USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 571 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 517 SER OG : rot 180:sc= 0.42 USER MOD Set 1.2: A 519 THR OG1 : rot 180:sc= 0 USER MOD Single : A 442 LYS NZ :NH3+ -142:sc= 0.521 (180deg=0.0426) USER MOD Single : A 458 THR OG1 : rot 65:sc= 1.2 USER MOD Single : A 460 SER OG : rot 66:sc= 1.21 USER MOD Single : A 486 TYR OH : rot 180:sc= 0 USER MOD Single : A 492 GLN : amide:sc= -0.0131 X(o=-0.013,f=-0.41) USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD Single : A 496 SER OG : rot -77:sc= 0.314 USER MOD Single : A 498 GLN : amide:sc= 0.414 X(o=0.41,f=-0.021) USER MOD Single : A 504 CYS SG : rot 71:sc= 0.62 USER MOD Single : A 512 TYR OH : rot 180:sc= 0 USER MOD Single : A 514 CYS SG : rot 180:sc= 0.15 USER MOD Single : A 516 SER OG : rot 180:sc= 0.564 USER MOD Single : A 521 LYS NZ :NH3+ -167:sc= 1.11 (180deg=0.988) USER MOD Single : A 523 LYS NZ :NH3+ 170:sc= 1.51 (180deg=1.39) USER MOD Single : A 526 GLN : amide:sc= 0.626 K(o=0.63,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 79 N ARG A 441 -1.599 13.571 -8.560 1.00 0.00 N ATOM 80 CA ARG A 441 -1.552 12.152 -8.949 1.00 0.00 C ATOM 81 C ARG A 441 -0.623 11.318 -8.050 1.00 0.00 C ATOM 82 O ARG A 441 -0.528 10.102 -8.217 1.00 0.00 O ATOM 83 CB ARG A 441 -1.153 12.013 -10.424 1.00 0.00 C ATOM 84 CG ARG A 441 -2.073 12.829 -11.347 1.00 0.00 C ATOM 85 CD ARG A 441 -1.962 12.427 -12.819 1.00 0.00 C ATOM 86 NE ARG A 441 -0.574 12.464 -13.315 1.00 0.00 N ATOM 87 CZ ARG A 441 0.076 13.500 -13.831 1.00 0.00 C ATOM 88 NH1 ARG A 441 -0.477 14.690 -13.947 1.00 0.00 N ATOM 89 NH2 ARG A 441 1.316 13.348 -14.240 1.00 0.00 N ATOM 0 HA ARG A 441 -2.557 11.752 -8.813 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -0.123 12.344 -10.554 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -1.189 10.962 -10.712 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -3.106 12.706 -11.021 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -1.831 13.887 -11.247 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.363 11.422 -12.948 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.577 13.096 -13.422 1.00 0.00 H new ATOM 0 HE ARG A 441 -0.051 11.590 -13.254 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -1.437 14.839 -13.635 1.00 0.00 H new ATOM 0 HH12 ARG A 441 0.054 15.462 -14.349 1.00 0.00 H new ATOM 0 HH21 ARG A 441 1.772 12.439 -14.160 1.00 0.00 H new ATOM 0 HH22 ARG A 441 1.822 14.139 -14.638 1.00 0.00 H new ATOM 103 N LYS A 442 0.073 11.957 -7.104 1.00 0.00 N ATOM 104 CA LYS A 442 0.930 11.313 -6.103 1.00 0.00 C ATOM 105 C LYS A 442 0.099 10.793 -4.911 1.00 0.00 C ATOM 106 O LYS A 442 -0.746 11.518 -4.385 1.00 0.00 O ATOM 107 CB LYS A 442 2.003 12.336 -5.684 1.00 0.00 C ATOM 108 CG LYS A 442 3.010 11.805 -4.650 1.00 0.00 C ATOM 109 CD LYS A 442 4.086 12.864 -4.370 1.00 0.00 C ATOM 110 CE LYS A 442 5.063 12.372 -3.294 1.00 0.00 C ATOM 111 NZ LYS A 442 6.081 13.401 -2.957 1.00 0.00 N ATOM 0 H LYS A 442 0.054 12.973 -7.011 1.00 0.00 H new ATOM 0 HA LYS A 442 1.420 10.433 -6.519 1.00 0.00 H new ATOM 0 HB2 LYS A 442 2.547 12.659 -6.571 1.00 0.00 H new ATOM 0 HB3 LYS A 442 1.509 13.217 -5.274 1.00 0.00 H new ATOM 0 HG2 LYS A 442 2.493 11.548 -3.726 1.00 0.00 H new ATOM 0 HG3 LYS A 442 3.475 10.891 -5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 442 4.630 13.088 -5.287 1.00 0.00 H new ATOM 0 HD3 LYS A 442 3.615 13.791 -4.044 1.00 0.00 H new ATOM 0 HE2 LYS A 442 4.508 12.103 -2.395 1.00 0.00 H new ATOM 0 HE3 LYS A 442 5.562 11.468 -3.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 6.999 12.941 -2.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 6.166 14.076 -3.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 5.791 13.908 -2.096 1.00 0.00 H new ATOM 125 N VAL A 443 0.350 9.560 -4.463 1.00 0.00 N ATOM 126 CA VAL A 443 -0.319 8.945 -3.296 1.00 0.00 C ATOM 127 C VAL A 443 0.683 8.123 -2.484 1.00 0.00 C ATOM 128 O VAL A 443 1.269 7.178 -3.003 1.00 0.00 O ATOM 129 CB VAL A 443 -1.509 8.043 -3.717 1.00 0.00 C ATOM 130 CG1 VAL A 443 -2.230 7.461 -2.489 1.00 0.00 C ATOM 131 CG2 VAL A 443 -2.541 8.779 -4.586 1.00 0.00 C ATOM 0 H VAL A 443 1.034 8.945 -4.903 1.00 0.00 H new ATOM 0 HA VAL A 443 -0.712 9.757 -2.684 1.00 0.00 H new ATOM 0 HB VAL A 443 -1.070 7.241 -4.310 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -3.059 6.834 -2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -1.530 6.862 -1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -2.613 8.274 -1.872 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -3.349 8.096 -4.848 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -2.947 9.625 -4.031 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -2.060 9.139 -5.496 1.00 0.00 H new ATOM 141 N PHE A 444 0.867 8.458 -1.205 1.00 0.00 N ATOM 142 CA PHE A 444 1.654 7.660 -0.261 1.00 0.00 C ATOM 143 C PHE A 444 0.870 6.407 0.170 1.00 0.00 C ATOM 144 O PHE A 444 -0.332 6.484 0.430 1.00 0.00 O ATOM 145 CB PHE A 444 2.018 8.544 0.943 1.00 0.00 C ATOM 146 CG PHE A 444 2.701 7.834 2.103 1.00 0.00 C ATOM 147 CD1 PHE A 444 1.945 7.103 3.042 1.00 0.00 C ATOM 148 CD2 PHE A 444 4.097 7.928 2.268 1.00 0.00 C ATOM 149 CE1 PHE A 444 2.574 6.479 4.133 1.00 0.00 C ATOM 150 CE2 PHE A 444 4.724 7.315 3.366 1.00 0.00 C ATOM 151 CZ PHE A 444 3.965 6.586 4.297 1.00 0.00 C ATOM 0 H PHE A 444 0.469 9.301 -0.790 1.00 0.00 H new ATOM 0 HA PHE A 444 2.572 7.313 -0.736 1.00 0.00 H new ATOM 0 HB2 PHE A 444 2.671 9.346 0.597 1.00 0.00 H new ATOM 0 HB3 PHE A 444 1.107 9.013 1.314 1.00 0.00 H new ATOM 0 HD1 PHE A 444 0.875 7.022 2.922 1.00 0.00 H new ATOM 0 HD2 PHE A 444 4.688 8.474 1.547 1.00 0.00 H new ATOM 0 HE1 PHE A 444 1.988 5.917 4.845 1.00 0.00 H new ATOM 0 HE2 PHE A 444 5.793 7.404 3.495 1.00 0.00 H new ATOM 0 HZ PHE A 444 4.450 6.109 5.136 1.00 0.00 H new ATOM 161 N VAL