USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=13 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 110:sc= 0.706 USER MOD Set 1.2: A 521 LYS NZ :NH3+ 167:sc= 0.446 (180deg=-0.0775) USER MOD Set 2.1: A 512 TYR OH : rot 165:sc= 0.34 USER MOD Set 2.2: A 526 GLN : amide:sc= 1.56 K(o=1.9,f=-6.5!) USER MOD Single : A 442 LYS NZ :NH3+ -144:sc= 0.334 (180deg=0.0699) USER MOD Single : A 458 THR OG1 : rot 73:sc= 1.24 USER MOD Single : A 460 SER OG : rot 70:sc= 1.25 USER MOD Single : A 486 TYR OH : rot 180:sc= 0 USER MOD Single : A 492 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD Single : A 496 SER OG : rot -78:sc= 0.194 USER MOD Single : A 498 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.39) USER MOD Single : A 504 CYS SG : rot 70:sc= 0.598 USER MOD Single : A 514 CYS SG : rot 180:sc= 0 USER MOD Single : A 517 SER OG : rot 22:sc= 0.768 USER MOD Single : A 519 THR OG1 : rot -47:sc= 0.931 USER MOD Single : A 523 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 79 N ARG A 441 -1.762 13.536 -8.271 1.00 0.00 N ATOM 80 CA ARG A 441 -1.548 12.185 -8.822 1.00 0.00 C ATOM 81 C ARG A 441 -0.540 11.345 -8.018 1.00 0.00 C ATOM 82 O ARG A 441 -0.467 10.128 -8.196 1.00 0.00 O ATOM 83 CB ARG A 441 -1.101 12.239 -10.287 1.00 0.00 C ATOM 84 CG ARG A 441 -2.074 13.015 -11.189 1.00 0.00 C ATOM 85 CD ARG A 441 -1.929 12.644 -12.671 1.00 0.00 C ATOM 86 NE ARG A 441 -0.532 12.679 -13.137 1.00 0.00 N ATOM 87 CZ ARG A 441 0.146 13.729 -13.584 1.00 0.00 C ATOM 88 NH1 ARG A 441 -0.387 14.931 -13.659 1.00 0.00 N ATOM 89 NH2 ARG A 441 1.397 13.578 -13.964 1.00 0.00 N ATOM 0 HA ARG A 441 -2.518 11.694 -8.750 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -0.116 12.703 -10.343 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -0.997 11.222 -10.666 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -3.097 12.818 -10.868 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -1.902 14.084 -11.068 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.335 11.645 -12.832 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.525 13.331 -13.272 1.00 0.00 H new ATOM 0 HE ARG A 441 -0.027 11.793 -13.113 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -1.353 15.080 -13.368 1.00 0.00 H new ATOM 0 HH12 ARG A 441 0.166 15.713 -14.008 1.00 0.00 H new ATOM 0 HH21 ARG A 441 1.838 12.660 -13.914 1.00 0.00 H new ATOM 0 HH22 ARG A 441 1.926 14.379 -14.309 1.00 0.00 H new ATOM 103 N LYS A 442 0.243 11.976 -7.139 1.00 0.00 N ATOM 104 CA LYS A 442 1.096 11.305 -6.156 1.00 0.00 C ATOM 105 C LYS A 442 0.252 10.794 -4.967 1.00 0.00 C ATOM 106 O LYS A 442 -0.579 11.533 -4.441 1.00 0.00 O ATOM 107 CB LYS A 442 2.208 12.290 -5.745 1.00 0.00 C ATOM 108 CG LYS A 442 3.181 11.733 -4.692 1.00 0.00 C ATOM 109 CD LYS A 442 4.309 12.739 -4.421 1.00 0.00 C ATOM 110 CE LYS A 442 5.215 12.240 -3.288 1.00 0.00 C ATOM 111 NZ LYS A 442 6.277 13.222 -2.947 1.00 0.00 N ATOM 0 H LYS A 442 0.302 12.993 -7.090 1.00 0.00 H new ATOM 0 HA LYS A 442 1.568 10.418 -6.578 1.00 0.00 H new ATOM 0 HB2 LYS A 442 2.773 12.574 -6.633 1.00 0.00 H new ATOM 0 HB3 LYS A 442 1.748 13.198 -5.355 1.00 0.00 H new ATOM 0 HG2 LYS A 442 2.644 11.521 -3.767 1.00 0.00 H new ATOM 0 HG3 LYS A 442 3.602 10.790 -5.039 1.00 0.00 H new ATOM 0 HD2 LYS A 442 4.897 12.887 -5.327 1.00 0.00 H new ATOM 0 HD3 LYS A 442 3.884 13.707 -4.155 1.00 0.00 H new ATOM 0 HE2 LYS A 442 4.611 12.039 -2.403 1.00 0.00 H new ATOM 0 HE3 LYS A 442 5.675 11.296 -3.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 7.150 12.716 -2.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 6.456 13.838 -3.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 5.969 13.801 -2.140 1.00 0.00 H new ATOM 125 N VAL A 443 0.465 9.553 -4.523 1.00 0.00 N ATOM 126 CA VAL A 443 -0.248 8.947 -3.378 1.00 0.00 C ATOM 127 C VAL A 443 0.721 8.114 -2.539 1.00 0.00 C ATOM 128 O VAL A 443 1.275 7.133 -3.026 1.00 0.00 O ATOM 129 CB VAL A 443 -1.441 8.064 -3.833 1.00 0.00 C ATOM 130 CG1 VAL A 443 -2.223 7.520 -2.626 1.00 0.00 C ATOM 131 CG2 VAL A 443 -2.422 8.804 -4.755 1.00 0.00 C ATOM 0 H VAL A 443 1.146 8.925 -4.950 1.00 0.00 H new ATOM 0 HA VAL A 443 -0.651 9.762 -2.777 1.00 0.00 H new ATOM 0 HB VAL A 443 -0.995 7.244 -4.396 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -3.052 6.906 -2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -1.561 6.916 -2.006 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -2.611 8.352 -2.039 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -3.233 8.132 -5.038 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -2.832 9.668 -4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -1.898 9.137 -5.651 1.00 0.00 H new ATOM 141 N PHE A 444 0.912 8.485 -1.272 1.00 0.00 N ATOM 142 CA PHE A 444 1.664 7.690 -0.299 1.00 0.00 C ATOM 143 C PHE A 444 0.843 6.462 0.135 1.00 0.00 C ATOM 144 O PHE A 444 -0.361 6.569 0.378 1.00 0.00 O ATOM 145 CB PHE A 444 2.036 8.590 0.892 1.00 0.00 C ATOM 146 CG PHE A 444 2.630 7.888 2.106 1.00 0.00 C ATOM 147 CD1 PHE A 444 1.800 7.199 3.016 1.00 0.00 C ATOM 148 CD2 PHE A 444 4.013 7.954 2.357 1.00 0.00 C ATOM 149 CE1 PHE A 444 2.344 6.590 4.159 1.00 0.00 C ATOM 150 CE2 PHE A 444 4.557 7.355 3.507 1.00 0.00 C ATOM 151 CZ PHE A 444 3.724 6.669 4.407 1.00 0.00 C ATOM 0 H PHE A 444 0.545 9.356 -0.888 1.00 0.00 H new ATOM 0 HA PHE A 444 2.584 7.313 -0.746 1.00 0.00 H new ATOM 0 HB2 PHE A 444 2.749 9.338 0.546 1.00 0.00 H new ATOM 0 HB3 PHE A 444 1.141 9.125 1.210 1.00 0.00 H new ATOM 0 HD1 PHE A 444 0.737 7.139 2.832 1.00 0.00 H new ATOM 0 HD2 PHE A 444 4.661 8.468 1.662 1.00 0.00 H new ATOM 0 HE1 PHE A 444 1.701 6.061 4.847 1.00 0.00 H new ATOM 0 HE2 PHE A 444 5.618 7.422 3.699 1.00 0.00 H new ATOM 0 HZ PHE A 444 4.144 6.204 5.287 1.00 0.00 H new ATOM 161 N VAL A 445 1.510 5.313 0.269 1.00 0.00 N ATOM 162 CA VAL A 445 0.942 4.052 0.776 1.00 0.00 C ATOM 163 C VAL A 445 1.867 3.481 1.847 1.00 0.00 C ATOM 164 O VAL A 445 3.020 3.173 1.549 1.00 0.00 O ATOM 165 CB VAL A 445 0.741 3.015 -0.350 1.00 0.00 C ATOM 166 CG1 VAL A 445 0.157 1.693 0.181 1.00 0.00 C ATOM 167 CG2 VAL A 445 -0.190 3.576 -1.428 1.00 0.00 C ATOM 0 H VAL A 445 2.495 5.227 0.020 1.00 0.00 H new ATOM 0 HA VAL A 445 -0.039 4.268 1.199 1.00 0.00 H new ATOM 0 HB VAL A 445 1.724 2.809 -0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 445 0.032 0.993 -0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 445 0.836 1.266 0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.811 1.883 0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -0.323 2.834 -2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -1.158 3.813 -0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 445 0.247 4.481 -1.851 1.00 0.00 H new ATOM 177 N GLY A 446 1.361 3.344 3.077 1.00 0.00 N ATOM 178 CA GLY A 446 2.116 2.871 4.247 1.00 0.00 C ATOM 179 C GLY A 446 1.615 1.542 4.808 1.00 0.00 C ATOM 180 O GLY A 446 0.429 1.226 4.714 1.00 0.00 O ATOM 0 H GLY A 446 0.389 3.564 3.294 1.00 0.00 H new ATOM 0 HA2 GLY A 446 3.166 2.766 3.972 1.00 0.00 H new ATOM 0 HA3 GLY A 446 2.066 3.627 5.030 1.00 0.00 H new ATOM 184 N GLY A 447 2.519 0.772 5.423 1.00 0.00 N ATOM 185 CA GLY A 447 2.230 -0.544 6.019 1.00 0.00 C ATOM 186 C GLY A 447 2.411 -1.716 5.048 1.00 0.00 C ATOM 187 O GLY A 447 1.836 -2.782 5.270 1.00 0.00 O ATOM 0 H GLY A 447 3.495 1.050 5.524 1.00 0.00 H new ATOM 0 HA2 GLY A 447 2.882 -0.694 6.880 1.00 0.00 H new ATOM 0 HA3 GLY A 447 1.205 -0.547 6.391 1.00 0.00 H new ATOM 191 N LEU A 448 3.184 -1.523 3.970 1.00 0.00 N ATOM 192 CA LEU A 448 3.429 -2.522 2.923 1.00 0.00 C ATOM 193 C LEU A 448 4.035 -3.822 3.505 1.00 0.00 C ATOM 194 O LEU A 448 4.845 -3.736 4.436 1.00 0.00 O ATOM 195 CB LEU A 448 4.381 -1.929 1.863 1.00 0.00 C ATOM 196 CG LEU A 448 3.813 -0.764 1.027 1.00 0.00 C ATOM 197 CD1 LEU A 448 4.911 -0.238 0.095 1.00 0.00 C ATOM 198 CD2 LEU A 448 2.607 -1.188 0.176 1.00 0.00 C ATOM 0 H LEU A 448 3.669 -0.642 3.799 1.00 0.00 H new ATOM 0 HA LEU A 448 2.473 -2.778 2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 448 5.284 -1.584 2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 448 4.680 -2.727 1.183 1.00 0.00 H new ATOM 0 HG LEU A 448 3.478 0.007 1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 448 4.519 0.586 -0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 448 5.755 0.113 