 H new ATOM 281 N GLU A 454 8.245 -3.860 -6.413 1.00 0.00 N ATOM 282 CA GLU A 454 7.778 -2.777 -7.289 1.00 0.00 C ATOM 283 C GLU A 454 6.659 -3.191 -8.264 1.00 0.00 C ATOM 284 O GLU A 454 5.676 -2.463 -8.412 1.00 0.00 O ATOM 285 CB GLU A 454 8.988 -2.237 -8.072 1.00 0.00 C ATOM 286 CG GLU A 454 8.667 -0.983 -8.891 1.00 0.00 C ATOM 287 CD GLU A 454 9.922 -0.474 -9.609 1.00 0.00 C ATOM 288 OE1 GLU A 454 10.711 0.260 -8.970 1.00 0.00 O ATOM 289 OE2 GLU A 454 10.122 -0.798 -10.804 1.00 0.00 O ATOM 0 H GLU A 454 9.263 -3.911 -6.370 1.00 0.00 H new ATOM 0 HA GLU A 454 7.336 -2.011 -6.651 1.00 0.00 H new ATOM 0 HB2 GLU A 454 9.793 -2.010 -7.373 1.00 0.00 H new ATOM 0 HB3 GLU A 454 9.356 -3.015 -8.741 1.00 0.00 H new ATOM 0 HG2 GLU A 454 7.889 -1.208 -9.621 1.00 0.00 H new ATOM 0 HG3 GLU A 454 8.275 -0.205 -8.236 1.00 0.00 H new ATOM 296 N ASP A 455 6.767 -4.356 -8.909 1.00 0.00 N ATOM 297 CA ASP A 455 5.799 -4.813 -9.914 1.00 0.00 C ATOM 298 C ASP A 455 4.501 -5.341 -9.280 1.00 0.00 C ATOM 299 O ASP A 455 3.428 -5.218 -9.870 1.00 0.00 O ATOM 300 CB ASP A 455 6.455 -5.881 -10.800 1.00 0.00 C ATOM 301 CG ASP A 455 5.590 -6.241 -12.018 1.00 0.00 C ATOM 302 OD1 ASP A 455 5.419 -5.376 -12.910 1.00 0.00 O ATOM 303 OD2 ASP A 455 5.118 -7.401 -12.103 1.00 0.00 O ATOM 0 H ASP A 455 7.531 -5.013 -8.749 1.00 0.00 H new ATOM 0 HA ASP A 455 5.513 -3.957 -10.525 1.00 0.00 H new ATOM 0 HB2 ASP A 455 7.426 -5.521 -11.140 1.00 0.00 H new ATOM 0 HB3 ASP A 455 6.637 -6.778 -10.209 1.00 0.00 H new ATOM 308 N GLU A 456 4.584 -5.857 -8.049 1.00 0.00 N ATOM 309 CA GLU A 456 3.423 -6.261 -7.251 1.00 0.00 C ATOM 310 C GLU A 456 2.735 -5.053 -6.610 1.00 0.00 C ATOM 311 O GLU A 456 1.508 -5.017 -6.549 1.00 0.00 O ATOM 312 CB GLU A 456 3.833 -7.241 -6.149 1.00 0.00 C ATOM 313 CG GLU A 456 4.287 -8.606 -6.660 1.00 0.00 C ATOM 314 CD GLU A 456 3.127 -9.440 -7.229 1.00 0.00 C ATOM 315 OE1 GLU A 456 2.370 -10.046 -6.434 1.00 0.00 O ATOM 316 OE2 GLU A 456 2.979 -9.521 -8.471 1.00 0.00 O ATOM 0 H GLU A 456 5.473 -6.008 -7.573 1.00 0.00 H new ATOM 0 HA GLU A 456 2.724 -6.747 -7.931 1.00 0.00 H new ATOM 0 HB2 GLU A 456 4.640 -6.797 -5.566 1.00 0.00 H new ATOM 0 HB3 GLU A 456 2.991 -7.381 -5.472 1.00 0.00 H new ATOM 0 HG2 GLU A 456 5.043 -8.467 -7.433 1.00 0.00 H new ATOM 0 HG3 GLU A 456 4.760 -9.156 -5.846 1.00 0.00 H new ATOM 323 N ILE A 457 3.486 -4.032 -6.180 1.00 0.00 N ATOM 324 CA ILE A 457 2.918 -2.756 -5.709 1.00 0.00 C ATOM 325 C ILE A 457 2.220 -2.042 -6.876 1.00 0.00 C ATOM 326 O ILE A 457 1.138 -1.487 -6.688 1.00 0.00 O ATOM 327 CB ILE A 457 4.000 -1.870 -5.045 1.00 0.00 C ATOM 328 CG1 ILE A 457 4.639 -2.570 -3.821 1.00 0.00 C ATOM 329 CG2 ILE A 457 3.398 -0.525 -4.588 1.00 0.00 C ATOM 330 CD1 ILE A 457 6.003 -1.986 -3.440 1.00 0.00 C ATOM 0 H ILE A 457 4.505 -4.064 -6.147 1.00 0.00 H new ATOM 0 HA ILE A 457 2.173 -2.959 -4.940 1.00 0.00 H new ATOM 0 HB ILE A 457 4.771 -1.696 -5.795 1.00 0.00 H new ATOM 0 HG12 ILE A 457 3.964 -2.487 -2.969 1.00 0.00 H new ATOM 0 HG13 ILE A 457 4.752 -3.633 -4.036 1.00 0.00 H new ATOM 0 HG21 ILE A 457 4.175 0.083 -4.124 1.00 0.00 H new ATOM 0 HG22 ILE A 457 2.991 0.003 -5.450 1.00 0.00 H new ATOM 0 HG23 ILE A 457 2.602 -0.709 -3.866 1.00 0.00 H new ATOM 0 HD11 ILE A 457 6.398 -2.519 -2.575 1.00 0.00 H new ATOM 0 HD12 ILE A 457 6.692 -2.093 -4.278 1.00 0.00 H new ATOM 0 HD13 ILE A 457 5.891 -0.930 -3.195 1.00 0.00 H new ATOM 342 N THR A 458 2.773 -2.133 -8.094 1.00 0.00 N ATOM 343 CA THR A 458 2.124 -1.640 -9.318 1.00 0.00 C ATOM 344 C THR A 458 0.855 -2.426 -9.603 1.00 0.00 C ATOM 345 O THR A 458 -0.200 -1.814 -9.727 1.00 0.00 O ATOM 346 CB THR A 458 3.087 -1.663 -10.515 1.00 0.00 C ATOM 347 OG1 THR A 458 4.256 -0.939 -10.205 1.00 0.00 O ATOM 348 CG2 THR A 458 2.476 -1.005 -11.753 1.00 0.00 C ATOM 0 H THR A 458 3.688 -2.553 -8.259 1.00 0.00 H new ATOM 0 HA THR A 458 1.844 -0.599 -9.157 1.00 0.00 H new ATOM 0 HB THR A 458 3.302 -2.711 -10.722 1.00 0.00 H new ATOM 0 HG1 THR A 458 4.731 -1.383 -9.472 1.00 0.00 H new ATOM 0 HG21 THR A 458 3.190 -1.043 -12.575 1.00 0.00 H new ATOM 0 HG22 THR A 458 1.568 -1.536 -12.037 1.00 0.00 H new ATOM 0 HG23 THR A 458 2.234 0.034 -11.531 1.00 0.00 H new ATOM 356 N ALA A 459 0.905 -3.760 -9.645 1.00 0.00 N ATOM 357 CA ALA A 459 -0.281 -4.591 -9.881 1.00 0.00 C ATOM 358 C ALA A 459 -1.365 -4.417 -8.797 1.00 0.00 C ATOM 359 O ALA A 459 -2.558 -4.478 -9.099 1.00 0.00 O ATOM 360 CB ALA A 459 0.165 -6.052 -10.002 1.00 0.00 C ATOM 0 H ALA A 459 1.765 -4.294 -9.517 1.00 0.00 H new ATOM 0 HA ALA A 459 -0.751 -4.266 -10.810 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -0.705 -6.685 -10.178 1.00 0.00 H new ATOM 0 HB2 ALA A 459 0.861 -6.152 -10.835 1.00 0.00 H new ATOM 0 HB3 ALA A 459 0.657 -6.360 -9.079 1.00 0.00 H new ATOM 366 N SER A 460 -0.969 -4.130 -7.556 1.00 0.00 N ATOM 367 CA SER A 460 -1.876 -3.851 -6.432 1.00 0.00 C ATOM 368 C SER A 460 -2.660 -2.537 -6.570 1.00 0.00 C ATOM 369 O SER A 460 -3.654 -2.363 -5.863 1.00 0.00 O ATOM 370 CB SER A 460 -1.110 -3.832 -5.101 1.00 0.00 C ATOM 371 OG SER A 460 -0.553 -5.100 -4.792 1.00 0.00 O ATOM 0 H SER A 460 0.016 -4.083 -7.294 1.00 0.00 H new ATOM 0 HA SER A 460 -2.602 -4.664 -6.447 1.00 0.00 H new ATOM 0 HB2 SER A 460 -0.314 -3.089 -5.151 1.00 0.00 H new ATOM 0 HB3 SER A 460 -1.783 -3.526 -4.300 1.00 0.00 H new ATOM 0 HG SER A 460 0.165 -5.305 -5.426 1.00 0.00 H new ATOM 377 N PHE A 461 -2.274 -1.631 -7.481 1.00 0.00 N ATOM 378 CA PHE A 461 -2.994 -0.375 -7.732 1.00 0.00 C ATOM 379 C PHE A 461 -3.300 -0.125 -9.221 1.00 0.00 C ATOM 380 O PHE A 461 -4.041 0.802 -9.546 1.00 0.00 O ATOM 381 CB PHE A 461 -2.231 0.773 -7.055 1.00 0.00 C ATOM 382 CG PHE A 461 -2.297 0.737 -5.535 1.00 0.00 C ATOM 383 CD1 PHE A 461 -1.357 -0.005 -4.796 1.00 0.00 C ATOM 384 CD2 PHE A 461 -3.292 1.460 -4.851 1.00 0.00 C ATOM 385 CE1 PHE A 461 -1.409 -0.039 -3.393 1.00 0.00 C ATOM 386 CE2 PHE A 461 -3.332 1.448 -3.444 1.00 0.00 C ATOM 387 CZ PHE A 461 -2.400 0.690 -2.715 1.00 0.00 C ATOM 0 H PHE A 461 -1.448 -1.751 -8.068 1.00 0.00 H new ATOM 0 HA PHE A 461 -3.986 -0.444 -7.285 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -1.187 0.737 -7.366 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -2.635 1.723 -7.405 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -0.586 -0.555 -5.314 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -4.026 2.025 -5.406 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -0.690 -0.623 -2.838 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.082 2.024 -2.923 1.00 0.00 H new ATOM 0 HZ PHE A 461 -2.446 0.668 -1.636 1.00 0.00 H new ATOM 397 N ARG A 462 -2.847 -1.005 -10.127 1.00 0.00 N ATOM 398 CA ARG A 462 -3.167 -0.974 -11.563 1.00 0.00 C ATOM 