A 445 1.565 5.272 0.294 1.00 0.00 N ATOM 162 CA VAL A 445 1.029 3.999 0.804 1.00 0.00 C ATOM 163 C VAL A 445 1.971 3.446 1.869 1.00 0.00 C ATOM 164 O VAL A 445 3.140 3.198 1.573 1.00 0.00 O ATOM 165 CB VAL A 445 0.847 2.957 -0.319 1.00 0.00 C ATOM 166 CG1 VAL A 445 0.288 1.622 0.209 1.00 0.00 C ATOM 167 CG2 VAL A 445 -0.093 3.494 -1.400 1.00 0.00 C ATOM 0 H VAL A 445 2.549 5.208 0.034 1.00 0.00 H new ATOM 0 HA VAL A 445 0.046 4.196 1.232 1.00 0.00 H new ATOM 0 HB VAL A 445 1.836 2.773 -0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 445 0.177 0.921 -0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 445 0.974 1.207 0.947 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.684 1.792 0.672 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -0.210 2.746 -2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -1.066 3.714 -0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 445 0.326 4.405 -1.827 1.00 0.00 H new ATOM 177 N GLY A 446 1.464 3.255 3.091 1.00 0.00 N ATOM 178 CA GLY A 446 2.233 2.796 4.257 1.00 0.00 C ATOM 179 C GLY A 446 1.751 1.465 4.832 1.00 0.00 C ATOM 180 O GLY A 446 0.554 1.172 4.840 1.00 0.00 O ATOM 0 H GLY A 446 0.480 3.419 3.305 1.00 0.00 H new ATOM 0 HA2 GLY A 446 3.281 2.700 3.974 1.00 0.00 H new ATOM 0 HA3 GLY A 446 2.182 3.557 5.036 1.00 0.00 H new ATOM 184 N GLY A 447 2.692 0.675 5.357 1.00 0.00 N ATOM 185 CA GLY A 447 2.441 -0.630 5.989 1.00 0.00 C ATOM 186 C GLY A 447 2.528 -1.815 5.023 1.00 0.00 C ATOM 187 O GLY A 447 1.907 -2.846 5.286 1.00 0.00 O ATOM 0 H GLY A 447 3.680 0.930 5.356 1.00 0.00 H new ATOM 0 HA2 GLY A 447 3.161 -0.777 6.794 1.00 0.00 H new ATOM 0 HA3 GLY A 447 1.451 -0.617 6.445 1.00 0.00 H new ATOM 191 N LEU A 448 3.256 -1.670 3.910 1.00 0.00 N ATOM 192 CA LEU A 448 3.457 -2.694 2.873 1.00 0.00 C ATOM 193 C LEU A 448 4.068 -3.993 3.460 1.00 0.00 C ATOM 194 O LEU A 448 4.885 -3.901 4.384 1.00 0.00 O ATOM 195 CB LEU A 448 4.378 -2.110 1.781 1.00 0.00 C ATOM 196 CG LEU A 448 3.777 -0.938 0.974 1.00 0.00 C ATOM 197 CD1 LEU A 448 4.859 -0.334 0.071 1.00 0.00 C ATOM 198 CD2 LEU A 448 2.596 -1.386 0.099 1.00 0.00 C ATOM 0 H LEU A 448 3.743 -0.800 3.696 1.00 0.00 H new ATOM 0 HA LEU A 448 2.490 -2.962 2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 448 5.302 -1.772 2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 448 4.646 -2.908 1.088 1.00 0.00 H new ATOM 0 HG LEU A 448 3.411 -0.201 1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 448 4.437 0.493 -0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 448 5.683 0.031 0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 448 5.228 -1.097 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 448 2.205 -0.530 -0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 448 2.933 -2.146 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 448 1.811 -1.800 0.732 1.00 0.00 H new ATOM 210 N PRO A 449 3.709 -5.187 2.933 1.00 0.00 N ATOM 211 CA PRO A 449 4.303 -6.470 3.322 1.00 0.00 C ATOM 212 C PRO A 449 5.845 -6.492 3.253 1.00 0.00 C ATOM 213 O PRO A 449 6.428 -5.742 2.468 1.00 0.00 O ATOM 214 CB PRO A 449 3.709 -7.507 2.361 1.00 0.00 C ATOM 215 CG PRO A 449 2.359 -6.915 1.976 1.00 0.00 C ATOM 216 CD PRO A 449 2.623 -5.412 1.981 1.00 0.00 C ATOM 0 HA PRO A 449 4.073 -6.676 4.367 1.00 0.00 H new ATOM 0 HB2 PRO A 449 4.345 -7.654 1.488 1.00 0.00 H new ATOM 0 HB3 PRO A 449 3.597 -8.479 2.841 1.00 0.00 H new ATOM 0 HG2 PRO A 449 2.031 -7.263 0.996 1.00 0.00 H new ATOM 0 HG3 PRO A 449 1.581 -7.190 2.688 1.00 0.00 H new ATOM 0 HD2 PRO A 449 2.900 -5.063 0.986 1.00 0.00 H new ATOM 0 HD3 PRO A 449 1.729 -4.862 2.274 1.00 0.00 H new ATOM 224 N PRO A 450 6.519 -7.373 4.022 1.00 0.00 N ATOM 225 CA PRO A 450 7.980 -7.485 4.047 1.00 0.00 C ATOM 226 C PRO A 450 8.560 -8.260 2.846 1.00 0.00 C ATOM 227 O PRO A 450 9.776 -8.439 2.768 1.00 0.00 O ATOM 228 CB PRO A 450 8.284 -8.187 5.375 1.00 0.00 C ATOM 229 CG PRO A 450 7.093 -9.128 5.538 1.00 0.00 C ATOM 230 CD PRO A 450 5.933 -8.304 4.978 1.00 0.00 C ATOM 0 HA PRO A 450 8.449 -6.504 3.968 1.00 0.00 H new ATOM 0 HB2 PRO A 450 9.228 -8.731 5.339 1.00 0.00 H new ATOM 0 HB3 PRO A 450 8.356 -7.479 6.200 1.00 0.00 H new ATOM 0 HG2 PRO A 450 7.233 -10.057 4.986 1.00 0.00 H new ATOM 0 HG3 PRO A 450 6.931 -9.398 6.581 1.00 0.00 H new ATOM 0 HD2 PRO A 450 5.197 -8.946 4.494 1.00 0.00 H new ATOM 0 HD3 PRO A 450 5.415 -7.769 5.774 1.00 0.00 H new ATOM 238 N ASP A 451 7.717 -8.722 1.914 1.00 0.00 N ATOM 239 CA ASP A 451 8.085 -9.568 0.768 1.00 0.00 C ATOM 240 C ASP A 451 7.318 -9.157 -0.507 1.00 0.00 C ATOM 241 O ASP A 451 6.755 -9.986 -1.224 1.00 0.00 O ATOM 242 CB ASP A 451 7.907 -11.050 1.154 1.00 0.00 C ATOM 243 CG ASP A 451 8.534 -12.024 0.138 1.00 0.00 C ATOM 244 OD1 ASP A 451 9.652 -11.751 -0.362 1.00 0.00 O ATOM 245 OD2 ASP A 451 7.932 -13.095 -0.117 1.00 0.00 O ATOM 0 H ASP A 451 6.720 -8.509 1.937 1.00 0.00 H new ATOM 0 HA ASP A 451 9.136 -9.422 0.520 1.00 0.00 H new ATOM 0 HB2 ASP A 451 8.355 -11.219 2.133 1.00 0.00 H new ATOM 0 HB3 ASP A 451 6.843 -11.269 1.248 1.00 0.00 H new ATOM 250 N ILE A 452 7.266 -7.846 -0.770 1.00 0.00 N ATOM 251 CA ILE A 452 6.615 -7.235 -1.942 1.00 0.00 C ATOM 252 C ILE A 452 7.584 -6.290 -2.676 1.00 0.00 C ATOM 253 O ILE A 452 8.444 -5.668 -2.053 1.00 0.00 O ATOM 254 CB ILE A 452 5.305 -6.536 -1.503 1.00 0.00 C ATOM 255 CG1 ILE A 452 4.369 -6.356 -2.711 1.00 0.00 C ATOM 256 CG2 ILE A 452 5.572 -5.191 -0.802 1.00 0.00 C ATOM 257 CD1 ILE A 452 2.970 -5.844 -2.359 1.00 0.00 C ATOM 0 H ILE A 452 7.690 -7.154 -0.152 1.00 0.00 H new ATOM 0 HA ILE A 452 6.347 -8.010 -2.660 1.00 0.00 H new ATOM 0 HB ILE A 452 4.815 -7.179 -0.772 1.00 0.00 H new ATOM 0 HG12 ILE A 452 4.831 -5.661 -3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 452 4.273 -7.312 -3.226 1.00 0.00 H new ATOM 0 HG21 ILE A 452 4.624 -4.737 -0.512 1.00 0.00 H new ATOM 0 