0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 448 5.241 -1.039 -0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 448 2.245 -0.332 -0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 448 2.907 -1.980 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 448 1.813 -1.553 0.827 1.00 0.00 H new ATOM 210 N PRO A 449 3.688 -5.012 2.964 1.00 0.00 N ATOM 211 CA PRO A 449 4.308 -6.277 3.356 1.00 0.00 C ATOM 212 C PRO A 449 5.842 -6.243 3.197 1.00 0.00 C ATOM 213 O PRO A 449 6.331 -5.624 2.250 1.00 0.00 O ATOM 214 CB PRO A 449 3.688 -7.345 2.449 1.00 0.00 C ATOM 215 CG PRO A 449 2.358 -6.745 2.009 1.00 0.00 C ATOM 216 CD PRO A 449 2.662 -5.250 1.953 1.00 0.00 C ATOM 0 HA PRO A 449 4.126 -6.485 4.410 1.00 0.00 H new ATOM 0 HB2 PRO A 449 4.329 -7.560 1.594 1.00 0.00 H new ATOM 0 HB3 PRO A 449 3.543 -8.284 2.983 1.00 0.00 H new ATOM 0 HG2 PRO A 449 2.042 -7.130 1.039 1.00 0.00 H new ATOM 0 HG3 PRO A 449 1.560 -6.969 2.717 1.00 0.00 H new ATOM 0 HD2 PRO A 449 3.014 -4.960 0.963 1.00 0.00 H new ATOM 0 HD3 PRO A 449 1.768 -4.662 2.158 1.00 0.00 H new ATOM 224 N PRO A 450 6.616 -6.915 4.073 1.00 0.00 N ATOM 225 CA PRO A 450 8.078 -6.972 3.996 1.00 0.00 C ATOM 226 C PRO A 450 8.600 -7.847 2.836 1.00 0.00 C ATOM 227 O PRO A 450 9.811 -7.978 2.663 1.00 0.00 O ATOM 228 CB PRO A 450 8.519 -7.516 5.361 1.00 0.00 C ATOM 229 CG PRO A 450 7.362 -8.431 5.753 1.00 0.00 C ATOM 230 CD PRO A 450 6.147 -7.670 5.227 1.00 0.00 C ATOM 0 HA PRO A 450 8.494 -5.987 3.783 1.00 0.00 H new ATOM 0 HB2 PRO A 450 9.460 -8.061 5.294 1.00 0.00 H new ATOM 0 HB3 PRO A 450 8.665 -6.716 6.087 1.00 0.00 H new ATOM 0 HG2 PRO A 450 7.452 -9.417 5.297 1.00 0.00 H new ATOM 0 HG3 PRO A 450 7.311 -8.582 6.831 1.00 0.00 H new ATOM 0 HD2 PRO A 450 5.348 -8.356 4.946 1.00 0.00 H new ATOM 0 HD3 PRO A 450 5.742 -7.005 5.990 1.00 0.00 H new ATOM 238 N ASP A 451 7.702 -8.435 2.040 1.00 0.00 N ATOM 239 CA ASP A 451 7.965 -9.403 0.969 1.00 0.00 C ATOM 240 C ASP A 451 7.298 -8.996 -0.367 1.00 0.00 C ATOM 241 O ASP A 451 7.123 -9.829 -1.258 1.00 0.00 O ATOM 242 CB ASP A 451 7.554 -10.812 1.452 1.00 0.00 C ATOM 243 CG ASP A 451 6.047 -11.005 1.702 1.00 0.00 C ATOM 244 OD1 ASP A 451 5.387 -10.088 2.242 1.00 0.00 O ATOM 245 OD2 ASP A 451 5.536 -12.112 1.403 1.00 0.00 O ATOM 0 H ASP A 451 6.706 -8.235 2.132 1.00 0.00 H new ATOM 0 HA ASP A 451 9.033 -9.416 0.751 1.00 0.00 H new ATOM 0 HB2 ASP A 451 7.880 -11.542 0.711 1.00 0.00 H new ATOM 0 HB3 ASP A 451 8.090 -11.033 2.375 1.00 0.00 H new ATOM 250 N ILE A 452 6.943 -7.711 -0.509 1.00 0.00 N ATOM 251 CA ILE A 452 6.389 -7.115 -1.740 1.00 0.00 C ATOM 252 C ILE A 452 7.455 -6.342 -2.535 1.00 0.00 C ATOM 253 O ILE A 452 8.441 -5.867 -1.971 1.00 0.00 O ATOM 254 CB ILE A 452 5.157 -6.241 -1.397 1.00 0.00 C ATOM 255 CG1 ILE A 452 4.214 -6.168 -2.615 1.00 0.00 C ATOM 256 CG2 ILE A 452 5.537 -4.826 -0.922 1.00 0.00 C ATOM 257 CD1 ILE A 452 2.821 -5.635 -2.288 1.00 0.00 C ATOM 0 H ILE A 452 7.035 -7.035 0.250 1.00 0.00 H new ATOM 0 HA ILE A 452 6.057 -7.921 -2.395 1.00 0.00 H new ATOM 0 HB ILE A 452 4.645 -6.719 -0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 452 4.667 -5.531 -3.375 1.00 0.00 H new ATOM 0 HG13 ILE A 452 4.119 -7.163 -3.049 1.00 0.00 H new ATOM 0 HG21 ILE A 452 4.632 -4.262 -0.697 1.00 0.00 H new ATOM 0 HG22 ILE A 452 6.153 -4.896 -0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 452 6.096 -4.317 -1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 452 2.217 -5.614 -3.195 1.00 0.00 H new ATOM 0 HD12 ILE A 452 2.347 -6.284 -1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 452 2.903 -4.626 -1.883 1.00 0.00 H new ATOM 269 N ASP A 453 7.245 -6.176 -3.842 1.00 0.00 N ATOM 270 CA ASP A 453 8.166 -5.508 -4.768 1.00 0.00 C ATOM 271 C ASP A 453 7.446 -4.533 -5.720 1.00 0.00 C ATOM 272 O ASP A 453 6.217 -4.497 -5.771 1.00 0.00 O ATOM 273 CB ASP A 453 8.984 -6.568 -5.526 1.00 0.00 C ATOM 274 CG ASP A 453 8.167 -7.350 -6.567 1.00 0.00 C ATOM 275 OD1 ASP A 453 7.838 -6.765 -7.625 1.00 0.00 O ATOM 276 OD2 ASP A 453 7.886 -8.548 -6.330 1.00 0.00 O ATOM 0 H ASP A 453 6.400 -6.514 -4.303 1.00 0.00 H new ATOM 0 HA ASP A 453 8.849 -4.888 -4.187 1.00 0.00 H new ATOM 0 HB2 ASP A 453 9.821 -6.080 -6.026 1.00 0.00 H new ATOM 0 HB3 ASP A 453 9.407 -7.270 -4.807 1.00 0.00 H new ATOM 281 N GLU A 454 8.218 -3.737 -6.465 1.00 0.00 N ATOM 282 CA GLU A 454 7.737 -2.639 -7.318 1.00 0.00 C ATOM 283 C GLU A 454 6.596 -3.048 -8.270 1.00 0.00 C ATOM 284 O GLU A 454 5.616 -2.313 -8.413 1.00 0.00 O ATOM 285 CB GLU A 454 8.913 -2.084 -8.145 1.00 0.00 C ATOM 286 CG GLU A 454 8.636 -0.684 -8.708 1.00 0.00 C ATOM 287 CD GLU A 454 9.738 -0.255 -9.688 1.00 0.00 C ATOM 288 OE1 GLU A 454 10.910 -0.118 -9.263 1.00 0.00 O ATOM 289 OE2 GLU A 454 9.439 -0.037 -10.885 1.00 0.00 O ATOM 0 H GLU A 454 9.232 -3.841 -6.494 1.00 0.00 H new ATOM 0 HA GLU A 454 7.330 -1.881 -6.649 1.00 0.00 H new ATOM 0 HB2 GLU A 454 9.806 -2.049 -7.521 1.00 0.00 H new ATOM 0 HB3 GLU A 454 9.126 -2.766 -8.968 1.00 0.00 H new ATOM 0 HG2 GLU A 454 7.671 -0.677 -9.215 1.00 0.00 H new ATOM 0 HG3 GLU A 454 8.572 0.034 -7.891 1.00 0.00 H new ATOM 296 N ASP A 455 6.686 -4.224 -8.899 1.00 0.00 N ATOM 297 CA ASP A 455 5.702 -4.697 -9.879 1.00 0.00 C ATOM 298 C ASP A 455 4.438 -5.256 -9.208 1.00 0.00 C ATOM 299 O ASP A 455 3.346 -5.153 -9.767 1.00 0.00 O ATOM 300 CB ASP A 455 6.357 -5.746 -10.789 1.00 0.00 C ATOM 301 CG ASP A 455 5.451 -6.144 -11.967 1.00 0.00 C ATOM 302 OD1 ASP A 455 5.211 -5.291 -12.854 1.00 0.00 O ATOM 303 OD2 ASP A 455 5.018 -7.319 -12.025 1.00 0.00 O ATOM 0 H ASP A 455 7.451 -4.881 -8.741 1.00 0.00 H new ATOM 0 HA ASP A 455 5.380 -3.847 -10.480 1.00 0.00 H new ATOM 0 HB2 ASP A 455 7.298 -5.353 -11.174 1.00 0.00 H new ATOM 0 HB3 ASP A 455 6.598 -6.633 -10.203 1.00 0.00 H new ATOM 308 N GLU A 456 4.566 -5.771 -7.982 1.00 0.00 N ATOM 309 CA GLU A 456 3.433 -6.173 -7.144 1.00 0.00 C ATOM 310 C GLU A 456 2.710 -4.955 -6.559 1.00 0.00 C ATOM 311 O GLU A 456 1.481 -4.939 -6.529 1.00 0.00 O ATOM 312 CB GLU A 456 3.890 -7.072 -5.993 1.00 0.00 C ATOM 313 CG GLU A 456 4.430 -8.434 -6.419 1.00 0.00 C ATOM 314 CD GLU A 456 3.327 -9.370 -6.941 1.00 0.00 C ATOM 315 OE1 GLU A 456 2.629 -10.006 -6.117 1.00 0.00 O ATOM 316 OE2 GLU A 456 3.165 -9.497 -8.178 1.00 0.00 O ATOM 0 H GLU A 456 5.472 -5.922 -7.538 1.00 0.00 H new ATOM 0 HA GLU A 456 2.747 -6.724 -7.787 1.00 0.00 H new ATOM 0 HB2 GLU A 456 4.663 -6.551 -5.429 1.00 0.00 H new ATOM 0 HB3 GLU A 456 3.050 -7.226 -5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 456 5.182 -8.296 -7.196 1.00 0.00 H new ATOM 0 HG3 GLU A 456 4.929 -8.904 -5.572 1.00 0.00 H new ATOM 323 N ILE A 457 3.436 -3.910 -6.143 1.00 0.00 N ATOM 324 CA ILE A 457 2.834 -2.635 -5.712 1.00 0.00 C ATOM 325 C ILE A 457 2.118 -1.977 -6.900 1.00 0.00 C ATOM 326 O ILE A 457 1.006 -1.476 -6.734 1.00 0.00 O ATOM 327 CB ILE A 457 3.887 -1.690 -5.079 1.00 0.00 C ATOM 328 CG1 ILE A 457 4.560 -2.309 -3.831 1.00 0.00 C ATOM 329 CG2 ILE A 457 3.226 -0.357 -4.668 1.00 0.00 C ATOM 330 CD1 ILE A 457 5.901 -1.646 -3.492 1.00 0.00 C ATOM 0 H ILE A 457 4.455 -3.921 -6.094 1.00 0.00 H new ATOM 0 HA ILE A 457 2.099 -2.840 -4.934 1.00 0.00 H new ATOM 0 HB ILE A 457 4.653 -1.523 -5.836 1.00 0.00 H new ATOM 0 HG12 ILE A 457 3.888 -2.217 -2.978 1.00 0.00 H new ATOM 0 HG13 ILE A 457 4.718 -3.374 -3.999 1.00 0.00 H new ATOM 0 HG21 ILE A 457 3.975 0.299 -4.224 1.00 0.00 H new ATOM 0 HG22 ILE A 457 2.798 0.123 -5.548 1.00 0.00 H new ATOM 0 HG23 ILE A 457 2.437 -0.551 -3.941 1.00 0.00 H new ATOM 0 HD11 ILE A 457 6.328 -2.120 -2.608 1.00 0.00 H new ATOM 0 HD12 ILE A 457 6.586 -1.761 -4.332 1.00 0.00 H new ATOM 0 HD13 ILE A 457 5.743 -0.586 -3.295 1.00 0.00 H new ATOM 342 N THR A 458 2.696 -2.051 -8.107 1.00 0.00 N ATOM 343 CA THR A 458 2.054 -1.575 -9.340 1.00 0.00 C ATOM 344 C THR A 458 0.790 -2.371 -9.623 1.00 0.00 C ATOM 345 O THR A 458 -0.266 -1.765 -9.761 1.00 0.00 O ATOM 346 CB THR A 458 3.024 -1.606 -10.531 1.00 0.00 C ATOM 347 OG1 THR A 458 4.176 -0.855 -10.227 1.00 0.00 O ATOM 348 CG2 THR A 458 2.412 -0.981 -11.787 1.00 0.00 C ATOM 0 H THR A 458 3.625 -2.444 -8.256 1.00 0.00 H new ATOM 0 HA THR A 458 1.770 -0.533 -9.193 1.00 0.00 H new ATOM 0 HB THR A 458 3.257 -2.655 -10.717 1.00 0.00 H new ATOM 0 HG1 THR A 458 4.722 -1.343 -9.576 1.00 0.00 H new ATOM 