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 512 TYR OH : rot 150:sc= 0.206 USER MOD Set 1.2: A 526 GLN : amide:sc= 0.22 X(o=0.43,f=0.58) USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 THR OG1 : rot 71:sc= 1.22 USER MOD Single : A 460 SER OG : rot 67:sc= 1.25 USER MOD Single : A 486 TYR OH : rot 180:sc= 0 USER MOD Single : A 492 GLN : amide:sc= -0.0473 X(o=-0.047,f=-0.047) USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD Single : A 496 SER OG : rot -72:sc= 0.259 USER MOD Single : A 498 GLN : amide:sc= 0.452 X(o=0.45,f=-0.014) USER MOD Single : A 504 CYS SG : rot 73:sc= 0.61 USER MOD Single : A 514 CYS SG : rot 31:sc= 0.109 USER MOD Single : A 516 SER OG : rot 180:sc= 0.528 USER MOD Single : A 517 SER OG : rot 180:sc= -0.0624 USER MOD Single : A 519 THR OG1 : rot 180:sc= 0 USER MOD Single : A 521 LYS NZ :NH3+ -173:sc= 1.05 (180deg=1.01) USER MOD Single : A 523 LYS NZ :NH3+ -166:sc= 0.442 (180deg=0.348) USER MOD ----------------------------------------------------------------- ATOM 79 N ARG A 441 -1.414 13.790 -8.150 1.00 0.00 N ATOM 80 CA ARG A 441 -1.501 12.380 -8.563 1.00 0.00 C ATOM 81 C ARG A 441 -0.585 11.454 -7.744 1.00 0.00 C ATOM 82 O ARG A 441 -0.642 10.232 -7.894 1.00 0.00 O ATOM 83 CB ARG A 441 -1.193 12.222 -10.059 1.00 0.00 C ATOM 84 CG ARG A 441 -2.125 13.058 -10.953 1.00 0.00 C ATOM 85 CD ARG A 441 -2.061 12.628 -12.424 1.00 0.00 C ATOM 86 NE ARG A 441 -0.686 12.622 -12.952 1.00 0.00 N ATOM 87 CZ ARG A 441 -0.025 13.632 -13.506 1.00 0.00 C ATOM 88 NH1 ARG A 441 -0.559 14.829 -13.645 1.00 0.00 N ATOM 89 NH2 ARG A 441 1.206 13.447 -13.929 1.00 0.00 N ATOM 0 HA ARG A 441 -2.529 12.075 -8.369 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -0.160 12.515 -10.245 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -1.280 11.171 -10.334 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -3.150 12.964 -10.594 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -1.854 14.111 -10.872 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.490 11.631 -12.527 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.674 13.302 -13.023 1.00 0.00 H new ATOM 0 HE ARG A 441 -0.182 11.738 -12.884 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -1.511 15.004 -13.322 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -0.021 15.581 -14.076 1.00 0.00 H new ATOM 0 HH21 ARG A 441 1.647 12.533 -13.831 1.00 0.00 H new ATOM 0 HH22 ARG A 441 1.720 14.218 -14.356 1.00 0.00 H new ATOM 103 N LYS A 442 0.271 12.014 -6.881 1.00 0.00 N ATOM 104 CA LYS A 442 1.043 11.261 -5.891 1.00 0.00 C ATOM 105 C LYS A 442 0.126 10.735 -4.764 1.00 0.00 C ATOM 106 O LYS A 442 -0.743 11.462 -4.285 1.00 0.00 O ATOM 107 CB LYS A 442 2.190 12.156 -5.379 1.00 0.00 C ATOM 108 CG LYS A 442 3.074 11.471 -4.319 1.00 0.00 C ATOM 109 CD LYS A 442 4.224 12.364 -3.827 1.00 0.00 C ATOM 110 CE LYS A 442 5.277 12.618 -4.916 1.00 0.00 C ATOM 111 NZ LYS A 442 6.396 13.456 -4.409 1.00 0.00 N ATOM 0 H LYS A 442 0.448 13.018 -6.852 1.00 0.00 H new ATOM 0 HA LYS A 442 1.486 10.374 -6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 442 2.812 12.454 -6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 442 1.768 13.068 -4.956 1.00 0.00 H new ATOM 0 HG2 LYS A 442 2.455 11.184 -3.469 1.00 0.00 H new ATOM 0 HG3 LYS A 442 3.487 10.553 -4.737 1.00 0.00 H new ATOM 0 HD2 LYS A 442 3.820 13.318 -3.487 1.00 0.00 H new ATOM 0 HD3 LYS A 442 4.701 11.895 -2.966 1.00 0.00 H new ATOM 0 HE2 LYS A 442 5.668 11.666 -5.274 1.00 0.00 H new ATOM 0 HE3 LYS A 442 4.809 13.111 -5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 7.088 13.608 -5.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 6.025 14.374 -4.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 6.858 12.973 -3.612 1.00 0.00 H new ATOM 125 N VAL A 443 0.332 9.494 -4.316 1.00 0.00 N ATOM 126 CA VAL A 443 -0.393 8.881 -3.184 1.00 0.00 C ATOM 127 C VAL A 443 0.577 8.053 -2.337 1.00 0.00 C ATOM 128 O VAL A 443 1.167 7.097 -2.831 1.00 0.00 O ATOM 129 CB VAL A 443 -1.572 7.992 -3.660 1.00 0.00 C ATOM 130 CG1 VAL A 443 -2.349 7.414 -2.465 1.00 0.00 C ATOM 131 CG2 VAL A 443 -2.560 8.742 -4.570 1.00 0.00 C ATOM 0 H VAL A 443 1.021 8.868 -4.734 1.00 0.00 H new ATOM 0 HA VAL A 443 -0.814 9.688 -2.584 1.00 0.00 H new ATOM 0 HB VAL A 443 -1.117 7.188 -4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -3.169 6.795 -2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -1.680 6.807 -1.855 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -2.749 8.229 -1.863 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -3.362 8.068 -4.870 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -2.982 9.589 -4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -2.037 9.101 -5.456 1.00 0.00 H new ATOM 141 N PHE A 444 0.732 8.406 -1.060 1.00 0.00 N ATOM 142 CA PHE A 444 1.490 7.621 -0.082 1.00 0.00 C ATOM 143 C PHE A 444 0.726 6.337 0.289 1.00 0.00 C ATOM 144 O PHE A 444 -0.490 6.375 0.496 1.00 0.00 O ATOM 145 CB PHE A 444 1.754 8.493 1.157 1.00 0.00 C ATOM 146 CG PHE A 444 2.328 7.760 2.360 1.00 0.00 C ATOM 147 CD1 PHE A 444 1.479 7.089 3.267 1.00 0.00 C ATOM 148 CD2 PHE A 444 3.718 7.747 2.580 1.00 0.00 C ATOM 149 CE1 PHE A 444 2.014 6.419 4.380 1.00 0.00 C ATOM 150 CE2 PHE A 444 4.253 7.085 3.700 1.00 0.00 C ATOM 151 CZ PHE A 444 3.403 6.417 4.599 1.00 0.00 C ATOM 0 H PHE A 444 0.329 9.258 -0.669 1.00 0.00 H new ATOM 0 HA PHE A 444 2.444 7.316 -0.512 1.00 0.00 H new ATOM 0 HB2 PHE A 444 2.441 9.292 0.878 1.00 0.00 H new ATOM 0 HB3 PHE A 444 0.818 8.966 1.454 1.00 0.00 H new ATOM 0 HD1 PHE A 444 0.411 7.091 3.104 1.00 0.00 H new ATOM 0 HD2 PHE A 444 4.377 8.247 1.886 1.00 0.00 H new ATOM 0 HE1 PHE A 444 1.358 5.905 5.068 1.00 0.00 H new ATOM 0 HE2 PHE A 444 5.320 7.090 3.870 1.00 0.00 H new ATOM 0 HZ PHE A 444 3.816 5.904 5.455 1.00 0.00 H new ATOM 161 N VAL A 445 1.452 5.224 0.422 1.00 0.00 N ATOM 162 CA VAL A 445 0.940 3.925 0.886 1.00 0.00 C ATOM 163 C VAL A 445 1.871 3.367 1.960 1.00 0.00 C ATOM 164 O VAL A 445 3.045 3.128 1.682 1.00 0.00 O ATOM 165 CB VAL A 445 0.800 2.907 -0.265 1.00 0.00 C ATOM 166 CG1 VAL A 445 0.255 1.552 0.223 1.00 0.00 C ATOM 167 CG2 VAL A 445 -0.127 3.450 -1.355 1.00 0.00 C ATOM 0 H VAL A 445 2.448 5.198 0.203 1.00 0.00 H new ATOM 0 HA VAL A 445 -0.056 4.089 1.297 1.00 0.00 H new ATOM 0 HB VAL A 445 1.801 2.752 -0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 445 0.173 0.867 -0.621 1.00 0.00 H new ATOM 0 HG12 VAL A 445 0.934 1.133 0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.729 1.695 0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -0.213 2.718 -2.158 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -1.113 3.642 -0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 445 0.284 4.378 -1.753 1.00 0.00 H new ATOM 177 N GLY A 446 1.345 3.160 3.170 1.00 0.00 N ATOM 178 CA GLY A 446 2.082 2.656 4.337 1.00 0.00 C ATOM 179 C GLY A 446 1.569 1.309 4.845 1.00 0.00 C ATOM 180 O GLY A 446 0.372 1.030 4.781 1.00 0.00 O ATOM 0 H GLY A 446 0.363 3.344 3.373 1.00 0.00 H new ATOM 0 HA2 GLY A 446 3.136 2.560 4.078 1.00 0.00 H new ATOM 0 HA3 GLY A 446 2.017 3.388 5.142 1.00 0.00 H new ATOM 184 N GLY A 447 2.471 0.485 5.385 1.00 0.00 N ATOM 185 CA GLY A 447 2.165 -0.843 5.944 1.00 0.00 C ATOM 186 C GLY A 447 2.304 -1.992 4.941 1.00 0.00 C ATOM 187 O GLY A 447 1.733 -3.061 5.166 1.00 0.00 O ATOM 0 H GLY A 447 3.460 0.725 5.449 1.00 0.00 H new ATOM 0 HA2 GLY A 447 2.827 -1.031 6.789 1.00 0.00 H new ATOM 0 HA3 GLY A 447 1.147 -0.836 6.333 1.00 0.00 H new ATOM 191 N LEU A 448 3.031 -1.781 3.836 1.00 0.00 N ATOM 192 CA LEU A 448 3.297 -2.774 2.785 1.00 0.00 C ATOM 193 C LEU A 448 3.931 -4.057 3.375 1.00 0.00 C ATOM 194 O LEU A 448 4.775 -3.940 4.274 1.00 0.00 O ATOM 195 CB LEU A 448 4.241 -2.146 1.738 1.00 0.00 C ATOM 196 CG LEU A 448 3.634 -0.999 0.902 1.00 0.00 C ATOM 197 CD1 LEU A 448 4.733 -0.363 0.043 1.00 0.00 C ATOM 198 CD2 LEU A 448 2.509 -1.492 -0.022 1.00 0.00 C ATOM 0 H LEU A 448 3.467 -0.880 3.641 1.00 0.00 H new ATOM 0 HA LEU A 448 2.355 -3.058 2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 448 5.126 -1.770 2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 448 4.576 -2.930 1.059 1.00 0.00 H new ATOM 0 HG LEU A 448 3.211 -0.273 1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 448 4.309 0.448 