HG22 ILE A 452 6.181 -5.358 0.086 1.00 0.00 H new ATOM 0 HG23 ILE A 452 6.100 -4.524 -1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 452 2.378 -5.747 -3.269 1.00 0.00 H new ATOM 0 HD12 ILE A 452 2.484 -6.548 -1.684 1.00 0.00 H new ATOM 0 HD13 ILE A 452 3.050 -4.872 -1.873 1.00 0.00 H new ATOM 269 N ASP A 453 7.450 -6.189 -3.998 1.00 0.00 N ATOM 270 CA ASP A 453 8.351 -5.449 -4.892 1.00 0.00 C ATOM 271 C ASP A 453 7.624 -4.389 -5.739 1.00 0.00 C ATOM 272 O ASP A 453 6.394 -4.339 -5.768 1.00 0.00 O ATOM 273 CB ASP A 453 9.116 -6.447 -5.777 1.00 0.00 C ATOM 274 CG ASP A 453 8.201 -7.253 -6.711 1.00 0.00 C ATOM 275 OD1 ASP A 453 7.652 -6.654 -7.663 1.00 0.00 O ATOM 276 OD2 ASP A 453 8.055 -8.478 -6.491 1.00 0.00 O ATOM 0 H ASP A 453 6.682 -6.636 -4.499 1.00 0.00 H new ATOM 0 HA ASP A 453 9.055 -4.893 -4.273 1.00 0.00 H new ATOM 0 HB2 ASP A 453 9.848 -5.905 -6.375 1.00 0.00 H new ATOM 0 HB3 ASP A 453 9.672 -7.136 -5.140 1.00 0.00 H new ATOM 281 N GLU A 454 8.392 -3.547 -6.440 1.00 0.00 N ATOM 282 CA GLU A 454 7.897 -2.422 -7.249 1.00 0.00 C ATOM 283 C GLU A 454 6.767 -2.803 -8.229 1.00 0.00 C ATOM 284 O GLU A 454 5.788 -2.067 -8.365 1.00 0.00 O ATOM 285 CB GLU A 454 9.081 -1.820 -8.029 1.00 0.00 C ATOM 286 CG GLU A 454 8.788 -0.421 -8.583 1.00 0.00 C ATOM 287 CD GLU A 454 9.996 0.109 -9.370 1.00 0.00 C ATOM 288 OE1 GLU A 454 10.978 0.566 -8.737 1.00 0.00 O ATOM 289 OE2 GLU A 454 9.976 0.062 -10.624 1.00 0.00 O ATOM 0 H GLU A 454 9.408 -3.631 -6.462 1.00 0.00 H new ATOM 0 HA GLU A 454 7.462 -1.698 -6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 454 9.951 -1.770 -7.375 1.00 0.00 H new ATOM 0 HB3 GLU A 454 9.340 -2.484 -8.854 1.00 0.00 H new ATOM 0 HG2 GLU A 454 7.912 -0.456 -9.230 1.00 0.00 H new ATOM 0 HG3 GLU A 454 8.553 0.259 -7.764 1.00 0.00 H new ATOM 296 N ASP A 455 6.866 -3.962 -8.887 1.00 0.00 N ATOM 297 CA ASP A 455 5.895 -4.424 -9.886 1.00 0.00 C ATOM 298 C ASP A 455 4.653 -5.062 -9.243 1.00 0.00 C ATOM 299 O ASP A 455 3.554 -4.935 -9.781 1.00 0.00 O ATOM 300 CB ASP A 455 6.586 -5.395 -10.854 1.00 0.00 C ATOM 301 CG ASP A 455 5.685 -5.770 -12.042 1.00 0.00 C ATOM 302 OD1 ASP A 455 5.427 -4.891 -12.900 1.00 0.00 O ATOM 303 OD2 ASP A 455 5.269 -6.949 -12.138 1.00 0.00 O ATOM 0 H ASP A 455 7.634 -4.616 -8.739 1.00 0.00 H new ATOM 0 HA ASP A 455 5.536 -3.557 -10.440 1.00 0.00 H new ATOM 0 HB2 ASP A 455 7.505 -4.942 -11.226 1.00 0.00 H new ATOM 0 HB3 ASP A 455 6.871 -6.299 -10.317 1.00 0.00 H new ATOM 308 N GLU A 456 4.797 -5.674 -8.063 1.00 0.00 N ATOM 309 CA GLU A 456 3.666 -6.131 -7.249 1.00 0.00 C ATOM 310 C GLU A 456 2.900 -4.958 -6.625 1.00 0.00 C ATOM 311 O GLU A 456 1.670 -4.983 -6.588 1.00 0.00 O ATOM 312 CB GLU A 456 4.138 -7.054 -6.121 1.00 0.00 C ATOM 313 CG GLU A 456 4.616 -8.430 -6.578 1.00 0.00 C ATOM 314 CD GLU A 456 3.458 -9.333 -7.033 1.00 0.00 C ATOM 315 OE1 GLU A 456 2.800 -9.956 -6.166 1.00 0.00 O ATOM 316 OE2 GLU A 456 3.214 -9.449 -8.257 1.00 0.00 O ATOM 0 H GLU A 456 5.706 -5.867 -7.644 1.00 0.00 H new ATOM 0 HA GLU A 456 3.002 -6.674 -7.922 1.00 0.00 H new ATOM 0 HB2 GLU A 456 4.949 -6.563 -5.584 1.00 0.00 H new ATOM 0 HB3 GLU A 456 3.321 -7.186 -5.412 1.00 0.00 H new ATOM 0 HG2 GLU A 456 5.324 -8.311 -7.398 1.00 0.00 H new ATOM 0 HG3 GLU A 456 5.152 -8.915 -5.762 1.00 0.00 H new ATOM 323 N ILE A 457 3.589 -3.905 -6.170 1.00 0.00 N ATOM 324 CA ILE A 457 2.940 -2.675 -5.684 1.00 0.00 C ATOM 325 C ILE A 457 2.225 -1.977 -6.850 1.00 0.00 C ATOM 326 O ILE A 457 1.099 -1.513 -6.676 1.00 0.00 O ATOM 327 CB ILE A 457 3.948 -1.738 -4.975 1.00 0.00 C ATOM 328 CG1 ILE A 457 4.633 -2.416 -3.763 1.00 0.00 C ATOM 329 CG2 ILE A 457 3.229 -0.466 -4.476 1.00 0.00 C ATOM 330 CD1 ILE A 457 5.951 -1.736 -3.371 1.00 0.00 C ATOM 0 H ILE A 457 4.608 -3.878 -6.127 1.00 0.00 H new ATOM 0 HA ILE A 457 2.196 -2.942 -4.934 1.00 0.00 H new ATOM 0 HB ILE A 457 4.713 -1.489 -5.710 1.00 0.00 H new ATOM 0 HG12 ILE A 457 3.953 -2.400 -2.911 1.00 0.00 H new ATOM 0 HG13 ILE A 457 4.825 -3.463 -3.998 1.00 0.00 H new ATOM 0 HG21 ILE A 457 3.947 0.186 -3.979 1.00 0.00 H new ATOM 0 HG22 ILE A 457 2.788 0.059 -5.323 1.00 0.00 H new ATOM 0 HG23 ILE A 457 2.444 -0.744 -3.773 1.00 0.00 H new ATOM 0 HD11 ILE A 457 6.387 -2.253 -2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 457 6.645 -1.775 -4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 457 5.759 -0.696 -3.107 1.00 0.00 H new ATOM 342 N THR A 458 2.816 -1.981 -8.054 1.00 0.00 N ATOM 343 CA THR A 458 2.161 -1.493 -9.277 1.00 0.00 C ATOM 344 C THR A 458 0.912 -2.308 -9.578 1.00 0.00 C ATOM 345 O THR A 458 -0.155 -1.724 -9.721 1.00 0.00 O ATOM 346 CB THR A 458 3.133 -1.478 -10.467 1.00 0.00 C ATOM 347 OG1 THR A 458 4.245 -0.669 -10.158 1.00 0.00 O ATOM 348 CG2 THR A 458 2.496 -0.899 -11.731 1.00 0.00 C ATOM 0 H THR A 458 3.764 -2.324 -8.207 1.00 0.00 H new ATOM 0 HA THR A 458 1.852 -0.462 -9.108 1.00 0.00 H new ATOM 0 HB THR A 458 3.419 -2.514 -10.651 1.00 0.00 H new ATOM 0 HG1 THR A 458 4.743 -1.068 -9.414 1.00 0.00 H new ATOM 0 HG21 THR A 458 3.223 -0.910 -12.543 1.00 0.00 H new ATOM 0 HG22 THR A 458 1.631 -1.500 -12.010 1.00 0.00 H new ATOM 0 HG23 THR A 458 2.179 0.127 -11.542 1.00 0.00 H new ATOM 356 N ALA A 459 0.994 -3.640 -9.608 1.00 0.00 N ATOM 357 CA ALA A 459 -0.165 -4.509 -9.839 1.00 0.00 C ATOM 358 C ALA A 459 -1.249 -4.365 -8.750 1.00 0.00 C ATOM 359 O ALA A 459 -2.439 -4.467 -9.046 1.00 0.00 O ATOM 360 CB ALA A 459 0.330 -5.955 -9.954 1.00 0.00 C ATOM 0 H ALA A 459 1.868 -4.149 -9.473 1.00 0.00 H new ATOM 0 HA ALA A 459 -0.649 -4.205 -10.767 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -0.518 -6.617 -10.126 1.00 0.00 H new ATOM 0 HB2 ALA A 459 1.028 -6.035 -10.787 1.00 0.00 H new ATOM 0 HB3 ALA A 459 0.833 -6.242 -9.030 1.00 0.00 H new ATOM 366 N SER A 460 -0.857 -4.059 -7.512 1.00 0.00 N ATOM 367 CA SER A 460 -1.772 -3.809 -6.387 1.00 0.00 C ATOM 368 C SER A 460 -2.582 -2.509 -6.515 1.00 0.00 C ATOM 369 O SER A 460 -3.582 -2.358 -5.810 1.00 0.00 O ATOM 370 CB SER A 460 -1.009 -3.802 -5.052 1.00 0.00 C ATOM 371 OG SER A 460 -0.389 -5.051 -4.788 1.00 0.00 O ATOM 0 H SER A 460 0.126 -3.975 -7.254 1.00 0.00 H new ATOM 0 HA SER A 460 -2.487 -4.632 -6.412 1.00 0.00 H new ATOM 0 HB2 SER A 460 -0.252 -3.018 -5.071 1.00 0.00 H new ATOM 0 HB3 SER A 460 -1.697 -3.560 -4.242 1.00 0.00 H new ATOM 0 HG SER A 460 0.314 -5.214 -5.451 1.00 0.00 H new ATOM 377 N PHE A 461 -2.214 -1.591 -7.424 1.00 0.00 N ATOM 378 CA PHE A 461 -2.956 -0.347 -7.678 1.00 0.00 C ATOM 379 C PHE A 461 -3.290 -0.122 -9.167 1.00 0.00 C ATOM 380 O PHE A 461 -4.047 0.793 -9.492 1.00 0.00 O ATOM 381 CB PHE A 461 -2.201 0.821 -7.027 1.00 0.00 C ATOM 382 CG PHE A 461 -2.256 0.809 -5.506 1.00 0.00 C ATOM 383 CD1 PHE A 461 -1.291 0.102 -4.763 1.00 0.00 C ATOM 384 CD2 PHE A 461 -3.266 1.514 -4.824 1.00 0.00 C ATOM 385 CE1 PHE A 461 -1.340 0.078 -3.359 1.00 0.00 C ATOM 386 CE2 PHE A 461 -3.299 1.517 -3.417 1.00 0.00 C ATOM 387 CZ PHE A 461 -2.347 0.787 -2.685 1.00 0.00 C ATOM 0 H PHE A 461 -1.384 -1.694 -8.009 1.00 0.00 H new ATOM 0 HA PHE A 461 -3.939 -0.423 -7.213 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -1.159 0.791 -7.345 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -2.618 1.760 -7.390 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -0.504 -0.428 -5.279 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -4.017 2.054 -5.382 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -0.606 -0.484 -2.800 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.059 2.082 -2.898 1.00 0.00 H new ATOM 0 HZ PHE A 461 -2.390 0.771 -1.606 1.00 0.00 H new ATOM 397 N ARG A 462 -2.841 -1.004 -10.072 1.00 0.00 N ATOM 398 CA ARG A 462 -3.170 -0.980 -11.508 1.00 0.00 C ATOM 399 C ARG A 462 -4.676 -1.122 -11.792 1.00 0.00 C ATOM 400 O ARG A 462 -5.150 -0.641 -12.824 1.00 0.00 O ATOM 401 CB ARG A 462 -2.339 -2.059 -12.237 1.00 0.00 C ATOM 402 CG ARG A 462 -2.522 -2.110 -13.765 1.00 0.00 C ATOM 403 CD ARG A 462 -2.164 -0.778 -14.440 1.00 0.00 C ATOM 404 NE ARG A 462 -2.485 -0.782 -15.877 1.00 0.00 N ATOM 405 CZ ARG A 462 -3.676 -0.566 -16.427 1.00 0.00 C ATOM 406 NH1 ARG A 462 -4.768 -0.388 -15.711 1.00 0.00 N ATOM 407 NH2 ARG A 462 -3.785 -0.527 -17.737 1.00 0.00 N ATOM 0 H ARG A 462 -2.222 -1.775 -9.820 1.00 0.00 H new ATOM 0 HA ARG A 462 -2.905 0.004 -11.896 1.00 0.00 H new ATOM 0 HB2 ARG A 462 -1.284 -1.890 -12.019 1.00 0.00 H new ATOM 0 HB3 ARG A 462 -2.598 -3.034 -11.824 1.00 0.00 H new ATOM 0 HG2 ARG A 462 -1.898 -2.903 -14.177 1.00 0.00 H new ATOM 0 HG3 ARG A 462 -3.556 -2.366 -13.996 1.00 0.00 H new ATOM 0 HD2 ARG A 462 -2.704 0.033 -13.951 1.00 0.00 H new ATOM 0 HD3 ARG A 462 -1.101 -0.579 -14.307 1.00 0.00 H new ATOM 0 HE ARG A 462 -1.713 -0.970 -16.517 1.00 0.00 H new ATOM 0 HH11 ARG A 462 -4.720 -0.413 -14.692 1.00 0.00 H new ATOM 0 HH12 ARG A 462 -5.661 -0.225 -16.175 1.00 0.00 H new ATOM 0 HH21 ARG A 462 -2.960 -0.662 -18.322 1.00 0.00 H new ATOM 0 HH22 ARG A 462 -4.694 -0.362 -18.168 1.00 0.00 H new ATOM 421 N ARG A 463 -5.438 -1.687 -10.844 1.00 0.00 N ATOM 422 CA ARG A 463 -6.911 -1.743 -10.816 1.00 0.00 C ATOM 423 C ARG A 463 -7.619 -0.370 -10.885 1.00 0.00 C ATOM 424 O ARG A 463 -8.816 -0.323 -11.173 1.00 0.00 O ATOM 425 CB ARG A 463 -7.378 -2.555 -9.585 1.00 0.00 C ATOM 426 CG ARG A 463 -6.755 -2.101 -8.249 1.00 0.00 C ATOM 427 CD ARG A 463 -7.317 -2.874 -7.045 1.00 0.00 C ATOM 428 NE ARG A 463 -6.381 -2.811 -5.908 1.00 0.00 N ATOM 429 CZ ARG A 463 -6.528 -3.322 -4.693 1.00 0.00 C ATOM 430 NH1 ARG A 463 -7.649 -3.869 -4.272 1.00 0.00 N ATOM 431 NH2 ARG A 463 -5.498 -3.285 -3.881 1.00 0.00 N ATOM 0 H ARG A 463 -5.023 -2.142 -10.031 1.00 0.00 H new ATOM 0 HA ARG A 463 -7.211 -2.246 -11.735 1.00 0.00 H new ATOM 0 HB2 ARG A 463 -8.463 -2.484 -9.509 1.00 0.00 H new ATOM 0 HB3 ARG A 463 -7.138 -3.606 -9.746 1.00 0.00 H new ATOM 0 HG2 ARG A 463 -5.674 -2.236 -8.291 1.00 0.00 H new ATOM 0 HG3 ARG A 463 -6.938 -1.035 -8.110 1.00 0.00 H new ATOM 0 HD2 ARG A 463 -8.280 -2.455 -6.754 1.00 0.00 H new ATOM 0 HD3 ARG A 463 -7.492 -3.913 -7.322 1.00 0.00 H new ATOM 0 HE ARG A 463 -5.509 -2.310 -6.077 1.00 0.00 H new ATOM 0 HH11 ARG A 463 -8.458 -3.914 -4.891 1.00 0.00 H new ATOM 0 HH12 ARG A 463 -7.708 -4.248 -3.327 1.00 0.00 H new ATOM 0 HH21 ARG A 463 -4.619 -2.872 -4.191 1.00 0.00 H new ATOM 0 HH22 ARG A 463 -5.577 -3.669 -2.939 1.00 0.00 H new ATOM 445 N PHE A 464 -6.895 0.737 -10.674 1.00 0.00 N ATOM 446 CA PHE A 464 -7.403 2.116 -10.758 1.00 0.00 C ATOM 447 C PHE A 464 -7.007 2.849 -12.053 1.00 0.00 C ATOM 448 O PHE A 464 -7.448 3.978 -12.274 1.00 0.00 O ATOM 449 CB PHE A 464 -6.908 2.868 -9.513 1.00 0.00 C ATOM 450 CG PHE A 464 -7.348 2.219 -8.214 1.00 0.00 C ATOM 451 CD1 PHE A 464 -8.718 2.038 -7.955 1.00 0.00 C ATOM 452 CD2 PHE A 464 -6.397 1.710 -7.308 1.00 0.00 C ATOM 453 CE1 PHE A 464 -9.138 1.341 -6.812 1.00 0.00 C ATOM 454 CE2 PHE A 464 -6.816 1.002 -6.169 1.00 0.00 C ATOM 455 CZ PHE A 464 -8.188 0.818 -5.918 1.00 0.00 C ATOM 0 H PHE A 464 -5.905 0.698 -10.432 1.00 0.00 H new ATOM 0 HA PHE A 464 -8.492 2.082 -10.789 1.00 0.00 H new ATOM 0 HB2 PHE A 464 -5.820 2.920 -9.536 1.00 0.00 H new ATOM 0 HB3 PHE A 464 -7.277 3.893 -9.544 1.00 0.00 H new ATOM 0 HD1 PHE A 464 -9.451 2.438 -8.640 1.00 0.00 H new ATOM 0 HD2 PHE A 464 -5.344 1.864 -7.489 1.00 0.00 H new ATOM 0 HE1 PHE A 464 -10.192 1.206 -6.619 1.00 0.00 H new ATOM 0 HE2 PHE A 464 -6.084 0.598 -5.485 1.00 0.00 H new ATOM 0 HZ PHE A 464 -8.510 0.276 -5.041 1.00 0.00 H new ATOM 465 N GLY A 465 -6.191 2.221 -12.908 1.00 0.00 N ATOM 466 CA GLY A 465 -5.551 2.822 -14.086 1.00 0.00 C ATOM 467 C GLY A 465 -4.017 2.735 -14.015 1.00 0.00 C ATOM 468 O GLY A 465 -3.482 2.315 -12.985 1.00 0.00 O ATOM 0 