0 HG21 THR A 458 3.133 -1.025 -12.603 1.00 0.00 H new ATOM 0 HG22 THR A 458 1.514 -1.531 -12.066 1.00 0.00 H new ATOM 0 HG23 THR A 458 2.153 0.059 -11.587 1.00 0.00 H new ATOM 356 N ALA A 459 0.842 -3.703 -9.643 1.00 0.00 N ATOM 357 CA ALA A 459 -0.338 -4.543 -9.868 1.00 0.00 C ATOM 358 C ALA A 459 -1.418 -4.367 -8.780 1.00 0.00 C ATOM 359 O ALA A 459 -2.611 -4.441 -9.075 1.00 0.00 O ATOM 360 CB ALA A 459 0.118 -6.002 -9.978 1.00 0.00 C ATOM 0 H ALA A 459 1.703 -4.232 -9.504 1.00 0.00 H new ATOM 0 HA ALA A 459 -0.814 -4.230 -10.797 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -0.748 -6.642 -10.146 1.00 0.00 H new ATOM 0 HB2 ALA A 459 0.812 -6.104 -10.812 1.00 0.00 H new ATOM 0 HB3 ALA A 459 0.615 -6.299 -9.054 1.00 0.00 H new ATOM 366 N SER A 460 -1.020 -4.065 -7.543 1.00 0.00 N ATOM 367 CA SER A 460 -1.926 -3.785 -6.420 1.00 0.00 C ATOM 368 C SER A 460 -2.712 -2.472 -6.559 1.00 0.00 C ATOM 369 O SER A 460 -3.709 -2.300 -5.852 1.00 0.00 O ATOM 370 CB SER A 460 -1.159 -3.764 -5.090 1.00 0.00 C ATOM 371 OG SER A 460 -0.597 -5.030 -4.784 1.00 0.00 O ATOM 0 H SER A 460 -0.035 -4.006 -7.285 1.00 0.00 H new ATOM 0 HA SER A 460 -2.651 -4.598 -6.434 1.00 0.00 H new ATOM 0 HB2 SER A 460 -0.366 -3.017 -5.140 1.00 0.00 H new ATOM 0 HB3 SER A 460 -1.832 -3.462 -4.287 1.00 0.00 H new ATOM 0 HG SER A 460 0.136 -5.221 -5.405 1.00 0.00 H new ATOM 377 N PHE A 461 -2.324 -1.568 -7.470 1.00 0.00 N ATOM 378 CA PHE A 461 -3.035 -0.307 -7.722 1.00 0.00 C ATOM 379 C PHE A 461 -3.347 -0.063 -9.212 1.00 0.00 C ATOM 380 O PHE A 461 -4.082 0.869 -9.539 1.00 0.00 O ATOM 381 CB PHE A 461 -2.259 0.839 -7.057 1.00 0.00 C ATOM 382 CG PHE A 461 -2.329 0.826 -5.536 1.00 0.00 C ATOM 383 CD1 PHE A 461 -1.399 0.086 -4.783 1.00 0.00 C ATOM 384 CD2 PHE A 461 -3.319 1.570 -4.865 1.00 0.00 C ATOM 385 CE1 PHE A 461 -1.460 0.070 -3.378 1.00 0.00 C ATOM 386 CE2 PHE A 461 -3.365 1.577 -3.459 1.00 0.00 C ATOM 387 CZ PHE A 461 -2.447 0.817 -2.715 1.00 0.00 C ATOM 0 H PHE A 461 -1.500 -1.693 -8.058 1.00 0.00 H new ATOM 0 HA PHE A 461 -4.024 -0.365 -7.267 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -1.215 0.784 -7.364 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -2.649 1.789 -7.421 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -0.629 -0.477 -5.290 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -4.044 2.136 -5.431 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -0.750 -0.515 -2.811 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.110 2.170 -2.949 1.00 0.00 H new ATOM 0 HZ PHE A 461 -2.500 0.807 -1.636 1.00 0.00 H new ATOM 397 N ARG A 462 -2.905 -0.948 -10.119 1.00 0.00 N ATOM 398 CA ARG A 462 -3.223 -0.914 -11.556 1.00 0.00 C ATOM 399 C ARG A 462 -4.730 -1.037 -11.845 1.00 0.00 C ATOM 400 O ARG A 462 -5.195 -0.537 -12.873 1.00 0.00 O ATOM 401 CB ARG A 462 -2.406 -2.003 -12.285 1.00 0.00 C ATOM 402 CG ARG A 462 -2.573 -2.036 -13.814 1.00 0.00 C ATOM 403 CD ARG A 462 -2.160 -0.710 -14.469 1.00 0.00 C ATOM 404 NE ARG A 462 -2.469 -0.680 -15.908 1.00 0.00 N ATOM 405 CZ ARG A 462 -3.648 -0.415 -16.463 1.00 0.00 C ATOM 406 NH1 ARG A 462 -4.742 -0.218 -15.752 1.00 0.00 N ATOM 407 NH2 ARG A 462 -3.744 -0.345 -17.772 1.00 0.00 N ATOM 0 H ARG A 462 -2.300 -1.729 -9.866 1.00 0.00 H new ATOM 0 HA ARG A 462 -2.939 0.066 -11.940 1.00 0.00 H new ATOM 0 HB2 ARG A 462 -1.351 -1.858 -12.054 1.00 0.00 H new ATOM 0 HB3 ARG A 462 -2.689 -2.976 -11.884 1.00 0.00 H new ATOM 0 HG2 ARG A 462 -1.972 -2.846 -14.226 1.00 0.00 H new ATOM 0 HG3 ARG A 462 -3.612 -2.253 -14.060 1.00 0.00 H new ATOM 0 HD2 ARG A 462 -2.672 0.114 -13.972 1.00 0.00 H new ATOM 0 HD3 ARG A 462 -1.091 -0.553 -14.325 1.00 0.00 H new ATOM 0 HE ARG A 462 -1.699 -0.884 -16.545 1.00 0.00 H new ATOM 0 HH11 ARG A 462 -4.704 -0.266 -14.734 1.00 0.00 H new ATOM 0 HH12 ARG A 462 -5.626 -0.017 -16.221 1.00 0.00 H new ATOM 0 HH21 ARG A 462 -2.919 -0.493 -18.353 1.00 0.00 H new ATOM 0 HH22 ARG A 462 -4.644 -0.142 -18.207 1.00 0.00 H new ATOM 421 N ARG A 463 -5.496 -1.603 -10.903 1.00 0.00 N ATOM 422 CA ARG A 463 -6.970 -1.644 -10.870 1.00 0.00 C ATOM 423 C ARG A 463 -7.664 -0.262 -10.917 1.00 0.00 C ATOM 424 O ARG A 463 -8.869 -0.201 -11.165 1.00 0.00 O ATOM 425 CB ARG A 463 -7.442 -2.478 -9.655 1.00 0.00 C ATOM 426 CG ARG A 463 -6.803 -2.078 -8.308 1.00 0.00 C ATOM 427 CD ARG A 463 -7.383 -2.874 -7.128 1.00 0.00 C ATOM 428 NE ARG A 463 -6.473 -2.835 -5.968 1.00 0.00 N ATOM 429 CZ ARG A 463 -6.624 -3.430 -4.790 1.00 0.00 C ATOM 430 NH1 ARG A 463 -7.731 -4.053 -4.448 1.00 0.00 N ATOM 431 NH2 ARG A 463 -5.622 -3.401 -3.940 1.00 0.00 N ATOM 0 H ARG A 463 -5.084 -2.072 -10.097 1.00 0.00 H new ATOM 0 HA ARG A 463 -7.281 -2.127 -11.796 1.00 0.00 H new ATOM 0 HB2 ARG A 463 -8.525 -2.387 -9.569 1.00 0.00 H new ATOM 0 HB3 ARG A 463 -7.224 -3.529 -9.847 1.00 0.00 H new ATOM 0 HG2 ARG A 463 -5.726 -2.239 -8.357 1.00 0.00 H new ATOM 0 HG3 ARG A 463 -6.959 -1.013 -8.137 1.00 0.00 H new ATOM 0 HD2 ARG A 463 -8.353 -2.462 -6.848 1.00 0.00 H new ATOM 0 HD3 ARG A 463 -7.550 -3.908 -7.429 1.00 0.00 H new ATOM 0 HE ARG A 463 -5.623 -2.283 -6.085 1.00 0.00 H new ATOM 0 HH11 ARG A 463 -8.516 -4.092 -5.098 1.00 0.00 H new ATOM 0 HH12 ARG A 463 -7.804 -4.497 -3.533 1.00 0.00 H new ATOM 0 HH21 ARG A 463 -4.753 -2.929 -4.191 1.00 0.00 H new ATOM 0 HH22 ARG A 463 -5.713 -3.850 -3.029 1.00 0.00 H new ATOM 445 N PHE A 464 -6.920 0.838 -10.737 1.00 0.00 N ATOM 446 CA PHE A 464 -7.411 2.223 -10.807 1.00 0.00 C ATOM 447 C PHE A 464 -6.982 2.976 -12.081 1.00 0.00 C ATOM 448 O PHE A 464 -7.407 4.114 -12.288 1.00 0.00 O ATOM 449 CB PHE A 464 -6.930 2.948 -9.541 1.00 0.00 C ATOM 450 CG PHE A 464 -7.392 2.278 -8.260 1.00 0.00 C ATOM 451 CD1 PHE A 464 -8.767 2.098 -8.026 1.00 0.00 C ATOM 452 CD2 PHE A 464 -6.457 1.751 -7.350 1.00 0.00 C ATOM 453 CE1 PHE A 464 -9.205 1.385 -6.900 1.00 0.00 C ATOM 454 CE2 PHE A 464 -6.895 1.027 -6.227 1.00 0.00 C ATOM 455 CZ PHE A 464 -8.271 0.846 -5.999 1.00 0.00 C ATOM 0 H PHE A 464 -5.922 0.787 -10.531 1.00 0.00 H new ATOM 0 HA PHE A 464 -8.499 2.200 -10.860 1.00 0.00 H new ATOM 0 HB2 PHE A 464 -5.841 2.994 -9.548 1.00 0.00 H new ATOM 0 HB3 PHE A 464 -7.293 3.976 -9.558 1.00 0.00 H new ATOM 0 HD1 PHE A 464 -9.489 2.510 -8.716 1.00 0.00 H new ATOM 0 HD2 PHE A 464 -5.400 1.903 -7.514 1.00 0.00 H new ATOM 0 HE1 PHE A 464 -10.262 1.250 -6.725 1.00 0.00 H new ATOM 0 HE2 PHE A 464 -6.174 0.610 -5.539 1.00 0.00 H new ATOM 0 HZ PHE A 464 -8.609 0.294 -5.134 1.00 0.00 H new ATOM 465 N GLY A 465 -6.160 2.355 -12.935 1.00 0.00 N ATOM 466 CA GLY A 465 -5.498 2.972 -14.094 1.00 0.00 C ATOM 467 C GLY A 465 -3.967 2.853 -14.020 1.00 0.00 C ATOM 468 O GLY A 465 -3.443 2.398 -13.000 1.00 0.00 O ATOM 0 H GLY A 465 -5.927 1.367 -12.834 1.00 0.00 H new ATOM 0 HA2 GLY A 465 -5.854 2.497 -15.009 1.00 0.00 H new ATOM 0 HA3 GLY A 465 -5.777 4.024 -14.152 1.00 0.00 H new ATOM 472 N PRO A 466 -3.242 3.218 -15.094 1.00 0.00 N ATOM 473 CA PRO A 466 -1.790 3.065 -15.182 1.00 0.00 C ATOM 474 C PRO A 466 -1.045 4.054 -14.273 1.00 0.00 C ATOM 475 O PRO A 466 -1.517 5.162 -13.999 1.00 0.00 O ATOM 476 CB PRO A 466 -1.453 3.247 -16.665 1.00 0.00 C ATOM 477 CG PRO A 466 -2.571 4.148 -17.180 1.00 0.00 C ATOM 478 CD PRO A 466 -3.779 3.714 -16.354 1.00 0.00 C ATOM 0 HA PRO A 466 -1.466 2.087 -14.825 1.00 0.00 H new ATOM 0 HB2 PRO A 466 -0.474 3.706 -16.800 1.00 0.00 H new ATOM 0 HB3 PRO A 466 -1.433 2.293 -17.191 1.00 0.00 H new ATOM 0 HG2 PRO A 466 -2.339 5.203 -17.030 1.00 0.00 H new ATOM 0 HG3 PRO A 466 -2.742 4.007 -18.247 1.00 0.00 H new ATOM 0 HD2 PRO A 466 -4.459 4.549 -16.187 1.00 0.00 H new ATOM 0 HD3 PRO A 466 -4.347 2.939 -16.869 1.00 0.00 H new ATOM 486 N LEU A 467 0.135 3.628 -13.808 1.00 0.00 N ATOM 487 CA LEU A 467 0.932 4.289 -12.770 1.00 0.00 C ATOM 488 C LEU A 467 2.410 3.851 -12.788 1.00 0.00 C ATOM 489 O LEU A 467 2.775 2.895 -13.475 1.00 0.00 O ATOM 490 CB LEU A 467 0.292 4.039 -11.375 1.00 0.00 C ATOM 491 CG LEU A 467 0.463 2.623 -10.769 1.00 0.00 C ATOM 492 CD1 LEU A 467 0.250 2.682 -9.252 1.00 0.00 C ATOM 493 CD2 LEU A 467 -0.515 1.593 -11.349 1.00 0.00 C ATOM 0 H LEU A 467 0.578 2.779 -14.159 1.00 0.00 H new ATOM 0 HA LEU A 467 0.928 5.358 -12.982 1.00 0.00 H new ATOM 0 HB2 LEU A 467 0.712 4.761 -10.675 1.00 0.00 H new ATOM 0 HB3 LEU A 467 -0.775 4.250 -11.448 1.00 0.00 H new