399 C ARG A 462 -4.672 -1.109 -11.850 1.00 0.00 C ATOM 400 O ARG A 462 -5.142 -0.613 -12.878 1.00 0.00 O ATOM 401 CB ARG A 462 -2.337 -2.052 -12.292 1.00 0.00 C ATOM 402 CG ARG A 462 -2.500 -2.078 -13.822 1.00 0.00 C ATOM 403 CD ARG A 462 -2.099 -0.746 -14.471 1.00 0.00 C ATOM 404 NE ARG A 462 -2.409 -0.714 -15.911 1.00 0.00 N ATOM 405 CZ ARG A 462 -3.592 -0.462 -16.464 1.00 0.00 C ATOM 406 NH1 ARG A 462 -4.687 -0.279 -15.752 1.00 0.00 N ATOM 407 NH2 ARG A 462 -3.690 -0.389 -17.774 1.00 0.00 N ATOM 0 H ARG A 462 -2.232 -1.778 -9.875 1.00 0.00 H new ATOM 0 HA ARG A 462 -2.895 0.009 -11.949 1.00 0.00 H new ATOM 0 HB2 ARG A 462 -1.284 -1.898 -12.057 1.00 0.00 H new ATOM 0 HB3 ARG A 462 -2.612 -3.030 -11.896 1.00 0.00 H new ATOM 0 HG2 ARG A 462 -1.890 -2.880 -14.237 1.00 0.00 H new ATOM 0 HG3 ARG A 462 -3.537 -2.304 -14.071 1.00 0.00 H new ATOM 0 HD2 ARG A 462 -2.619 0.071 -13.971 1.00 0.00 H new ATOM 0 HD3 ARG A 462 -1.031 -0.580 -14.327 1.00 0.00 H new ATOM 0 HE ARG A 462 -1.637 -0.905 -16.550 1.00 0.00 H new ATOM 0 HH11 ARG A 462 -4.648 -0.328 -14.734 1.00 0.00 H new ATOM 0 HH12 ARG A 462 -5.573 -0.088 -16.219 1.00 0.00 H new ATOM 0 HH21 ARG A 462 -2.863 -0.525 -18.356 1.00 0.00 H new ATOM 0 HH22 ARG A 462 -4.593 -0.196 -18.208 1.00 0.00 H new ATOM 421 N ARG A 463 -5.436 -1.684 -10.910 1.00 0.00 N ATOM 422 CA ARG A 463 -6.910 -1.736 -10.883 1.00 0.00 C ATOM 423 C ARG A 463 -7.614 -0.359 -10.934 1.00 0.00 C ATOM 424 O ARG A 463 -8.812 -0.306 -11.218 1.00 0.00 O ATOM 425 CB ARG A 463 -7.382 -2.567 -9.666 1.00 0.00 C ATOM 426 CG ARG A 463 -6.768 -2.135 -8.319 1.00 0.00 C ATOM 427 CD ARG A 463 -7.340 -2.926 -7.130 1.00 0.00 C ATOM 428 NE ARG A 463 -6.427 -2.861 -5.975 1.00 0.00 N ATOM 429 CZ ARG A 463 -6.574 -3.404 -4.774 1.00 0.00 C ATOM 430 NH1 ARG A 463 -7.685 -3.992 -4.383 1.00 0.00 N ATOM 431 NH2 ARG A 463 -5.555 -3.356 -3.946 1.00 0.00 N ATOM 0 H ARG A 463 -5.022 -2.151 -10.103 1.00 0.00 H new ATOM 0 HA ARG A 463 -7.211 -2.225 -11.809 1.00 0.00 H new ATOM 0 HB2 ARG A 463 -8.467 -2.499 -9.595 1.00 0.00 H new ATOM 0 HB3 ARG A 463 -7.140 -3.615 -9.842 1.00 0.00 H new ATOM 0 HG2 ARG A 463 -5.687 -2.271 -8.356 1.00 0.00 H new ATOM 0 HG3 ARG A 463 -6.950 -1.071 -8.165 1.00 0.00 H new ATOM 0 HD2 ARG A 463 -8.314 -2.523 -6.853 1.00 0.00 H new ATOM 0 HD3 ARG A 463 -7.496 -3.965 -7.419 1.00 0.00 H new ATOM 0 HE ARG A 463 -5.569 -2.328 -6.118 1.00 0.00 H new ATOM 0 HH11 ARG A 463 -8.484 -4.045 -5.015 1.00 0.00 H new ATOM 0 HH12 ARG A 463 -7.747 -4.395 -3.448 1.00 0.00 H new ATOM 0 HH21 ARG A 463 -4.684 -2.910 -4.235 1.00 0.00 H new ATOM 0 HH22 ARG A 463 -5.635 -3.764 -3.015 1.00 0.00 H new ATOM 445 N PHE A 464 -6.887 0.743 -10.712 1.00 0.00 N ATOM 446 CA PHE A 464 -7.392 2.123 -10.784 1.00 0.00 C ATOM 447 C PHE A 464 -6.974 2.877 -12.062 1.00 0.00 C ATOM 448 O PHE A 464 -7.452 3.986 -12.299 1.00 0.00 O ATOM 449 CB PHE A 464 -6.921 2.860 -9.520 1.00 0.00 C ATOM 450 CG PHE A 464 -7.364 2.182 -8.236 1.00 0.00 C ATOM 451 CD1 PHE A 464 -8.735 1.995 -7.987 1.00 0.00 C ATOM 452 CD2 PHE A 464 -6.416 1.661 -7.335 1.00 0.00 C ATOM 453 CE1 PHE A 464 -9.157 1.281 -6.857 1.00 0.00 C ATOM 454 CE2 PHE A 464 -6.839 0.937 -6.206 1.00 0.00 C ATOM 455 CZ PHE A 464 -8.210 0.748 -5.964 1.00 0.00 C ATOM 0 H PHE A 464 -5.897 0.699 -10.469 1.00 0.00 H new ATOM 0 HA PHE A 464 -8.480 2.087 -10.834 1.00 0.00 H new ATOM 0 HB2 PHE A 464 -5.833 2.929 -9.531 1.00 0.00 H new ATOM 0 HB3 PHE A 464 -7.305 3.880 -9.537 1.00 0.00 H new ATOM 0 HD1 PHE A 464 -9.466 2.403 -8.669 1.00 0.00 H new ATOM 0 HD2 PHE A 464 -5.362 1.818 -7.511 1.00 0.00 H new ATOM 0 HE1 PHE A 464 -10.212 1.140 -6.672 1.00 0.00 H new ATOM 0 HE2 PHE A 464 -6.109 0.526 -5.524 1.00 0.00 H new ATOM 0 HZ PHE A 464 -8.536 0.195 -5.095 1.00 0.00 H new ATOM 465 N GLY A 465 -6.105 2.282 -12.888 1.00 0.00 N ATOM 466 CA GLY A 465 -5.459 2.899 -14.055 1.00 0.00 C ATOM 467 C GLY A 465 -3.927 2.796 -13.990 1.00 0.00 C ATOM 468 O GLY A 465 -3.396 2.340 -12.973 1.00 0.00 O ATOM 0 H GLY A 465 -5.819 1.312 -12.756 1.00 0.00 H new ATOM 0 HA2 GLY A 465 -5.816 2.415 -14.964 1.00 0.00 H new ATOM 0 HA3 GLY A 465 -5.749 3.948 -14.117 1.00 0.00 H new ATOM 472 N PRO A 466 -3.207 3.174 -15.063 1.00 0.00 N ATOM 473 CA PRO A 466 -1.752 3.063 -15.138 1.00 0.00 C ATOM 474 C PRO A 466 -1.047 4.044 -14.189 1.00 0.00 C ATOM 475 O PRO A 466 -1.564 5.118 -13.870 1.00 0.00 O ATOM 476 CB PRO A 466 -1.393 3.291 -16.610 1.00 0.00 C ATOM 477 CG PRO A 466 -2.551 4.131 -17.146 1.00 0.00 C ATOM 478 CD PRO A 466 -3.750 3.660 -16.325 1.00 0.00 C ATOM 0 HA PRO A 466 -1.409 2.083 -14.807 1.00 0.00 H new ATOM 0 HB2 PRO A 466 -0.441 3.812 -16.713 1.00 0.00 H new ATOM 0 HB3 PRO A 466 -1.301 2.348 -17.149 1.00 0.00 H new ATOM 0 HG2 PRO A 466 -2.368 5.197 -17.012 1.00 0.00 H new ATOM 0 HG3 PRO A 466 -2.706 3.966 -18.212 1.00 0.00 H new ATOM 0 HD2 PRO A 466 -4.454 4.476 -16.159 1.00 0.00 H new ATOM 0 HD3 PRO A 466 -4.294 2.871 -16.845 1.00 0.00 H new ATOM 486 N LEU A 467 0.149 3.648 -13.737 1.00 0.00 N ATOM 487 CA LEU A 467 0.922 4.306 -12.681 1.00 0.00 C ATOM 488 C LEU A 467 2.411 3.905 -12.707 1.00 0.00 C ATOM 489 O LEU A 467 2.799 2.972 -13.413 1.00 0.00 O ATOM 490 CB LEU A 467 0.287 4.006 -11.295 1.00 0.00 C ATOM 491 CG LEU A 467 0.491 2.578 -10.727 1.00 0.00 C ATOM 492 CD1 LEU A 467 0.276 2.596 -9.210 1.00 0.00 C ATOM 493 CD2 LEU A 467 -0.463 1.542 -11.334 1.00 0.00 C ATOM 0 H LEU A 467 0.622 2.827 -14.113 1.00 0.00 H new ATOM 0 HA LEU A 467 0.887 5.380 -12.865 1.00 0.00 H new ATOM 0 HB2 LEU A 467 0.690 4.719 -10.575 1.00 0.00 H new ATOM 0 HB3 LEU A 467 -0.784 4.194 -11.364 1.00 0.00 H new ATOM 0 HG LEU A 467 1.508 2.285 -10.986 1.00 0.00 H new ATOM 0 HD11 LEU A 467 0.419 1.592 -8.810 1.00 0.00 H new ATOM 0 HD12 LEU A 467 0.993 3.276 -8.749 1.00 0.00 H new ATOM 0 HD13 LEU A 467 -0.737 2.933 -8.990 1.00 0.00 H new ATOM 0 HD21 LEU A 467 -0.267 0.565 -10.893 1.00 0.00 H new ATOM 0 HD22 LEU A 467 -1.493 1.832 -11.129 1.00 0.00 H new ATOM 0 HD23 LEU A 467 -0.308 1.492 -12.412 1.00 0.00 H new ATOM 505 N VAL A 468 3.221 4.574 -11.884 1.00 0.00 N ATOM 506 CA VAL A 468 4.609 4.201 -11.550 1.00 0.00 C ATOM 507 C VAL A 468 4.807 4.279 -10.025 1.00 0.00 C ATOM 508 O VAL A 468 4.035 4.953 -9.345 1.00 0.00 O ATOM 509 CB VAL A 468 5.648 5.026 -12.357 1.00 0.00 C ATOM 510 CG1 VAL A 468 5.924 6.428 -11.821 1.00 0.00 C ATOM 511 CG2 VAL A 468 6.972 4.262 -12.487 1.00 0.00 C ATOM 0 H VAL A 468 2.922 5.426 -11.410 1.00 0.00 H new ATOM 0 HA VAL A 468 4.786 3.169 -11.852 1.00 0.00 H new ATOM 0 HB VAL A 468 5.183 5.163 -13.333 1.00 0.00 H new ATOM 0 HG11 VAL A 468 6.662 6.921 -12.454 1.00 0.00 H new ATOM 0 HG12 VAL A 468 5.000 7.007 -11.823 1.00 0.00 H new ATOM 0 HG13 VAL A 468 6.307 6.359 -10.803 