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 448 5.517 0.032 0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 448 5.156 -1.116 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 448 2.111 -0.652 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 448 2.904 -2.241 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 448 1.713 -1.934 0.578 1.00 0.00 H new ATOM 210 N PRO A 449 3.569 -5.264 2.885 1.00 0.00 N ATOM 211 CA PRO A 449 4.193 -6.526 3.293 1.00 0.00 C ATOM 212 C PRO A 449 5.730 -6.504 3.159 1.00 0.00 C ATOM 213 O PRO A 449 6.245 -5.844 2.255 1.00 0.00 O ATOM 214 CB PRO A 449 3.572 -7.602 2.394 1.00 0.00 C ATOM 215 CG PRO A 449 2.198 -7.029 2.055 1.00 0.00 C ATOM 216 CD PRO A 449 2.480 -5.533 1.948 1.00 0.00 C ATOM 0 HA PRO A 449 4.009 -6.719 4.350 1.00 0.00 H new ATOM 0 HB2 PRO A 449 4.169 -7.771 1.498 1.00 0.00 H new ATOM 0 HB3 PRO A 449 3.492 -8.559 2.909 1.00 0.00 H new ATOM 0 HG2 PRO A 449 1.808 -7.436 1.122 1.00 0.00 H new ATOM 0 HG3 PRO A 449 1.464 -7.249 2.830 1.00 0.00 H new ATOM 0 HD2 PRO A 449 2.763 -5.260 0.931 1.00 0.00 H new ATOM 0 HD3 PRO A 449 1.595 -4.949 2.200 1.00 0.00 H new ATOM 224 N PRO A 450 6.476 -7.234 4.013 1.00 0.00 N ATOM 225 CA PRO A 450 7.941 -7.175 4.087 1.00 0.00 C ATOM 226 C PRO A 450 8.669 -7.885 2.925 1.00 0.00 C ATOM 227 O PRO A 450 9.894 -7.994 2.950 1.00 0.00 O ATOM 228 CB PRO A 450 8.283 -7.795 5.448 1.00 0.00 C ATOM 229 CG PRO A 450 7.176 -8.828 5.640 1.00 0.00 C ATOM 230 CD PRO A 450 5.961 -8.117 5.051 1.00 0.00 C ATOM 0 HA PRO A 450 8.287 -6.146 3.991 1.00 0.00 H new ATOM 0 HB2 PRO A 450 9.270 -8.257 5.445 1.00 0.00 H new ATOM 0 HB3 PRO A 450 8.282 -7.050 6.243 1.00 0.00 H new ATOM 0 HG2 PRO A 450 7.394 -9.760 5.118 1.00 0.00 H new ATOM 0 HG3 PRO A 450 7.031 -9.078 6.691 1.00 0.00 H new ATOM 0 HD2 PRO A 450 5.252 -8.834 4.637 1.00 0.00 H new ATOM 0 HD3 PRO A 450 5.431 -7.551 5.817 1.00 0.00 H new ATOM 238 N ASP A 451 7.940 -8.360 1.906 1.00 0.00 N ATOM 239 CA ASP A 451 8.461 -9.147 0.777 1.00 0.00 C ATOM 240 C ASP A 451 7.816 -8.752 -0.574 1.00 0.00 C ATOM 241 O ASP A 451 7.891 -9.502 -1.548 1.00 0.00 O ATOM 242 CB ASP A 451 8.283 -10.642 1.114 1.00 0.00 C ATOM 243 CG ASP A 451 9.084 -11.582 0.194 1.00 0.00 C ATOM 244 OD1 ASP A 451 10.316 -11.385 0.051 1.00 0.00 O ATOM 245 OD2 ASP A 451 8.495 -12.557 -0.333 1.00 0.00 O ATOM 0 H ASP A 451 6.934 -8.202 1.842 1.00 0.00 H new ATOM 0 HA ASP A 451 9.521 -8.933 0.642 1.00 0.00 H new ATOM 0 HB2 ASP A 451 8.588 -10.812 2.147 1.00 0.00 H new ATOM 0 HB3 ASP A 451 7.225 -10.897 1.048 1.00 0.00 H new ATOM 250 N ILE A 452 7.163 -7.583 -0.643 1.00 0.00 N ATOM 251 CA ILE A 452 6.503 -7.076 -1.862 1.00 0.00 C ATOM 252 C ILE A 452 7.441 -6.158 -2.669 1.00 0.00 C ATOM 253 O ILE A 452 8.148 -5.325 -2.100 1.00 0.00 O ATOM 254 CB ILE A 452 5.153 -6.406 -1.504 1.00 0.00 C ATOM 255 CG1 ILE A 452 4.249 -6.361 -2.749 1.00 0.00 C ATOM 256 CG2 ILE A 452 5.323 -5.000 -0.899 1.00 0.00 C ATOM 257 CD1 ILE A 452 2.819 -5.887 -2.472 1.00 0.00 C ATOM 0 H ILE A 452 7.075 -6.953 0.154 1.00 0.00 H new ATOM 0 HA ILE A 452 6.276 -7.917 -2.517 1.00 0.00 H new ATOM 0 HB ILE A 452 4.682 -7.014 -0.732 1.00 0.00 H new ATOM 0 HG12 ILE A 452 4.702 -5.700 -3.489 1.00 0.00 H new ATOM 0 HG13 ILE A 452 4.210 -7.356 -3.192 1.00 0.00 H new ATOM 0 HG21 ILE A 452 4.343 -4.582 -0.669 1.00 0.00 H new ATOM 0 HG22 ILE A 452 5.913 -5.066 0.015 1.00 0.00 H new ATOM 0 HG23 ILE A 452 5.834 -4.355 -1.614 1.00 0.00 H new ATOM 0 HD11 ILE A 452 2.250 -5.885 -3.402 1.00 0.00 H new ATOM 0 HD12 ILE A 452 2.345 -6.560 -1.758 1.00 0.00 H new ATOM 0 HD13 ILE A 452 2.844 -4.878 -2.059 1.00 0.00 H new ATOM 269 N ASP A 453 7.450 -6.306 -3.995 1.00 0.00 N ATOM 270 CA ASP A 453 8.323 -5.560 -4.916 1.00 0.00 C ATOM 271 C ASP A 453 7.560 -4.540 -5.781 1.00 0.00 C ATOM 272 O ASP A 453 6.329 -4.534 -5.819 1.00 0.00 O ATOM 273 CB ASP A 453 9.118 -6.549 -5.780 1.00 0.00 C ATOM 274 CG ASP A 453 8.279 -7.203 -6.885 1.00 0.00 C ATOM 275 OD1 ASP A 453 8.107 -6.569 -7.952 1.00 0.00 O ATOM 276 OD2 ASP A 453 7.809 -8.346 -6.679 1.00 0.00 O ATOM 0 H ASP A 453 6.836 -6.964 -4.475 1.00 0.00 H new ATOM 0 HA ASP A 453 9.013 -4.970 -4.313 1.00 0.00 H new ATOM 0 HB2 ASP A 453 9.961 -6.028 -6.234 1.00 0.00 H new ATOM 0 HB3 ASP A 453 9.533 -7.328 -5.140 1.00 0.00 H new ATOM 281 N GLU A 454 8.307 -3.689 -6.492 1.00 0.00 N ATOM 282 CA GLU A 454 7.798 -2.572 -7.301 1.00 0.00 C ATOM 283 C GLU A 454 6.624 -2.958 -8.224 1.00 0.00 C ATOM 284 O GLU A 454 5.631 -2.234 -8.303 1.00 0.00 O ATOM 285 CB GLU A 454 8.933 -2.004 -8.171 1.00 0.00 C ATOM 286 CG GLU A 454 8.603 -0.613 -8.722 1.00 0.00 C ATOM 287 CD GLU A 454 9.718 -0.116 -9.648 1.00 0.00 C ATOM 288 OE1 GLU A 454 10.785 0.287 -9.131 1.00 0.00 O ATOM 289 OE2 GLU A 454 9.528 -0.105 -10.888 1.00 0.00 O ATOM 0 H GLU A 454 9.324 -3.761 -6.522 1.00 0.00 H new ATOM 0 HA GLU A 454 7.425 -1.832 -6.593 1.00 0.00 H new ATOM 0 HB2 GLU A 454 9.848 -1.951 -7.581 1.00 0.00 H new ATOM 0 HB3 GLU A 454 9.127 -2.684 -9.000 1.00 0.00 H new ATOM 0 HG2 GLU A 454 7.660 -0.647 -9.267 1.00 0.00 H new ATOM 0 HG3 GLU A 454 8.470 0.087 -7.898 1.00 0.00 H new ATOM 296 N ASP A 455 6.715 -4.102 -8.910 1.00 0.00 N ATOM 297 CA ASP A 455 5.732 -4.536 -9.909 1.00 0.00 C ATOM 298 C ASP A 455 4.480 -5.153 -9.266 1.00 0.00 C ATOM 299 O ASP A 455 3.393 -5.076 -9.836 1.00 0.00 O ATOM 300 CB ASP A 455 6.399 -5.523 -10.876 1.00 0.00 C ATOM 301 CG ASP A 455 5.512 -5.842 -12.091 1.00 0.00 C ATOM 302 OD1 ASP A 455 5.275 -4.929 -12.918 1.00 0.00 O ATOM 303 OD2 ASP A 455 5.091 -7.014 -12.240 1.00 0.00 O ATOM 0 H ASP A 455 7.483 -4.761 -8.786 1.00 0.00 H new ATOM 0 HA ASP A 455 5.392 -3.658 -10.459 1.00 0.00 H new ATOM 0 HB2 ASP A 455 7.346 -5.107 -11.220 1.00 0.00 H new ATOM 0 HB3 ASP A 455 6.631 -6.447 -10.346 1.00 0.00 H new ATOM 308 N GLU A 456 4.615 -5.695 -8.052 1.00 0.00 N ATOM 309 CA GLU A 456 3.488 -6.150 -7.233 1.00 0.00 C ATOM 310 C GLU A 456 2.775 -4.975 -6.557 1.00 0.00 C ATOM 311 O GLU A 456 1.548 -4.973 -6.482 1.00 0.00 O ATOM 312 CB GLU A 456 3.956 -7.141 -6.163 1.00 0.00 C ATOM 313 CG GLU A 456 4.403 -8.490 -6.720 1.00 0.00 C ATOM 314 CD GLU A 456 3.230 -9.327 -7.257 1.00 0.00 C ATOM 315 OE1 GLU A 456 2.497 -9.937 -6.444 1.00 0.00 O ATOM 316 OE2 GLU A 456 3.049 -9.405 -8.496 1.00 0.00 O ATOM 0 H GLU A 456 5.522 -5.832 -7.605 1.00 0.00 H new ATOM 0 HA GLU A 456 2.786 -6.646 -7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 456 4.782 -6.697 -5.607 1.00 0.00 H new ATOM 0 HB3 GLU A 456 3.145 -7.303 -5.453 1.00 0.00 H new ATOM 0 HG2 GLU A 456 5.125 -8.327 -7.521 1.00 0.00 H new ATOM 0 HG3 GLU A 456 4.916 -9.050 -5.938 1.00 0.00 H new ATOM 323 N ILE A 457 3.504 -3.939 -6.120 1.00 0.00 N ATOM 324 CA ILE A 457 2.896 -2.684 -5.644 1.00 0.00 C ATOM 325 C ILE A 457 2.169 -1.993 -6.806 1.00 0.00 C ATOM 326 O ILE A 457 1.056 -1.503 -6.619 1.00 0.00 O ATOM 327 CB ILE A 457 3.942 -1.752 -4.984 1.00 0.00 C ATOM 328 CG1 ILE A 457 4.666 -2.427 -3.796 1.00 0.00 C ATOM 329 CG2 ILE A 457 3.255 -0.467 -4.476 1.00 0.00 C ATOM 330 CD1 ILE A 457 6.000 -1.751 -3.454 1.00 0.00 C ATOM 0 H ILE A 457 4.523 -3.944 -6.086 1.00 0.00 H new ATOM 0 HA ILE A 457 2.168 -2.921 -4.869 1.00 0.00 H new ATOM 0 HB ILE A 457 4.684 -1.518 -5.747 1.00 0.00 H new ATOM 0 HG12 ILE A 457 4.017 -2.405 -2.920 1.00 0.00 H new ATOM 0 HG13 ILE A 457 4.845 -3.476 -4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 457 3.997 0.184 -4.013 1.00 0.00 H new ATOM 0 HG22 ILE A 457 2.789 0.052 -5.314 1.00 0.00 H new ATOM 0 HG23 ILE A 457 2.493 -0.728 -3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 457 6.464 -2.266 -2.613 1.00 0.00 H new ATOM 0 HD12 ILE A 457 6.663 -1.797 -4.318 1.00 0.00 H new ATOM 0 HD13 ILE A 457 5.822 -0.709 -3.188 1.00 0.00 H new ATOM 342 N THR A 458 2.738 -2.031 -8.020 1.00 0.00 N ATOM 343 CA THR A 458 2.083 -1.536 -9.240 1.00 0.00 C ATOM 344 C THR A 458 0.824 -2.335 -9.530 1.00 0.00 C ATOM 345 O THR A 458 -0.238 -1.736 -9.652 1.00 0.00 O ATOM 346 CB THR A 458 3.046 -1.537 -10.436 1.00 0.00 C ATOM 347 OG1 THR A 458 4.190 -0.777 -10.125 1.00 0.00 O ATOM 348 CG2 THR A 458 2.423 -0.908 -11.682 1.00 0.00 C ATOM 0 H THR A 458 3.671 -2.408 -8.184 1.00 0.00 H new ATOM 0 HA THR A 458 1.790 -0.500 -9.072 1.00 0.00 H new ATOM 0 HB THR A 458 3.290 -2.580 -10.638 1.00 0.00 H new ATOM 0 HG1 THR A 458 4.729 -1.254 -9.460 1.00 0.00 H new ATOM 0 HG21 THR A 458 3.143 -0.932 -12.500 1.00 0.00 H new ATOM 0 HG22 THR A 458 1.532 -1.468 -11.966 1.00 0.00 H new ATOM 0 HG23 THR A 458 2.149 0.126 -11.470 1.00 0.00 H new ATOM 356 N ALA A 459 0.887 -3.668 -9.575 1.00 0.00 N ATOM 357 CA ALA A 459 -0.287 -4.515 -9.807 1.00 0.00 C ATOM 358 C ALA A 459 -1.364 -4.365 -8.713 1.00 0.00 C ATOM 359 O ALA A 459 -2.558 -4.451 -9.006 1.00 0.00 O ATOM 360 CB ALA A 459 0.180 -5.970 -9.939 1.00 0.00 C ATOM 0 H ALA A 459 1.754 -4.191 -9.452 1.00 0.00 H new ATOM 0 HA ALA A 459 -0.768 -4.192 -10.730 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -0.682 -6.614 -10.112 1.00 0.00 H new ATOM 0 HB2 ALA A 459 0.871 -6.056 -10.777 1.00 0.00 H new ATOM 0 HB3 ALA A 459 0.683 -6.275 -9.021 1.00 0.00 H new ATOM 366 N SER A 460 -0.966 -4.070 -7.475 1.00 0.00 N ATOM 367 CA SER A 460 -1.876 -3.802 -6.351 1.00 0.00 C ATOM 368 C SER A 460 -2.683 -2.501 -6.494 1.00 0.00 C ATOM 369 O SER A 460 -3.688 -2.345 -5.796 1.00 0.00 O ATOM 370 CB SER A 460 -1.111 -3.773 -5.019 1.00 0.00 C ATOM 371 OG SER A 460 -0.522 -5.029 -4.721 1.00 0.00 O ATOM 0 H SER A 460 0.019 -4.008 -7.216 1.00 0.00 H new ATOM 0 HA SER A 460 -2.590 -4.626 -6.363 1.00 0.00 H new ATOM 0 HB2 SER A 460 -0.335 -3.009 -5.062 1.00 0.00 H new ATOM 0 HB3 SER A 460 -1.791 -3.491 -4.215 1.00 0.00 H new ATOM 0 HG SER A 460 0.182 -5.223 -5.374 1.00 0.00 H new ATOM 377 N PHE A 461 -2.307 -1.591 -7.405 1.00 0.00 N ATOM 378 CA PHE A 461 -3.041 -0.343 -7.662 1.00 0.00 C ATOM 379 C PHE A 461 -3.346 -0.099 -9.154 1.00 0.00 C ATOM 380 O PHE A 461 -4.092 0.823 -9.482 1.00 0.00 O ATOM 381 CB PHE A 461 -2.291 0.817 -6.990 1.00 0.00 C ATOM 382 CG PHE A 461 -2.350 0.784 -5.470 1.00 0.00 C ATOM 383 CD1 PHE A 461 -1.374 0.083 -4.734 1.00 0.00 C ATOM 384 CD2 PHE A 461 -3.373 1.464 -4.782 1.00 0.00 C ATOM 385 CE1 PHE A 461 -1.424 0.046 -3.330 1.00 0.00 C ATOM 386 CE2 PHE A 461 -3.411 1.447 -3.375 1.00 0.00 C ATOM 387 CZ PHE A 461 -2.444 0.730 -2.651 1.00 0.00 C ATOM 0 H PHE A 461 -1.478 -1.702 -7.989 1.00 0.00 H new ATOM 0 HA PHE A 461 -4.032 -0.424 -7.216 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -1.248 0.794 -7.305 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -2.710 1.760 -7.341 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -0.579 -0.431 -5.254 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -4.130 2.000 -5.335 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -0.680 -0.507 -2.776 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.186 1.987 -2.851 1.00 0.00 H new ATOM 0 HZ PHE A 461 -2.486 0.705 -1.572 1.00 0.00 H new ATOM 397 N ARG A 462 -2.884 -0.972 -10.059 1.00 0.00 N ATOM 398 CA ARG A 462 -3.183 -0.928 -11.502 1.00 0.00 C ATOM 399 C ARG A 462 -4.683 -1.066 -11.813 1.00 0.00 C ATOM 400 O ARG A 462 -5.141 -0.562 -12.841 1.00 0.00 O ATOM 401 CB ARG A 462 -2.339 -1.996 -12.231 1.00 0.00 C ATOM 402 CG ARG A 462 -2.481 -2.008 -13.763 1.00 0.00 C ATOM 403 CD ARG A 462 -2.084 -0.668 -14.396 1.00 0.00 C ATOM 404 NE ARG A 462 -2.374 -0.626 -15.839 1.00 0.00 N ATOM 405 CZ ARG A 462 -3.550 -0.377 -16.407 1.00 0.00 C ATOM 406 NH1 ARG A 462 -4.655 -0.206 -15.709 1.00 0.00 N ATOM 407 NH2 ARG A 462 -3.630 -0.295 -17.717 1.00 0.00 N ATOM 0 H ARG A 462 -2.276 -1.750 -9.804 1.00 0.00 H new ATOM 0 HA ARG A 462 -2.908 0.059 -11.873 1.00 0.00 H new ATOM 0 HB2 ARG A 462 -1.290 -1.840 -11.980 1.00 0.00 H new ATOM 0 HB3 ARG A 462 -2.616 -2.978 -11.849 1.00 0.00 H new ATOM 0 HG2 ARG A 462 -1.858 -2.801 -14.177 1.00 0.00 H new ATOM 0 HG3 ARG A 462 -3.512 -2.241 -14.028 1.00 0.00 H new ATOM 0 HD2 ARG A 462 -2.618 0.140 -13.896 1.00 0.00 H new ATOM 0 HD3 ARG A 462 -1.020 -0.494 -14.236 1.00 0.00 H new ATOM 0 HE ARG A 462 -1.592 -0.807 -16.468 1.00 0.00 H new ATOM 0 HH11 ARG A 462 -4.629 -0.263 -14.691 1.00 0.00 H new ATOM 0 HH12 ARG A 462 -5.536 -0.017 -16.187 1.00 0.00 H new ATOM 0 HH21 ARG A 462 -2.794 -0.422 -18.288 1.00 0.00 H new ATOM 0 HH22 ARG A 462 -4.528 -0.104 -18.162 1.00 0.00 H new ATOM 421 N ARG A 463 -5.456 -1.653 -10.890 1.00 0.00 N ATOM 422 CA ARG A 463 -6.930 -1.708 -10.877 1.00 0.00 C ATOM 423 C ARG A 463 -7.636 -0.333 -10.926 1.00 0.00 C ATOM 424 O ARG A 463 -8.830 -0.279 -11.221 1.00 0.00 O ATOM 425 CB ARG A 463 -7.410 -2.545 -9.667 1.00 0.00 C ATOM 426 CG ARG A 463 -6.799 -2.124 -8.316 1.00 0.00 C ATOM 427 CD ARG A 463 -7.376 -2.921 -7.134 1.00 0.00 C ATOM 428 NE ARG A 463 -6.470 -2.863 -5.974 1.00 0.00 N ATOM 429 CZ ARG A 463 -6.635 -3.405 -4.774 1.00 0.00 C ATOM 430 NH1 ARG A 463 -7.753 -3.987 -4.397 1.00 0.00 N ATOM 431 NH2 ARG A 463 -5.629 -3.362 -3.932 1.00 0.00 N ATOM 0 H ARG A 463 -5.050 -2.130 -10.085 1.00 0.00 H new ATOM 0 HA ARG A 463 -7.222 -2.193 -11.809 1.00 0.00 H new ATOM 0 HB2 ARG A 463 -8.495 -2.472 -9.599 1.00 0.00 H new ATOM 0 HB3 ARG A 463 -7.171 -3.593 -9.849 1.00 0.00 H new ATOM 0 HG2 ARG A 463 -5.718 -2.263 -8.351 1.00 0.00 H new ATOM 0 HG3 ARG A 463 -6.979 -1.061 -8.155 1.00 0.00 H new ATOM 0 HD2 ARG A 463 -8.352 -2.519 -6.860 1.00 0.00 H new ATOM 0 HD3 ARG A 463 -7.530 -3.959 -7.430 1.00 0.00 H new ATOM 0 HE ARG A 463 -5.605 -2.339 -6.111 1.00 0.00 H new ATOM 0 HH11 ARG A 463 -8.544 -4.036 -5.039 1.00 0.00 H new ATOM 0 HH12 ARG A 463 -7.829 -4.389 -3.463 1.00 0.00 H new ATOM 0 HH21 ARG A 463 -4.752 -2.921 -4.208 1.00 0.00 H new ATOM 0 HH22 ARG A 463 -5.725 -3.770 -3.002 1.00 0.00 H new ATOM 445 N PHE A 464 -6.911 0.769 -10.690 1.00 0.00 N ATOM 446 CA PHE A 464 -7.414 2.150 -10.751 1.00 0.00 C ATOM 447 C PHE A 464 -6.991 2.914 -12.020 1.00 0.00 C ATOM 448 O PHE A 464 -7.456 4.033 -12.240 1.00 0.00 O ATOM 449 CB PHE A 464 -6.943 2.871 -9.478 1.00 0.00 C ATOM 450 CG PHE A 464 -7.406 2.191 -8.203 1.00 0.00 C ATOM 451 CD1 PHE A 464 -8.781 2.005 -7.971 1.00 0.00 C ATOM 452 CD2 PHE A 464 -6.472 1.663 -7.291 1.00 0.00 C ATOM 453 CE1 PHE A 464 -9.220 1.286 -6.848 1.00 0.00 C ATOM 454 CE2 PHE A 464 -6.911 0.931 -6.173 1.00 0.00 C ATOM 455 CZ PHE A 464 -8.286 0.746 -5.947 1.00 0.00 C ATOM 0 H PHE A 464 -5.923 0.723 -10.442 1.00 0.00 H new ATOM 0 HA PHE A 464 -8.502 2.119 -10.805 1.00 0.00 H new ATOM 0 HB2 PHE A 464 -5.854 2.924 -9.480 1.00 0.00 H new ATOM 0 HB3 PHE A 464 -7.312 3.896 -9.491 1.00 0.00 H new ATOM 0 HD1 PHE A 464 -9.503 2.418 -8.660 1.00 0.00 H new ATOM 0 HD2 PHE A 464 -5.416 1.821 -7.450 1.00 0.00 H new ATOM 0 HE1 PHE A 464 -10.277 1.148 -6.676 1.00 0.00 H new ATOM 0 HE2 PHE A 464 -6.191 0.510 -5.487 1.00 0.00 H new ATOM 0 HZ PHE A 464 -8.624 0.191 -5.084 1.00 0.00 H new ATOM 465 N GLY A 465 -6.129 2.322 -12.856 1.00 0.00 N ATOM 466 CA GLY A 465 -5.473 2.954 -14.009 1.00 0.00 C ATOM 467 C GLY A 465 -3.941 2.862 -13.926 1.00 0.00 C ATOM 468 O GLY A 465 -3.418 2.394 -12.912 1.00 0.00 O ATOM 0 H GLY A 465 -5.857 1.345 -12.743 1.00 0.00 H new ATOM 0 HA2 GLY A 465 -5.815 2.476 -14.927 1.00 0.00 H new ATOM 0 HA3 GLY A 465 -5.770 4.001 -14.065 1.00 0.00 H new ATOM 472 N PRO A 466 -3.212 3.259 -14.988 1.00 0.00 N ATOM 473 CA PRO A 466 -1.757 3.144 -15.057 1.00 0.00 C ATOM 474 C PRO A 466 -1.049 4.112 -14.100 1.00 0.00 C ATOM 475 O PRO A 466 -1.559 5.188 -13.774 1.00 0.00 O ATOM 476 CB PRO A 466 -1.393 3.383 -16.526 1.00 0.00 C ATOM 477 CG PRO A 466 -2.540 4.246 -17.049 1.00 0.00 C ATOM 478 CD PRO A 466 -3.745 3.765 -16.245 1.00 0.00 C ATOM 0 HA PRO A 466 -1.420 2.160 -14.730 1.00 0.00 H new ATOM 0 HB2 PRO A 466 -0.434 3.891 -16.623 1.00 0.00 H new ATOM 0 HB3 PRO A 466 -1.314 2.445 -17.076 1.00 0.00 H new ATOM 0 HG2 PRO A 466 -2.349 5.307 -16.889 1.00 0.00 H new ATOM 0 HG3 PRO A 466 -2.691 4.107 -18.120 1.00 0.00 H new ATOM 0 HD2 PRO A 466 -4.448 4.579 -16.071 1.00 0.00 H new ATOM 0 HD3 PRO A 466 -4.286 2.986 -16.781 1.00 0.00 H new ATOM 486 N LEU A 467 0.146 3.707 -13.653 1.00 0.00 N ATOM 487 CA LEU A 467 0.929 4.354 -12.598 1.00 0.00 C ATOM 488 C LEU A 467 2.411 3.926 -12.615 1.00 0.00 C ATOM 489 O LEU A 467 2.790 2.991 -13.323 1.00 0.00 O ATOM 490 CB LEU A 467 0.283 4.069 -11.213 1.00 0.00 C ATOM 491 CG LEU A 467 0.465 2.641 -10.641 1.00 0.00 C ATOM 492 CD1 LEU A 467 0.240 2.664 -9.126 1.00 0.00 C ATOM 493 CD2 LEU A 467 -0.496 1.616 -11.259 1.00 0.00 C ATOM 0 H LEU A 467 0.612 2.884 -14.034 1.00 0.00 H new ATOM 0 HA LEU A 467 0.917 5.427 -12.788 1.00 0.00 H new ATOM 0 HB2 LEU A 467 0.693 4.778 -10.494 1.00 0.00 H new ATOM 0 HB3 LEU A 467 -0.785 4.272 -11.288 1.00 0.00 H new ATOM 0 HG LEU A 467 1.481 2.334 -10.889 1.00 0.00 H new ATOM 0 HD11 LEU A 467 0.368 1.659 -8.724 1.00 0.00 H new ATOM 0 HD12 LEU A 467 0.962 3.336 -8.661 1.00 0.00 H new ATOM 0 HD13 LEU A 467 -0.770 3.014 -8.913 1.00 0.00 H new ATOM 0 HD21 LEU A 467 -0.317 0.636 -10.816 1.00 0.00 H new ATOM 0 HD22 LEU A 467 -1.525 1.919 -11.066 1.00 0.00 H new ATOM 0 HD23 LEU A 467 -0.329 1.563 -12.335 1.00 0.00 H new ATOM 505 N VAL A 468 3.227 4.578 -11.782 1.00 0.00 N ATOM 506 CA VAL A 468 4.606 4.176 -11.435 1.00 0.00 C ATOM 507 C VAL A 468 4.797 4.278 -9.910 1.00 0.00 C ATOM 508 O VAL A 468 4.022 4.967 -9.248 1.00 0.00 O ATOM 509 CB VAL A 468 5.668 4.966 -12.246 1.00 0.00 C ATOM 510 CG1 VAL A 468 5.985 6.364 -11.721 1.00 0.00 C ATOM 511 CG2 VAL A 468 6.965 4.159 -12.377 1.00 0.00 C ATOM 0 H VAL A 468 2.940 5.435 -11.309 1.00 0.00 H new ATOM 0 HA VAL A 468 4.760 3.135 -11.721 1.00 0.00 H new ATOM 0 HB VAL A 468 5.206 5.115 -13.222 1.00 0.00 H new ATOM 0 HG11 VAL A 468 6.737 6.830 -12.357 1.00 0.00 H new ATOM 0 HG12 VAL A 468 5.079 6.969 -11.728 1.00 0.00 H new ATOM 0 HG13 VAL A 468 6.366 6.292 -10.702 1.00 0.00 H new ATOM 0 HG21 VAL A 468 7.694 4.733 -12.949 1.00 0.00 H new ATOM 0 HG22 VAL A 468 7.365 3.950 -11.385 1.00 0.00 H new ATOM 0 HG23 VAL A 468 6.759 3.220 -12.890 1.00 0.00 H new ATOM 521 N VAL A 469 5.790 3.581 -9.345 1.00 0.00 N ATOM 522 CA VAL A 469 5.986 3.443 -7.887 1.00 0.00 C ATOM 523 C VAL A 469 7.430 3.787 -7.497 1.00 0.00 C ATOM 524 O VAL A 469 8.383 3.348 -8.142 1.00 0.00 O ATOM 525 CB VAL A 469 5.611 2.019 -7.407 1.00 0.00 C ATOM 526 CG1 VAL A 469 5.761 1.866 -5.884 1.00 0.00 C ATOM 527 CG2 VAL A 469 4.160 1.663 -7.783 1.00 0.00 C ATOM 0 H VAL A 469 6.495 3.087 -9.893 1.00 0.00 H new ATOM 0 HA VAL A 469 5.321 4.150 -7.391 1.00 0.00 H new ATOM 0 HB VAL A 469 6.303 1.342 -7.908 1.00 0.00 H new ATOM 0 HG11 VAL A 469 5.488 0.852 -5.591 1.00 0.00 H new ATOM 0 HG12 VAL A 469 6.795 2.060 -5.599 1.00 0.00 H new ATOM 0 HG13 VAL A 469 5.107 2.578 -5.381 1.00 0.00 H new ATOM 0 HG21 VAL A 469 3.929 0.657 -7.432 1.00 0.00 H new ATOM 0 HG22 VAL A 469 3.478 2.375 -7.318 1.00 0.00 H new ATOM 0 HG23 VAL A 469 4.044 1.704 -8.866 1.00 0.00 H new ATOM 537 N ASP A 470 7.581 4.572 -6.426 1.00 0.00 N ATOM 538 CA ASP A 470 8.841 5.153 -5.946 1.00 0.00 C ATOM 539 C ASP A 470 8.886 5.234 -4.404 1.00 0.00 C ATOM 540 O ASP A 470 7.858 5.121 -3.739 1.00 0.00 O ATOM 541 CB ASP A 470 8.995 6.542 -6.595 1.00 0.00 C ATOM 542 CG ASP A 470 10.355 7.196 -6.308 1.00 0.00 C ATOM 543 OD1 ASP A 470 11.392 6.552 -6.591 1.00 0.00 O ATOM 544 OD2 ASP A 470 10.377 8.346 -5.812 1.00 0.00 O ATOM 0 H ASP A 470 6.788 4.833 -5.840 1.00 0.00 H new ATOM 0 HA ASP A 470 9.676 4.514 -6.232 1.00 0.00 H new ATOM 0 HB2 ASP A 470 8.864 6.449 -7.673 1.00 0.00 H new ATOM 0 HB3 ASP A 470 8.201 7.195 -6.233 1.00 0.00 H new ATOM 786 N GLY A 485 8.807 -0.335 4.406 1.00 0.00 N ATOM 787 CA GLY A 485 7.396 -0.735 4.553 1.00 0.00 C ATOM 788 C GLY A 485 6.390 0.290 4.013 1.00 0.00 C ATOM 789 O GLY A 485 5.203 0.198 4.320 1.00 0.00 O ATOM 0 HA2 GLY A 485 7.244 -1.683 4.037 1.00 0.00 H new ATOM 0 HA3 GLY A 485 7.188 -0.910 5.609 1.00 0.00 H new ATOM 793 N TYR A 486 6.838 1.255 3.205 1.00 0.00 N ATOM 794 CA TYR A 486 5.993 2.284 2.585 1.00 0.00 C ATOM 795 C TYR A 486 6.538 2.759 1.227 1.00 0.00 C ATOM 796 O TYR A 486 7.736 2.652 0.956 1.00 0.00 O ATOM 797 CB TYR A 486 5.776 3.461 3.556 1.00 0.00 C ATOM 798 CG TYR A 486 6.974 4.360 3.814 1.00 0.00 C ATOM 799 CD1 TYR A 486 7.297 5.388 2.903 1.00 0.00 C ATOM 800 CD2 TYR A 486 7.723 4.219 4.998 1.00 0.00 C ATOM 801 CE1 TYR A 486 8.366 6.264 3.169 1.00 0.00 C ATOM 802 CE2 TYR A 486 8.784 5.102 5.277 1.00 0.00 C ATOM 803 CZ TYR A 486 9.111 6.126 4.361 1.00 0.00 C ATOM 804 OH TYR A 486 10.131 6.991 4.628 1.00 0.00 O ATOM 0 H TYR A 486 7.823 1.346 2.957 1.00 0.00 H new ATOM 0 HA TYR A 486 5.025 1.828 2.377 1.00 0.00 H new ATOM 0 HB2 TYR A 486 4.965 4.077 3.168 1.00 0.00 H new ATOM 0 HB3 TYR A 486 5.441 3.057 4.511 1.00 0.00 H new ATOM 0 HD1 TYR A 486 6.721 5.503 1.997 1.00 0.00 H new ATOM 0 HD2 TYR A 486 7.483 3.430 5.695 1.00 0.00 H new ATOM 0 HE1 TYR A 486 8.616 7.041 2.462 1.00 0.00 H new ATOM 0 HE2 TYR A 486 9.348 4.996 6.192 1.00 0.00 H new ATOM 0 HH TYR A 486 10.540 6.759 5.488 1.00 0.00 H new ATOM 814 N ALA A 487 5.657 3.301 0.381 1.00 0.00 N ATOM 815 CA ALA A 487 5.978 3.799 -0.956 1.00 0.00 C ATOM 816 C ALA A 487 5.014 4.913 -1.394 1.00 0.00 C ATOM 817 O ALA A 487 3.978 5.152 -0.766 1.00 0.00 O ATOM 818 CB ALA A 487 5.970 2.615 -1.939 1.00 0.00 C ATOM 0 H ALA A 487 4.670 3.408 0.617 1.00 0.00 H new ATOM 0 HA ALA A 487 6.971 4.248 -0.945 1.00 0.00 H new ATOM 0 HB1 ALA A 487 6.208 2.972 -2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 487 6.713 1.880 -1.630 1.00 0.00 H new ATOM 0 HB3 ALA A 487 4.983 2.153 -1.944 1.00 0.00 H new ATOM 824 N PHE A 488 5.359 5.569 -2.500 1.00 0.00 N ATOM 825 CA PHE A 488 4.578 6.597 -3.174 1.00 0.00 C ATOM 826 C PHE A 488 4.186 6.108 -4.573 1.00 0.00 C ATOM 827 O PHE A 488 5.039 5.862 -5.428 1.00 0.00 O ATOM 828 CB PHE A 488 5.397 7.892 -3.263 1.00 0.00 C ATOM 829 CG PHE A 488 5.673 8.558 -1.930 1.00 0.00 C ATOM 830 CD1 PHE A 488 4.725 9.438 -1.375 1.00 0.00 C ATOM 831 CD2 PHE A 488 6.884 8.317 -1.254 1.00 0.00 C ATOM 832 CE1 PHE A 488 5.000 10.095 -0.164 1.00 0.00 C ATOM 833 CE2 PHE A 488 7.152 8.964 -0.033 1.00 0.00 C ATOM 834 CZ PHE A 488 6.214 9.860 0.508 1.00 0.00 C ATOM 0 H PHE A 488 6.243 5.385 -2.975 1.00 0.00 H new ATOM 0 HA PHE A 488 3.669 6.799 -2.607 1.00 0.00 H new ATOM 0 HB2 PHE A 488 6.348 7.672 -3.748 1.00 0.00 H new ATOM 0 HB3 PHE A 488 4.868 8.597 -3.904 1.00 0.00 H new ATOM 0 HD1 PHE A 488 3.786 9.608 -1.880 1.00 0.00 H new ATOM 0 HD2 PHE A 488 7.609 7.635 -1.673 1.00 0.00 H new ATOM 0 HE1 PHE A 488 4.278 10.782 0.252 1.00 0.00 H new ATOM 0 HE2 PHE A 488 8.078 8.772 0.488 1.00 0.00 H new ATOM 0 HZ PHE A 488 6.425 10.367 1.438 1.00 0.00 H new ATOM 844 N LEU A 489 2.879 5.993 -4.801 1.00 0.00 N ATOM 845 CA LEU A 489 2.276 5.766 -6.111 1.00 0.00 C ATOM 846 C LEU A 489 2.192 7.101 -6.849 1.00 0.00 C ATOM 847 O LEU A 489 1.834 8.112 -6.239 1.00 0.00 O ATOM 848 CB LEU A 489 0.849 5.207 -5.954 1.00 0.00 C ATOM 849 CG LEU A 489 0.655 4.050 -4.958 1.00 0.00 C ATOM 850 CD1 LEU A 489 -0.839 3.721 -4.909 1.00 0.00 C ATOM 851 CD2 LEU A 489 1.466 2.800 -5.317 1.00 0.00 C ATOM 0 H LEU A 489 2.188 6.058 -4.053 1.00 0.00 H new ATOM 0 HA LEU A 489 2.885 5.051 -6.664 1.00 0.00 H new ATOM 0 HB2 LEU A 489 0.196 6.026 -5.652 1.00 0.00 H new ATOM 0 HB3 LEU A 489 0.508 4.871 -6.933 1.00 0.00 H new ATOM 0 HG LEU A 489 1.023 4.370 -3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 489 -1.009 2.902 -4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 489 -1.394 4.600 -4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 489 -1.179 3.426 -5.902 1.00 0.00 H new ATOM 0 HD21 LEU A 489 1.284 2.023 -4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 489 1.164 2.441 -6.301 1.00 0.00 H new ATOM 0 HD23 LEU A 489 2.528 3.047 -5.331 1.00 0.00 H new ATOM 863 N LEU A 490 2.449 7.086 -8.153 1.00 0.00 N ATOM 864 CA LEU A 490 2.254 8.204 -9.075 1.00 0.00 C ATOM 865 C LEU A 490 1.333 7.728 -10.203 1.00 0.00 C ATOM 866 O LEU A 490 1.776 6.986 -11.086 1.00 0.00 O ATOM 867 CB LEU A 490 3.612 8.647 -9.657 1.00 0.00 C ATOM 868 CG LEU A 490 4.751 8.984 -8.682 1.00 0.00 C ATOM 869 CD1 LEU A 490 6.001 9.307 -9.516 1.00 0.00 C ATOM 870 CD2 LEU A 490 4.395 10.157 -7.764 1.00 0.00 C ATOM 0 H LEU A 490 2.816 6.256 -8.619 1.00 0.00 H new ATOM 0 HA LEU A 490 1.810 9.053 -8.555 1.00 0.00 H new ATOM 0 HB2 LEU A 490 3.964 7.855 -10.318 1.00 0.00 H new ATOM 0 HB3 LEU A 490 3.436 9.525 -10.278 1.00 0.00 H new ATOM 0 HG LEU A 490 4.932 8.130 -8.030 1.00 0.00 H new ATOM 0 HD11 LEU A 490 6.829 9.551 -8.851 1.00 0.00 H new ATOM 0 HD12 LEU A 490 6.266 8.442 -10.124 1.00 0.00 H new ATOM 0 HD13 LEU A 490 5.795 10.157 -10.166 1.00 0.00 H new ATOM 0 HD21 LEU A 490 5.229 10.360 -7.092 1.00 0.00 H new ATOM 0 HD22 LEU A 490 4.191 11.042 -8.367 1.00 0.00 H new ATOM 0 HD23 LEU A 490 3.511 9.905 -7.179 1.00 0.00 H new ATOM 882 N PHE A 491 0.060 8.122 -10.171 1.00 0.00 N ATOM 883 CA PHE A 491 -0.916 7.765 -11.207 1.00 0.00 C ATOM 884 C PHE A 491 -0.789 8.679 -12.436 1.00 0.00 