ATOM 0 HG LEU A 467 1.474 2.303 -11.020 1.00 0.00 H new ATOM 0 HD11 LEU A 467 0.371 1.685 -8.829 1.00 0.00 H new ATOM 0 HD12 LEU A 467 0.982 3.356 -8.808 1.00 0.00 H new ATOM 0 HD13 LEU A 467 -0.755 3.047 -9.040 1.00 0.00 H new ATOM 0 HD21 LEU A 467 -0.342 0.623 -10.882 1.00 0.00 H new ATOM 0 HD22 LEU A 467 -1.539 1.912 -11.153 1.00 0.00 H new ATOM 0 HD23 LEU A 467 -0.361 1.510 -12.425 1.00 0.00 H new ATOM 505 N VAL A 468 3.238 4.518 -11.981 1.00 0.00 N ATOM 506 CA VAL A 468 4.617 4.118 -11.639 1.00 0.00 C ATOM 507 C VAL A 468 4.818 4.228 -10.115 1.00 0.00 C ATOM 508 O VAL A 468 4.046 4.917 -9.449 1.00 0.00 O ATOM 509 CB VAL A 468 5.676 4.906 -12.459 1.00 0.00 C ATOM 510 CG1 VAL A 468 5.999 6.305 -11.941 1.00 0.00 C ATOM 511 CG2 VAL A 468 6.972 4.097 -12.600 1.00 0.00 C ATOM 0 H VAL A 468 2.961 5.388 -11.526 1.00 0.00 H new ATOM 0 HA VAL A 468 4.767 3.076 -11.921 1.00 0.00 H new ATOM 0 HB VAL A 468 5.206 5.054 -13.431 1.00 0.00 H new ATOM 0 HG11 VAL A 468 6.748 6.767 -12.584 1.00 0.00 H new ATOM 0 HG12 VAL A 468 5.094 6.912 -11.944 1.00 0.00 H new ATOM 0 HG13 VAL A 468 6.386 6.236 -10.924 1.00 0.00 H new ATOM 0 HG21 VAL A 468 7.697 4.670 -13.178 1.00 0.00 H new ATOM 0 HG22 VAL A 468 7.380 3.888 -11.611 1.00 0.00 H new ATOM 0 HG23 VAL A 468 6.761 3.158 -13.112 1.00 0.00 H new ATOM 521 N VAL A 469 5.818 3.536 -9.557 1.00 0.00 N ATOM 522 CA VAL A 469 6.034 3.399 -8.102 1.00 0.00 C ATOM 523 C VAL A 469 7.483 3.750 -7.732 1.00 0.00 C ATOM 524 O VAL A 469 8.422 3.352 -8.422 1.00 0.00 O ATOM 525 CB VAL A 469 5.676 1.968 -7.628 1.00 0.00 C ATOM 526 CG1 VAL A 469 5.879 1.787 -6.113 1.00 0.00 C ATOM 527 CG2 VAL A 469 4.213 1.620 -7.960 1.00 0.00 C ATOM 0 H VAL A 469 6.518 3.043 -10.112 1.00 0.00 H new ATOM 0 HA VAL A 469 5.375 4.101 -7.592 1.00 0.00 H new ATOM 0 HB VAL A 469 6.352 1.300 -8.161 1.00 0.00 H new ATOM 0 HG11 VAL A 469 5.615 0.768 -5.830 1.00 0.00 H new ATOM 0 HG12 VAL A 469 6.923 1.975 -5.861 1.00 0.00 H new ATOM 0 HG13 VAL A 469 5.243 2.490 -5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 469 3.992 0.610 -7.615 1.00 0.00 H new ATOM 0 HG22 VAL A 469 3.549 2.327 -7.462 1.00 0.00 H new ATOM 0 HG23 VAL A 469 4.061 1.677 -9.038 1.00 0.00 H new ATOM 537 N ASP A 470 7.652 4.494 -6.634 1.00 0.00 N ATOM 538 CA ASP A 470 8.921 5.052 -6.145 1.00 0.00 C ATOM 539 C ASP A 470 8.951 5.127 -4.600 1.00 0.00 C ATOM 540 O ASP A 470 7.910 5.046 -3.950 1.00 0.00 O ATOM 541 CB ASP A 470 9.101 6.442 -6.784 1.00 0.00 C ATOM 542 CG ASP A 470 10.445 7.101 -6.439 1.00 0.00 C ATOM 543 OD1 ASP A 470 11.499 6.496 -6.742 1.00 0.00 O ATOM 544 OD2 ASP A 470 10.437 8.222 -5.876 1.00 0.00 O ATOM 0 H ASP A 470 6.867 4.737 -6.029 1.00 0.00 H new ATOM 0 HA ASP A 470 9.748 4.402 -6.431 1.00 0.00 H new ATOM 0 HB2 ASP A 470 9.017 6.350 -7.867 1.00 0.00 H new ATOM 0 HB3 ASP A 470 8.291 7.093 -6.456 1.00 0.00 H new ATOM 786 N GLY A 485 8.951 0.164 4.382 1.00 0.00 N ATOM 787 CA GLY A 485 7.568 -0.260 4.679 1.00 0.00 C ATOM 788 C GLY A 485 6.492 0.640 4.056 1.00 0.00 C ATOM 789 O GLY A 485 5.317 0.521 4.401 1.00 0.00 O ATOM 0 HA2 GLY A 485 7.427 -1.280 4.320 1.00 0.00 H new ATOM 0 HA3 GLY A 485 7.429 -0.280 5.760 1.00 0.00 H new ATOM 793 N TYR A 486 6.876 1.529 3.137 1.00 0.00 N ATOM 794 CA TYR A 486 5.990 2.472 2.448 1.00 0.00 C ATOM 795 C TYR A 486 6.524 2.867 1.060 1.00 0.00 C ATOM 796 O TYR A 486 7.717 2.718 0.778 1.00 0.00 O ATOM 797 CB TYR A 486 5.721 3.705 3.335 1.00 0.00 C ATOM 798 CG TYR A 486 6.897 4.621 3.630 1.00 0.00 C ATOM 799 CD1 TYR A 486 7.344 5.544 2.662 1.00 0.00 C ATOM 800 CD2 TYR A 486 7.480 4.623 4.912 1.00 0.00 C ATOM 801 CE1 TYR A 486 8.366 6.459 2.971 1.00 0.00 C ATOM 802 CE2 TYR A 486 8.497 5.543 5.232 1.00 0.00 C ATOM 803 CZ TYR A 486 8.944 6.465 4.260 1.00 0.00 C ATOM 804 OH TYR A 486 9.916 7.370 4.567 1.00 0.00 O ATOM 0 H TYR A 486 7.848 1.616 2.841 1.00 0.00 H new ATOM 0 HA TYR A 486 5.040 1.967 2.273 1.00 0.00 H new ATOM 0 HB2 TYR A 486 4.941 4.300 2.859 1.00 0.00 H new ATOM 0 HB3 TYR A 486 5.319 3.355 4.286 1.00 0.00 H new ATOM 0 HD1 TYR A 486 6.899 5.548 1.678 1.00 0.00 H new ATOM 0 HD2 TYR A 486 7.145 3.914 5.655 1.00 0.00 H new ATOM 0 HE1 TYR A 486 8.709 7.158 2.222 1.00 0.00 H new ATOM 0 HE2 TYR A 486 8.935 5.544 6.219 1.00 0.00 H new ATOM 0 HH TYR A 486 10.204 7.238 5.494 1.00 0.00 H new ATOM 814 N ALA A 487 5.643 3.387 0.200 1.00 0.00 N ATOM 815 CA ALA A 487 5.963 3.830 -1.157 1.00 0.00 C ATOM 816 C ALA A 487 5.039 4.966 -1.619 1.00 0.00 C ATOM 817 O ALA A 487 3.976 5.202 -1.036 1.00 0.00 O ATOM 818 CB ALA A 487 5.887 2.621 -2.105 1.00 0.00 C ATOM 0 H ALA A 487 4.659 3.514 0.437 1.00 0.00 H new ATOM 0 HA ALA A 487 6.975 4.236 -1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 487 6.124 2.939 -3.120 1.00 0.00 H new ATOM 0 HB2 ALA A 487 6.603 1.863 -1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 487 4.881 2.203 -2.081 1.00 0.00 H new ATOM 824 N PHE A 488 5.447 5.636 -2.695 1.00 0.00 N ATOM 825 CA PHE A 488 4.693 6.658 -3.408 1.00 0.00 C ATOM 826 C PHE A 488 4.279 6.127 -4.786 1.00 0.00 C ATOM 827 O PHE A 488 5.118 5.827 -5.637 1.00 0.00 O ATOM 828 CB PHE A 488 5.550 7.923 -3.560 1.00 0.00 C ATOM 829 CG PHE A 488 5.900 8.616 -2.259 1.00 0.00 C ATOM 830 CD1 PHE A 488 4.949 9.436 -1.622 1.00 0.00 C ATOM 831 CD2 PHE A 488 7.184 8.470 -1.700 1.00 0.00 C ATOM 832 CE1 PHE A 488 5.293 10.129 -0.447 1.00 0.00 C ATOM 833 CE2 PHE A 488 7.520 9.150 -0.516 1.00 0.00 C ATOM 834 CZ PHE A 488 6.576 9.984 0.107 1.00 0.00 C ATOM 0 H PHE A 488 6.362 5.469 -3.113 1.00 0.00 H new ATOM 0 HA PHE A 488 3.795 6.908 -2.842 1.00 0.00 H new ATOM 0 HB2 PHE A 488 6.474 7.659 -4.074 1.00 0.00 H new ATOM 0 HB3 PHE A 488 5.020 8.629 -4.200 1.00 0.00 H new ATOM 0 HD1 PHE A 488 3.956 9.533 -2.035 1.00 0.00 H new ATOM 0 HD2 PHE A 488 7.912 7.834 -2.182 1.00 0.00 H new ATOM 0 HE1 PHE A 488 4.570 10.774 0.030 1.00 0.00 H new ATOM 0 HE2 PHE A 488 8.503 9.031 -0.085 1.00 0.00 H new ATOM 0 HZ PHE A 488 6.837 10.513 1.012 1.00 0.00 H new ATOM 844 N LEU A 489 2.968 6.038 -5.000 1.00 0.00 N ATOM 845 CA LEU A 489 2.347 5.785 -6.296 1.00 0.00 C ATOM 846 C LEU A 489 2.254 7.108 -7.057 1.00 0.00 C ATOM 847 O LEU A 489 1.908 8.130 -6.460 1.00 0.00 O ATOM 848 CB LEU A 489 0.922 5.233 -6.106 1.00 0.00 C ATOM 849 CG LEU A 489 0.744 4.086 -5.096 1.00 0.00 C ATOM 850 CD1 LEU A 489 -0.747 3.744 -5.035 1.00 0.00 C ATOM 851 CD2 LEU A 489 1.559 2.839 -5.449 1.00 0.00 C ATOM 0 H LEU A 489 2.286 6.144 -4.249 1.00 0.00 H new ATOM 0 HA LEU A 489 2.946 5.058 -6.845 1.00 0.00 H new ATOM 0 HB2 LEU A 489 0.278 6.057 -5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 489 0.560 4.890 -7.075 1.00 0.00 H new ATOM 0 HG LEU A 489 1.116 4.420 -4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 489 -0.905 2.932 -4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 489 -1.309 4.621 -4.714 1.00 0.00 H new ATOM 0 HD13 LEU A 489 -1.090 3.435 -6.022 1.00 0.00 H new ATOM 0 HD21 LEU A 489 1.389 2.068 -4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 489 1.251 2.467 -6.426 1.00 0.00 H new ATOM 0 HD23 LEU A 489 2.619 3.092 -5.475 1.00 0.00 H new ATOM 863 N LEU A 490 2.496 7.071 -8.363 1.00 0.00 N ATOM 864 CA LEU A 490 2.307 8.181 -9.296 1.00 0.00 C ATOM 865 C LEU A 490 1.390 7.696 -10.425 1.00 0.00 C ATOM 866 O LEU A 490 1.830 6.925 -11.282 1.00 0.00 O ATOM 867 CB LEU A 490 3.667 8.620 -9.873 1.00 0.00 C ATOM 868 CG LEU A 490 4.809 8.951 -8.897 1.00 0.00 C ATOM 869 CD1 LEU A 490 6.064 9.249 -9.732 1.00 0.00 C ATOM 870 CD2 LEU A 490 4.470 10.139 -7.989 1.00 0.00 C ATOM 0 H LEU A 490 2.845 6.230 -8.823 1.00 0.00 H new ATOM 0 HA LEU A 490 1.861 9.034 -8.786 1.00 0.00 H new ATOM 0 HB2 LEU A 490 4.017 7.828 -10.535 1.00 0.00 H new ATOM 0 HB3 LEU A 490 3.495 9.500 -10.492 1.00 0.00 H new ATOM 0 HG LEU A 490 4.975 8.100 -8.236 1.00 0.00 H new ATOM 0 HD11 LEU A 490 6.895 9.488 -9.068 1.00 0.00 H new ATOM 0 HD12 LEU A 490 6.319 8.375 -10.331 1.00 0.00 H new ATOM 0 HD13 LEU A 490 5.870 10.096 -10.390 1.00 0.00 H new ATOM 0 HD21 LEU A 490 5.306 10.334 -7.318 1.00 0.00 H new ATOM 0 HD22 LEU A 490 4.281 11.022 -8.600 1.00 0.00 H new ATOM 0 HD23 LEU A 490 3.581 9.907 -7.403 1.00 0.00 H new ATOM 882 N PHE A 491 0.124 8.115 -10.420 1.00 0.00 N ATOM 883 CA PHE A 491 -0.856 7.749 -11.450 1.00 0.00 C ATOM 884 C PHE A 491 -0.740 8.656 -12.686 1.00 0.00 C ATOM 885 