1.00 0.00 H new ATOM 0 HG21 VAL A 468 7.683 4.861 -13.056 1.00 0.00 H new ATOM 0 HG22 VAL A 468 7.377 4.064 -11.495 1.00 0.00 H new ATOM 0 HG23 VAL A 468 6.798 3.318 -13.003 1.00 0.00 H new ATOM 521 N VAL A 469 5.805 3.574 -9.482 1.00 0.00 N ATOM 522 CA VAL A 469 6.011 3.392 -8.030 1.00 0.00 C ATOM 523 C VAL A 469 7.437 3.795 -7.636 1.00 0.00 C ATOM 524 O VAL A 469 8.406 3.412 -8.290 1.00 0.00 O ATOM 525 CB VAL A 469 5.714 1.929 -7.616 1.00 0.00 C ATOM 526 CG1 VAL A 469 5.938 1.691 -6.112 1.00 0.00 C ATOM 527 CG2 VAL A 469 4.267 1.539 -7.962 1.00 0.00 C ATOM 0 H VAL A 469 6.511 3.101 -10.047 1.00 0.00 H new ATOM 0 HA VAL A 469 5.315 4.041 -7.498 1.00 0.00 H new ATOM 0 HB VAL A 469 6.413 1.308 -8.177 1.00 0.00 H new ATOM 0 HG11 VAL A 469 5.717 0.651 -5.871 1.00 0.00 H new ATOM 0 HG12 VAL A 469 6.976 1.909 -5.860 1.00 0.00 H new ATOM 0 HG13 VAL A 469 5.280 2.344 -5.538 1.00 0.00 H new ATOM 0 HG21 VAL A 469 4.086 0.507 -7.660 1.00 0.00 H new ATOM 0 HG22 VAL A 469 3.577 2.197 -7.435 1.00 0.00 H new ATOM 0 HG23 VAL A 469 4.111 1.636 -9.036 1.00 0.00 H new ATOM 537 N ASP A 470 7.562 4.549 -6.542 1.00 0.00 N ATOM 538 CA ASP A 470 8.796 5.176 -6.049 1.00 0.00 C ATOM 539 C ASP A 470 8.888 5.121 -4.509 1.00 0.00 C ATOM 540 O ASP A 470 7.886 4.919 -3.825 1.00 0.00 O ATOM 541 CB ASP A 470 8.825 6.627 -6.565 1.00 0.00 C ATOM 542 CG ASP A 470 10.132 7.359 -6.224 1.00 0.00 C ATOM 543 OD1 ASP A 470 11.212 6.844 -6.594 1.00 0.00 O ATOM 544 OD2 ASP A 470 10.070 8.438 -5.590 1.00 0.00 O ATOM 0 H ASP A 470 6.763 4.751 -5.941 1.00 0.00 H new ATOM 0 HA ASP A 470 9.663 4.630 -6.421 1.00 0.00 H new ATOM 0 HB2 ASP A 470 8.687 6.625 -7.646 1.00 0.00 H new ATOM 0 HB3 ASP A 470 7.986 7.176 -6.138 1.00 0.00 H new ATOM 786 N GLY A 485 8.991 -0.141 4.413 1.00 0.00 N ATOM 787 CA GLY A 485 7.596 -0.568 4.635 1.00 0.00 C ATOM 788 C GLY A 485 6.542 0.350 4.002 1.00 0.00 C ATOM 789 O GLY A 485 5.357 0.210 4.300 1.00 0.00 O ATOM 0 HA2 GLY A 485 7.470 -1.575 4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 485 7.413 -0.625 5.708 1.00 0.00 H new ATOM 793 N TYR A 486 6.948 1.275 3.127 1.00 0.00 N ATOM 794 CA TYR A 486 6.063 2.235 2.455 1.00 0.00 C ATOM 795 C TYR A 486 6.560 2.626 1.052 1.00 0.00 C ATOM 796 O TYR A 486 7.738 2.459 0.726 1.00 0.00 O ATOM 797 CB TYR A 486 5.838 3.472 3.346 1.00 0.00 C ATOM 798 CG TYR A 486 7.031 4.388 3.570 1.00 0.00 C ATOM 799 CD1 TYR A 486 7.411 5.323 2.582 1.00 0.00 C ATOM 800 CD2 TYR A 486 7.713 4.365 4.802 1.00 0.00 C ATOM 801 CE1 TYR A 486 8.473 6.217 2.819 1.00 0.00 C ATOM 802 CE2 TYR A 486 8.760 5.273 5.055 1.00 0.00 C ATOM 803 CZ TYR A 486 9.143 6.203 4.062 1.00 0.00 C ATOM 804 OH TYR A 486 10.145 7.096 4.302 1.00 0.00 O ATOM 0 H TYR A 486 7.926 1.381 2.859 1.00 0.00 H new ATOM 0 HA TYR A 486 5.104 1.739 2.302 1.00 0.00 H new ATOM 0 HB2 TYR A 486 5.034 4.064 2.907 1.00 0.00 H new ATOM 0 HB3 TYR A 486 5.487 3.129 4.319 1.00 0.00 H new ATOM 0 HD1 TYR A 486 6.884 5.353 1.640 1.00 0.00 H new ATOM 0 HD2 TYR A 486 7.432 3.647 5.558 1.00 0.00 H new ATOM 0 HE1 TYR A 486 8.775 6.913 2.050 1.00 0.00 H new ATOM 0 HE2 TYR A 486 9.270 5.258 6.007 1.00 0.00 H new ATOM 0 HH TYR A 486 10.501 6.954 5.204 1.00 0.00 H new ATOM 814 N ALA A 487 5.657 3.173 0.234 1.00 0.00 N ATOM 815 CA ALA A 487 5.924 3.635 -1.126 1.00 0.00 C ATOM 816 C ALA A 487 5.030 4.827 -1.503 1.00 0.00 C ATOM 817 O ALA A 487 4.011 5.095 -0.861 1.00 0.00 O ATOM 818 CB ALA A 487 5.730 2.455 -2.093 1.00 0.00 C ATOM 0 H ALA A 487 4.686 3.310 0.513 1.00 0.00 H new ATOM 0 HA ALA A 487 6.952 3.991 -1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 487 5.926 2.785 -3.113 1.00 0.00 H new ATOM 0 HB2 ALA A 487 6.421 1.653 -1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 487 4.706 2.090 -2.020 1.00 0.00 H new ATOM 824 N PHE A 488 5.414 5.508 -2.580 1.00 0.00 N ATOM 825 CA PHE A 488 4.663 6.567 -3.241 1.00 0.00 C ATOM 826 C PHE A 488 4.282 6.108 -4.650 1.00 0.00 C ATOM 827 O PHE A 488 5.139 5.897 -5.510 1.00 0.00 O ATOM 828 CB PHE A 488 5.504 7.850 -3.282 1.00 0.00 C ATOM 829 CG PHE A 488 5.691 8.514 -1.933 1.00 0.00 C ATOM 830 CD1 PHE A 488 4.683 9.354 -1.420 1.00 0.00 C ATOM 831 CD2 PHE A 488 6.872 8.307 -1.195 1.00 0.00 C ATOM 832 CE1 PHE A 488 4.867 10.003 -0.187 1.00 0.00 C ATOM 833 CE2 PHE A 488 7.048 8.948 0.045 1.00 0.00 C ATOM 834 CZ PHE A 488 6.048 9.799 0.547 1.00 0.00 C ATOM 0 H PHE A 488 6.307 5.324 -3.038 1.00 0.00 H new ATOM 0 HA PHE A 488 3.749 6.781 -2.687 1.00 0.00 H new ATOM 0 HB2 PHE A 488 6.484 7.615 -3.698 1.00 0.00 H new ATOM 0 HB3 PHE A 488 5.031 8.559 -3.961 1.00 0.00 H new ATOM 0 HD1 PHE A 488 3.768 9.499 -1.975 1.00 0.00 H new ATOM 0 HD2 PHE A 488 7.643 7.656 -1.581 1.00 0.00 H new ATOM 0 HE1 PHE A 488 4.100 10.659 0.197 1.00 0.00 H new ATOM 0 HE2 PHE A 488 7.953 8.786 0.612 1.00 0.00 H new ATOM 0 HZ PHE A 488 6.187 10.296 1.496 1.00 0.00 H new ATOM 844 N LEU A 489 2.979 5.969 -4.883 1.00 0.00 N ATOM 845 CA LEU A 489 2.388 5.752 -6.200 1.00 0.00 C ATOM 846 C LEU A 489 2.279 7.096 -6.922 1.00 0.00 C ATOM 847 O LEU A 489 1.920 8.095 -6.296 1.00 0.00 O ATOM 848 CB LEU A 489 0.975 5.156 -6.054 1.00 0.00 C ATOM 849 CG LEU A 489 0.813 3.976 -5.080 1.00 0.00 C ATOM 850 CD1 LEU A 489 -0.670 3.600 -5.050 1.00 0.00 C ATOM 851 CD2 LEU A 489 1.664 2.756 -5.449 1.00 0.00 C ATOM 0 H LEU A 489 2.284 6.006 -4.137 1.00 0.00 H new ATOM 0 HA LEU A 489 3.016 5.063 -6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 489 0.302 5.953 -5.736 1.00 0.00 H new ATOM 0 HB3 LEU A 489 0.641 4.831 -7.039 1.00 0.00 H new ATOM 0 HG LEU A 489 1.167 4.292 -4.099 1.00 0.00 H new ATOM 0 HD11 LEU A 489 -0.820 2.764 -4.367 1.00 0.00 H new ATOM 0 HD12 LEU A 489 -1.255 4.455 -4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 489 -0.993 3.313 -6.051 1.00 0.00 H new ATOM 0 HD21 LEU A 489 1.499 1.963 -4.719 1.00 0.00 H new ATOM 0 HD22 LEU A 489 1.381 2.401 -6.440 1.00 0.00 H new ATOM 0 HD23 LEU A 489 2.718 3.034 -5.451 1.00 0.00 H new ATOM 863 N LEU A 490 2.518 7.103 -8.231 1.00 0.00 N ATOM 864 CA LEU A 490 2.268 8.224 -9.136 1.00 0.00 C ATOM 865 C LEU A 490 1.338 7.723 -10.246 1.00 0.00 C ATOM 866 O LEU A 490 1.763 6.923 -11.084 1.00 0.00 O ATOM 867 CB LEU A 490 3.595 8.716 -9.750 1.00 0.00 C ATOM 868 CG LEU A 490 4.767 9.043 -8.808 1.00 0.00 C ATOM 869 CD1 LEU A 490 5.984 9.402 -9.676 1.00 0.00 C ATOM 870 CD2 LEU A 490 4.430 10.190 -7.850 1.00 0.00 C ATOM 0 H LEU A 490 2.908 6.293 -8.712 1.00 0.00 H new ATOM 0 HA LEU A 490 1.813 9.055 -8.596 1.00 0.00 H new ATOM 0 HB2 LEU A 490 3.937 7.955 -10.452 1.00 0.00 H new ATOM 0 HB3 LEU A 490 3.378 9.612 -10.332 1.00 0.00 H new ATOM 0 HG LEU A 490 4.981 8.174 -8.186 1.00 0.00 H new ATOM 0 HD11 LEU A 490 6.832 9.639 -9.033 1.00 0.00 H new ATOM 0 HD12 LEU