C ATOM 885 O PHE A 491 -0.308 9.809 -12.344 1.00 0.00 O ATOM 886 CB PHE A 491 -2.333 7.792 -10.618 1.00 0.00 C ATOM 887 CG PHE A 491 -2.599 6.715 -9.578 1.00 0.00 C ATOM 888 CD1 PHE A 491 -3.081 5.448 -9.967 1.00 0.00 C ATOM 889 CD2 PHE A 491 -2.366 6.978 -8.214 1.00 0.00 C ATOM 890 CE1 PHE A 491 -3.325 4.458 -9.000 1.00 0.00 C ATOM 891 CE2 PHE A 491 -2.631 5.993 -7.247 1.00 0.00 C ATOM 892 CZ PHE A 491 -3.114 4.734 -7.640 1.00 0.00 C ATOM 0 H PHE A 491 -0.327 8.700 -9.425 1.00 0.00 H new ATOM 0 HA PHE A 491 -0.708 6.752 -11.551 1.00 0.00 H new ATOM 0 HB2 PHE A 491 -2.507 8.768 -10.166 1.00 0.00 H new ATOM 0 HB3 PHE A 491 -3.053 7.683 -11.429 1.00 0.00 H new ATOM 0 HD1 PHE A 491 -3.263 5.238 -11.011 1.00 0.00 H new ATOM 0 HD2 PHE A 491 -1.982 7.941 -7.910 1.00 0.00 H new ATOM 0 HE1 PHE A 491 -3.676 3.483 -9.304 1.00 0.00 H new ATOM 0 HE2 PHE A 491 -2.463 6.204 -6.201 1.00 0.00 H new ATOM 0 HZ PHE A 491 -3.323 3.979 -6.897 1.00 0.00 H new ATOM 902 N GLN A 492 -1.240 8.203 -13.600 1.00 0.00 N ATOM 903 CA GLN A 492 -1.222 8.979 -14.847 1.00 0.00 C ATOM 904 C GLN A 492 -2.422 9.936 -14.985 1.00 0.00 C ATOM 905 O GLN A 492 -2.365 10.865 -15.790 1.00 0.00 O ATOM 906 CB GLN A 492 -1.159 8.011 -16.039 1.00 0.00 C ATOM 907 CG GLN A 492 0.130 7.169 -16.085 1.00 0.00 C ATOM 908 CD GLN A 492 1.392 8.017 -16.256 1.00 0.00 C ATOM 909 OE1 GLN A 492 1.657 8.585 -17.309 1.00 0.00 O ATOM 910 NE2 GLN A 492 2.214 8.156 -15.234 1.00 0.00 N ATOM 0 H GLN A 492 -1.629 7.266 -13.706 1.00 0.00 H new ATOM 0 HA GLN A 492 -0.336 9.614 -14.828 1.00 0.00 H new ATOM 0 HB2 GLN A 492 -2.018 7.342 -15.998 1.00 0.00 H new ATOM 0 HB3 GLN A 492 -1.243 8.582 -16.964 1.00 0.00 H new ATOM 0 HG2 GLN A 492 0.211 6.588 -15.166 1.00 0.00 H new ATOM 0 HG3 GLN A 492 0.063 6.457 -16.908 1.00 0.00 H new ATOM 0 HE21 GLN A 492 2.011 7.691 -14.349 1.00 0.00 H new ATOM 0 HE22 GLN A 492 3.053 8.728 -15.328 1.00 0.00 H new ATOM 919 N GLU A 493 -3.481 9.754 -14.185 1.00 0.00 N ATOM 920 CA GLU A 493 -4.686 10.594 -14.164 1.00 0.00 C ATOM 921 C GLU A 493 -5.194 10.777 -12.726 1.00 0.00 C ATOM 922 O GLU A 493 -5.178 9.838 -11.929 1.00 0.00 O ATOM 923 CB GLU A 493 -5.803 9.969 -15.027 1.00 0.00 C ATOM 924 CG GLU A 493 -5.464 9.916 -16.522 1.00 0.00 C ATOM 925 CD GLU A 493 -6.672 9.446 -17.348 1.00 0.00 C ATOM 926 OE1 GLU A 493 -7.484 10.300 -17.777 1.00 0.00 O ATOM 927 OE2 GLU A 493 -6.811 8.223 -17.587 1.00 0.00 O ATOM 0 H GLU A 493 -3.524 8.990 -13.510 1.00 0.00 H new ATOM 0 HA GLU A 493 -4.420 11.568 -14.576 1.00 0.00 H new ATOM 0 HB2 GLU A 493 -6.003 8.958 -14.672 1.00 0.00 H new ATOM 0 HB3 GLU A 493 -6.720 10.542 -14.891 1.00 0.00 H new ATOM 0 HG2 GLU A 493 -5.149 10.903 -16.862 1.00 0.00 H new ATOM 0 HG3 GLU A 493 -4.624 9.240 -16.684 1.00 0.00 H new ATOM 934 N GLU A 494 -5.682 11.978 -12.392 1.00 0.00 N ATOM 935 CA GLU A 494 -6.299 12.264 -11.084 1.00 0.00 C ATOM 936 C GLU A 494 -7.536 11.382 -10.838 1.00 0.00 C ATOM 937 O GLU A 494 -7.785 10.948 -9.712 1.00 0.00 O ATOM 938 CB GLU A 494 -6.696 13.746 -10.987 1.00 0.00 C ATOM 939 CG GLU A 494 -5.489 14.691 -10.938 1.00 0.00 C ATOM 940 CD GLU A 494 -5.945 16.158 -10.908 1.00 0.00 C ATOM 941 OE1 GLU A 494 -6.203 16.693 -9.804 1.00 0.00 O ATOM 942 OE2 GLU A 494 -6.043 16.784 -11.989 1.00 0.00 O ATOM 0 H GLU A 494 -5.662 12.782 -13.019 1.00 0.00 H new ATOM 0 HA GLU A 494 -5.557 12.037 -10.318 1.00 0.00 H new ATOM 0 HB2 GLU A 494 -7.319 14.006 -11.843 1.00 0.00 H new ATOM 0 HB3 GLU A 494 -7.303 13.895 -10.094 1.00 0.00 H new ATOM 0 HG2 GLU A 494 -4.888 14.474 -10.055 1.00 0.00 H new ATOM 0 HG3 GLU A 494 -4.853 14.521 -11.807 1.00 0.00 H new ATOM 949 N SER A 495 -8.264 11.023 -11.898 1.00 0.00 N ATOM 950 CA SER A 495 -9.394 10.088 -11.856 1.00 0.00 C ATOM 951 C SER A 495 -9.019 8.721 -11.260 1.00 0.00 C ATOM 952 O SER A 495 -9.854 8.079 -10.624 1.00 0.00 O ATOM 953 CB SER A 495 -9.956 9.887 -13.271 1.00 0.00 C ATOM 954 OG SER A 495 -10.257 11.135 -13.890 1.00 0.00 O ATOM 0 H SER A 495 -8.080 11.383 -12.834 1.00 0.00 H new ATOM 0 HA SER A 495 -10.146 10.532 -11.204 1.00 0.00 H new ATOM 0 HB2 SER A 495 -9.233 9.342 -13.878 1.00 0.00 H new ATOM 0 HB3 SER A 495 -10.857 9.275 -13.223 1.00 0.00 H new ATOM 0 HG SER A 495 -10.611 10.977 -14.790 1.00 0.00 H new ATOM 960 N SER A 496 -7.758 8.288 -11.373 1.00 0.00 N ATOM 961 CA SER A 496 -7.272 7.056 -10.741 1.00 0.00 C ATOM 962 C SER A 496 -7.095 7.214 -9.223 1.00 0.00 C ATOM 963 O SER A 496 -7.300 6.256 -8.478 1.00 0.00 O ATOM 964 CB SER A 496 -5.933 6.636 -11.361 1.00 0.00 C ATOM 965 OG SER A 496 -5.995 6.550 -12.780 1.00 0.00 O ATOM 0 H SER A 496 -7.044 8.784 -11.907 1.00 0.00 H new ATOM 0 HA SER A 496 -8.026 6.289 -10.917 1.00 0.00 H new ATOM 0 HB2 SER A 496 -5.163 7.353 -11.077 1.00 0.00 H new ATOM 0 HB3 SER A 496 -5.634 5.670 -10.954 1.00 0.00 H new ATOM 0 HG SER A 496 -6.512 5.758 -13.037 1.00 0.00 H new ATOM 971 N VAL A 497 -6.790 8.426 -8.742 1.00 0.00 N ATOM 972 CA VAL A 497 -6.719 8.724 -7.302 1.00 0.00 C ATOM 973 C VAL A 497 -8.134 8.790 -6.719 1.00 0.00 C ATOM 974 O VAL A 497 -8.374 8.260 -5.640 1.00 0.00 O ATOM 975 CB VAL A 497 -5.932 10.020 -6.997 1.00 0.00 C ATOM 976 CG1 VAL A 497 -5.846 10.289 -5.484 1.00 0.00 C ATOM 977 CG2 VAL A 497 -4.507 9.941 -7.567 1.00 0.00 C ATOM 0 H VAL A 497 -6.585 9.228 -9.338 1.00 0.00 H new ATOM 0 HA VAL A 497 -6.167 7.915 -6.825 1.00 0.00 H new ATOM 0 HB VAL A 497 -6.475 10.838 -7.472 1.00 0.00 H new ATOM 0 HG11 VAL A 497 -5.286 11.208 -5.309 1.00 0.00 H new ATOM 0 HG12 VAL A 497 -6.851 10.393 -5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 497 -5.340 9.457 -4.995 1.00 0.00 H new ATOM 0 HG21 VAL A 497 -3.973 10.864 -7.340 1.00 0.00 H new ATOM 0 HG22 VAL A 497 -3.982 9.098 -7.118 1.00 0.00 H new ATOM 0 HG23 VAL A 497 -4.554 9.805 -8.648 1.00 0.00 H new ATOM 987 N GLN A 498 -9.098 9.356 -7.452 1.00 0.00 N ATOM 988 CA GLN A 498 -10.507 9.345 -7.045 1.00 0.00 C ATOM 989 C GLN A 498 -11.100 7.929 -7.065 1.00 0.00 C ATOM 990 O GLN A 498 -11.851 7.580 -6.156 1.00 0.00 O ATOM 991 CB GLN A 498 -11.293 10.284 -7.975 1.00 0.00 C ATOM 992 CG GLN A 498 -12.799 10.392 -7.667 1.00 0.00 C ATOM 993 CD GLN A 498 -13.107 10.878 -6.248 1.00 0.00 C ATOM 994 OE1 GLN A 498 -13.224 12.067 -5.976 1.00 0.00 O ATOM 995 NE2 GLN A 498 -13.248 9.984 -5.290 1.00 0.00 N ATOM 0 H GLN A 498 -8.926 9.831 -8.338 1.00 0.00 H new ATOM 0 HA GLN A 498 -10.580 9.695 -6.015 1.00 0.00 H new ATOM 0 HB2 GLN A 498 -10.853 11.280 -7.918 1.00 0.00 H new ATOM 0 HB3 GLN A 498 -11.171 9.940 -9.002 1.00 0.00 H new ATOM 0 HG2 GLN A 498 -13.258 11.074 -8.382 1.00 0.00 H new ATOM 0 HG3 GLN A 498 -13.261 9.416 -7.815 1.00 0.00 H new ATOM 0 HE21 GLN A 498 -13.153 8.991 -5.501 1.00 0.00 H new ATOM 0 HE22 GLN A 498 -13.452 10.285 -4.337 1.00 0.00 H new ATOM 1004 N ALA A 499 -10.741 7.098 -8.049 1.00 0.00 N ATOM 1005 CA ALA A 499 -11.136 5.685 -8.091 1.00 0.00 C ATOM 1006 C ALA A 499 -10.575 4.886 -6.901 1.00 0.00 C ATOM 1007 O ALA A 499 -11.280 4.043 -6.344 1.00 0.00 O ATOM 1008 CB ALA A 499 -10.685 5.067 -9.418 1.00 0.00 C ATOM 0 H ALA A 499 -10.167 7.387 -8.841 1.00 0.00 H new ATOM 0 HA ALA A 499 -12.222 5.638 -8.015 1.00 0.00 H new ATOM 0 HB1 ALA A 499 -10.978 4.018 -9.449 1.00 0.00 H new ATOM 0 HB2 ALA A 499 -11.154 5.600 -10.245 1.00 0.00 H new ATOM 0 HB3 ALA A 499 -9.601 5.143 -9.505 1.00 0.00 H new ATOM 1014 N LEU A 500 -9.338 5.183 -6.482 1.00 0.00 N ATOM 1015 CA LEU A 500 -8.748 4.637 -5.261 1.00 0.00 C ATOM 1016 C LEU A 500 -9.523 5.106 -4.020 1.00 0.00 C ATOM 1017 O LEU A 500 -9.924 4.277 -3.208 1.00 0.00 O ATOM 1018 CB LEU A 500 -7.248 4.990 -5.230 1.00 0.00 C ATOM 1019 CG LEU A 500 -6.518 4.683 -3.907 1.00 0.00 C ATOM 1020 CD1 LEU A 500 -6.656 3.224 -3.469 1.00 0.00 C ATOM 1021 CD2 LEU A 500 -5.026 5.004 -4.070 1.00 0.00 C ATOM 0 H LEU A 500 -8.717 5.814 -6.988 1.00 0.00 H new ATOM 0 HA LEU A 500 -8.826 3.550 -5.252 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -6.749 4.448 -6.034 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -7.139 6.053 -5.446 1.00 0.00 H new ATOM 0 HG LEU A 500 -6.981 5.302 -3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -6.120 3.073 -2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -7.710 2.985 -3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -6.236 2.573 -4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -4.504 