O PHE A 491 -0.250 9.785 -12.606 1.00 0.00 O ATOM 886 CB PHE A 491 -2.271 7.778 -10.851 1.00 0.00 C ATOM 887 CG PHE A 491 -2.528 6.717 -9.791 1.00 0.00 C ATOM 888 CD1 PHE A 491 -2.252 6.988 -8.436 1.00 0.00 C ATOM 889 CD2 PHE A 491 -3.048 5.457 -10.151 1.00 0.00 C ATOM 890 CE1 PHE A 491 -2.509 6.021 -7.451 1.00 0.00 C ATOM 891 CE2 PHE A 491 -3.284 4.482 -9.166 1.00 0.00 C ATOM 892 CZ PHE A 491 -3.029 4.768 -7.815 1.00 0.00 C ATOM 0 H PHE A 491 -0.256 8.724 -9.695 1.00 0.00 H new ATOM 0 HA PHE A 491 -0.646 6.735 -11.790 1.00 0.00 H new ATOM 0 HB2 PHE A 491 -2.447 8.761 -10.414 1.00 0.00 H new ATOM 0 HB3 PHE A 491 -2.995 7.653 -11.656 1.00 0.00 H new ATOM 0 HD1 PHE A 491 -1.840 7.946 -8.153 1.00 0.00 H new ATOM 0 HD2 PHE A 491 -3.266 5.240 -11.186 1.00 0.00 H new ATOM 0 HE1 PHE A 491 -2.307 6.241 -6.413 1.00 0.00 H new ATOM 0 HE2 PHE A 491 -3.662 3.511 -9.449 1.00 0.00 H new ATOM 0 HZ PHE A 491 -3.232 4.026 -7.057 1.00 0.00 H new ATOM 902 N GLN A 492 -1.215 8.183 -13.842 1.00 0.00 N ATOM 903 CA GLN A 492 -1.215 8.966 -15.086 1.00 0.00 C ATOM 904 C GLN A 492 -2.419 9.924 -15.207 1.00 0.00 C ATOM 905 O GLN A 492 -2.378 10.840 -16.028 1.00 0.00 O ATOM 906 CB GLN A 492 -1.143 8.014 -16.287 1.00 0.00 C ATOM 907 CG GLN A 492 0.210 7.277 -16.362 1.00 0.00 C ATOM 908 CD GLN A 492 0.400 6.443 -17.635 1.00 0.00 C ATOM 909 OE1 GLN A 492 -0.372 6.482 -18.586 1.00 0.00 O ATOM 910 NE2 GLN A 492 1.452 5.651 -17.708 1.00 0.00 N ATOM 0 H GLN A 492 -1.610 7.248 -13.944 1.00 0.00 H new ATOM 0 HA GLN A 492 -0.333 9.606 -15.068 1.00 0.00 H new ATOM 0 HB2 GLN A 492 -1.950 7.284 -16.220 1.00 0.00 H new ATOM 0 HB3 GLN A 492 -1.300 8.578 -17.206 1.00 0.00 H new ATOM 0 HG2 GLN A 492 1.014 8.010 -16.297 1.00 0.00 H new ATOM 0 HG3 GLN A 492 0.304 6.623 -15.495 1.00 0.00 H new ATOM 0 HE21 GLN A 492 2.108 5.602 -16.929 1.00 0.00 H new ATOM 0 HE22 GLN A 492 1.609 5.088 -18.544 1.00 0.00 H new ATOM 919 N GLU A 493 -3.455 9.765 -14.375 1.00 0.00 N ATOM 920 CA GLU A 493 -4.647 10.624 -14.324 1.00 0.00 C ATOM 921 C GLU A 493 -5.099 10.837 -12.870 1.00 0.00 C ATOM 922 O GLU A 493 -5.066 9.910 -12.059 1.00 0.00 O ATOM 923 CB GLU A 493 -5.802 10.008 -15.138 1.00 0.00 C ATOM 924 CG GLU A 493 -5.516 9.930 -16.643 1.00 0.00 C ATOM 925 CD GLU A 493 -6.758 9.472 -17.422 1.00 0.00 C ATOM 926 OE1 GLU A 493 -7.564 10.337 -17.844 1.00 0.00 O ATOM 927 OE2 GLU A 493 -6.932 8.249 -17.635 1.00 0.00 O ATOM 0 H GLU A 493 -3.489 9.007 -13.693 1.00 0.00 H new ATOM 0 HA GLU A 493 -4.382 11.587 -14.760 1.00 0.00 H new ATOM 0 HB2 GLU A 493 -6.006 9.005 -14.763 1.00 0.00 H new ATOM 0 HB3 GLU A 493 -6.704 10.598 -14.978 1.00 0.00 H new ATOM 0 HG2 GLU A 493 -5.196 10.907 -17.006 1.00 0.00 H new ATOM 0 HG3 GLU A 493 -4.694 9.237 -16.824 1.00 0.00 H new ATOM 934 N GLU A 494 -5.552 12.051 -12.535 1.00 0.00 N ATOM 935 CA GLU A 494 -6.086 12.374 -11.199 1.00 0.00 C ATOM 936 C GLU A 494 -7.331 11.532 -10.875 1.00 0.00 C ATOM 937 O GLU A 494 -7.517 11.089 -9.741 1.00 0.00 O ATOM 938 CB GLU A 494 -6.432 13.870 -11.107 1.00 0.00 C ATOM 939 CG GLU A 494 -5.206 14.788 -11.208 1.00 0.00 C ATOM 940 CD GLU A 494 -5.616 16.268 -11.264 1.00 0.00 C ATOM 941 OE1 GLU A 494 -6.085 16.726 -12.333 1.00 0.00 O ATOM 942 OE2 GLU A 494 -5.450 16.989 -10.253 1.00 0.00 O ATOM 0 H GLU A 494 -5.560 12.841 -13.181 1.00 0.00 H new ATOM 0 HA GLU A 494 -5.313 12.137 -10.468 1.00 0.00 H new ATOM 0 HB2 GLU A 494 -7.132 14.123 -11.903 1.00 0.00 H new ATOM 0 HB3 GLU A 494 -6.942 14.060 -10.162 1.00 0.00 H new ATOM 0 HG2 GLU A 494 -4.554 14.622 -10.351 1.00 0.00 H new ATOM 0 HG3 GLU A 494 -4.632 14.534 -12.099 1.00 0.00 H new ATOM 949 N SER A 495 -8.143 11.211 -11.884 1.00 0.00 N ATOM 950 CA SER A 495 -9.320 10.344 -11.755 1.00 0.00 C ATOM 951 C SER A 495 -8.976 8.932 -11.247 1.00 0.00 C ATOM 952 O SER A 495 -9.809 8.292 -10.611 1.00 0.00 O ATOM 953 CB SER A 495 -10.046 10.243 -13.106 1.00 0.00 C ATOM 954 OG SER A 495 -10.273 11.523 -13.691 1.00 0.00 O ATOM 0 H SER A 495 -7.999 11.553 -12.834 1.00 0.00 H new ATOM 0 HA SER A 495 -9.968 10.803 -11.009 1.00 0.00 H new ATOM 0 HB2 SER A 495 -9.456 9.632 -13.789 1.00 0.00 H new ATOM 0 HB3 SER A 495 -11.000 9.734 -12.967 1.00 0.00 H new ATOM 0 HG SER A 495 -10.735 11.414 -14.548 1.00 0.00 H new ATOM 960 N SER A 496 -7.739 8.456 -11.433 1.00 0.00 N ATOM 961 CA SER A 496 -7.271 7.194 -10.845 1.00 0.00 C ATOM 962 C SER A 496 -7.091 7.303 -9.323 1.00 0.00 C ATOM 963 O SER A 496 -7.321 6.333 -8.603 1.00 0.00 O ATOM 964 CB SER A 496 -5.939 6.770 -11.475 1.00 0.00 C ATOM 965 OG SER A 496 -6.013 6.684 -12.893 1.00 0.00 O ATOM 0 H SER A 496 -7.034 8.934 -11.995 1.00 0.00 H new ATOM 0 HA SER A 496 -8.036 6.445 -11.051 1.00 0.00 H new ATOM 0 HB2 SER A 496 -5.165 7.485 -11.197 1.00 0.00 H new ATOM 0 HB3 SER A 496 -5.640 5.803 -11.070 1.00 0.00 H new ATOM 0 HG SER A 496 -6.455 5.847 -13.147 1.00 0.00 H new ATOM 971 N VAL A 497 -6.756 8.493 -8.808 1.00 0.00 N ATOM 972 CA VAL A 497 -6.666 8.742 -7.360 1.00 0.00 C ATOM 973 C VAL A 497 -8.069 8.854 -6.763 1.00 0.00 C ATOM 974 O VAL A 497 -8.304 8.356 -5.666 1.00 0.00 O ATOM 975 CB VAL A 497 -5.813 9.987 -7.025 1.00 0.00 C ATOM 976 CG1 VAL A 497 -5.690 10.197 -5.505 1.00 0.00 C ATOM 977 CG2 VAL A 497 -4.411 9.830 -7.635 1.00 0.00 C ATOM 0 H VAL A 497 -6.540 9.309 -9.380 1.00 0.00 H new ATOM 0 HA VAL A 497 -6.154 7.892 -6.909 1.00 0.00 H new ATOM 0 HB VAL A 497 -6.311 10.859 -7.448 1.00 0.00 H new ATOM 0 HG11 VAL A 497 -5.084 11.081 -5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 497 -6.682 10.334 -5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 497 -5.217 9.325 -5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 497 -3.811 10.708 -7.398 1.00 0.00 H new ATOM 0 HG22 VAL A 497 -3.932 8.942 -7.223 1.00 0.00 H new ATOM 0 HG23 VAL A 497 -4.494 9.729 -8.717 1.00 0.00 H new ATOM 987 N GLN A 498 -9.034 9.415 -7.498 1.00 0.00 N ATOM 988 CA GLN A 498 -10.431 9.422 -7.064 1.00 0.00 C ATOM 989 C GLN A 498 -11.053 8.018 -7.106 1.00 0.00 C ATOM 990 O GLN A 498 -11.796 7.667 -6.195 1.00 0.00 O ATOM 991 CB GLN A 498 -11.226 10.409 -7.928 1.00 0.00 C ATOM 992 CG GLN A 498 -12.619 10.722 -7.352 1.00 0.00 C ATOM 993 CD GLN A 498 -12.570 11.389 -5.973 1.00 0.00 C ATOM 994 OE1 GLN A 498 -11.663 12.147 -5.648 1.00 0.00 O ATOM 995 NE2 GLN A 498 -13.518 11.121 -5.100 1.00 0.00 N ATOM 0 H GLN A 498 -8.871 9.870 -8.396 1.00 0.00 H new ATOM 0 HA GLN A 498 -10.468 9.745 -6.024 1.00 0.00 H new ATOM 0 HB2 GLN A 498 -10.661 11.336 -8.024 1.00 0.00 H new ATOM 0 HB3 GLN A 498 -11.337 9.998 -8.931 1.00 0.00 H new ATOM 0 HG2 GLN A 498 -13.152 11.374 -8.044 1.00 0.00 H new ATOM 0 HG3 GLN A 498 -13.191 9.797 -7.280 1.00 0.00 H new ATOM 0 HE21 GLN A 498 -14.281 10.493 -5.352 1.00 0.00 H new ATOM 0 HE22 GLN A 498 -13.490 11.542 -4.171 1.00 0.00 H new ATOM 1004 N ALA A 499 -10.714 7.188 -8.101 1.00 0.00 N ATOM 1005 CA ALA A 499 -11.121 5.779 -8.144 1.00 0.00 C ATOM 1006 C ALA A 499 -10.554 4.974 -6.963 1.00 0.00 C ATOM 1007 O ALA A 499 -11.256 4.130 -6.402 1.00 0.00 O ATOM 1008 CB ALA A 499 -10.681 5.163 -9.477 1.00 0.00 C ATOM 0 H ALA A 499 -10.149 7.476 -8.900 1.00 0.00 H new ATOM 0 HA ALA A 499 -12.207 5.738 -8.060 1.00 0.00 H new ATOM 0 HB1 ALA A 499 -10.982 4.116 -9.511 1.00 0.00 H new ATOM 0 HB2 ALA A 499 -11.150 5.703 -10.300 1.00 0.00 H new ATOM 0 HB3 ALA A 499 -9.597 5.232 -9.569 1.00 0.00 H new ATOM 1014 N LEU A 500 -9.314 5.271 -6.552 1.00 0.00 N ATOM 1015 CA LEU A 500 -8.717 4.729 -5.333 1.00 0.00 C ATOM 1016 C LEU A 500 -9.489 5.198 -4.089 1.00 0.00 C ATOM 1017 O LEU A 500 -9.889 4.365 -3.280 1.00 0.00 O ATOM 1018 CB LEU A 500 -7.216 5.082 -5.313 1.00 0.00 C ATOM 1019 CG LEU A 500 -6.480 4.788 -3.992 1.00 0.00 C ATOM 1020 CD1 LEU A 500 -6.608 3.330 -3.544 1.00 0.00 C ATOM 1021 CD2 LEU A 500 -4.990 5.120 -4.161 1.00 0.00 C ATOM 0 H LEU A 500 -8.695 5.900 -7.064 1.00 0.00 H new ATOM 0 HA LEU A 500 -8.792 3.642 -5.319 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -6.721 4.532 -6.114 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -7.108 6.143 -5.540 1.00 0.00 H new ATOM 0 HG LEU A 500 -6.944 5.408 -3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -6.068 3.188 -2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -7.660 3.086 -3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -6.187 2.676 