H GLY A 465 -5.948 1.237 -12.793 1.00 0.00 H new ATOM 0 HA2 GLY A 465 -5.902 2.317 -14.986 1.00 0.00 H new ATOM 0 HA3 GLY A 465 -5.852 3.866 -14.169 1.00 0.00 H new ATOM 472 N PRO A 466 -3.301 3.090 -15.098 1.00 0.00 N ATOM 473 CA PRO A 466 -1.846 2.977 -15.178 1.00 0.00 C ATOM 474 C PRO A 466 -1.133 3.977 -14.256 1.00 0.00 C ATOM 475 O PRO A 466 -1.648 5.056 -13.951 1.00 0.00 O ATOM 476 CB PRO A 466 -1.497 3.171 -16.657 1.00 0.00 C ATOM 477 CG PRO A 466 -2.655 4.006 -17.200 1.00 0.00 C ATOM 478 CD PRO A 466 -3.849 3.541 -16.370 1.00 0.00 C ATOM 0 HA PRO A 466 -1.501 2.005 -14.825 1.00 0.00 H new ATOM 0 HB2 PRO A 466 -0.543 3.684 -16.779 1.00 0.00 H new ATOM 0 HB3 PRO A 466 -1.414 2.216 -17.177 1.00 0.00 H new ATOM 0 HG2 PRO A 466 -2.472 5.074 -17.077 1.00 0.00 H new ATOM 0 HG3 PRO A 466 -2.813 3.830 -18.264 1.00 0.00 H new ATOM 0 HD2 PRO A 466 -4.562 4.353 -16.222 1.00 0.00 H new ATOM 0 HD3 PRO A 466 -4.384 2.735 -16.873 1.00 0.00 H new ATOM 486 N LEU A 467 0.070 3.593 -13.816 1.00 0.00 N ATOM 487 CA LEU A 467 0.868 4.273 -12.793 1.00 0.00 C ATOM 488 C LEU A 467 2.347 3.840 -12.821 1.00 0.00 C ATOM 489 O LEU A 467 2.712 2.886 -13.512 1.00 0.00 O ATOM 490 CB LEU A 467 0.247 4.028 -11.390 1.00 0.00 C ATOM 491 CG LEU A 467 0.448 2.623 -10.771 1.00 0.00 C ATOM 492 CD1 LEU A 467 0.247 2.694 -9.253 1.00 0.00 C ATOM 493 CD2 LEU A 467 -0.516 1.573 -11.339 1.00 0.00 C ATOM 0 H LEU A 467 0.534 2.761 -14.181 1.00 0.00 H new ATOM 0 HA LEU A 467 0.850 5.340 -13.013 1.00 0.00 H new ATOM 0 HB2 LEU A 467 0.662 4.764 -10.702 1.00 0.00 H new ATOM 0 HB3 LEU A 467 -0.824 4.220 -11.455 1.00 0.00 H new ATOM 0 HG LEU A 467 1.463 2.315 -11.023 1.00 0.00 H new ATOM 0 HD11 LEU A 467 0.389 1.704 -8.820 1.00 0.00 H new ATOM 0 HD12 LEU A 467 0.971 3.386 -8.822 1.00 0.00 H new ATOM 0 HD13 LEU A 467 -0.762 3.043 -9.036 1.00 0.00 H new ATOM 0 HD21 LEU A 467 -0.325 0.610 -10.866 1.00 0.00 H new ATOM 0 HD22 LEU A 467 -1.544 1.877 -11.141 1.00 0.00 H new ATOM 0 HD23 LEU A 467 -0.365 1.485 -12.415 1.00 0.00 H new ATOM 505 N VAL A 468 3.172 4.508 -12.014 1.00 0.00 N ATOM 506 CA VAL A 468 4.545 4.104 -11.664 1.00 0.00 C ATOM 507 C VAL A 468 4.716 4.207 -10.138 1.00 0.00 C ATOM 508 O VAL A 468 3.953 4.918 -9.483 1.00 0.00 O ATOM 509 CB VAL A 468 5.618 4.896 -12.458 1.00 0.00 C ATOM 510 CG1 VAL A 468 5.939 6.285 -11.916 1.00 0.00 C ATOM 511 CG2 VAL A 468 6.911 4.081 -12.591 1.00 0.00 C ATOM 0 H VAL A 468 2.896 5.381 -11.565 1.00 0.00 H new ATOM 0 HA VAL A 468 4.703 3.067 -11.959 1.00 0.00 H new ATOM 0 HB VAL A 468 5.165 5.060 -13.436 1.00 0.00 H new ATOM 0 HG11 VAL A 468 6.699 6.753 -12.542 1.00 0.00 H new ATOM 0 HG12 VAL A 468 5.036 6.896 -11.923 1.00 0.00 H new ATOM 0 HG13 VAL A 468 6.311 6.200 -10.895 1.00 0.00 H new ATOM 0 HG21 VAL A 468 7.648 4.657 -13.151 1.00 0.00 H new ATOM 0 HG22 VAL A 468 7.303 3.857 -11.599 1.00 0.00 H new ATOM 0 HG23 VAL A 468 6.702 3.150 -13.117 1.00 0.00 H new ATOM 521 N VAL A 469 5.684 3.485 -9.567 1.00 0.00 N ATOM 522 CA VAL A 469 5.884 3.358 -8.110 1.00 0.00 C ATOM 523 C VAL A 469 7.355 3.586 -7.758 1.00 0.00 C ATOM 524 O VAL A 469 8.243 3.062 -8.431 1.00 0.00 O ATOM 525 CB VAL A 469 5.418 1.971 -7.605 1.00 0.00 C ATOM 526 CG1 VAL A 469 5.666 1.791 -6.096 1.00 0.00 C ATOM 527 CG2 VAL A 469 3.918 1.768 -7.882 1.00 0.00 C ATOM 0 H VAL A 469 6.368 2.959 -10.111 1.00 0.00 H new ATOM 0 HA VAL A 469 5.280 4.118 -7.615 1.00 0.00 H new ATOM 0 HB VAL A 469 6.005 1.230 -8.147 1.00 0.00 H new ATOM 0 HG11 VAL A 469 5.324 0.804 -5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 469 6.732 1.887 -5.888 1.00 0.00 H new ATOM 0 HG13 VAL A 469 5.118 2.555 -5.544 1.00 0.00 H new ATOM 0 HG21 VAL A 469 3.611 0.787 -7.519 1.00 0.00 H new ATOM 0 HG22 VAL A 469 3.345 2.540 -7.369 1.00 0.00 H new ATOM 0 HG23 VAL A 469 3.734 1.832 -8.954 1.00 0.00 H new ATOM 537 N ASP A 470 7.606 4.357 -6.695 1.00 0.00 N ATOM 538 CA ASP A 470 8.950 4.705 -6.220 1.00 0.00 C ATOM 539 C ASP A 470 8.983 5.038 -4.712 1.00 0.00 C ATOM 540 O ASP A 470 7.939 5.182 -4.076 1.00 0.00 O ATOM 541 CB ASP A 470 9.502 5.859 -7.083 1.00 0.00 C ATOM 542 CG ASP A 470 11.021 6.038 -6.939 1.00 0.00 C ATOM 543 OD1 ASP A 470 11.727 5.006 -6.840 1.00 0.00 O ATOM 544 OD2 ASP A 470 11.491 7.198 -6.931 1.00 0.00 O ATOM 0 H ASP A 470 6.864 4.766 -6.128 1.00 0.00 H new ATOM 0 HA ASP A 470 9.595 3.833 -6.332 1.00 0.00 H new ATOM 0 HB2 ASP A 470 9.261 5.671 -8.129 1.00 0.00 H new ATOM 0 HB3 ASP A 470 9.003 6.787 -6.802 1.00 0.00 H new ATOM 786 N GLY A 485 8.969 -0.002 4.446 1.00 0.00 N ATOM 787 CA GLY A 485 7.564 -0.410 4.620 1.00 0.00 C ATOM 788 C GLY A 485 6.547 0.528 3.960 1.00 0.00 C ATOM 789 O GLY A 485 5.354 0.416 4.238 1.00 0.00 O ATOM 0 HA2 GLY A 485 7.436 -1.412 4.210 1.00 0.00 H new ATOM 0 HA3 GLY A 485 7.345 -0.471 5.686 1.00 0.00 H new ATOM 793 N TYR A 486 6.986 1.443 3.088 1.00 0.00 N ATOM 794 CA TYR A 486 6.125 2.414 2.400 1.00 0.00 C ATOM 795 C TYR A 486 6.630 2.782 0.994 1.00 0.00 C ATOM 796 O TYR A 486 7.810 2.605 0.681 1.00 0.00 O ATOM 797 CB TYR A 486 5.922 3.666 3.277 1.00 0.00 C ATOM 798 CG TYR A 486 7.124 4.581 3.465 1.00 0.00 C ATOM 799 CD1 TYR A 486 7.483 5.504 2.460 1.00 0.00 C ATOM 800 CD2 TYR A 486 7.827 4.574 4.685 1.00 0.00 C ATOM 801 CE1 TYR A 486 8.538 6.413 2.670 1.00 0.00 C ATOM 802 CE2 TYR A 486 8.874 5.489 4.907 1.00 0.00 C ATOM 803 CZ TYR A 486 9.232 6.414 3.900 1.00 0.00 C ATOM 804 OH TYR A 486 10.234 7.308 4.129 1.00 0.00 O ATOM 0 H TYR A 486 7.970 1.532 2.835 1.00 0.00 H new ATOM 0 HA TYR A 486 5.159 1.933 2.248 1.00 0.00 H new ATOM 0 HB2 TYR A 486 5.113 4.255 2.845 1.00 0.00 H new ATOM 0 HB3 TYR A 486 5.588 3.339 4.262 1.00 0.00 H new ATOM 0 HD1 TYR A 486 6.945 5.513 1.523 1.00 0.00 H new ATOM 0 HD2 TYR A 486 7.562 3.864 5.454 1.00 0.00 H new ATOM 0 HE1 TYR A 486 8.816 7.108 1.892 1.00 0.00 H new ATOM 0 HE2 TYR A 486 9.404 5.484 5.848 