4.789 -3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -4.608 4.393 -4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -4.906 6.058 -4.319 1.00 0.00 H new ATOM 1033 N ILE A 501 -9.801 6.408 -3.895 1.00 0.00 N ATOM 1034 CA ILE A 501 -10.601 6.983 -2.791 1.00 0.00 C ATOM 1035 C ILE A 501 -11.984 6.313 -2.693 1.00 0.00 C ATOM 1036 O ILE A 501 -12.424 5.969 -1.598 1.00 0.00 O ATOM 1037 CB ILE A 501 -10.711 8.522 -2.953 1.00 0.00 C ATOM 1038 CG1 ILE A 501 -9.340 9.200 -2.736 1.00 0.00 C ATOM 1039 CG2 ILE A 501 -11.741 9.118 -1.971 1.00 0.00 C ATOM 1040 CD1 ILE A 501 -9.244 10.634 -3.271 1.00 0.00 C ATOM 0 H ILE A 501 -9.476 7.107 -4.563 1.00 0.00 H new ATOM 0 HA ILE A 501 -10.089 6.782 -1.850 1.00 0.00 H new ATOM 0 HB ILE A 501 -11.047 8.715 -3.972 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -9.119 9.209 -1.669 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -8.571 8.595 -3.216 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -11.794 10.198 -2.110 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -12.721 8.679 -2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 501 -11.437 8.899 -0.947 1.00 0.00 H new ATOM 0 HD11 ILE A 501 -8.247 11.030 -3.075 1.00 0.00 H new ATOM 0 HD12 ILE A 501 -9.430 10.635 -4.345 1.00 0.00 H new ATOM 0 HD13 ILE A 501 -9.987 11.258 -2.774 1.00 0.00 H new ATOM 1052 N ASP A 502 -12.644 6.073 -3.829 1.00 0.00 N ATOM 1053 CA ASP A 502 -13.961 5.425 -3.910 1.00 0.00 C ATOM 1054 C ASP A 502 -13.940 3.928 -3.530 1.00 0.00 C ATOM 1055 O ASP A 502 -14.982 3.365 -3.187 1.00 0.00 O ATOM 1056 CB ASP A 502 -14.519 5.639 -5.328 1.00 0.00 C ATOM 1057 CG ASP A 502 -15.970 5.153 -5.477 1.00 0.00 C ATOM 1058 OD1 ASP A 502 -16.876 5.769 -4.864 1.00 0.00 O ATOM 1059 OD2 ASP A 502 -16.209 4.185 -6.238 1.00 0.00 O ATOM 0 H ASP A 502 -12.270 6.330 -4.743 1.00 0.00 H new ATOM 0 HA ASP A 502 -14.613 5.889 -3.170 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -14.468 6.699 -5.577 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -13.889 5.112 -6.045 1.00 0.00 H new ATOM 1064 N ALA A 503 -12.761 3.293 -3.534 1.00 0.00 N ATOM 1065 CA ALA A 503 -12.548 1.907 -3.105 1.00 0.00 C ATOM 1066 C ALA A 503 -11.999 1.787 -1.668 1.00 0.00 C ATOM 1067 O ALA A 503 -12.030 0.696 -1.092 1.00 0.00 O ATOM 1068 CB ALA A 503 -11.609 1.240 -4.117 1.00 0.00 C ATOM 0 H ALA A 503 -11.902 3.746 -3.846 1.00 0.00 H new ATOM 0 HA ALA A 503 -13.513 1.400 -3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -11.432 0.206 -3.823 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -12.065 1.263 -5.107 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -10.661 1.777 -4.142 1.00 0.00 H new ATOM 1074 N CYS A 504 -11.513 2.883 -1.076 1.00 0.00 N ATOM 1075 CA CYS A 504 -10.920 2.893 0.262 1.00 0.00 C ATOM 1076 C CYS A 504 -11.956 2.851 1.401 1.00 0.00 C ATOM 1077 O CYS A 504 -13.069 3.376 1.298 1.00 0.00 O ATOM 1078 CB CYS A 504 -10.049 4.149 0.431 1.00 0.00 C ATOM 1079 SG CYS A 504 -8.466 3.980 -0.435 1.00 0.00 S ATOM 0 H CYS A 504 -11.521 3.801 -1.521 1.00 0.00 H new ATOM 0 HA CYS A 504 -10.325 1.983 0.337 1.00 0.00 H new ATOM 0 HB2 CYS A 504 -10.584 5.018 0.048 1.00 0.00 H new ATOM 0 HB3 CYS A 504 -9.868 4.328 1.491 1.00 0.00 H new ATOM 0 HG CYS A 504 -8.660 4.075 -1.717 1.00 0.00 H new ATOM 1085 N LEU A 505 -11.530 2.259 2.517 1.00 0.00 N ATOM 1086 CA LEU A 505 -12.167 2.352 3.833 1.00 0.00 C ATOM 1087 C LEU A 505 -11.613 3.605 4.536 1.00 0.00 C ATOM 1088 O LEU A 505 -10.712 4.264 4.013 1.00 0.00 O ATOM 1089 CB LEU A 505 -11.872 1.070 4.642 1.00 0.00 C ATOM 1090 CG LEU A 505 -12.437 -0.222 4.023 1.00 0.00 C ATOM 1091 CD1 LEU A 505 -11.943 -1.434 4.825 1.00 0.00 C ATOM 1092 CD2 LEU A 505 -13.973 -0.225 3.975 1.00 0.00 C ATOM 0 H LEU A 505 -10.694 1.675 2.530 1.00 0.00 H new ATOM 0 HA LEU A 505 -13.250 2.440 3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 505 -10.792 0.964 4.749 1.00 0.00 H new ATOM 0 HB3 LEU A 505 -12.282 1.186 5.645 1.00 0.00 H new ATOM 0 HG LEU A 505 -12.079 -0.277 2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 505 -12.343 -2.348 4.386 1.00 0.00 H new ATOM 0 HD12 LEU A 505 -10.854 -1.467 4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 505 -12.281 -1.349 5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 505 -14.321 -1.157 3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 505 -14.369 -0.136 4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 505 -14.320 0.616 3.374 1.00 0.00 H new ATOM 1104 N GLU A 506 -12.115 3.929 5.725 1.00 0.00 N ATOM 1105 CA GLU A 506 -11.755 5.157 6.450 1.00 0.00 C ATOM 1106 C GLU A 506 -11.769 4.944 7.972 1.00 0.00 C ATOM 1107 O GLU A 506 -12.686 4.321 8.511 1.00 0.00 O ATOM 1108 CB GLU A 506 -12.706 6.293 6.030 1.00 0.00 C ATOM 1109 CG GLU A 506 -12.290 7.664 6.581 1.00 0.00 C ATOM 1110 CD GLU A 506 -13.279 8.752 6.138 1.00 0.00 C ATOM 1111 OE1 GLU A 506 -14.333 8.919 6.797 1.00 0.00 O ATOM 1112 OE2 GLU A 506 -13.010 9.453 5.133 1.00 0.00 O ATOM 0 H GLU A 506 -12.789 3.346 6.221 1.00 0.00 H new ATOM 0 HA GLU A 506 -10.734 5.433 6.187 1.00 0.00 H new ATOM 0 HB2 GLU A 506 -12.744 6.342 4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 506 -13.714 6.061 6.374 1.00 0.00 H new ATOM 0 HG2 GLU A 506 -12.248 7.626 7.670 1.00 0.00 H new ATOM 0 HG3 GLU A 506 -11.288 7.913 6.231 1.00 0.00 H new ATOM 1175 N LEU A 511 -7.337 6.976 5.126 1.00 0.00 N ATOM 1176 CA LEU A 511 -7.933 5.965 4.244 1.00 0.00 C ATOM 1177 C LEU A 511 -7.159 4.641 4.316 1.00 0.00 C ATOM 1178 O LEU A 511 -5.985 4.619 4.686 1.00 0.00 O ATOM 1179 CB LEU A 511 -8.002 6.510 2.803 1.00 0.00 C ATOM 1180 CG LEU A 511 -8.923 7.726 2.581 1.00 0.00 C ATOM 1181 CD1 LEU A 511 -8.817 8.174 1.116 1.00 0.00 C ATOM 1182 CD2 LEU A 511 -10.391 7.423 2.917 1.00 0.00 C ATOM 0 HA LEU A 511 -8.948 5.754 4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 511 -6.994 6.782 2.490 1.00 0.00 H new ATOM 0 HB3 LEU A 511 -8.333 5.705 2.147 1.00 0.00 H new ATOM 0 HG LEU A 511 -8.594 8.517 3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 511 -9.466 9.034 0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 511 -7.786 8.449 0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 511 -9.124 7.357 0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 511 -10.995 8.313 2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 511 -10.749 6.612 2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 511 -10.471 7.129 3.963 1.00 0.00 H new ATOM 1194 N TYR A 512 -7.805 3.532 3.944 1.00 0.00 N ATOM 1195 CA TYR A 512 -7.211 2.184 3.955 1.00 0.00 C ATOM 1196 C TYR A 512 -7.692 1.303 2.789 1.00 0.00 C ATOM 1197 O TYR A 512 -8.836 1.415 2.347 1.00 0.00 O ATOM 1198 CB TYR A 512 -7.469 1.480 5.303 1.00 0.00 C ATOM 1199 CG TYR A 512 -6.810 2.135 6.504 1.00 0.00 C ATOM 1200 CD1 TYR A 512 -7.448 3.195 7.179 1.00 0.00 C ATOM 1201 CD2 TYR A 512 -5.542 1.696 6.933 1.00 0.00 C ATOM 1202 CE1 TYR A 512 -6.803 3.848 8.247 1.00 0.00 C ATOM 1203 CE2 TYR A 512 -4.900 2.330 8.013 1.00 0.00 C ATOM 1204 CZ TYR A 512 -5.523 3.420 8.663 1.00 0.00 C ATOM 1205 OH TYR A 512 -4.880 4.053 9.684 1.00 0.00 O ATOM 0 H TYR A 512 -8.772 3.542 3.621 1.00 0.00 H new ATOM 0 HA TYR A 512 -6.138 2.322 3.823 1.00 0.00 H new ATOM 0 HB2 TYR A 512 -8.545 1.439 5.475 1.00 0.00 H new ATOM 0 HB3 TYR A 512 -7.118 0.450 5.231 1.00 0.00 H new ATOM 0 HD1 TYR A 512 -8.436 3.508 6.876 1.00 0.00 H new ATOM 0 HD2 TYR A 512 -5.061 0.870 6.431 1.00 0.00 H new ATOM 0 HE1 TYR A 512 -7.286 4.674 8.747 1.00 0.00 H new ATOM 0 HE2 TYR A 512 -3.932 1.984 8.345 1.00 0.00 H new ATOM 0 HH TYR A 512 -4.299 3.416 10.150 1.00 0.00 H new ATOM 1215 N LEU A 513 -6.833 0.392 2.322 1.00 0.00 N ATOM 1216 CA LEU A 513 -7.098 -0.559 1.232 1.00 0.00 C ATOM 1217 C LEU A 513 -6.477 -1.927 1.564 1.00 0.00 C ATOM 1218 O LEU A 513 -5.590 -2.006 2.414 1.00 0.00 O ATOM 1219 CB LEU A 513 -6.504 0.015 -0.073 1.00 0.00 C ATOM 1220 CG LEU A 513 -7.158 -0.528 -1.358 1.00 0.00 C ATOM 1221 CD1 LEU A 513 -8.473 0.217 -1.633 1.00 0.00 C ATOM 1222 CD2 LEU A 513 -6.228 -0.354 -2.558 1.00 0.00 C ATOM 0 H LEU A 513 -5.894 0.291 2.708 1.00 0.00 H new ATOM 0 HA LEU A 513 -8.171 -0.702 1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -6.605 1.100 -0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 513 -5.437 -0.206 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 