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -4.463 4.914 -3.229 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -4.569 4.508 -4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -4.879 6.174 -4.415 1.00 0.00 H new ATOM 1033 N ILE A 501 -9.768 6.498 -3.955 1.00 0.00 N ATOM 1034 CA ILE A 501 -10.563 7.066 -2.844 1.00 0.00 C ATOM 1035 C ILE A 501 -11.951 6.407 -2.747 1.00 0.00 C ATOM 1036 O ILE A 501 -12.392 6.062 -1.651 1.00 0.00 O ATOM 1037 CB ILE A 501 -10.659 8.608 -2.983 1.00 0.00 C ATOM 1038 CG1 ILE A 501 -9.278 9.265 -2.748 1.00 0.00 C ATOM 1039 CG2 ILE A 501 -11.684 9.205 -1.996 1.00 0.00 C ATOM 1040 CD1 ILE A 501 -9.165 10.707 -3.256 1.00 0.00 C ATOM 0 H ILE A 501 -9.447 7.201 -4.620 1.00 0.00 H new ATOM 0 HA ILE A 501 -10.050 6.847 -1.908 1.00 0.00 H new ATOM 0 HB ILE A 501 -10.994 8.818 -3.999 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -9.060 9.251 -1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -8.514 8.660 -3.237 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -11.724 10.287 -2.123 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -12.668 8.780 -2.193 1.00 0.00 H new ATOM 0 HG23 ILE A 501 -11.385 8.970 -0.974 1.00 0.00 H new ATOM 0 HD11 ILE A 501 -8.165 11.088 -3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 501 -9.348 10.730 -4.330 1.00 0.00 H new ATOM 0 HD13 ILE A 501 -9.902 11.330 -2.750 1.00 0.00 H new ATOM 1052 N ASP A 502 -12.616 6.170 -3.880 1.00 0.00 N ATOM 1053 CA ASP A 502 -13.930 5.516 -3.960 1.00 0.00 C ATOM 1054 C ASP A 502 -13.901 4.018 -3.578 1.00 0.00 C ATOM 1055 O ASP A 502 -14.940 3.453 -3.228 1.00 0.00 O ATOM 1056 CB ASP A 502 -14.491 5.724 -5.376 1.00 0.00 C ATOM 1057 CG ASP A 502 -15.941 5.233 -5.522 1.00 0.00 C ATOM 1058 OD1 ASP A 502 -16.847 5.848 -4.909 1.00 0.00 O ATOM 1059 OD2 ASP A 502 -16.177 4.261 -6.279 1.00 0.00 O ATOM 0 H ASP A 502 -12.248 6.434 -4.794 1.00 0.00 H new ATOM 0 HA ASP A 502 -14.583 5.980 -3.221 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -14.444 6.783 -5.628 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -13.860 5.198 -6.092 1.00 0.00 H new ATOM 1064 N ALA A 503 -12.720 3.387 -3.589 1.00 0.00 N ATOM 1065 CA ALA A 503 -12.500 2.004 -3.158 1.00 0.00 C ATOM 1066 C ALA A 503 -11.920 1.889 -1.734 1.00 0.00 C ATOM 1067 O ALA A 503 -11.951 0.803 -1.146 1.00 0.00 O ATOM 1068 CB ALA A 503 -11.584 1.330 -4.186 1.00 0.00 C ATOM 0 H ALA A 503 -11.865 3.841 -3.909 1.00 0.00 H new ATOM 0 HA ALA A 503 -13.465 1.500 -3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -11.403 0.297 -3.890 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -12.061 1.348 -5.166 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -10.636 1.865 -4.234 1.00 0.00 H new ATOM 1074 N CYS A 504 -11.412 2.986 -1.161 1.00 0.00 N ATOM 1075 CA CYS A 504 -10.824 3.009 0.177 1.00 0.00 C ATOM 1076 C CYS A 504 -11.868 2.889 1.301 1.00 0.00 C ATOM 1077 O CYS A 504 -12.972 3.439 1.231 1.00 0.00 O ATOM 1078 CB CYS A 504 -10.018 4.303 0.373 1.00 0.00 C ATOM 1079 SG CYS A 504 -8.430 4.229 -0.500 1.00 0.00 S ATOM 0 H CYS A 504 -11.399 3.895 -1.624 1.00 0.00 H new ATOM 0 HA CYS A 504 -10.175 2.136 0.244 1.00 0.00 H new ATOM 0 HB2 CYS A 504 -10.596 5.153 0.009 1.00 0.00 H new ATOM 0 HB3 CYS A 504 -9.844 4.468 1.436 1.00 0.00 H new ATOM 0 HG CYS A 504 -8.638 4.263 -1.783 1.00 0.00 H new ATOM 1085 N LEU A 505 -11.468 2.197 2.368 1.00 0.00 N ATOM 1086 CA LEU A 505 -12.130 2.194 3.673 1.00 0.00 C ATOM 1087 C LEU A 505 -11.660 3.441 4.441 1.00 0.00 C ATOM 1088 O LEU A 505 -10.733 4.130 4.008 1.00 0.00 O ATOM 1089 CB LEU A 505 -11.765 0.901 4.433 1.00 0.00 C ATOM 1090 CG LEU A 505 -12.254 -0.394 3.760 1.00 0.00 C ATOM 1091 CD1 LEU A 505 -11.667 -1.608 4.494 1.00 0.00 C ATOM 1092 CD2 LEU A 505 -13.787 -0.496 3.735 1.00 0.00 C ATOM 0 H LEU A 505 -10.641 1.600 2.346 1.00 0.00 H new ATOM 0 HA LEU A 505 -13.214 2.221 3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 505 -10.682 0.852 4.542 1.00 0.00 H new ATOM 0 HB3 LEU A 505 -12.184 0.954 5.438 1.00 0.00 H new ATOM 0 HG LEU A 505 -11.911 -0.376 2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 505 -12.014 -2.524 4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 505 -10.579 -1.567 4.453 1.00 0.00 H new ATOM 0 HD13 LEU A 505 -11.991 -1.596 5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 505 -14.082 -1.427 3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 505 -14.169 -0.481 4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 505 -14.199 0.348 3.181 1.00 0.00 H new ATOM 1104 N GLU A 506 -12.260 3.715 5.596 1.00 0.00 N ATOM 1105 CA GLU A 506 -11.924 4.878 6.424 1.00 0.00 C ATOM 1106 C GLU A 506 -11.979 4.523 7.917 1.00 0.00 C ATOM 1107 O GLU A 506 -12.980 3.995 8.404 1.00 0.00 O ATOM 1108 CB GLU A 506 -12.851 6.056 6.077 1.00 0.00 C ATOM 1109 CG GLU A 506 -12.388 7.369 6.722 1.00 0.00 C ATOM 1110 CD GLU A 506 -13.352 8.516 6.384 1.00 0.00 C ATOM 1111 OE1 GLU A 506 -14.390 8.659 7.073 1.00 0.00 O ATOM 1112 OE2 GLU A 506 -13.077 9.287 5.434 1.00 0.00 O ATOM 0 H GLU A 506 -13.000 3.134 5.990 1.00 0.00 H new ATOM 0 HA GLU A 506 -10.900 5.183 6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 506 -12.889 6.179 4.995 1.00 0.00 H new ATOM 0 HB3 GLU A 506 -13.864 5.828 6.408 1.00 0.00 H new ATOM 0 HG2 GLU A 506 -12.328 7.246 7.803 1.00 0.00 H new ATOM 0 HG3 GLU A 506 -11.385 7.616 6.373 1.00 0.00 H new ATOM 1175 N LEU A 511 -7.583 6.972 5.355 1.00 0.00 N ATOM 1176 CA LEU A 511 -8.029 6.005 4.344 1.00 0.00 C ATOM 1177 C LEU A 511 -7.172 4.734 4.356 1.00 0.00 C ATOM 1178 O LEU A 511 -5.981 4.775 4.668 1.00 0.00 O ATOM 1179 CB LEU A 511 -8.034 6.657 2.947 1.00 0.00 C ATOM 1180 CG LEU A 511 -9.024 7.824 2.750 1.00 0.00 C ATOM 1181 CD1 LEU A 511 -8.896 8.347 1.311 1.00 0.00 C ATOM 1182 CD2 LEU A 511 -10.481 7.419 3.020 1.00 0.00 C ATOM 0 HA LEU A 511 -9.047 5.706 4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 511 -7.028 7.019 2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 511 -8.259 5.887 2.209 1.00 0.00 H new ATOM 0 HG LEU A 511 -8.769 8.599 3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 511 -9.592 9.173 1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 511 -7.877 8.695 1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 511 -9.128 7.545 0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 511 -11.132 8.279 2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 511 -10.769 6.619 2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 511 -10.577 7.071 4.048 1.00 0.00 H new ATOM 1194 N TYR A 512 -7.773 3.606 3.973 1.00 0.00 N ATOM 1195 CA TYR A 512 -7.115 2.294 3.900 1.00 0.00 C ATOM 1196 C TYR A 512 -7.575 1.465 2.689 1.00 0.00 C ATOM 1197 O TYR A 512 -8.732 1.532 2.276 1.00 0.00 O ATOM 1198 CB TYR A 512 -7.349 1.497 5.196 1.00 0.00 C ATOM 1199 CG TYR A 512 -6.627 2.023 6.423 1.00 0.00 C ATOM 1200 CD1 TYR A 512 -7.212 3.028 7.219 1.00 0.00 C ATOM 1201 CD2 TYR A 512 -5.376 1.483 6.785 1.00 0.00 C ATOM 1202 CE1 TYR A 512 -6.549 3.499 8.368 1.00 0.00 C ATOM 1203 CE2 TYR A 512 -4.713 1.943 7.938 1.00 0.00 C ATOM 1204 CZ TYR A 512 -5.302 2.947 8.737 1.00 0.00 C ATOM 1205 OH TYR A 512 -4.665 3.381 9.860 1.00 0.00 O ATOM 0 H TYR A 512 -8.755 3.576 3.698 1.00 0.00 H new ATOM 0 HA TYR A 512 -6.050 2.488 3.777 1.00 0.00 H new ATOM 0 HB2 TYR A 512 -8.419 1.480 5.404 1.00 0.00 H new ATOM 0 HB3 TYR A 512 -7.041 0.465 5.029 1.00 0.00 H new ATOM 0 HD1 TYR A 512 -8.173 3.439 6.946 1.00 0.00 H new ATOM 0 HD2 TYR A 512 -4.925 0.714 6.176 1.00 0.00 H new ATOM 0 HE1 TYR A 512 -6.993 4.281 8.966 1.00 0.00 H new ATOM 0 HE2 TYR A 512 -3.754 1.528 8.212 1.00 0.00 H new ATOM 0 HH TYR A 512 -3.955 2.749 10.099 1.00 0.00 H new ATOM 1215 N LEU A 513 -6.676 0.633 2.162 1.00 0.00 N ATOM 1216 CA LEU A 513 -6.935 -0.375 1.127 1.00 0.00 C ATOM 1217 C LEU A 513 -6.315 -1.714 1.563 1.00 0.00 C ATOM 1218 O LEU A 513 -5.568 -1.747 2.544 1.00 0.00 O ATOM 1219 CB LEU A 513 -6.347 0.132 -0.209 1.00 0.00 C ATOM 1220 CG LEU A 513 -7.076 -0.410 -1.452 1.00 0.00 C ATOM 1221 CD1 LEU A 513 -8.376 0.375 -1.685 1.00 0.00 C ATOM 1222 CD2 LEU A 513 -6.189 -0.295 -2.693 1.00 0.00 C ATOM 0 H LEU A 513 -5.700 0.642 2.458 1.00 0.00 H new ATOM 0 HA LEU A 513 -8.004 -0.536 0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -6.385 1.221 -0.222 1.00 0.00 H new ATOM 0 HB3 LEU A 513 -5.296 -0.151 -0.263 1.00 0.00 H