A 490 6.238 8.556 -10.314 1.00 0.00 H new ATOM 0 HD13 LEU A 490 5.746 10.266 -10.296 1.00 0.00 H new ATOM 0 HD21 LEU A 490 5.285 10.387 -7.204 1.00 0.00 H new ATOM 0 HD22 LEU A 490 4.195 11.086 -8.424 1.00 0.00 H new ATOM 0 HD23 LEU A 490 3.570 9.914 -7.240 1.00 0.00 H new ATOM 882 N PHE A 491 0.077 8.159 -10.246 1.00 0.00 N ATOM 883 CA PHE A 491 -0.916 7.750 -11.247 1.00 0.00 C ATOM 884 C PHE A 491 -0.848 8.620 -12.513 1.00 0.00 C ATOM 885 O PHE A 491 -0.404 9.769 -12.475 1.00 0.00 O ATOM 886 CB PHE A 491 -2.318 7.774 -10.626 1.00 0.00 C ATOM 887 CG PHE A 491 -2.558 6.693 -9.587 1.00 0.00 C ATOM 888 CD1 PHE A 491 -3.061 5.432 -9.972 1.00 0.00 C ATOM 889 CD2 PHE A 491 -2.278 6.944 -8.229 1.00 0.00 C ATOM 890 CE1 PHE A 491 -3.280 4.436 -9.006 1.00 0.00 C ATOM 891 CE2 PHE A 491 -2.523 5.953 -7.263 1.00 0.00 C ATOM 892 CZ PHE A 491 -3.025 4.700 -7.651 1.00 0.00 C ATOM 0 H PHE A 491 -0.288 8.809 -9.550 1.00 0.00 H new ATOM 0 HA PHE A 491 -0.687 6.731 -11.559 1.00 0.00 H new ATOM 0 HB2 PHE A 491 -2.482 8.748 -10.165 1.00 0.00 H new ATOM 0 HB3 PHE A 491 -3.057 7.669 -11.421 1.00 0.00 H new ATOM 0 HD1 PHE A 491 -3.278 5.232 -11.011 1.00 0.00 H new ATOM 0 HD2 PHE A 491 -1.874 7.900 -7.930 1.00 0.00 H new ATOM 0 HE1 PHE A 491 -3.645 3.465 -9.306 1.00 0.00 H new ATOM 0 HE2 PHE A 491 -2.325 6.155 -6.221 1.00 0.00 H new ATOM 0 HZ PHE A 491 -3.215 3.940 -6.907 1.00 0.00 H new ATOM 902 N GLN A 492 -1.321 8.081 -13.640 1.00 0.00 N ATOM 903 CA GLN A 492 -1.336 8.781 -14.930 1.00 0.00 C ATOM 904 C GLN A 492 -2.434 9.857 -15.023 1.00 0.00 C ATOM 905 O GLN A 492 -2.260 10.836 -15.751 1.00 0.00 O ATOM 906 CB GLN A 492 -1.497 7.727 -16.040 1.00 0.00 C ATOM 907 CG GLN A 492 -1.446 8.259 -17.485 1.00 0.00 C ATOM 908 CD GLN A 492 -0.150 8.999 -17.823 1.00 0.00 C ATOM 909 OE1 GLN A 492 0.824 8.427 -18.299 1.00 0.00 O ATOM 910 NE2 GLN A 492 -0.083 10.295 -17.589 1.00 0.00 N ATOM 0 H GLN A 492 -1.708 7.138 -13.684 1.00 0.00 H new ATOM 0 HA GLN A 492 -0.396 9.320 -15.043 1.00 0.00 H new ATOM 0 HB2 GLN A 492 -0.713 6.979 -15.921 1.00 0.00 H new ATOM 0 HB3 GLN A 492 -2.449 7.217 -15.895 1.00 0.00 H new ATOM 0 HG2 GLN A 492 -1.567 7.424 -18.175 1.00 0.00 H new ATOM 0 HG3 GLN A 492 -2.290 8.930 -17.646 1.00 0.00 H new ATOM 0 HE21 GLN A 492 -0.886 10.784 -17.193 1.00 0.00 H new ATOM 0 HE22 GLN A 492 0.772 10.809 -17.804 1.00 0.00 H new ATOM 919 N GLU A 493 -3.537 9.706 -14.284 1.00 0.00 N ATOM 920 CA GLU A 493 -4.697 10.608 -14.298 1.00 0.00 C ATOM 921 C GLU A 493 -5.284 10.772 -12.889 1.00 0.00 C ATOM 922 O GLU A 493 -5.272 9.845 -12.077 1.00 0.00 O ATOM 923 CB GLU A 493 -5.788 10.089 -15.255 1.00 0.00 C ATOM 924 CG GLU A 493 -5.347 10.048 -16.723 1.00 0.00 C ATOM 925 CD GLU A 493 -6.522 9.703 -17.651 1.00 0.00 C ATOM 926 OE1 GLU A 493 -7.234 10.632 -18.103 1.00 0.00 O ATOM 927 OE2 GLU A 493 -6.727 8.505 -17.960 1.00 0.00 O ATOM 0 H GLU A 493 -3.653 8.926 -13.637 1.00 0.00 H new ATOM 0 HA GLU A 493 -4.351 11.579 -14.651 1.00 0.00 H new ATOM 0 HB2 GLU A 493 -6.085 9.087 -14.945 1.00 0.00 H new ATOM 0 HB3 GLU A 493 -6.669 10.724 -15.167 1.00 0.00 H new ATOM 0 HG2 GLU A 493 -4.929 11.014 -17.006 1.00 0.00 H new ATOM 0 HG3 GLU A 493 -4.555 9.309 -16.846 1.00 0.00 H new ATOM 934 N GLU A 494 -5.814 11.961 -12.588 1.00 0.00 N ATOM 935 CA GLU A 494 -6.406 12.291 -11.286 1.00 0.00 C ATOM 936 C GLU A 494 -7.652 11.436 -10.993 1.00 0.00 C ATOM 937 O GLU A 494 -7.923 11.088 -9.843 1.00 0.00 O ATOM 938 CB GLU A 494 -6.777 13.786 -11.226 1.00 0.00 C ATOM 939 CG GLU A 494 -5.589 14.759 -11.358 1.00 0.00 C ATOM 940 CD GLU A 494 -4.999 14.908 -12.773 1.00 0.00 C ATOM 941 OE1 GLU A 494 -5.637 14.499 -13.770 1.00 0.00 O ATOM 942 OE2 GLU A 494 -3.856 15.409 -12.883 1.00 0.00 O ATOM 0 H GLU A 494 -5.845 12.735 -13.252 1.00 0.00 H new ATOM 0 HA GLU A 494 -5.657 12.072 -10.525 1.00 0.00 H new ATOM 0 HB2 GLU A 494 -7.492 13.999 -12.021 1.00 0.00 H new ATOM 0 HB3 GLU A 494 -7.284 13.981 -10.281 1.00 0.00 H new ATOM 0 HG2 GLU A 494 -5.909 15.742 -11.013 1.00 0.00 H new ATOM 0 HG3 GLU A 494 -4.796 14.428 -10.687 1.00 0.00 H new ATOM 949 N SER A 495 -8.369 11.007 -12.031 1.00 0.00 N ATOM 950 CA SER A 495 -9.483 10.058 -11.933 1.00 0.00 C ATOM 951 C SER A 495 -9.055 8.685 -11.387 1.00 0.00 C ATOM 952 O SER A 495 -9.851 8.020 -10.727 1.00 0.00 O ATOM 953 CB SER A 495 -10.156 9.910 -13.305 1.00 0.00 C ATOM 954 OG SER A 495 -9.204 9.638 -14.329 1.00 0.00 O ATOM 0 H SER A 495 -8.189 11.315 -12.986 1.00 0.00 H new ATOM 0 HA SER A 495 -10.195 10.464 -11.214 1.00 0.00 H new ATOM 0 HB2 SER A 495 -10.890 9.105 -13.266 1.00 0.00 H new ATOM 0 HB3 SER A 495 -10.699 10.824 -13.545 1.00 0.00 H new ATOM 0 HG SER A 495 -9.665 9.548 -15.189 1.00 0.00 H new ATOM 960 N SER A 496 -7.792 8.277 -11.553 1.00 0.00 N ATOM 961 CA SER A 496 -7.255 7.056 -10.940 1.00 0.00 C ATOM 962 C SER A 496 -7.020 7.232 -9.432 1.00 0.00 C ATOM 963 O SER A 496 -7.260 6.304 -8.657 1.00 0.00 O ATOM 964 CB SER A 496 -5.936 6.648 -11.611 1.00 0.00 C ATOM 965 OG SER A 496 -6.048 6.548 -13.025 1.00 0.00 O ATOM 0 H SER A 496 -7.111 8.785 -12.118 1.00 0.00 H new ATOM 0 HA SER A 496 -7.999 6.273 -11.086 1.00 0.00 H new ATOM 0 HB2 SER A 496 -5.166 7.378 -11.362 1.00 0.00 H new ATOM 0 HB3 SER A 496 -5.609 5.690 -11.208 1.00 0.00 H new ATOM 0 HG SER A 496 -6.560 5.745 -13.257 1.00 0.00 H new ATOM 971 N VAL A 497 -6.628 8.435 -8.992 1.00 0.00 N ATOM 972 CA VAL A 497 -6.511 8.765 -7.559 1.00 0.00 C ATOM 973 C VAL A 497 -7.903 8.812 -6.920 1.00 0.00 C ATOM 974 O VAL A 497 -8.095 8.289 -5.825 1.00 0.00 O ATOM 975 CB VAL A 497 -5.749 10.089 -7.308 1.00 0.00 C ATOM 976 CG1 VAL A 497 -5.634 10.401 -5.806 1.00 0.00 C ATOM 977 CG2 VAL A 497 -4.334 10.038 -7.905 1.00 0.00 C ATOM 0 H VAL A 497 -6.383 9.206 -9.613 1.00 0.00 H new ATOM 0 HA VAL A 497 -5.921 7.976 -7.092 1.00 0.00 H new ATOM 0 HB VAL A 497 -6.326 10.875 -7.796 1.00 0.00 H new ATOM 0 HG11 VAL A 497 -5.093 11.337 -5.669 1.00 0.00 H new ATOM 0 HG12 VAL A 497 -6.631 10.492 -5.376 1.00 0.00 H new ATOM 0 HG13 VAL A 497 -5.096 9.595 -5.307 1.00 0.00 H new ATOM 0 HG21 VAL A 497 -3.824 10.982 -7.713 1.00 0.00 H new ATOM 0 HG22 VAL A 497 -3.775 9.223 -7.446 1.00 0.00 H new ATOM 0 HG23 VAL A 497 -4.399 9.873 -8.981 1.00 0.00 H new ATOM 987 N GLN A 498 -8.901 9.369 -7.616 1.00 0.00 N ATOM 988 CA GLN A 498 -10.282 9.379 -7.132 1.00 0.00 C ATOM 989 C GLN A 498 -10.889 7.970 -7.100 1.00 0.00 C ATOM 990 O GLN A 498 -11.548 7.631 -6.122 1.00 0.00 O ATOM 991 CB GLN A 498 -11.116 10.326 -8.009 1.00 0.00 C ATOM 992 CG GLN A 498 -12.550 10.536 -7.489 1.00 0.00 C ATOM 993 CD GLN A 498 -12.603 11.070 -6.053 1.00 0.00 C ATOM 994 OE1 GLN A 498 -11.984 12.070 -5.707 1.00 0.00 O ATOM 995 NE2 GLN A 498 -13.322 10.427 -5.159 1.00 0.00 