513 -7.356 -1.590 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -8.929 -0.173 -2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -9.155 0.073 -0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 513 -8.270 1.281 -1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -6.712 -0.745 -3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -6.008 0.704 -2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -5.300 -0.897 -2.381 1.00 0.00 H new ATOM 1234 N CYS A 514 -6.910 -2.996 0.890 1.00 0.00 N ATOM 1235 CA CYS A 514 -6.372 -4.354 1.027 1.00 0.00 C ATOM 1236 C CYS A 514 -5.343 -4.701 -0.076 1.00 0.00 C ATOM 1237 O CYS A 514 -5.530 -4.343 -1.242 1.00 0.00 O ATOM 1238 CB CYS A 514 -7.556 -5.337 1.066 1.00 0.00 C ATOM 1239 SG CYS A 514 -8.601 -5.178 -0.418 1.00 0.00 S ATOM 0 H CYS A 514 -7.670 -2.939 0.212 1.00 0.00 H new ATOM 0 HA CYS A 514 -5.810 -4.429 1.958 1.00 0.00 H new ATOM 0 HB2 CYS A 514 -7.181 -6.358 1.141 1.00 0.00 H new ATOM 0 HB3 CYS A 514 -8.156 -5.151 1.957 1.00 0.00 H new ATOM 0 HG CYS A 514 -7.867 -4.817 -1.429 1.00 0.00 H new ATOM 1245 N VAL A 515 -4.276 -5.420 0.292 1.00 0.00 N ATOM 1246 CA VAL A 515 -3.210 -5.943 -0.597 1.00 0.00 C ATOM 1247 C VAL A 515 -2.681 -7.293 -0.075 1.00 0.00 C ATOM 1248 O VAL A 515 -3.005 -7.686 1.042 1.00 0.00 O ATOM 1249 CB VAL A 515 -2.035 -4.945 -0.783 1.00 0.00 C ATOM 1250 CG1 VAL A 515 -2.472 -3.619 -1.427 1.00 0.00 C ATOM 1251 CG2 VAL A 515 -1.290 -4.652 0.530 1.00 0.00 C ATOM 0 H VAL A 515 -4.116 -5.671 1.268 1.00 0.00 H new ATOM 0 HA VAL A 515 -3.666 -6.086 -1.576 1.00 0.00 H new ATOM 0 HB VAL A 515 -1.351 -5.449 -1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -1.608 -2.963 -1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -2.899 -3.815 -2.410 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -3.219 -3.137 -0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 515 -0.479 -3.949 0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -1.982 -4.220 1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -0.879 -5.579 0.930 1.00 0.00 H new ATOM 1261 N SER A 516 -1.864 -8.006 -0.856 1.00 0.00 N ATOM 1262 CA SER A 516 -1.302 -9.326 -0.498 1.00 0.00 C ATOM 1263 C SER A 516 0.094 -9.570 -1.116 1.00 0.00 C ATOM 1264 O SER A 516 0.552 -8.833 -1.990 1.00 0.00 O ATOM 1265 CB SER A 516 -2.258 -10.460 -0.918 1.00 0.00 C ATOM 1266 OG SER A 516 -3.503 -10.413 -0.233 1.00 0.00 O ATOM 0 H SER A 516 -1.564 -7.681 -1.775 1.00 0.00 H new ATOM 0 HA SER A 516 -1.187 -9.325 0.586 1.00 0.00 H new ATOM 0 HB2 SER A 516 -2.437 -10.399 -1.992 1.00 0.00 H new ATOM 0 HB3 SER A 516 -1.780 -11.421 -0.728 1.00 0.00 H new ATOM 0 HG SER A 516 -4.072 -11.151 -0.537 1.00 0.00 H new ATOM 1272 N SER A 517 0.768 -10.629 -0.667 1.00 0.00 N ATOM 1273 CA SER A 517 2.131 -11.053 -1.027 1.00 0.00 C ATOM 1274 C SER A 517 2.248 -12.597 -0.887 1.00 0.00 C ATOM 1275 O SER A 517 1.278 -13.226 -0.437 1.00 0.00 O ATOM 1276 CB SER A 517 3.124 -10.312 -0.111 1.00 0.00 C ATOM 1277 OG SER A 517 4.258 -9.864 -0.834 1.00 0.00 O ATOM 0 H SER A 517 0.347 -11.265 0.010 1.00 0.00 H new ATOM 0 HA SER A 517 2.361 -10.803 -2.063 1.00 0.00 H new ATOM 0 HB2 SER A 517 2.627 -9.460 0.354 1.00 0.00 H new ATOM 0 HB3 SER A 517 3.442 -10.974 0.694 1.00 0.00 H new ATOM 0 HG SER A 517 4.869 -9.396 -0.227 1.00 0.00 H new ATOM 1283 N PRO A 518 3.375 -13.259 -1.234 1.00 0.00 N ATOM 1284 CA PRO A 518 3.484 -14.724 -1.217 1.00 0.00 C ATOM 1285 C PRO A 518 3.183 -15.383 0.140 1.00 0.00 C ATOM 1286 O PRO A 518 2.635 -16.485 0.164 1.00 0.00 O ATOM 1287 CB PRO A 518 4.910 -15.042 -1.679 1.00 0.00 C ATOM 1288 CG PRO A 518 5.253 -13.853 -2.570 1.00 0.00 C ATOM 1289 CD PRO A 518 4.570 -12.698 -1.845 1.00 0.00 C ATOM 0 HA PRO A 518 2.721 -15.141 -1.874 1.00 0.00 H new ATOM 0 HB2 PRO A 518 5.598 -15.128 -0.838 1.00 0.00 H new ATOM 0 HB3 PRO A 518 4.957 -15.984 -2.226 1.00 0.00 H new ATOM 0 HG2 PRO A 518 6.330 -13.703 -2.651 1.00 0.00 H new ATOM 0 HG3 PRO A 518 4.871 -13.980 -3.583 1.00 0.00 H new ATOM 0 HD2 PRO A 518 5.228 -12.267 -1.091 1.00 0.00 H new ATOM 0 HD3 PRO A 518 4.314 -11.898 -2.540 1.00 0.00 H new ATOM 1297 N THR A 519 3.492 -14.699 1.252 1.00 0.00 N ATOM 1298 CA THR A 519 3.361 -15.202 2.633 1.00 0.00 C ATOM 1299 C THR A 519 2.399 -14.388 3.505 1.00 0.00 C ATOM 1300 O THR A 519 2.200 -14.722 4.672 1.00 0.00 O ATOM 1301 CB THR A 519 4.747 -15.251 3.293 1.00 0.00 C ATOM 1302 OG1 THR A 519 5.350 -13.975 3.199 1.00 0.00 O ATOM 1303 CG2 THR A 519 5.657 -16.272 2.606 1.00 0.00 C ATOM 0 H THR A 519 3.853 -13.746 1.216 1.00 0.00 H new ATOM 0 HA THR A 519 2.929 -16.200 2.558 1.00 0.00 H new ATOM 0 HB THR A 519 4.616 -15.545 4.334 1.00 0.00 H new ATOM 0 HG1 THR A 519 6.235 -13.999 3.620 1.00 0.00 H new ATOM 0 HG21 THR A 519 6.630 -16.281 3.098 1.00 0.00 H new ATOM 0 HG22 THR A 519 5.207 -17.263 2.672 1.00 0.00 H new ATOM 0 HG23 THR A 519 5.783 -16.000 1.558 1.00 0.00 H new ATOM 1311 N ILE A 520 1.788 -13.337 2.952 1.00 0.00 N ATOM 1312 CA ILE A 520 0.968 -12.339 3.667 1.00 0.00 C ATOM 1313 C ILE A 520 -0.301 -12.065 2.860 1.00 0.00 C ATOM 1314 O ILE A 520 -0.232 -11.649 1.706 1.00 0.00 O ATOM 1315 CB ILE A 520 1.798 -11.049 3.885 1.00 0.00 C ATOM 1316 CG1 ILE A 520 3.045 -11.259 4.774 1.00 0.00 C ATOM 1317 CG2 ILE A 520 0.936 -9.900 4.437 1.00 0.00 C ATOM 1318 CD1 ILE A 520 2.775 -11.585 6.248 1.00 0.00 C ATOM 0 H ILE A 520 1.850 -13.145 1.952 1.00 0.00 H new ATOM 0 HA ILE A 520 0.675 -12.716 4.647 1.00 0.00 H new ATOM 0 HB ILE A 520 2.159 -10.772 2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 520 3.639 -12.067 4.347 1.00 0.00 H new ATOM 0 HG13 ILE A 520 3.655 -10.357 4.728 1.00 0.00 H new ATOM 0 HG21 ILE A 520 1.556 -9.014 4.576 1.00 0.00 H new ATOM 0 HG22 ILE A 520 0.135 -9.676 3.733 1.00 0.00 H new ATOM 0 HG23 ILE A 520 0.506 -10.195 5.394 1.00 0.00 H new ATOM 0 HD11 ILE A 520 3.722 -11.711 6.772 1.00 0.00 H new ATOM 0 HD12 ILE A 520 2.213 -10.770 6.704 1.00 0.00 H new ATOM 0 HD13 ILE A 520 2.197 -12.507 6.317 1.00 0.00 H new ATOM 1330 N LYS A 521 -1.463 -12.293 3.467 1.00 0.00 N ATOM 1331 CA LYS A 521 -2.760 -12.324 2.781 1.00 0.00 C ATOM 1332 C LYS A 521 -3.769 -11.348 3.412 1.00 0.00 C ATOM 1333 O LYS A 521 -3.907 -11.302 4.637 1.00 0.00 O ATOM 1334 CB LYS A 521 -3.286 -13.772 2.839 1.00 0.00 C ATOM 1335 CG LYS A 521 -2.343 -14.867 2.303 1.00 0.00 C ATOM 1336 CD LYS A 521 -1.907 -14.684 0.843 1.00 0.00 C ATOM 1337 CE LYS A 521 -0.929 -15.804 0.467 1.00 0.00 C ATOM 1338 NZ LYS A 521 -0.314 -15.571 -0.862 1.00 0.00 N ATOM 0 H LYS A 521 -1.535 -12.465 4.470 1.00 0.00 H new ATOM 0 HA LYS A 521 -2.632 -12.003 1.747 1.00 0.00 H new ATOM 0 HB2 LYS A 521 -3.527 -14.006 3.876 1.00 0.00 H new ATOM 0 HB3 LYS A 521 -4.219 -13.819 2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 521 -1.453 -14.900 2.932 1.00 0.00 H new ATOM 0 HG3 LYS A 521 -2.838 -15.833 2.401 1.00 0.00 H new ATOM 0 HD2 LYS A 521 -2.776 -14.707 0.185 1.00 0.00 H new ATOM 0 HD3 LYS A 521 -1.433 -13.711 0.711 1.00 0.00 H new ATOM 0 HE2 LYS A 521 -0.147 -15.873 1.223 1.00 0.00 H new ATOM 0 HE3 LYS A 521 -1.454 -16.759 0.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 521 0.248 -16.402 -1.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 521 -1.061 -15.412 -1.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 521 0.303 -14.735 -0.817 1.00 0.00 H new ATOM 1352 N ASP A 522 -4.474 -10.582 2.572 1.00 0.00 N ATOM 1353 CA ASP A 522 -5.555 -9.637 2.970 1.00 0.00 C ATOM 1354 C ASP A 522 -5.056 -8.531 3.931 1.00 0.00 C ATOM 1355 O ASP A 522 -5.789 -8.032 4.788 1.00 0.00 O ATOM 1356 CB ASP A 522 -6.762 -10.435 3.512 1.00 0.00 C ATOM 1357 CG ASP A 522 -8.045 -9.592 3.646 1.00 0.00 C ATOM 1358 OD1 ASP A 522 -8.387 -8.851 2.693 1.00 0.00 O ATOM 1359 OD2 ASP A 522 -8.737 -9.714 4.686 1.00 0.00 O ATOM 0 H ASP A 522 -4.313 -10.593 1.565 1.00 0.00 H new ATOM 0 HA ASP A 522 -5.889 -9.091 2.088 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -6.958 -11.278 2.849 1.00 0.00 H new ATOM 0 HB3 ASP A 522 -6.505 -10.849 4.487 1.00 0.00 H new ATOM 1364 N LYS A 523 -3.783 -8.141 3.798 1.00 0.00 N ATOM 1365 CA LYS A 523 -3.149 -7.077 4.580 1.00 0.00 C ATOM 1366 C LYS A 523 -3.834 -5.714 4.318 1.00 0.00 C ATOM 1367 O LYS A 523 -3.958 -5.331 3.145 1.00 0.00 O ATOM 1368 CB LYS A 523 -1.656 -7.023 4.196 1.00 0.00 C ATOM 1369 CG LYS A 523 -0.841 -5.960 4.955 1.00 0.00 C ATOM 1370 CD LYS A 523 -0.406 -6.409 6.357 1.00 0.00 C ATOM 1371 CE LYS A 523 0.459 -5.344 7.052 1.00 0.00 C ATOM 1372 NZ LYS A 523 -0.307 -4.122 7.426 1.00 0.00 N ATOM 0 H LYS A 523 -3.149 -8.570 3.124 1.00 0.00 H new ATOM 0 HA LYS A 523 -3.252 -7.289 5.644 1.00 0.00 H new ATOM 0 HB2 LYS A 523 -1.211 -8.002 4.377 1.00 0.00 H new ATOM 0 HB3 LYS A 523 -1.575 -6.829 3.126 1.00 0.00 H new ATOM 0 HG2 LYS A 523 0.045 -5.708 4.372 1.00 0.00 H new ATOM 0 HG3 LYS A 523 -1.436 -5.051 5.041 1.00 0.00 H new ATOM 0 HD2 LYS A 523 -1.288 -6.614 6.964 1.00 0.00 H new ATOM 0 HD3 LYS A 523 0.154 -7.341 6.283 1.00 0.00 H new ATOM 0 HE2 LYS A 523 0.905 -5.775 7.949 1.00 0.00 H new ATOM 0 HE3 LYS A 523 1.280 -5.063 6.