1.00 0.00 H new ATOM 0 HH TYR A 486 10.600 7.166 5.027 1.00 0.00 H new ATOM 814 N ALA A 487 5.737 3.326 0.160 1.00 0.00 N ATOM 815 CA ALA A 487 6.028 3.783 -1.199 1.00 0.00 C ATOM 816 C ALA A 487 5.083 4.913 -1.638 1.00 0.00 C ATOM 817 O ALA A 487 4.030 5.137 -1.031 1.00 0.00 O ATOM 818 CB ALA A 487 5.955 2.578 -2.153 1.00 0.00 C ATOM 0 H ALA A 487 4.761 3.464 0.423 1.00 0.00 H new ATOM 0 HA ALA A 487 7.033 4.204 -1.226 1.00 0.00 H new ATOM 0 HB1 ALA A 487 6.170 2.906 -3.170 1.00 0.00 H new ATOM 0 HB2 ALA A 487 6.687 1.829 -1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 487 4.956 2.144 -2.115 1.00 0.00 H new ATOM 824 N PHE A 488 5.460 5.596 -2.719 1.00 0.00 N ATOM 825 CA PHE A 488 4.666 6.603 -3.412 1.00 0.00 C ATOM 826 C PHE A 488 4.224 6.070 -4.780 1.00 0.00 C ATOM 827 O PHE A 488 5.049 5.735 -5.633 1.00 0.00 O ATOM 828 CB PHE A 488 5.486 7.890 -3.586 1.00 0.00 C ATOM 829 CG PHE A 488 5.798 8.629 -2.299 1.00 0.00 C ATOM 830 CD1 PHE A 488 4.824 9.457 -1.711 1.00 0.00 C ATOM 831 CD2 PHE A 488 7.074 8.522 -1.713 1.00 0.00 C ATOM 832 CE1 PHE A 488 5.135 10.197 -0.556 1.00 0.00 C ATOM 833 CE2 PHE A 488 7.377 9.251 -0.549 1.00 0.00 C ATOM 834 CZ PHE A 488 6.411 10.095 0.025 1.00 0.00 C ATOM 0 H PHE A 488 6.372 5.453 -3.154 1.00 0.00 H new ATOM 0 HA PHE A 488 3.780 6.828 -2.818 1.00 0.00 H new ATOM 0 HB2 PHE A 488 6.425 7.641 -4.081 1.00 0.00 H new ATOM 0 HB3 PHE A 488 4.943 8.562 -4.251 1.00 0.00 H new ATOM 0 HD1 PHE A 488 3.838 9.524 -2.146 1.00 0.00 H new ATOM 0 HD2 PHE A 488 7.820 7.880 -2.157 1.00 0.00 H new ATOM 0 HE1 PHE A 488 4.392 10.845 -0.115 1.00 0.00 H new ATOM 0 HE2 PHE A 488 8.353 9.162 -0.096 1.00 0.00 H new ATOM 0 HZ PHE A 488 6.649 10.665 0.911 1.00 0.00 H new ATOM 844 N LEU A 489 2.908 6.030 -4.986 1.00 0.00 N ATOM 845 CA LEU A 489 2.260 5.781 -6.269 1.00 0.00 C ATOM 846 C LEU A 489 2.159 7.102 -7.031 1.00 0.00 C ATOM 847 O LEU A 489 1.813 8.129 -6.436 1.00 0.00 O ATOM 848 CB LEU A 489 0.836 5.233 -6.055 1.00 0.00 C ATOM 849 CG LEU A 489 0.656 4.115 -5.015 1.00 0.00 C ATOM 850 CD1 LEU A 489 -0.840 3.806 -4.919 1.00 0.00 C ATOM 851 CD2 LEU A 489 1.443 2.842 -5.346 1.00 0.00 C ATOM 0 H LEU A 489 2.238 6.177 -4.231 1.00 0.00 H new ATOM 0 HA LEU A 489 2.847 5.051 -6.827 1.00 0.00 H new ATOM 0 HB2 LEU A 489 0.194 6.066 -5.768 1.00 0.00 H new ATOM 0 HB3 LEU A 489 0.470 4.864 -7.013 1.00 0.00 H new ATOM 0 HG LEU A 489 1.054 4.465 -4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 489 -1.002 3.014 -4.187 1.00 0.00 H new ATOM 0 HD12 LEU A 489 -1.377 4.702 -4.609 1.00 0.00 H new ATOM 0 HD13 LEU A 489 -1.208 3.481 -5.892 1.00 0.00 H new ATOM 0 HD21 LEU A 489 1.270 2.095 -4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 489 1.113 2.450 -6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 489 2.507 3.074 -5.395 1.00 0.00 H new ATOM 863 N LEU A 490 2.397 7.055 -8.340 1.00 0.00 N ATOM 864 CA LEU A 490 2.233 8.160 -9.281 1.00 0.00 C ATOM 865 C LEU A 490 1.343 7.671 -10.431 1.00 0.00 C ATOM 866 O LEU A 490 1.807 6.912 -11.287 1.00 0.00 O ATOM 867 CB LEU A 490 3.611 8.590 -9.823 1.00 0.00 C ATOM 868 CG LEU A 490 4.730 8.907 -8.816 1.00 0.00 C ATOM 869 CD1 LEU A 490 6.020 9.158 -9.611 1.00 0.00 C ATOM 870 CD2 LEU A 490 4.387 10.117 -7.938 1.00 0.00 C ATOM 0 H LEU A 490 2.726 6.203 -8.795 1.00 0.00 H new ATOM 0 HA LEU A 490 1.774 9.018 -8.789 1.00 0.00 H new ATOM 0 HB2 LEU A 490 3.971 7.798 -10.480 1.00 0.00 H new ATOM 0 HB3 LEU A 490 3.462 9.474 -10.442 1.00 0.00 H new ATOM 0 HG LEU A 490 4.856 8.063 -8.138 1.00 0.00 H new ATOM 0 HD11 LEU A 490 6.833 9.386 -8.922 1.00 0.00 H new ATOM 0 HD12 LEU A 490 6.271 8.268 -10.187 1.00 0.00 H new ATOM 0 HD13 LEU A 490 5.872 9.999 -10.289 1.00 0.00 H new ATOM 0 HD21 LEU A 490 5.205 10.305 -7.242 1.00 0.00 H new ATOM 0 HD22 LEU A 490 4.239 10.994 -8.569 1.00 0.00 H new ATOM 0 HD23 LEU A 490 3.474 9.914 -7.379 1.00 0.00 H new ATOM 882 N PHE A 491 0.070 8.063 -10.440 1.00 0.00 N ATOM 883 CA PHE A 491 -0.893 7.659 -11.473 1.00 0.00 C ATOM 884 C PHE A 491 -0.773 8.527 -12.737 1.00 0.00 C ATOM 885 O PHE A 491 -0.243 9.639 -12.700 1.00 0.00 O ATOM 886 CB PHE A 491 -2.314 7.681 -10.889 1.00 0.00 C ATOM 887 CG PHE A 491 -2.567 6.640 -9.808 1.00 0.00 C ATOM 888 CD1 PHE A 491 -2.327 6.951 -8.455 1.00 0.00 C ATOM 889 CD2 PHE A 491 -3.051 5.360 -10.147 1.00 0.00 C ATOM 890 CE1 PHE A 491 -2.587 6.002 -7.451 1.00 0.00 C ATOM 891 CE2 PHE A 491 -3.288 4.405 -9.145 1.00 0.00 C ATOM 892 CZ PHE A 491 -3.071 4.728 -7.795 1.00 0.00 C ATOM 0 H PHE A 491 -0.329 8.674 -9.727 1.00 0.00 H new ATOM 0 HA PHE A 491 -0.665 6.640 -11.785 1.00 0.00 H new ATOM 0 HB2 PHE A 491 -2.508 8.671 -10.476 1.00 0.00 H new ATOM 0 HB3 PHE A 491 -3.028 7.528 -11.698 1.00 0.00 H new ATOM 0 HD1 PHE A 491 -1.941 7.924 -8.188 1.00 0.00 H new ATOM 0 HD2 PHE A 491 -3.240 5.113 -11.181 1.00 0.00 H new ATOM 0 HE1 PHE A 491 -2.415 6.252 -6.415 1.00 0.00 H new ATOM 0 HE2 PHE A 491 -3.638 3.419 -9.413 1.00 0.00 H new ATOM 0 HZ PHE A 491 -3.275 4.000 -7.024 1.00 0.00 H new ATOM 902 N GLN A 492 -1.289 8.037 -13.868 1.00 0.00 N ATOM 903 CA GLN A 492 -1.320 8.788 -15.131 1.00 0.00 C ATOM 904 C GLN A 492 -2.510 9.762 -15.228 1.00 0.00 C ATOM 905 O GLN A 492 -2.474 10.683 -16.044 1.00 0.00 O ATOM 906 CB GLN A 492 -1.332 7.801 -16.308 1.00 0.00 C ATOM 907 CG GLN A 492 -0.066 6.926 -16.418 1.00 0.00 C ATOM 908 CD GLN A 492 1.234 7.695 -16.685 1.00 0.00 C ATOM 909 OE1 GLN A 492 1.256 8.858 -17.069 1.00 0.00 O ATOM 910 NE2 GLN A 492 2.379 7.074 -16.485 1.00 0.00 N ATOM 0 H GLN A 492 -1.699 7.105 -13.936 1.00 0.00 H new ATOM 0 HA GLN A 492 -0.422 9.405 -15.167 1.00 0.00 H new ATOM 0 HB2 GLN A 492 -2.201 7.151 -16.212 1.00 0.00 H new ATOM 0 HB3 GLN A 492 -1.454 8.361 -17.235 1.00 0.00 H new ATOM 0 HG2 GLN A 492 0.048 6.361 -15.493 1.00 0.00 H new ATOM 0 HG3 GLN A 492 -0.212 6.201 -17.219 1.00 0.00 H new ATOM 0 