N ATOM 0 H GLN A 498 -8.774 9.821 -8.522 1.00 0.00 H new ATOM 0 HA GLN A 498 -10.288 9.740 -6.103 1.00 0.00 H new ATOM 0 HB2 GLN A 498 -10.614 11.292 -8.068 1.00 0.00 H new ATOM 0 HB3 GLN A 498 -11.160 9.927 -9.022 1.00 0.00 H new ATOM 0 HG2 GLN A 498 -13.069 11.232 -8.147 1.00 0.00 H new ATOM 0 HG3 GLN A 498 -13.089 9.590 -7.537 1.00 0.00 H new ATOM 0 HE21 GLN A 498 -13.844 9.593 -5.428 1.00 0.00 H new ATOM 0 HE22 GLN A 498 -13.358 10.762 -4.196 1.00 0.00 H new ATOM 1004 N ALA A 499 -10.633 7.124 -8.103 1.00 0.00 N ATOM 1005 CA ALA A 499 -11.071 5.722 -8.098 1.00 0.00 C ATOM 1006 C ALA A 499 -10.489 4.927 -6.919 1.00 0.00 C ATOM 1007 O ALA A 499 -11.187 4.086 -6.348 1.00 0.00 O ATOM 1008 CB ALA A 499 -10.688 5.061 -9.426 1.00 0.00 C ATOM 0 H ALA A 499 -10.117 7.390 -8.941 1.00 0.00 H new ATOM 0 HA ALA A 499 -12.154 5.715 -7.978 1.00 0.00 H new ATOM 0 HB1 ALA A 499 -11.013 4.021 -9.422 1.00 0.00 H new ATOM 0 HB2 ALA A 499 -11.171 5.589 -10.248 1.00 0.00 H new ATOM 0 HB3 ALA A 499 -9.606 5.102 -9.554 1.00 0.00 H new ATOM 1014 N LEU A 500 -9.244 5.219 -6.522 1.00 0.00 N ATOM 1015 CA LEU A 500 -8.647 4.681 -5.301 1.00 0.00 C ATOM 1016 C LEU A 500 -9.387 5.191 -4.055 1.00 0.00 C ATOM 1017 O LEU A 500 -9.776 4.386 -3.214 1.00 0.00 O ATOM 1018 CB LEU A 500 -7.136 4.989 -5.297 1.00 0.00 C ATOM 1019 CG LEU A 500 -6.405 4.694 -3.972 1.00 0.00 C ATOM 1020 CD1 LEU A 500 -6.565 3.246 -3.502 1.00 0.00 C ATOM 1021 CD2 LEU A 500 -4.911 4.988 -4.150 1.00 0.00 C ATOM 0 H LEU A 500 -8.623 5.838 -7.043 1.00 0.00 H new ATOM 0 HA LEU A 500 -8.755 3.597 -5.275 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -6.662 4.411 -6.090 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -6.996 6.042 -5.543 1.00 0.00 H new ATOM 0 HG LEU A 500 -6.855 5.333 -3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -6.026 3.106 -2.565 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -7.622 3.028 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -6.161 2.572 -4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -4.386 4.782 -3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -4.507 4.356 -4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -4.776 6.036 -4.419 1.00 0.00 H new ATOM 1033 N ILE A 501 -9.646 6.500 -3.947 1.00 0.00 N ATOM 1034 CA ILE A 501 -10.415 7.094 -2.830 1.00 0.00 C ATOM 1035 C ILE A 501 -11.807 6.449 -2.703 1.00 0.00 C ATOM 1036 O ILE A 501 -12.226 6.098 -1.600 1.00 0.00 O ATOM 1037 CB ILE A 501 -10.500 8.635 -2.985 1.00 0.00 C ATOM 1038 CG1 ILE A 501 -9.099 9.276 -2.845 1.00 0.00 C ATOM 1039 CG2 ILE A 501 -11.455 9.244 -1.937 1.00 0.00 C ATOM 1040 CD1 ILE A 501 -9.012 10.728 -3.331 1.00 0.00 C ATOM 0 H ILE A 501 -9.329 7.186 -4.632 1.00 0.00 H new ATOM 0 HA ILE A 501 -9.886 6.885 -1.900 1.00 0.00 H new ATOM 0 HB ILE A 501 -10.891 8.846 -3.980 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -8.799 9.238 -1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -8.381 8.676 -3.404 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -11.497 10.325 -2.068 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -12.453 8.824 -2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 501 -11.091 9.013 -0.936 1.00 0.00 H new ATOM 0 HD11 ILE A 501 -7.995 11.097 -3.196 1.00 0.00 H new ATOM 0 HD12 ILE A 501 -9.277 10.775 -4.387 1.00 0.00 H new ATOM 0 HD13 ILE A 501 -9.702 11.346 -2.756 1.00 0.00 H new ATOM 1052 N ASP A 502 -12.496 6.224 -3.823 1.00 0.00 N ATOM 1053 CA ASP A 502 -13.806 5.564 -3.894 1.00 0.00 C ATOM 1054 C ASP A 502 -13.774 4.057 -3.554 1.00 0.00 C ATOM 1055 O ASP A 502 -14.826 3.477 -3.272 1.00 0.00 O ATOM 1056 CB ASP A 502 -14.421 5.805 -5.287 1.00 0.00 C ATOM 1057 CG ASP A 502 -15.287 7.074 -5.315 1.00 0.00 C ATOM 1058 OD1 ASP A 502 -16.444 7.015 -4.833 1.00 0.00 O ATOM 1059 OD2 ASP A 502 -14.824 8.120 -5.826 1.00 0.00 O ATOM 0 H ASP A 502 -12.147 6.505 -4.739 1.00 0.00 H new ATOM 0 HA ASP A 502 -14.431 6.013 -3.122 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -13.625 5.892 -6.026 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -15.027 4.945 -5.571 1.00 0.00 H new ATOM 1064 N ALA A 503 -12.592 3.428 -3.533 1.00 0.00 N ATOM 1065 CA ALA A 503 -12.388 2.040 -3.109 1.00 0.00 C ATOM 1066 C ALA A 503 -11.840 1.912 -1.673 1.00 0.00 C ATOM 1067 O ALA A 503 -11.887 0.820 -1.098 1.00 0.00 O ATOM 1068 CB ALA A 503 -11.461 1.364 -4.124 1.00 0.00 C ATOM 0 H ALA A 503 -11.727 3.886 -3.819 1.00 0.00 H new ATOM 0 HA ALA A 503 -13.357 1.541 -3.084 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -11.293 0.328 -3.830 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -11.921 1.391 -5.112 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -10.508 1.891 -4.154 1.00 0.00 H new ATOM 1074 N CYS A 504 -11.335 3.000 -1.081 1.00 0.00 N ATOM 1075 CA CYS A 504 -10.745 2.992 0.257 1.00 0.00 C ATOM 1076 C CYS A 504 -11.785 2.866 1.384 1.00 0.00 C ATOM 1077 O CYS A 504 -12.888 3.420 1.326 1.00 0.00 O ATOM 1078 CB CYS A 504 -9.916 4.267 0.473 1.00 0.00 C ATOM 1079 SG CYS A 504 -8.338 4.187 -0.419 1.00 0.00 S ATOM 0 H CYS A 504 -11.326 3.919 -1.524 1.00 0.00 H new ATOM 0 HA CYS A 504 -10.111 2.107 0.306 1.00 0.00 H new ATOM 0 HB2 CYS A 504 -10.484 5.134 0.135 1.00 0.00 H new ATOM 0 HB3 CYS A 504 -9.728 4.405 1.538 1.00 0.00 H new ATOM 0 HG CYS A 504 -8.559 4.245 -1.699 1.00 0.00 H new ATOM 1085 N LEU A 505 -11.378 2.162 2.440 1.00 0.00 N ATOM 1086 CA LEU A 505 -12.025 2.144 3.752 1.00 0.00 C ATOM 1087 C LEU A 505 -11.540 3.377 4.533 1.00 0.00 C ATOM 1088 O LEU A 505 -10.649 4.097 4.078 1.00 0.00 O ATOM 1089 CB LEU A 505 -11.662 0.836 4.487 1.00 0.00 C ATOM 1090 CG LEU A 505 -12.139 -0.449 3.783 1.00 0.00 C ATOM 1091 CD1 LEU A 505 -11.575 -1.674 4.518 1.00 0.00 C ATOM 1092 CD2 LEU A 505 -13.670 -0.544 3.715 1.00 0.00 C ATOM 0 H LEU A 505 -10.553 1.563 2.403 1.00 0.00 H new ATOM 0 HA LEU A 505 -13.110 2.180 3.657 1.00 0.00 H new ATOM 0 HB2 LEU A 505 -10.579 0.789 4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 505 -12.091 0.866 5.489 1.00 0.00 H new ATOM 0 HG LEU A 505 -11.770 -0.420 2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 505 -11.912 -2.584 4.021 1.00 0.00 H new ATOM 0 HD12 LEU A 505 -10.486 -1.636 4.506 1.00 0.00 H new ATOM 0 HD13 LEU A 505 -11.927 -1.673 5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 505 -13.955 -1.467 3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 505 -14.080 -0.541 4.725 1.00 0.00 H new ATOM 0 HD23 LEU A 505 -14.063 0.309 3.162 1.00 0.00 H new ATOM 1104 N GLU A 506 -12.088 3.607 5.723 1.00 0.00 N ATOM 1105 CA GLU A 506 -11.763 4.773 6.554 1.00 0.00 C ATOM 1106 C GLU A 506 -11.765 4.411 8.046 1.00 0.00 C ATOM 1107 O GLU A 506 -12.632 3.667 8.511 1.00 0.00 O ATOM 1108 CB GLU A 506 -12.749 5.915 