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 523 0.355 -3.358 7.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 523 -0.900 -3.826 6.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 523 -0.911 -4.329 8.247 1.00 0.00 H new ATOM 1386 N PRO A 524 -4.222 -4.958 5.366 1.00 0.00 N ATOM 1387 CA PRO A 524 -4.665 -3.580 5.233 1.00 0.00 C ATOM 1388 C PRO A 524 -3.441 -2.665 5.134 1.00 0.00 C ATOM 1389 O PRO A 524 -2.467 -2.830 5.869 1.00 0.00 O ATOM 1390 CB PRO A 524 -5.496 -3.287 6.483 1.00 0.00 C ATOM 1391 CG PRO A 524 -4.876 -4.192 7.549 1.00 0.00 C ATOM 1392 CD PRO A 524 -4.244 -5.349 6.769 1.00 0.00 C ATOM 0 HA PRO A 524 -5.261 -3.411 4.336 1.00 0.00 H new ATOM 0 HB2 PRO A 524 -5.437 -2.236 6.766 1.00 0.00 H new ATOM 0 HB3 PRO A 524 -6.550 -3.516 6.326 1.00 0.00 H new ATOM 0 HG2 PRO A 524 -4.129 -3.657 8.135 1.00 0.00 H new ATOM 0 HG3 PRO A 524 -5.631 -4.553 8.248 1.00 0.00 H new ATOM 0 HD2 PRO A 524 -3.235 -5.550 7.129 1.00 0.00 H new ATOM 0 HD3 PRO A 524 -4.819 -6.265 6.905 1.00 0.00 H new ATOM 1400 N VAL A 525 -3.504 -1.690 4.230 1.00 0.00 N ATOM 1401 CA VAL A 525 -2.478 -0.659 4.022 1.00 0.00 C ATOM 1402 C VAL A 525 -3.108 0.729 4.074 1.00 0.00 C ATOM 1403 O VAL A 525 -4.207 0.938 3.562 1.00 0.00 O ATOM 1404 CB VAL A 525 -1.693 -0.861 2.706 1.00 0.00 C ATOM 1405 CG1 VAL A 525 -0.722 -2.037 2.870 1.00 0.00 C ATOM 1406 CG2 VAL A 525 -2.575 -1.082 1.462 1.00 0.00 C ATOM 0 H VAL A 525 -4.298 -1.589 3.597 1.00 0.00 H new ATOM 0 HA VAL A 525 -1.755 -0.752 4.832 1.00 0.00 H new ATOM 0 HB VAL A 525 -1.158 0.071 2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -0.167 -2.182 1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -0.026 -1.823 3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -1.283 -2.942 3.102 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -1.941 -1.214 0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -3.188 -1.972 1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -3.221 -0.216 1.315 1.00 0.00 H new ATOM 1416 N GLN A 526 -2.422 1.660 4.735 1.00 0.00 N ATOM 1417 CA GLN A 526 -2.863 3.037 4.942 1.00 0.00 C ATOM 1418 C GLN A 526 -2.610 3.852 3.671 1.00 0.00 C ATOM 1419 O GLN A 526 -1.493 3.868 3.163 1.00 0.00 O ATOM 1420 CB GLN A 526 -2.097 3.620 6.140 1.00 0.00 C ATOM 1421 CG GLN A 526 -2.626 4.999 6.561 1.00 0.00 C ATOM 1422 CD GLN A 526 -1.815 5.559 7.728 1.00 0.00 C ATOM 1423 OE1 GLN A 526 -0.900 6.355 7.559 1.00 0.00 O ATOM 1424 NE2 GLN A 526 -2.107 5.169 8.953 1.00 0.00 N ATOM 0 H GLN A 526 -1.513 1.469 5.155 1.00 0.00 H new ATOM 0 HA GLN A 526 -3.931 3.071 5.155 1.00 0.00 H new ATOM 0 HB2 GLN A 526 -2.170 2.933 6.983 1.00 0.00 H new ATOM 0 HB3 GLN A 526 -1.040 3.702 5.887 1.00 0.00 H new ATOM 0 HG2 GLN A 526 -2.577 5.686 5.716 1.00 0.00 H new ATOM 0 HG3 GLN A 526 -3.675 4.919 6.847 1.00 0.00 H new ATOM 0 HE21 GLN A 526 -2.866 4.506 9.110 1.00 0.00 H new ATOM 0 HE22 GLN A 526 -1.573 5.530 9.744 1.00 0.00 H new ATOM 1433 N ILE A 527 -3.635 4.539 3.172 1.00 0.00 N ATOM 1434 CA ILE A 527 -3.619 5.311 1.923 1.00 0.00 C ATOM 1435 C ILE A 527 -3.738 6.800 2.265 1.00 0.00 C ATOM 1436 O ILE A 527 -4.596 7.195 3.059 1.00 0.00 O ATOM 1437 CB ILE A 527 -4.786 4.859 1.007 1.00 0.00 C ATOM 1438 CG1 ILE A 527 -4.873 3.332 0.800 1.00 0.00 C ATOM 1439 CG2 ILE A 527 -4.733 5.562 -0.360 1.00 0.00 C ATOM 1440 CD1 ILE A 527 -3.620 2.672 0.219 1.00 0.00 C ATOM 0 H ILE A 527 -4.539 4.577 3.643 1.00 0.00 H new ATOM 0 HA ILE A 527 -2.686 5.140 1.387 1.00 0.00 H new ATOM 0 HB ILE A 527 -5.688 5.157 1.541 1.00 0.00 H new ATOM 0 HG12 ILE A 527 -5.096 2.865 1.759 1.00 0.00 H new ATOM 0 HG13 ILE A 527 -5.713 3.120 0.139 1.00 0.00 H new ATOM 0 HG21 ILE A 527 -5.565 5.222 -0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 527 -4.804 6.640 -0.218 1.00 0.00 H new ATOM 0 HG23 ILE A 527 -3.792 5.323 -0.856 1.00 0.00 H new ATOM 0 HD11 ILE A 527 -3.788 1.600 0.115 1.00 0.00 H new ATOM 0 HD12 ILE A 527 -3.402 3.102 -0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 527 -2.776 2.843 0.887 1.00 0.00 H new ATOM 1452 N ARG A 528 -2.886 7.632 1.662 1.00 0.00 N ATOM 1453 CA ARG A 528 -2.809 9.075 1.922 1.00 0.00 C ATOM 1454 C ARG A 528 -2.558 9.837 0.606 1.00 0.00 C ATOM 1455 O ARG A 528 -1.397 9.987 0.211 1.00 0.00 O ATOM 1456 CB ARG A 528 -1.705 9.349 2.961 1.00 0.00 C ATOM 1457 CG ARG A 528 -2.084 8.957 4.400 1.00 0.00 C ATOM 1458 CD ARG A 528 -0.914 9.118 5.380 1.00 0.00 C ATOM 1459 NE ARG A 528 -0.389 10.496 5.384 1.00 0.00 N ATOM 1460 CZ ARG A 528 0.882 10.874 5.301 1.00 0.00 C ATOM 1461 NH1 ARG A 528 1.884 10.021 5.255 1.00 0.00 N ATOM 1462 NH2 ARG A 528 1.164 12.153 5.262 1.00 0.00 N ATOM 0 H ARG A 528 -2.214 7.316 0.963 1.00 0.00 H new ATOM 0 HA ARG A 528 -3.755 9.430 2.330 1.00 0.00 H new ATOM 0 HB2 ARG A 528 -0.806 8.804 2.672 1.00 0.00 H new ATOM 0 HB3 ARG A 528 -1.455 10.410 2.939 1.00 0.00 H new ATOM 0 HG2 ARG A 528 -2.920 9.572 4.733 1.00 0.00 H new ATOM 0 HG3 ARG A 528 -2.425 7.922 4.413 1.00 0.00 H new ATOM 0 HD2 ARG A 528 -1.242 8.851 6.385 1.00 0.00 H new ATOM 0 HD3 ARG A 528 -0.116 8.426 5.111 1.00 0.00 H new ATOM 0 HE ARG A 528 -1.079 11.243 5.459 1.00 0.00 H new ATOM 0 HH11 ARG A 528 1.701 9.018 5.283 1.00 0.00 H new ATOM 0 HH12 ARG A 528 2.843 10.363 5.191 1.00 0.00 H new ATOM 0 HH21 ARG A 528 0.413 12.842 5.295 1.00 0.00 H new ATOM 0 HH22 ARG A 528 2.135 12.459 5.198 1.00 0.00 H new ATOM 1476 N PRO A 529 -3.622 10.295 -0.089 1.00 0.00 N ATOM 1477 CA PRO A 529 -3.508 11.142 -1.274 1.00 0.00 C ATOM 1478 C PRO A 529 -2.739 12.427 -0.953 1.00 0.00 C ATOM 1479 O PRO A 529 -2.987 13.063 0.073 1.00 0.00 O ATOM 1480 CB PRO A 529 -4.945 11.423 -1.731 1.00 0.00 C ATOM 1481 CG PRO A 529 -5.730 10.236 -1.175 1.00 0.00 C ATOM 1482 CD PRO A 529 -5.021 9.967 0.150 1.00 0.00 C ATOM 0 HA PRO A 529 -2.944 10.655 -2.069 1.00 0.00 H new ATOM 0 HB2 PRO A 529 -5.315 12.370 -1.337 1.00 0.00 H new ATOM 0 HB3 PRO A 529 -5.018 11.480 -2.817 1.00 0.00 H new ATOM 0 HG2 PRO A 529 -6.783 10.477 -1.031 1.00 0.00 H new ATOM 0 HG3 PRO A 529 -5.689 9.374 -1.841 1.00 0.00 H new ATOM 0 HD2 PRO A 529 -5.437 10.579 0.950 1.00 0.00 H new ATOM 0 HD3 PRO A 529 -5.135 8.926 0.453 1.00 0.00 H new ATOM 1490 N TRP A 530 -1.780 12.790 -1.809 1.00 0.00 N ATOM 1491 CA TRP A 530 -0.822 13.863 -1.532 1.00 0.00 C ATOM 1492 C TRP A 530 -1.353 15.267 -1.874 1.00 0.00 C ATOM 1493 O TRP A 530 -2.249 15.440 -2.706 1.00 0.00 O ATOM 1494 CB TRP A 530 0.487 13.553 -2.266 1.00 0.00 C ATOM 1495 CG TRP A 530 1.683 14.314 -1.785 1.00 0.00 C ATOM 1496 CD1 TRP A 530 2.226 15.399 -2.381 1.00 0.00 C ATOM 1497 CD2 TRP A 530 2.494 14.061 -0.597 1.00 0.00 C ATOM 1498 NE1 TRP A 530 3.316 15.832 -1.651 1.00 0.00 N ATOM 1499 CE2 TRP A 530 3.531 15.039 -0.541 1.00 0.00 C ATOM 1500 CE3 TRP A 530 2.457 13.102 0.440 1.00 0.00 C ATOM 1501 CZ2 TRP A 530 4.489 15.061 0.484 1.00 0.00 C ATOM 1502 CZ3 TRP A 530 3.412 13.116 1.476 1.00 0.00 C ATOM 1503 CH2 TRP A 530 4.429 14.088 1.496 1.00 0.00 C ATOM 0 H TRP A 530 -1.646 12.346 -2.717 1.00 0.00 H new ATOM 0 HA TRP A 530 -0.647 13.891 -0.456 1.00 0.00 H new ATOM 0 HB2 TRP A 530 0.693 12.487 -2.173 1.00 0.00 H new ATOM 0 HB3 TRP A 530 0.348 13.759 -3.327 1.00 0.00 H new ATOM 0 HD1 TRP A 530 1.863 15.857 -3.289 1.00 0.00 H new ATOM 0 HE1 TRP A 530 3.890 16.637 -1.901 1.00 0.00 H new ATOM 0 HE3 TRP A 530 1.685 12.347 0.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 530 5.262 15.815 0.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 530 3.363 12.375 2.260 1.00 0.00 H new ATOM 0 HH2 TRP A 530 5.163 14.086 2.288 1.00 0.00 H new