HE21 GLN A 492 2.385 6.105 -16.165 1.00 0.00 H new ATOM 0 HE22 GLN A 492 3.259 7.562 -16.650 1.00 0.00 H new ATOM 919 N GLU A 493 -3.536 9.610 -14.381 1.00 0.00 N ATOM 920 CA GLU A 493 -4.712 10.489 -14.301 1.00 0.00 C ATOM 921 C GLU A 493 -5.136 10.690 -12.836 1.00 0.00 C ATOM 922 O GLU A 493 -5.117 9.748 -12.044 1.00 0.00 O ATOM 923 CB GLU A 493 -5.891 9.899 -15.099 1.00 0.00 C ATOM 924 CG GLU A 493 -5.631 9.823 -16.610 1.00 0.00 C ATOM 925 CD GLU A 493 -6.892 9.387 -17.369 1.00 0.00 C ATOM 926 OE1 GLU A 493 -7.689 10.266 -17.781 1.00 0.00 O ATOM 927 OE2 GLU A 493 -7.093 8.166 -17.575 1.00 0.00 O ATOM 0 H GLU A 493 -3.572 8.844 -13.708 1.00 0.00 H new ATOM 0 HA GLU A 493 -4.439 11.452 -14.732 1.00 0.00 H new ATOM 0 HB2 GLU A 493 -6.108 8.898 -14.725 1.00 0.00 H new ATOM 0 HB3 GLU A 493 -6.779 10.505 -14.921 1.00 0.00 H new ATOM 0 HG2 GLU A 493 -5.302 10.796 -16.974 1.00 0.00 H new ATOM 0 HG3 GLU A 493 -4.823 9.119 -16.808 1.00 0.00 H new ATOM 934 N GLU A 494 -5.561 11.908 -12.472 1.00 0.00 N ATOM 935 CA GLU A 494 -6.126 12.193 -11.140 1.00 0.00 C ATOM 936 C GLU A 494 -7.395 11.361 -10.875 1.00 0.00 C ATOM 937 O GLU A 494 -7.646 10.942 -9.745 1.00 0.00 O ATOM 938 CB GLU A 494 -6.445 13.690 -10.992 1.00 0.00 C ATOM 939 CG GLU A 494 -5.196 14.570 -10.868 1.00 0.00 C ATOM 940 CD GLU A 494 -5.582 16.041 -10.660 1.00 0.00 C ATOM 941 OE1 GLU A 494 -5.782 16.453 -9.494 1.00 0.00 O ATOM 942 OE2 GLU A 494 -5.685 16.789 -11.661 1.00 0.00 O ATOM 0 H GLU A 494 -5.524 12.721 -13.087 1.00 0.00 H new ATOM 0 HA GLU A 494 -5.373 11.914 -10.403 1.00 0.00 H new ATOM 0 HB2 GLU A 494 -7.026 14.017 -11.854 1.00 0.00 H new ATOM 0 HB3 GLU A 494 -7.071 13.835 -10.112 1.00 0.00 H new ATOM 0 HG2 GLU A 494 -4.587 14.228 -10.032 1.00 0.00 H new ATOM 0 HG3 GLU A 494 -4.587 14.473 -11.767 1.00 0.00 H new ATOM 949 N SER A 495 -8.152 11.024 -11.922 1.00 0.00 N ATOM 950 CA SER A 495 -9.303 10.115 -11.862 1.00 0.00 C ATOM 951 C SER A 495 -8.953 8.742 -11.262 1.00 0.00 C ATOM 952 O SER A 495 -9.791 8.127 -10.608 1.00 0.00 O ATOM 953 CB SER A 495 -9.885 9.921 -13.271 1.00 0.00 C ATOM 954 OG SER A 495 -10.157 11.172 -13.894 1.00 0.00 O ATOM 0 H SER A 495 -7.978 11.384 -12.860 1.00 0.00 H new ATOM 0 HA SER A 495 -10.037 10.578 -11.203 1.00 0.00 H new ATOM 0 HB2 SER A 495 -9.183 9.353 -13.882 1.00 0.00 H new ATOM 0 HB3 SER A 495 -10.802 9.335 -13.211 1.00 0.00 H new ATOM 0 HG SER A 495 -10.525 11.018 -14.789 1.00 0.00 H new ATOM 960 N SER A 496 -7.705 8.277 -11.395 1.00 0.00 N ATOM 961 CA SER A 496 -7.239 7.038 -10.761 1.00 0.00 C ATOM 962 C SER A 496 -7.040 7.200 -9.245 1.00 0.00 C ATOM 963 O SER A 496 -7.241 6.246 -8.494 1.00 0.00 O ATOM 964 CB SER A 496 -5.917 6.587 -11.392 1.00 0.00 C ATOM 965 OG SER A 496 -5.996 6.484 -12.808 1.00 0.00 O ATOM 0 H SER A 496 -6.989 8.750 -11.946 1.00 0.00 H new ATOM 0 HA SER A 496 -8.012 6.287 -10.924 1.00 0.00 H new ATOM 0 HB2 SER A 496 -5.131 7.294 -11.126 1.00 0.00 H new ATOM 0 HB3 SER A 496 -5.631 5.621 -10.976 1.00 0.00 H new ATOM 0 HG SER A 496 -6.475 5.664 -13.050 1.00 0.00 H new ATOM 971 N VAL A 497 -6.720 8.411 -8.770 1.00 0.00 N ATOM 972 CA VAL A 497 -6.623 8.713 -7.332 1.00 0.00 C ATOM 973 C VAL A 497 -8.025 8.821 -6.728 1.00 0.00 C ATOM 974 O VAL A 497 -8.257 8.317 -5.635 1.00 0.00 O ATOM 975 CB VAL A 497 -5.787 9.984 -7.047 1.00 0.00 C ATOM 976 CG1 VAL A 497 -5.719 10.298 -5.542 1.00 0.00 C ATOM 977 CG2 VAL A 497 -4.358 9.808 -7.589 1.00 0.00 C ATOM 0 H VAL A 497 -6.521 9.211 -9.371 1.00 0.00 H new ATOM 0 HA VAL A 497 -6.093 7.889 -6.855 1.00 0.00 H new ATOM 0 HB VAL A 497 -6.280 10.816 -7.549 1.00 0.00 H new ATOM 0 HG11 VAL A 497 -5.123 11.197 -5.384 1.00 0.00 H new ATOM 0 HG12 VAL A 497 -6.726 10.458 -5.158 1.00 0.00 H new ATOM 0 HG13 VAL A 497 -5.259 9.461 -5.016 1.00 0.00 H new ATOM 0 HG21 VAL A 497 -3.778 10.708 -7.384 1.00 0.00 H new ATOM 0 HG22 VAL A 497 -3.887 8.954 -7.103 1.00 0.00 H new ATOM 0 HG23 VAL A 497 -4.395 9.638 -8.665 1.00 0.00 H new ATOM 987 N GLN A 498 -8.992 9.392 -7.455 1.00 0.00 N ATOM 988 CA GLN A 498 -10.393 9.398 -7.029 1.00 0.00 C ATOM 989 C GLN A 498 -11.002 7.988 -7.037 1.00 0.00 C ATOM 990 O GLN A 498 -11.748 7.650 -6.119 1.00 0.00 O ATOM 991 CB GLN A 498 -11.181 10.346 -7.949 1.00 0.00 C ATOM 992 CG GLN A 498 -12.679 10.477 -7.614 1.00 0.00 C ATOM 993 CD GLN A 498 -12.953 10.970 -6.191 1.00 0.00 C ATOM 994 OE1 GLN A 498 -13.037 12.161 -5.919 1.00 0.00 O ATOM 995 NE2 GLN A 498 -13.098 10.080 -5.231 1.00 0.00 N ATOM 0 H GLN A 498 -8.826 9.858 -8.347 1.00 0.00 H new ATOM 0 HA GLN A 498 -10.448 9.750 -5.999 1.00 0.00 H new ATOM 0 HB2 GLN A 498 -10.725 11.335 -7.903 1.00 0.00 H new ATOM 0 HB3 GLN A 498 -11.082 9.997 -8.977 1.00 0.00 H new ATOM 0 HG2 GLN A 498 -13.141 11.165 -8.322 1.00 0.00 H new ATOM 0 HG3 GLN A 498 -13.159 9.508 -7.751 1.00 0.00 H new ATOM 0 HE21 GLN A 498 -13.030 9.085 -5.444 1.00 0.00 H new ATOM 0 HE22 GLN A 498 -13.278 10.386 -4.275 1.00 0.00 H new ATOM 1004 N ALA A 499 -10.661 7.149 -8.020 1.00 0.00 N ATOM 1005 CA ALA A 499 -11.065 5.738 -8.049 1.00 0.00 C ATOM 1006 C ALA A 499 -10.490 4.941 -6.865 1.00 0.00 C ATOM 1007 O ALA A 499 -11.191 4.104 -6.294 1.00 0.00 O ATOM 1008 CB ALA A 499 -10.636 5.110 -9.380 1.00 0.00 C ATOM 0 H ALA A 499 -10.095 7.429 -8.821 1.00 0.00 H new ATOM 0 HA ALA A 499 -12.150 5.699 -7.957 1.00 0.00 H new ATOM 0 HB1 ALA A 499 -10.936 4.062 -9.401 1.00 0.00 H new ATOM 0 HB2 ALA A 499 -11.113 5.641 -10.203 1.00 0.00 H new ATOM 0 HB3 ALA A 499 -9.553 5.179 -9.483 1.00 0.00 H new ATOM 1014 N LEU A 500 -9.245 5.234 -6.464 1.00 0.00 N ATOM 1015 CA LEU A 500 -8.644 4.693 -5.247 1.00 0.00 C ATOM 1016 C LEU A 500 -9.407 5.167 -4.001 1.00 0.00 C ATOM 1017 O LEU A 500 -9.803 4.341 -3.183 1.00 0.00 O ATOM 1018 CB LEU A 500 -7.143 5.048 -5.229 1.00 0.00 C ATOM 1019 CG LEU A 500 -6.405 4.757 -3.907 1.00 0.00 C ATOM 1020 CD1 LEU A 