6.251 1.00 0.00 C ATOM 1109 CG GLU A 506 -12.330 7.249 6.884 1.00 0.00 C ATOM 1110 CD GLU A 506 -13.388 8.327 6.625 1.00 0.00 C ATOM 1111 OE1 GLU A 506 -13.313 9.020 5.583 1.00 0.00 O ATOM 1112 OE2 GLU A 506 -14.297 8.482 7.473 1.00 0.00 O ATOM 0 H GLU A 506 -12.778 2.986 6.146 1.00 0.00 H new ATOM 0 HA GLU A 506 -10.755 5.109 6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 506 -12.831 6.041 5.171 1.00 0.00 H new ATOM 0 HB3 GLU A 506 -13.739 5.640 6.616 1.00 0.00 H new ATOM 0 HG2 GLU A 506 -12.190 7.120 7.957 1.00 0.00 H new ATOM 0 HG3 GLU A 506 -11.372 7.567 6.474 1.00 0.00 H new ATOM 1175 N LEU A 511 -7.433 6.907 5.426 1.00 0.00 N ATOM 1176 CA LEU A 511 -7.946 5.938 4.450 1.00 0.00 C ATOM 1177 C LEU A 511 -7.093 4.664 4.426 1.00 0.00 C ATOM 1178 O LEU A 511 -5.895 4.702 4.715 1.00 0.00 O ATOM 1179 CB LEU A 511 -8.003 6.584 3.051 1.00 0.00 C ATOM 1180 CG LEU A 511 -8.986 7.760 2.884 1.00 0.00 C ATOM 1181 CD1 LEU A 511 -8.872 8.309 1.452 1.00 0.00 C ATOM 1182 CD2 LEU A 511 -10.441 7.355 3.161 1.00 0.00 C ATOM 0 HA LEU A 511 -8.954 5.650 4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 511 -7.003 6.934 2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 511 -8.266 5.812 2.328 1.00 0.00 H new ATOM 0 HG LEU A 511 -8.717 8.522 3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 511 -9.564 9.141 1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 511 -7.853 8.654 1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 511 -9.118 7.521 0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 511 -11.091 8.220 3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 511 -10.738 6.569 2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 511 -10.528 6.988 4.184 1.00 0.00 H new ATOM 1194 N TYR A 512 -7.703 3.536 4.054 1.00 0.00 N ATOM 1195 CA TYR A 512 -7.048 2.221 3.994 1.00 0.00 C ATOM 1196 C TYR A 512 -7.512 1.367 2.799 1.00 0.00 C ATOM 1197 O TYR A 512 -8.649 1.481 2.342 1.00 0.00 O ATOM 1198 CB TYR A 512 -7.249 1.450 5.316 1.00 0.00 C ATOM 1199 CG TYR A 512 -6.607 2.089 6.536 1.00 0.00 C ATOM 1200 CD1 TYR A 512 -7.285 3.092 7.258 1.00 0.00 C ATOM 1201 CD2 TYR A 512 -5.321 1.684 6.945 1.00 0.00 C ATOM 1202 CE1 TYR A 512 -6.664 3.718 8.355 1.00 0.00 C ATOM 1203 CE2 TYR A 512 -4.699 2.299 8.049 1.00 0.00 C ATOM 1204 CZ TYR A 512 -5.364 3.330 8.749 1.00 0.00 C ATOM 1205 OH TYR A 512 -4.757 3.947 9.803 1.00 0.00 O ATOM 0 H TYR A 512 -8.685 3.507 3.780 1.00 0.00 H new ATOM 0 HA TYR A 512 -5.985 2.414 3.847 1.00 0.00 H new ATOM 0 HB2 TYR A 512 -8.318 1.346 5.499 1.00 0.00 H new ATOM 0 HB3 TYR A 512 -6.847 0.444 5.197 1.00 0.00 H new ATOM 0 HD1 TYR A 512 -8.284 3.381 6.968 1.00 0.00 H new ATOM 0 HD2 TYR A 512 -4.810 0.898 6.409 1.00 0.00 H new ATOM 0 HE1 TYR A 512 -7.182 4.496 8.896 1.00 0.00 H new ATOM 0 HE2 TYR A 512 -3.714 1.983 8.360 1.00 0.00 H new ATOM 0 HH TYR A 512 -3.868 3.559 9.941 1.00 0.00 H new ATOM 1215 N LEU A 513 -6.642 0.471 2.324 1.00 0.00 N ATOM 1216 CA LEU A 513 -6.907 -0.501 1.254 1.00 0.00 C ATOM 1217 C LEU A 513 -6.264 -1.852 1.616 1.00 0.00 C ATOM 1218 O LEU A 513 -5.454 -1.918 2.541 1.00 0.00 O ATOM 1219 CB LEU A 513 -6.340 0.055 -0.071 1.00 0.00 C ATOM 1220 CG LEU A 513 -7.039 -0.480 -1.337 1.00 0.00 C ATOM 1221 CD1 LEU A 513 -8.350 0.283 -1.582 1.00 0.00 C ATOM 1222 CD2 LEU A 513 -6.134 -0.337 -2.559 1.00 0.00 C ATOM 0 H LEU A 513 -5.692 0.398 2.689 1.00 0.00 H new ATOM 0 HA LEU A 513 -7.979 -0.661 1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -6.420 1.142 -0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 513 -5.278 -0.186 -0.127 1.00 0.00 H new ATOM 0 HG LEU A 513 -7.256 -1.537 -1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -8.834 -0.104 -2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -9.013 0.152 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 513 -8.135 1.343 -1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -6.649 -0.721 -3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -5.891 0.715 -2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -5.216 -0.902 -2.400 1.00 0.00 H new ATOM 1234 N CYS A 514 -6.594 -2.921 0.885 1.00 0.00 N ATOM 1235 CA CYS A 514 -6.027 -4.264 1.047 1.00 0.00 C ATOM 1236 C CYS A 514 -5.020 -4.620 -0.070 1.00 0.00 C ATOM 1237 O CYS A 514 -5.233 -4.281 -1.238 1.00 0.00 O ATOM 1238 CB CYS A 514 -7.191 -5.268 1.147 1.00 0.00 C ATOM 1239 SG CYS A 514 -8.271 -5.179 -0.318 1.00 0.00 S ATOM 0 H CYS A 514 -7.287 -2.874 0.138 1.00 0.00 H new ATOM 0 HA CYS A 514 -5.441 -4.304 1.965 1.00 0.00 H new ATOM 0 HB2 CYS A 514 -6.795 -6.278 1.248 1.00 0.00 H new ATOM 0 HB3 CYS A 514 -7.775 -5.063 2.045 1.00 0.00 H new ATOM 0 HG CYS A 514 -9.237 -6.040 -0.198 1.00 0.00 H new ATOM 1245 N VAL A 515 -3.942 -5.326 0.289 1.00 0.00 N ATOM 1246 CA VAL A 515 -2.884 -5.846 -0.612 1.00 0.00 C ATOM 1247 C VAL A 515 -2.370 -7.209 -0.109 1.00 0.00 C ATOM 1248 O VAL A 515 -2.730 -7.628 0.987 1.00 0.00 O ATOM 1249 CB VAL A 515 -1.707 -4.849 -0.790 1.00 0.00 C ATOM 1250 CG1 VAL A 515 -2.154 -3.514 -1.409 1.00 0.00 C ATOM 1251 CG2 VAL A 515 -0.957 -4.569 0.523 1.00 0.00 C ATOM 0 H VAL A 515 -3.766 -5.568 1.264 1.00 0.00 H new ATOM 0 HA VAL A 515 -3.338 -5.976 -1.594 1.00 0.00 H new ATOM 0 HB VAL A 515 -1.024 -5.346 -1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -1.293 -2.854 -1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -2.590 -3.696 -2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -2.896 -3.044 -0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 515 -0.146 -3.866 0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -1.646 -4.142 1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -0.547 -5.500 0.913 1.00 0.00 H new ATOM 1261 N SER A 516 -1.537 -7.914 -0.879 1.00 0.00 N ATOM 1262 CA SER A 516 -1.039 -9.264 -0.536 1.00 0.00 C ATOM 1263 C SER A 516 0.386 -9.542 -1.057 1.00 0.00 C ATOM 1264 O SER A 516 0.871 -8.898 -1.987 1.00 0.00 O ATOM 1265 CB SER A 516 -1.977 -10.345 -1.103 1.00 0.00 C ATOM 1266 OG SER A 516 -3.254 -10.361 -0.476 1.00 0.00 O ATOM 0 H SER A 516 -1.181 -7.567 -1.769 1.00 0.00 H new ATOM 0 HA SER A 516 -1.013 -9.299 0.553 1.00 0.00 H new ATOM 0 HB2 SER A 516 -2.106 -10.181 -2.173 1.00 0.00 H new ATOM 0 HB3 SER A 516 -1.509 -11.322 -0.985 1.00 0.00 H new ATOM 0 HG SER A 516 -3.932 -10.037 -1.106 1.00 0.00 H new ATOM 1272 N SER A 517 1.042 -10.551 -0.483 1.00 0.00 N ATOM 1273 CA SER A 517 2.385 -11.038 -0.830 1.00 0.00 C ATOM 1274 C SER A 517 2.504 -12.566 -0.582 1.00 0.00 C ATOM 1275 O SER A 517 1.545 -13.181 -0.090 1.00 0.00 O ATOM 1276 CB SER A 517 3.414 -10.275 0.023 1.00 0.00 C ATOM 1277 OG SER A 517 3.375 -10.749 1.361 1.00 0.00 O ATOM 0 H SER A 517 0.629 -11.084 0.282 1.00 0.00 H new ATOM 0 HA SER A 517 2.573 -10.863 -1.889 1.00 0.00 H new