new ATOM 0 HG LEU A 513 -7.308 -1.461 -1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -8.884 -0.016 -2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -9.025 0.270 -0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 513 -8.142 1.429 -1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -6.724 -0.684 -3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -5.935 0.751 -2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -5.276 -0.871 -2.542 1.00 0.00 H new ATOM 1234 N CYS A 514 -6.590 -2.811 0.850 1.00 0.00 N ATOM 1235 CA CYS A 514 -6.049 -4.145 1.146 1.00 0.00 C ATOM 1236 C CYS A 514 -5.167 -4.687 0.003 1.00 0.00 C ATOM 1237 O CYS A 514 -5.472 -4.479 -1.176 1.00 0.00 O ATOM 1238 CB CYS A 514 -7.207 -5.098 1.484 1.00 0.00 C ATOM 1239 SG CYS A 514 -7.960 -4.603 3.063 1.00 0.00 S ATOM 0 H CYS A 514 -7.205 -2.798 0.037 1.00 0.00 H new ATOM 0 HA CYS A 514 -5.391 -4.069 2.012 1.00 0.00 H new ATOM 0 HB2 CYS A 514 -7.954 -5.076 0.690 1.00 0.00 H new ATOM 0 HB3 CYS A 514 -6.841 -6.123 1.549 1.00 0.00 H new ATOM 0 HG CYS A 514 -8.941 -5.408 3.347 1.00 0.00 H new ATOM 1245 N VAL A 515 -4.092 -5.393 0.369 1.00 0.00 N ATOM 1246 CA VAL A 515 -3.069 -5.984 -0.527 1.00 0.00 C ATOM 1247 C VAL A 515 -2.534 -7.311 0.048 1.00 0.00 C ATOM 1248 O VAL A 515 -2.870 -7.678 1.172 1.00 0.00 O ATOM 1249 CB VAL A 515 -1.907 -4.995 -0.820 1.00 0.00 C ATOM 1250 CG1 VAL A 515 -2.385 -3.728 -1.548 1.00 0.00 C ATOM 1251 CG2 VAL A 515 -1.137 -4.577 0.444 1.00 0.00 C ATOM 0 H VAL A 515 -3.893 -5.583 1.351 1.00 0.00 H new ATOM 0 HA VAL A 515 -3.557 -6.195 -1.478 1.00 0.00 H new ATOM 0 HB VAL A 515 -1.231 -5.551 -1.470 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -1.535 -3.070 -1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -2.839 -4.005 -2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -3.120 -3.210 -0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 515 -0.339 -3.886 0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -1.818 -4.088 1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -0.707 -5.460 0.917 1.00 0.00 H new ATOM 1261 N SER A 516 -1.710 -8.046 -0.704 1.00 0.00 N ATOM 1262 CA SER A 516 -1.165 -9.367 -0.325 1.00 0.00 C ATOM 1263 C SER A 516 0.223 -9.630 -0.948 1.00 0.00 C ATOM 1264 O SER A 516 0.660 -8.923 -1.857 1.00 0.00 O ATOM 1265 CB SER A 516 -2.124 -10.489 -0.761 1.00 0.00 C ATOM 1266 OG SER A 516 -3.324 -10.530 0.003 1.00 0.00 O ATOM 0 H SER A 516 -1.390 -7.736 -1.621 1.00 0.00 H new ATOM 0 HA SER A 516 -1.058 -9.360 0.760 1.00 0.00 H new ATOM 0 HB2 SER A 516 -2.375 -10.355 -1.813 1.00 0.00 H new ATOM 0 HB3 SER A 516 -1.613 -11.448 -0.675 1.00 0.00 H new ATOM 0 HG SER A 516 -4.077 -10.243 -0.555 1.00 0.00 H new ATOM 1272 N SER A 517 0.927 -10.661 -0.471 1.00 0.00 N ATOM 1273 CA SER A 517 2.275 -11.102 -0.881 1.00 0.00 C ATOM 1274 C SER A 517 2.532 -12.566 -0.433 1.00 0.00 C ATOM 1275 O SER A 517 1.735 -13.094 0.351 1.00 0.00 O ATOM 1276 CB SER A 517 3.313 -10.127 -0.299 1.00 0.00 C ATOM 1277 OG SER A 517 3.287 -8.907 -1.015 1.00 0.00 O ATOM 0 H SER A 517 0.547 -11.256 0.265 1.00 0.00 H new ATOM 0 HA SER A 517 2.359 -11.090 -1.968 1.00 0.00 H new ATOM 0 HB2 SER A 517 3.101 -9.944 0.755 1.00 0.00 H new ATOM 0 HB3 SER A 517 4.308 -10.568 -0.352 1.00 0.00 H new ATOM 0 HG SER A 517 2.423 -8.812 -1.468 1.00 0.00 H new ATOM 1283 N PRO A 518 3.592 -13.259 -0.916 1.00 0.00 N ATOM 1284 CA PRO A 518 3.792 -14.706 -0.735 1.00 0.00 C ATOM 1285 C PRO A 518 3.718 -15.270 0.694 1.00 0.00 C ATOM 1286 O PRO A 518 3.444 -16.463 0.843 1.00 0.00 O ATOM 1287 CB PRO A 518 5.156 -15.010 -1.357 1.00 0.00 C ATOM 1288 CG PRO A 518 5.244 -13.989 -2.486 1.00 0.00 C ATOM 1289 CD PRO A 518 4.575 -12.762 -1.870 1.00 0.00 C ATOM 0 HA PRO A 518 2.948 -15.204 -1.212 1.00 0.00 H new ATOM 0 HB2 PRO A 518 5.965 -14.889 -0.637 1.00 0.00 H new ATOM 0 HB3 PRO A 518 5.212 -16.033 -1.730 1.00 0.00 H new ATOM 0 HG2 PRO A 518 6.276 -13.788 -2.773 1.00 0.00 H new ATOM 0 HG3 PRO A 518 4.724 -14.328 -3.382 1.00 0.00 H new ATOM 0 HD2 PRO A 518 5.310 -12.128 -1.374 1.00 0.00 H new ATOM 0 HD3 PRO A 518 4.097 -12.155 -2.638 1.00 0.00 H new ATOM 1297 N THR A 519 3.924 -14.445 1.731 1.00 0.00 N ATOM 1298 CA THR A 519 3.839 -14.838 3.152 1.00 0.00 C ATOM 1299 C THR A 519 2.837 -14.012 3.966 1.00 0.00 C ATOM 1300 O THR A 519 2.689 -14.240 5.166 1.00 0.00 O ATOM 1301 CB THR A 519 5.227 -14.816 3.807 1.00 0.00 C ATOM 1302 OG1 THR A 519 5.767 -13.513 3.801 1.00 0.00 O ATOM 1303 CG2 THR A 519 6.215 -15.753 3.109 1.00 0.00 C ATOM 0 H THR A 519 4.160 -13.461 1.605 1.00 0.00 H new ATOM 0 HA THR A 519 3.455 -15.858 3.157 1.00 0.00 H new ATOM 0 HB THR A 519 5.083 -15.159 4.832 1.00 0.00 H new ATOM 0 HG1 THR A 519 5.666 -13.121 2.909 1.00 0.00 H new ATOM 0 HG21 THR A 519 7.182 -15.701 3.610 1.00 0.00 H new ATOM 0 HG22 THR A 519 5.839 -16.775 3.151 1.00 0.00 H new ATOM 0 HG23 THR A 519 6.329 -15.451 2.068 1.00 0.00 H new ATOM 1311 N ILE A 520 2.126 -13.076 3.330 1.00 0.00 N ATOM 1312 CA ILE A 520 1.272 -12.057 3.968 1.00 0.00 C ATOM 1313 C ILE A 520 -0.038 -11.884 3.184 1.00 0.00 C ATOM 1314 O ILE A 520 -0.035 -11.461 2.030 1.00 0.00 O ATOM 1315 CB ILE A 520 2.062 -10.726 4.064 1.00 0.00 C ATOM 1316 CG1 ILE A 520 3.304 -10.814 4.980 1.00 0.00 C ATOM 1317 CG2 ILE A 520 1.170 -9.550 4.501 1.00 0.00 C ATOM 1318 CD1 ILE A 520 3.029 -10.995 6.480 1.00 0.00 C ATOM 0 H ILE A 520 2.127 -13.000 2.313 1.00 0.00 H new ATOM 0 HA ILE A 520 1.002 -12.377 4.975 1.00 0.00 H new ATOM 0 HB ILE A 520 2.417 -10.538 3.051 1.00 0.00 H new ATOM 0 HG12 ILE A 520 3.921 -11.647 4.642 1.00 0.00 H new ATOM 0 HG13 ILE A 520 3.893 -9.907 4.847 1.00 0.00 H new ATOM 0 HG21 ILE A 520 1.768 -8.640 4.554 1.00 0.00 H new ATOM 0 HG22 ILE A 520 0.366 -9.415 3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 520 0.744 -9.762 5.482 1.00 0.00 H new ATOM 0 HD11 ILE A 520 3.975 -11.043 7.020 1.00 0.00 H new ATOM 0 HD12 ILE A 520 2.444 -10.152 6.847 1.00 0.00 H new ATOM 0 HD13 ILE A 520 2.473 -11.919 6.639 1.00 0.00 H new ATOM 1330 N LYS A 521 -1.175 -12.178 3.818 1.00 0.00 N ATOM 1331 CA LYS A 521 -2.504 -12.173 3.186 1.00 0.00 C ATOM 1332 C LYS A 521 -3.466 -11.153 3.816 1.00 0.00 C ATOM 1333 O LYS A 521 -3.530 -11.023 5.041 1.00 0.00 O ATOM 1334 CB LYS A 521 -3.090 -13.598 3.257 1.00 0.00 C ATOM 1335 CG LYS A 521 -2.525 -14.578 2.210 1.00 0.00 C ATOM 1336 CD LYS A 521 -2.757 -14.163 0.745 1.00 0.00 C ATOM 1337 CE LYS A 521 -4.242 -13.914 0.427 1.00 0.00 C ATOM 1338 NZ LYS A 521 -4.424 -13.217 -0.871 1.00 0.00 N ATOM 0 H LYS A 521 -1.202 -12.432 4.805 1.00 0.00 H new ATOM 0 HA LYS A 521 -2.384 -11.864 2.148 1.00 0.00 H new ATOM 0 HB2 LYS A 521 -2.905 -14.003 4.252 1.00 0.00 H new ATOM 0 HB3 LYS A 521 -4.171 -13.538 3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 521 -1.453 -14.687 2.376 1.00 0.00 H new ATOM 0 HG3 LYS A 521 -2.974 -15.558 2.371 1.00 0.00 H new ATOM 0 HD2 LYS A 521 -2.188 -13.258 0.533 1.00 0.00 H new ATOM 0 HD3 LYS A 521 -2.374 -14.942 0.086 1.00 0.00 H new ATOM 0 HE2 LYS A 521 -4.772 -14.866 0.405 1.00 0.00 H new ATOM 0 HE3 LYS A 521 -4.688 -13.319 1.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 521 -5.424 -13.263 -1.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 521 -4.137 -12.222 -0.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 521 -3.838 -13.677 -1.597 1.00 0.00 H new ATOM 1352 N ASP A 522 -4.219 -10.449 2.959 1.00 0.00 N ATOM 1353 CA ASP A 522 -5.305 -9.505 3.341 1.00 0.00 C ATOM 1354 C ASP A 522 -4.789 -8.331 4.208 1.00 0.00 C ATOM 1355 O ASP A 522 -5.495 -7.797 5.064 1.00 0.00 O ATOM 1356 CB ASP A 522 -6.477 -10.270 3.994 1.00 0.00 C ATOM 1357 CG ASP A 522 -7.079 -11.322 3.050 1.00 0.00 C ATOM 1358 OD1 ASP A 522 -7.811 -10.932 2.108 1.00 0.00 O ATOM 1359 OD2 ASP A 522 -6.830 -12.534 3.256 1.00 0.00 O ATOM 0 H ASP A 522 -4.094 -10.515 1.949 1.00 0.00 H new ATOM 0 HA ASP A 522 -5.686 -9.040 2.431 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -6.128 -10.758 4.904 1.00 0.00 H new ATOM 0 HB3 ASP A 522 -7.252 -9.562 4.288 1.00 0.00 H new ATOM 1364 N LYS A 523 -3.533 -7.929 3.988 1.00 0.00 N ATOM 1365 CA LYS A 523 -2.871 -6.834 4.699 1.00 0.00 C ATOM 1366 C LYS A 523 -3.571 -5.486 4.416 1.00 0.00 C ATOM 1367 O LYS A 523 -3.691 -5.125 3.236 1.00 0.00 O ATOM 1368 CB LYS A 523 -1.401 -6.792 4.245 1.00 0.00 C ATOM 1369 CG LYS A 523 -0.535 -5.781 5.015 1.00 0.00 C ATOM 1370 CD LYS A 523 -0.085 -6.303 6.386 1.00 0.00 C ATOM 1371 CE LYS A 523 0.875 -5.291 7.023 1.00 0.00 C ATOM 1372 NZ LYS A 523 1.291 -5.698 8.391 1.00 0.00 N ATOM 0 H LYS A 523 -2.933 -8.370 3.290 1.00 0.00 H new ATOM 0 HA LYS A 523 -2.927 -7.003 5.774 1.00 0.00 H new ATOM 0 HB2 LYS A 523 -0.968 -7.786 4.359 1.00 0.00 H new ATOM 0 HB3 LYS A 523 -1.367 -6.549 3.183 1.00 0.00 H new ATOM 0 HG2 LYS A 523 0.344 -5.535 4.419 1.00 0.00 H new ATOM 0 HG3 LYS A 523 -1.097 -4.857 5.150 1.00 0.00 H new ATOM 0 HD2 LYS A 523 -0.950 -6.457 7.031 1.00 0.00 H new ATOM 0 HD3 LYS A 523 0.407 -7.269 6.276 1.00 0.00 H new ATOM 0 HE2 LYS A 523 1.758 -5.184 6.393 1.00 0.00 H new ATOM 0 HE3 LYS A 523 0.394 -4.314 7.