ATOM 0 HB2 SER A 517 4.414 -10.408 -0.391 1.00 0.00 H new ATOM 0 HB3 SER A 517 3.199 -9.207 -0.001 1.00 0.00 H new ATOM 0 HG SER A 517 2.716 -10.234 1.871 1.00 0.00 H new ATOM 1283 N PRO A 518 3.664 -13.202 -0.861 1.00 0.00 N ATOM 1284 CA PRO A 518 3.934 -14.589 -0.474 1.00 0.00 C ATOM 1285 C PRO A 518 4.002 -14.814 1.046 1.00 0.00 C ATOM 1286 O PRO A 518 3.966 -15.967 1.480 1.00 0.00 O ATOM 1287 CB PRO A 518 5.271 -14.956 -1.131 1.00 0.00 C ATOM 1288 CG PRO A 518 5.404 -13.956 -2.276 1.00 0.00 C ATOM 1289 CD PRO A 518 4.758 -12.709 -1.681 1.00 0.00 C ATOM 0 HA PRO A 518 3.111 -15.221 -0.807 1.00 0.00 H new ATOM 0 HB2 PRO A 518 6.099 -14.870 -0.427 1.00 0.00 H new ATOM 0 HB3 PRO A 518 5.268 -15.983 -1.496 1.00 0.00 H new ATOM 0 HG2 PRO A 518 6.445 -13.785 -2.550 1.00 0.00 H new ATOM 0 HG3 PRO A 518 4.889 -14.294 -3.175 1.00 0.00 H new ATOM 0 HD2 PRO A 518 5.473 -12.142 -1.085 1.00 0.00 H new ATOM 0 HD3 PRO A 518 4.395 -12.042 -2.463 1.00 0.00 H new ATOM 1297 N THR A 519 4.099 -13.742 1.852 1.00 0.00 N ATOM 1298 CA THR A 519 4.229 -13.796 3.315 1.00 0.00 C ATOM 1299 C THR A 519 2.962 -13.364 4.045 1.00 0.00 C ATOM 1300 O THR A 519 2.680 -13.921 5.105 1.00 0.00 O ATOM 1301 CB THR A 519 5.427 -12.965 3.792 1.00 0.00 C ATOM 1302 OG1 THR A 519 5.358 -11.660 3.258 1.00 0.00 O ATOM 1303 CG2 THR A 519 6.748 -13.598 3.353 1.00 0.00 C ATOM 0 H THR A 519 4.089 -12.788 1.491 1.00 0.00 H new ATOM 0 HA THR A 519 4.397 -14.844 3.565 1.00 0.00 H new ATOM 0 HB THR A 519 5.389 -12.930 4.881 1.00 0.00 H new ATOM 0 HG1 THR A 519 4.517 -11.552 2.766 1.00 0.00 H new ATOM 0 HG21 THR A 519 7.579 -12.987 3.705 1.00 0.00 H new ATOM 0 HG22 THR A 519 6.829 -14.600 3.775 1.00 0.00 H new ATOM 0 HG23 THR A 519 6.778 -13.659 2.265 1.00 0.00 H new ATOM 1311 N ILE A 520 2.168 -12.443 3.485 1.00 0.00 N ATOM 1312 CA ILE A 520 0.930 -11.924 4.096 1.00 0.00 C ATOM 1313 C ILE A 520 -0.209 -11.871 3.069 1.00 0.00 C ATOM 1314 O ILE A 520 -0.093 -11.234 2.021 1.00 0.00 O ATOM 1315 CB ILE A 520 1.134 -10.510 4.707 1.00 0.00 C ATOM 1316 CG1 ILE A 520 2.423 -10.294 5.537 1.00 0.00 C ATOM 1317 CG2 ILE A 520 -0.108 -10.153 5.548 1.00 0.00 C ATOM 1318 CD1 ILE A 520 2.473 -10.986 6.904 1.00 0.00 C ATOM 0 H ILE A 520 2.369 -12.027 2.576 1.00 0.00 H new ATOM 0 HA ILE A 520 0.665 -12.613 4.898 1.00 0.00 H new ATOM 0 HB ILE A 520 1.263 -9.843 3.855 1.00 0.00 H new ATOM 0 HG12 ILE A 520 3.272 -10.640 4.947 1.00 0.00 H new ATOM 0 HG13 ILE A 520 2.556 -9.223 5.690 1.00 0.00 H new ATOM 0 HG21 ILE A 520 0.020 -9.162 5.984 1.00 0.00 H new ATOM 0 HG22 ILE A 520 -0.992 -10.157 4.911 1.00 0.00 H new ATOM 0 HG23 ILE A 520 -0.231 -10.887 6.345 1.00 0.00 H new ATOM 0 HD11 ILE A 520 3.422 -10.762 7.391 1.00 0.00 H new ATOM 0 HD12 ILE A 520 1.653 -10.625 7.525 1.00 0.00 H new ATOM 0 HD13 ILE A 520 2.380 -12.064 6.770 1.00 0.00 H new ATOM 1330 N LYS A 521 -1.348 -12.481 3.400 1.00 0.00 N ATOM 1331 CA LYS A 521 -2.603 -12.352 2.650 1.00 0.00 C ATOM 1332 C LYS A 521 -3.519 -11.277 3.262 1.00 0.00 C ATOM 1333 O LYS A 521 -3.732 -11.253 4.476 1.00 0.00 O ATOM 1334 CB LYS A 521 -3.305 -13.725 2.606 1.00 0.00 C ATOM 1335 CG LYS A 521 -2.846 -14.638 1.453 1.00 0.00 C ATOM 1336 CD LYS A 521 -3.077 -14.072 0.039 1.00 0.00 C ATOM 1337 CE LYS A 521 -4.533 -13.632 -0.199 1.00 0.00 C ATOM 1338 NZ LYS A 521 -4.674 -12.827 -1.438 1.00 0.00 N ATOM 0 H LYS A 521 -1.428 -13.092 4.213 1.00 0.00 H new ATOM 0 HA LYS A 521 -2.378 -12.029 1.634 1.00 0.00 H new ATOM 0 HB2 LYS A 521 -3.131 -14.239 3.551 1.00 0.00 H new ATOM 0 HB3 LYS A 521 -4.380 -13.567 2.522 1.00 0.00 H new ATOM 0 HG2 LYS A 521 -1.783 -14.845 1.575 1.00 0.00 H new ATOM 0 HG3 LYS A 521 -3.368 -15.591 1.536 1.00 0.00 H new ATOM 0 HD2 LYS A 521 -2.415 -13.221 -0.119 1.00 0.00 H new ATOM 0 HD3 LYS A 521 -2.806 -14.828 -0.698 1.00 0.00 H new ATOM 0 HE2 LYS A 521 -5.172 -14.513 -0.264 1.00 0.00 H new ATOM 0 HE3 LYS A 521 -4.880 -13.049 0.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 521 -5.682 -12.666 -1.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 521 -4.195 -11.912 -1.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 521 -4.244 -13.338 -2.235 1.00 0.00 H new ATOM 1352 N ASP A 522 -4.065 -10.403 2.407 1.00 0.00 N ATOM 1353 CA ASP A 522 -5.098 -9.393 2.759 1.00 0.00 C ATOM 1354 C ASP A 522 -4.604 -8.371 3.811 1.00 0.00 C ATOM 1355 O ASP A 522 -5.367 -7.892 4.651 1.00 0.00 O ATOM 1356 CB ASP A 522 -6.417 -10.089 3.154 1.00 0.00 C ATOM 1357 CG ASP A 522 -6.967 -10.972 2.024 1.00 0.00 C ATOM 1358 OD1 ASP A 522 -7.522 -10.418 1.046 1.00 0.00 O ATOM 1359 OD2 ASP A 522 -6.847 -12.217 2.117 1.00 0.00 O ATOM 0 H ASP A 522 -3.800 -10.370 1.423 1.00 0.00 H new ATOM 0 HA ASP A 522 -5.300 -8.795 1.870 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -6.252 -10.699 4.042 1.00 0.00 H new ATOM 0 HB3 ASP A 522 -7.159 -9.335 3.418 1.00 0.00 H new ATOM 1364 N LYS A 523 -3.313 -8.016 3.757 1.00 0.00 N ATOM 1365 CA LYS A 523 -2.717 -6.941 4.556 1.00 0.00 C ATOM 1366 C LYS A 523 -3.467 -5.605 4.328 1.00 0.00 C ATOM 1367 O LYS A 523 -3.608 -5.201 3.163 1.00 0.00 O ATOM 1368 CB LYS A 523 -1.232 -6.788 4.156 1.00 0.00 C ATOM 1369 CG LYS A 523 -0.473 -5.729 4.980 1.00 0.00 C ATOM 1370 CD LYS A 523 -0.025 -6.225 6.364 1.00 0.00 C ATOM 1371 CE LYS A 523 0.729 -5.153 7.167 1.00 0.00 C ATOM 1372 NZ LYS A 523 -0.122 -3.992 7.547 1.00 0.00 N ATOM 0 H LYS A 523 -2.642 -8.479 3.144 1.00 0.00 H new ATOM 0 HA LYS A 523 -2.795 -7.195 5.613 1.00 0.00 H new ATOM 0 HB2 LYS A 523 -0.733 -7.750 4.271 1.00 0.00 H new ATOM 0 HB3 LYS A 523 -1.175 -6.523 3.100 1.00 0.00 H new ATOM 0 HG2 LYS A 523 0.404 -5.405 4.419 1.00 0.00 H new ATOM 0 HG3 LYS A 523 -1.111 -4.855 5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 523 -0.899 -6.548 6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 523 0.616 -7.098 6.242 1.00 0.00 H new ATOM 0 HE2 LYS A 523 1.137 -5.606 8.070 1.00 0.00 H new ATOM 0 HE3 LYS A 523 1.575 -4.797 6.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 523 0.472 -3.248 7.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 523 -0.599 -3.620 6.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 523 -0.835 -4.296 8.241 1.00 0.00 H new ATOM 1386 N PRO A 524 -3.894 -4.894 5.393 1.00 0.00 N ATOM 1387 CA PRO A 524 -4.404 -3.536 5.293 1.00 0.00 C ATOM 1388 C PRO A 524 -3.224 -2.562 5.208 1.00 0.00 C ATOM 1389 O PRO A 524 -2.238 -2.701 5.933 1.00 0.00 O ATOM 1390 CB PRO A 524 -5.241 -3.310 6.553 1.00 0.00 C ATOM 1391 CG PRO A 524 -4.573 -4.211 7.595 1.00 0.00 C ATOM 1392 CD PRO A 524 -3.906 -5.327 6.784 1.00 0.00 C ATOM 0 HA PRO A 524 -5.013 -3.376 4.404 1.00 0.00 H new ATOM 0 HB2 PRO A 524 -5.229 -2.264 6.860 1.00 0.00 H new ATOM 0 HB3 PRO A 524 -6.284 -3.584 6.396 1.00 0.00 H new ATOM 0 HG2 PRO A 524 -3.840 -3.658 8.183 1.00 0.00 H new ATOM 0 HG3 PRO A 524 -5.305 -4.615 8.295 1.00 0.00 H new ATOM 0 HD2 PRO A 524 -2.892 -5.509 7.140 1.00 0.00 H new ATOM 0 HD3 PRO A 524 -4.455 -6.263 6.892 1.00 0.00 H new ATOM 1400 N VAL A 525 -3.338 -1.572 4.327 1.00 0.00 N ATOM 1401 CA VAL A 525 -2.329 -0.525 4.096 1.00 0.00 C ATOM 1402 C VAL A 525 -2.972 0.857 4.157 1.00 0.00 C ATOM 1403 O VAL A 525 -4.058 1.057 3.619 1.00 0.00 O ATOM 1404 CB VAL A 525 -1.582 -0.716 2.755 1.00 0.00 C ATOM 1405 CG1 VAL A 525 -0.571 -1.861 2.889 1.00 0.00 C ATOM 1406 CG2 VAL A 525 -2.492 -0.979 1.539 1.00 0.00 C ATOM 0 H VAL A 525 -4.159 -1.467 3.731 1.00 0.00 H new ATOM 0 HA VAL A 525 -1.588 -0.610 4.891 1.00 0.00 H new ATOM 0 HB VAL A 525 -1.086 0.234 2.557 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -0.045 -1.995 1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 525 0.147 -1.622 3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -1.096 -2.781 3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -1.879 -1.100 0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -3.071 -1.887 1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -3.170 -0.136 1.403 1.00 0.00 H new ATOM 1416 N GLN A 526 -2.313 1.797 4.838 1.00 0.00 N ATOM 1417 CA GLN A 526 -2.758 3.185 4.962 1.00 0.00 C ATOM 1418 C GLN A 526 -2.525 3.911 3.636 1.00 0.00 C ATOM 1419 O GLN A 526 -1.426 3.856 3.092 1.00 0.00 O ATOM 1420 CB GLN A 526 -1.986 3.883 6.096 1.00 0.00 C ATOM 1421 CG GLN A 526 -2.567 5.275 6.405 1.00 0.00 C ATOM 1422 CD GLN A 526 -1.699 6.057 7.387 1.00 0.00 C ATOM 1423 OE1 GLN A 526 -0.709 6.680 7.020 1.00 0.00 O ATOM 1424 NE2 GLN A 526 -2.031 6.072 8.662 1.00 0.00 N ATOM 0 H GLN A 526 -1.438 1.610 5.328 1.00 0.00 H new ATOM 0 HA GLN A 526 -3.821 3.208 5.201 1.00 0.00 H new ATOM 0 HB2 GLN A 526 -2.021 3.266 6.994 1.00 0.00 H new ATOM 0 HB3 GLN A 526 -0.937 3.980 5.817 1.00 0.00 H new ATOM 0 HG2 GLN A 526 -2.664 5.840 5.478 1.00 0.00 H new ATOM 0 HG3 GLN A 526 -3.570 5.165 6.817 1.00 0.00 H new ATOM 0 HE21 GLN A 526 -2.852 5.558 8.981 1.00 0.00 H new ATOM 0 HE22 GLN A 526 -1.467 6.598 9.330 1.00 0.00 H new ATOM 1433 N ILE A 527 -3.536 4.620 3.137 1.00 0.00 N ATOM 1434 CA ILE A 527 -3.494 5.375 1.878 1.00 0.00 C ATOM 1435 C ILE A 527 -3.596 6.869 2.208 1.00 0.00 C ATOM 1436 O ILE A 527 -4.503 7.277 2.935 1.00 0.00 O ATOM 1437 CB ILE A 527 -4.660 4.930 0.958 1.00 0.00 C ATOM 1438 CG1 ILE A 527 -4.778 3.401 0.778 1.00 0.00 C ATOM 1439 CG2 ILE A 527 -4.564 5.602 -0.422 1.00 0.00 C ATOM 1440 CD1 ILE A 527 -3.544 2.706 0.195 1.00 0.00 C ATOM 0 H ILE A 527 -4.437 4.689 3.610 1.00 0.00 H new ATOM 0 HA ILE A 527 -2.560 5.184 1.350 1.00 0.00 H new ATOM 0 HB ILE A 527 -5.564 5.256 1.473 1.00 0.00 H new ATOM 0 HG12 ILE A 527 -5.000 2.955 1.748 1.00 0.00 H new ATOM 0 HG13 ILE A 527 -5.630 3.194 0.130 1.00 0.00 H new ATOM 0 HG21 ILE A 527 -5.394 5.272 -1.046 1.00 0.00 H new ATOM 0 HG22 ILE A 527 -4.608 6.685 -0.303 1.00 0.00 H new ATOM 0 HG23 ILE A 527 -3.622 5.327 -0.896 1.00 0.00 H new ATOM 0 HD11 ILE A 527 -3.735 1.636 0.111 1.00 0.00 H new ATOM 0 HD12 ILE A 527 -3.329 3.115 -0.792 1.00 0.00 H new ATOM 0 HD13 ILE A 527 -2.689 2.872 0.851 1.00 0.00 H new ATOM 1452 N ARG A 528 -2.690 7.691 1.668 1.00 0.00 N ATOM 1453 CA ARG A 528 -2.682 9.150 1.866 1.00 0.00 C ATOM 1454 C ARG A 528 -2.378 9.878 0.543 1.00 0.00 C ATOM 1455 O ARG A 528 -1.204 10.077 0.216 1.00 0.00 O ATOM 1456 CB ARG A 528 -1.717 9.545 3.007 1.00 0.00 C ATOM 1457 CG ARG A 528 -2.261 9.153 4.390 1.00 0.00 C ATOM 1458 CD ARG A 528 -1.481 9.774 5.555 1.00 0.00 C ATOM 1459 NE ARG A 528 -0.130 9.201 5.690 1.00 0.00 N ATOM 1460 CZ ARG A 528 1.032 9.793 5.435 1.00 0.00 C ATOM 1461 NH1 ARG A 528 1.113 11.017 4.954 1.00 0.00 N ATOM 1462 NH2 ARG A 528 2.151 9.148 5.666 1.00 0.00 N ATOM 0 H ARG A 528 -1.930 7.360 1.073 1.00 0.00 H new ATOM 0 HA ARG A 528 -3.676 9.470 2.177 1.00 0.00 H new ATOM 0 HB2 ARG A 528 -0.752 9.063 2.848 1.00 0.00 H new ATOM 0 HB3 ARG A 528 -1.544 10.621 2.978 1.00 0.00 H new ATOM 0 HG2 ARG A 528 -3.305 9.457 4.460 1.00 0.00 H new ATOM 0 HG3 ARG A 528 -2.238 8.067 4.486 1.00 0.00 H new ATOM 0 HD2 ARG A 528 -1.404 10.851 5.405 1.00 0.00 H new ATOM 0 HD3 ARG A 528 -2.033 9.620 6.482 1.00 0.00 H new ATOM 0 HE ARG A 528 -0.081 8.236 6.018 1.00 0.00 H new ATOM 0 HH11 ARG A 528 0.263 11.547 4.763 1.00 0.00 H new ATOM 0 HH12 ARG A 528 2.026 11.434 4.772 1.00 0.00 H new ATOM 0 HH21 ARG A 528 2.125 8.199 6.039 1.00 0.00 H new ATOM 0 HH22 ARG A 528 3.047 9.596 5.473 1.00 0.00 H new ATOM 1476 N PRO A 529 -3.416 10.258 -0.236 1.00 0.00 N ATOM 1477 CA PRO A 529 -3.271 11.063 -1.446 1.00 0.00 C ATOM 1478 C PRO A 529 -2.650 12.426 -1.141 1.00 0.00 C ATOM 1479 O PRO A 529 -2.908 13.007 -0.086 1.00 0.00 O ATOM 1480 CB PRO A 529 -4.682 11.209 -2.032 1.00 0.00 C ATOM 1481 CG PRO A 529 -5.434 10.013 -1.455 1.00 0.00 C ATOM 1482 CD PRO A 529 -4.812 9.880 -0.067 1.00 0.00 C ATOM 0 HA PRO A 529 -2.598 10.584 -2.157 1.00 0.00 H new ATOM 0 HB2 PRO A 529 -5.143 12.152 -1.738 1.00 0.00 H new ATOM 0 HB3 PRO A 529 -4.668 11.187 -3.122 1.00 0.00 H new ATOM 0 HG2 PRO A 529 -6.508 10.193 -1.404 1.00 0.00 H new ATOM 0 HG3 PRO A 529 -5.290 9.114 -2.054 1.00 0.00 H new ATOM 0 HD2 PRO A 529 -5.311 10.529 0.652 1.00 0.00 H new ATOM 0 HD3 PRO A 529 -4.901 8.861 0.308 1.00 0.00 H new ATOM 1490 N TRP A 530 -1.844 12.945 -2.071 1.00 0.00 N ATOM 1491 CA TRP A 530 -1.111 14.206 -1.915 1.00 0.00 C ATOM 1492 C TRP A 530 -1.989 15.428 -2.259 1.00 0.00 C ATOM 1493 O TRP A 530 -1.653 16.262 -3.103 1.00 0.00 O ATOM 1494 CB TRP A 530 0.202 14.118 -2.706 1.00 0.00 C ATOM 1495 CG TRP A 530 1.261 15.080 -2.270 1.00 0.00 C ATOM 1496 CD1 TRP A 530 1.517 16.292 -2.812 1.00 0.00 C ATOM 1497 CD2 TRP A 530 2.228 14.918 -1.185 1.00 0.00 C ATOM 1498 NE1 TRP A 530 2.578 16.882 -2.154 1.00 0.00 N ATOM 1499 CE2 TRP A 530 3.063 16.074 -1.147 1.00 0.00 C ATOM 1500 CE3 TRP A 530 2.496 13.896 -0.243 1.00 0.00 C ATOM 1501 CZ2 TRP A 530 4.120 16.207 -0.235 1.00 0.00 C ATOM 1502 CZ3 TRP A 530 3.557 14.020 0.675 1.00 0.00 C ATOM 1503 CH2 TRP A 530 4.369 15.170 0.681 1.00 0.00 C ATOM 0 H TRP A 530 -1.679 12.493 -2.970 1.00 0.00 H new ATOM 0 HA TRP A 530 -0.847 14.361 -0.869 1.00 0.00 H new ATOM 0 HB2 TRP A 530 0.594 13.104 -2.621 1.00 0.00 H new ATOM 0 HB3 TRP A 530 -0.013 14.289 -3.761 1.00 0.00 H new ATOM 0 HD1 TRP A 530 0.974 16.732 -3.635 1.00 0.00 H new ATOM 0 HE1 TRP A 530 2.956 17.801 -2.384 1.00 0.00 H new ATOM 0 HE3 TRP A 530 1.879 13.010 -0.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 530 4.735 17.095 -0.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 530 3.749 13.226 1.381 1.00 0.00 H new ATOM 0 HH2 TRP A 530 5.181 15.255 1.388 1.00 0.00 H new