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 523 1.939 -4.985 8.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 523 0.452 -5.775 9.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 523 1.774 -6.618 8.348 1.00 0.00 H new ATOM 1386 N PRO A 524 -3.982 -4.725 5.452 1.00 0.00 N ATOM 1387 CA PRO A 524 -4.482 -3.370 5.296 1.00 0.00 C ATOM 1388 C PRO A 524 -3.295 -2.410 5.170 1.00 0.00 C ATOM 1389 O PRO A 524 -2.304 -2.532 5.891 1.00 0.00 O ATOM 1390 CB PRO A 524 -5.314 -3.096 6.551 1.00 0.00 C ATOM 1391 CG PRO A 524 -4.627 -3.936 7.629 1.00 0.00 C ATOM 1392 CD PRO A 524 -3.955 -5.082 6.864 1.00 0.00 C ATOM 0 HA PRO A 524 -5.091 -3.236 4.402 1.00 0.00 H new ATOM 0 HB2 PRO A 524 -5.315 -2.037 6.808 1.00 0.00 H new ATOM 0 HB3 PRO A 524 -6.354 -3.392 6.415 1.00 0.00 H new ATOM 0 HG2 PRO A 524 -3.895 -3.347 8.183 1.00 0.00 H new ATOM 0 HG3 PRO A 524 -5.347 -4.314 8.355 1.00 0.00 H new ATOM 0 HD2 PRO A 524 -2.930 -5.225 7.206 1.00 0.00 H new ATOM 0 HD3 PRO A 524 -4.482 -6.021 7.035 1.00 0.00 H new ATOM 1400 N VAL A 525 -3.405 -1.449 4.256 1.00 0.00 N ATOM 1401 CA VAL A 525 -2.375 -0.442 3.961 1.00 0.00 C ATOM 1402 C VAL A 525 -3.000 0.951 3.944 1.00 0.00 C ATOM 1403 O VAL A 525 -4.068 1.148 3.369 1.00 0.00 O ATOM 1404 CB VAL A 525 -1.616 -0.747 2.646 1.00 0.00 C ATOM 1405 CG1 VAL A 525 -0.674 -1.942 2.855 1.00 0.00 C ATOM 1406 CG2 VAL A 525 -2.522 -1.019 1.427 1.00 0.00 C ATOM 0 H VAL A 525 -4.239 -1.342 3.678 1.00 0.00 H new ATOM 0 HA VAL A 525 -1.629 -0.479 4.755 1.00 0.00 H new ATOM 0 HB VAL A 525 -1.060 0.161 2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -0.142 -2.153 1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 525 0.045 -1.706 3.640 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -1.255 -2.817 3.147 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -1.904 -1.223 0.553 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -3.157 -1.881 1.631 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -3.146 -0.146 1.235 1.00 0.00 H new ATOM 1416 N GLN A 526 -2.364 1.899 4.632 1.00 0.00 N ATOM 1417 CA GLN A 526 -2.879 3.251 4.842 1.00 0.00 C ATOM 1418 C GLN A 526 -2.599 4.112 3.608 1.00 0.00 C ATOM 1419 O GLN A 526 -1.470 4.153 3.126 1.00 0.00 O ATOM 1420 CB GLN A 526 -2.232 3.858 6.097 1.00 0.00 C ATOM 1421 CG GLN A 526 -3.004 5.095 6.586 1.00 0.00 C ATOM 1422 CD GLN A 526 -2.328 5.742 7.792 1.00 0.00 C ATOM 1423 OE1 GLN A 526 -1.661 6.761 7.686 1.00 0.00 O ATOM 1424 NE2 GLN A 526 -2.451 5.187 8.979 1.00 0.00 N ATOM 0 H GLN A 526 -1.455 1.744 5.069 1.00 0.00 H new ATOM 0 HA GLN A 526 -3.958 3.214 4.992 1.00 0.00 H new ATOM 0 HB2 GLN A 526 -2.201 3.110 6.890 1.00 0.00 H new ATOM 0 HB3 GLN A 526 -1.200 4.134 5.879 1.00 0.00 H new ATOM 0 HG2 GLN A 526 -3.077 5.822 5.777 1.00 0.00 H new ATOM 0 HG3 GLN A 526 -4.022 4.808 6.850 1.00 0.00 H new ATOM 0 HE21 GLN A 526 -3.003 4.336 9.090 1.00 0.00 H new ATOM 0 HE22 GLN A 526 -1.994 5.607 9.788 1.00 0.00 H new ATOM 1433 N ILE A 527 -3.618 4.808 3.103 1.00 0.00 N ATOM 1434 CA ILE A 527 -3.580 5.558 1.840 1.00 0.00 C ATOM 1435 C ILE A 527 -3.639 7.061 2.140 1.00 0.00 C ATOM 1436 O ILE A 527 -4.486 7.515 2.914 1.00 0.00 O ATOM 1437 CB ILE A 527 -4.753 5.117 0.929 1.00 0.00 C ATOM 1438 CG1 ILE A 527 -4.888 3.585 0.773 1.00 0.00 C ATOM 1439 CG2 ILE A 527 -4.653 5.762 -0.465 1.00 0.00 C ATOM 1440 CD1 ILE A 527 -3.654 2.864 0.219 1.00 0.00 C ATOM 0 H ILE A 527 -4.521 4.869 3.573 1.00 0.00 H new ATOM 0 HA ILE A 527 -2.650 5.349 1.311 1.00 0.00 H new ATOM 0 HB ILE A 527 -5.650 5.468 1.440 1.00 0.00 H new ATOM 0 HG12 ILE A 527 -5.129 3.159 1.747 1.00 0.00 H new ATOM 0 HG13 ILE A 527 -5.733 3.378 0.116 1.00 0.00 H new ATOM 0 HG21 ILE A 527 -5.491 5.432 -1.079 1.00 0.00 H new ATOM 0 HG22 ILE A 527 -4.680 6.847 -0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 527 -3.717 5.464 -0.937 1.00 0.00 H new ATOM 0 HD11 ILE A 527 -3.857 1.795 0.151 1.00 0.00 H new ATOM 0 HD12 ILE A 527 -3.420 3.253 -0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 527 -2.806 3.030 0.884 1.00 0.00 H new ATOM 1452 N ARG A 528 -2.745 7.835 1.518 1.00 0.00 N ATOM 1453 CA ARG A 528 -2.583 9.276 1.738 1.00 0.00 C ATOM 1454 C ARG A 528 -2.375 10.000 0.392 1.00 0.00 C ATOM 1455 O ARG A 528 -1.229 10.105 -0.063 1.00 0.00 O ATOM 1456 CB ARG A 528 -1.383 9.510 2.674 1.00 0.00 C ATOM 1457 CG ARG A 528 -1.567 9.084 4.138 1.00 0.00 C ATOM 1458 CD ARG A 528 -0.311 9.490 4.923 1.00 0.00 C ATOM 1459 NE ARG A 528 -0.200 8.787 6.210 1.00 0.00 N ATOM 1460 CZ ARG A 528 0.845 8.810 7.028 1.00 0.00 C ATOM 1461 NH1 ARG A 528 1.920 9.532 6.789 1.00 0.00 N ATOM 1462 NH2 ARG A 528 0.803 8.081 8.119 1.00 0.00 N ATOM 0 H ARG A 528 -2.094 7.465 0.826 1.00 0.00 H new ATOM 0 HA ARG A 528 -3.483 9.680 2.202 1.00 0.00 H new ATOM 0 HB2 ARG A 528 -0.524 8.976 2.268 1.00 0.00 H new ATOM 0 HB3 ARG A 528 -1.137 10.572 2.655 1.00 0.00 H new ATOM 0 HG2 ARG A 528 -2.450 9.560 4.563 1.00 0.00 H new ATOM 0 HG3 ARG A 528 -1.723 8.007 4.203 1.00 0.00 H new ATOM 0 HD2 ARG A 528 0.573 9.281 4.321 1.00 0.00 H new ATOM 0 HD3 ARG A 528 -0.329 10.565 5.100 1.00 0.00 H new ATOM 0 HE ARG A 528 -1.002 8.229 6.502 1.00 0.00 H new ATOM 0 HH11 ARG A 528 1.973 10.104 5.946 1.00 0.00 H new ATOM 0 HH12 ARG A 528 2.700 9.519 7.446 1.00 0.00 H new ATOM 0 HH21 ARG A 528 -0.020 7.514 8.322 1.00 0.00 H new ATOM 0 HH22 ARG A 528 1.594 8.082 8.764 1.00 0.00 H new ATOM 1476 N PRO A 529 -3.450 10.488 -0.260 1.00 0.00 N ATOM 1477 CA PRO A 529 -3.355 11.331 -1.450 1.00 0.00 C ATOM 1478 C PRO A 529 -2.552 12.603 -1.150 1.00 0.00 C ATOM 1479 O PRO A 529 -2.773 13.251 -0.125 1.00 0.00 O ATOM 1480 CB PRO A 529 -4.800 11.645 -1.860 1.00 0.00 C ATOM 1481 CG PRO A 529 -5.598 10.487 -1.262 1.00 0.00 C ATOM 1482 CD PRO A 529 -4.847 10.206 0.038 1.00 0.00 C ATOM 0 HA PRO A 529 -2.827 10.831 -2.262 1.00 0.00 H new ATOM 0 HB2 PRO A 529 -5.130 12.606 -1.465 1.00 0.00 H new ATOM 0 HB3 PRO A 529 -4.909 11.691 -2.944 1.00 0.00 H new ATOM 0 HG2 PRO A 529 -6.637 10.761 -1.079 1.00 0.00 H new ATOM 0 HG3 PRO A 529 -5.609 9.619 -1.921 1.00 0.00 H new ATOM 0 HD2 PRO A 529 -5.212 10.837 0.848 1.00 0.00 H new ATOM 0 HD3 PRO A 529 -4.981 9.172 0.355 1.00 0.00 H new ATOM 1490 N TRP A 530 -1.599 12.946 -2.019 1.00 0.00 N ATOM 1491 CA TRP A 530 -0.638 14.027 -1.777 1.00 0.00 C ATOM 1492 C TRP A 530 -1.239 15.429 -1.973 1.00 0.00 C ATOM 1493 O TRP A 530 -2.061 15.658 -2.865 1.00 0.00 O ATOM 1494 CB TRP A 530 0.578 13.813 -2.683 1.00 0.00 C ATOM 1495 CG TRP A 530 1.719 14.763 -2.496 1.00 0.00 C ATOM 1496 CD1 TRP A 530 1.905 15.911 -3.186 1.00 0.00 C ATOM 1497 CD2 TRP A 530 2.857 14.659 -1.584 1.00 0.00 C ATOM 1498 NE1 TRP A 530 3.069 16.524 -2.769 1.00 0.00 N ATOM 1499 CE2 TRP A 530 3.702 15.794 -1.786 1.00 0.00 C ATOM 1500 CE3 TRP A 530 3.273 13.714 -0.621 1.00 0.00 C ATOM 1501 CZ2 TRP A 530 4.896 15.978 -1.074 1.00 0.00 C ATOM 1502 CZ3 TRP A 530 4.469 13.891 0.103 1.00 0.00 C ATOM 1503 CH2 TRP A 530 5.280 15.019 -0.121 1.00 0.00 C ATOM 0 H TRP A 530 -1.471 12.479 -2.917 1.00 0.00 H new ATOM 0 HA TRP A 530 -0.339 13.986 -0.730 1.00 0.00 H new ATOM 0 HB2 TRP A 530 0.947 12.800 -2.526 1.00 0.00 H new ATOM 0 HB3 TRP A 530 0.247 13.875 -3.720 1.00 0.00 H new ATOM 0 HD1 TRP A 530 1.242 16.291 -3.949 1.00 0.00 H new ATOM 0 HE1 TRP A 530 3.417 17.407 -3.142 1.00 0.00 H new ATOM 0 HE3 TRP A 530 2.665 12.841 -0.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 530 5.513 16.846 -1.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 530 4.766 13.155 0.836 1.00 0.00 H new ATOM 0 HH2 TRP A 530 6.195 15.147 0.438 1.00 0.00 H new