500 -6.538 3.300 -3.456 1.00 0.00 C ATOM 1021 CD2 LEU A 500 -4.916 5.080 -4.084 1.00 0.00 C ATOM 0 H LEU A 500 -8.626 5.858 -6.982 1.00 0.00 H new ATOM 0 HA LEU A 500 -8.722 3.606 -5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -6.648 4.497 -6.029 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -7.036 6.108 -5.458 1.00 0.00 H new ATOM 0 HG LEU A 500 -6.863 5.382 -3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -5.997 3.158 -2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -7.591 3.060 -3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -6.121 2.643 -4.219 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -4.386 4.877 -3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -4.502 4.461 -4.880 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -4.800 6.132 -4.345 1.00 0.00 H new ATOM 1033 N ILE A 501 -9.679 6.469 -3.875 1.00 0.00 N ATOM 1034 CA ILE A 501 -10.466 7.049 -2.766 1.00 0.00 C ATOM 1035 C ILE A 501 -11.853 6.388 -2.657 1.00 0.00 C ATOM 1036 O ILE A 501 -12.291 6.058 -1.555 1.00 0.00 O ATOM 1037 CB ILE A 501 -10.564 8.588 -2.928 1.00 0.00 C ATOM 1038 CG1 ILE A 501 -9.184 9.253 -2.720 1.00 0.00 C ATOM 1039 CG2 ILE A 501 -11.580 9.193 -1.938 1.00 0.00 C ATOM 1040 CD1 ILE A 501 -9.076 10.685 -3.258 1.00 0.00 C ATOM 0 H ILE A 501 -9.357 7.166 -4.547 1.00 0.00 H new ATOM 0 HA ILE A 501 -9.950 6.844 -1.828 1.00 0.00 H new ATOM 0 HB ILE A 501 -10.907 8.784 -3.944 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -8.957 9.262 -1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -8.424 8.639 -3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -11.625 10.273 -2.077 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -12.565 8.762 -2.119 1.00 0.00 H new ATOM 0 HG23 ILE A 501 -11.269 8.972 -0.917 1.00 0.00 H new ATOM 0 HD11 ILE A 501 -8.074 11.070 -3.068 1.00 0.00 H new ATOM 0 HD12 ILE A 501 -9.268 10.686 -4.331 1.00 0.00 H new ATOM 0 HD13 ILE A 501 -9.809 11.318 -2.758 1.00 0.00 H new ATOM 1052 N ASP A 502 -12.517 6.134 -3.787 1.00 0.00 N ATOM 1053 CA ASP A 502 -13.830 5.481 -3.857 1.00 0.00 C ATOM 1054 C ASP A 502 -13.800 3.983 -3.472 1.00 0.00 C ATOM 1055 O ASP A 502 -14.837 3.420 -3.117 1.00 0.00 O ATOM 1056 CB ASP A 502 -14.401 5.687 -5.269 1.00 0.00 C ATOM 1057 CG ASP A 502 -15.853 5.199 -5.404 1.00 0.00 C ATOM 1058 OD1 ASP A 502 -16.753 5.816 -4.783 1.00 0.00 O ATOM 1059 OD2 ASP A 502 -16.098 4.228 -6.159 1.00 0.00 O ATOM 0 H ASP A 502 -12.148 6.383 -4.705 1.00 0.00 H new ATOM 0 HA ASP A 502 -14.478 5.946 -3.114 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -14.354 6.746 -5.524 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -13.777 5.158 -5.989 1.00 0.00 H new ATOM 1064 N ALA A 503 -12.620 3.350 -3.487 1.00 0.00 N ATOM 1065 CA ALA A 503 -12.400 1.970 -3.047 1.00 0.00 C ATOM 1066 C ALA A 503 -11.845 1.865 -1.613 1.00 0.00 C ATOM 1067 O ALA A 503 -11.879 0.781 -1.023 1.00 0.00 O ATOM 1068 CB ALA A 503 -11.460 1.297 -4.054 1.00 0.00 C ATOM 0 H ALA A 503 -11.766 3.800 -3.817 1.00 0.00 H new ATOM 0 HA ALA A 503 -13.363 1.461 -3.016 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -11.279 0.266 -3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -11.918 1.308 -5.043 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -10.514 1.837 -4.086 1.00 0.00 H new ATOM 1074 N CYS A 504 -11.353 2.966 -1.035 1.00 0.00 N ATOM 1075 CA CYS A 504 -10.758 2.984 0.300 1.00 0.00 C ATOM 1076 C CYS A 504 -11.795 2.896 1.435 1.00 0.00 C ATOM 1077 O CYS A 504 -12.901 3.442 1.357 1.00 0.00 O ATOM 1078 CB CYS A 504 -9.918 4.257 0.483 1.00 0.00 C ATOM 1079 SG CYS A 504 -8.341 4.140 -0.404 1.00 0.00 S ATOM 0 H CYS A 504 -11.358 3.879 -1.489 1.00 0.00 H new ATOM 0 HA CYS A 504 -10.132 2.094 0.367 1.00 0.00 H new ATOM 0 HB2 CYS A 504 -10.478 5.120 0.121 1.00 0.00 H new ATOM 0 HB3 CYS A 504 -9.729 4.421 1.544 1.00 0.00 H new ATOM 0 HG CYS A 504 -8.557 4.211 -1.684 1.00 0.00 H new ATOM 1085 N LEU A 505 -11.382 2.240 2.520 1.00 0.00 N ATOM 1086 CA LEU A 505 -12.030 2.273 3.833 1.00 0.00 C ATOM 1087 C LEU A 505 -11.500 3.505 4.590 1.00 0.00 C ATOM 1088 O LEU A 505 -10.604 4.197 4.102 1.00 0.00 O ATOM 1089 CB LEU A 505 -11.727 0.964 4.591 1.00 0.00 C ATOM 1090 CG LEU A 505 -12.276 -0.308 3.917 1.00 0.00 C ATOM 1091 CD1 LEU A 505 -11.772 -1.546 4.672 1.00 0.00 C ATOM 1092 CD2 LEU A 505 -13.812 -0.325 3.862 1.00 0.00 C ATOM 0 H LEU A 505 -10.553 1.646 2.508 1.00 0.00 H new ATOM 0 HA LEU A 505 -13.113 2.351 3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 505 -10.647 0.864 4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 505 -12.144 1.036 5.596 1.00 0.00 H new ATOM 0 HG LEU A 505 -11.914 -0.317 2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 505 -12.160 -2.446 4.195 1.00 0.00 H new ATOM 0 HD12 LEU A 505 -10.682 -1.566 4.652 1.00 0.00 H new ATOM 0 HD13 LEU A 505 -12.115 -1.506 5.706 1.00 0.00 H new ATOM 0 HD21 LEU A 505 -14.149 -1.242 3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 505 -14.213 -0.281 4.875 1.00 0.00 H new ATOM 0 HD23 LEU A 505 -14.165 0.536 3.294 1.00 0.00 H new ATOM 1104 N GLU A 506 -12.018 3.773 5.788 1.00 0.00 N ATOM 1105 CA GLU A 506 -11.665 4.963 6.573 1.00 0.00 C ATOM 1106 C GLU A 506 -11.674 4.672 8.082 1.00 0.00 C ATOM 1107 O GLU A 506 -12.579 4.003 8.587 1.00 0.00 O ATOM 1108 CB GLU A 506 -12.619 6.118 6.213 1.00 0.00 C ATOM 1109 CG GLU A 506 -12.186 7.465 6.811 1.00 0.00 C ATOM 1110 CD GLU A 506 -13.190 8.569 6.451 1.00 0.00 C ATOM 1111 OE1 GLU A 506 -14.198 8.732 7.180 1.00 0.00 O ATOM 1112 OE2 GLU A 506 -12.979 9.286 5.445 1.00 0.00 O ATOM 0 H GLU A 506 -12.699 3.169 6.247 1.00 0.00 H new ATOM 0 HA GLU A 506 -10.646 5.257 6.321 1.00 0.00 H new ATOM 0 HB2 GLU A 506 -12.676 6.210 5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 506 -13.622 5.876 6.565 1.00 0.00 H new ATOM 0 HG2 GLU A 506 -12.107 7.378 7.895 1.00 0.00 H new ATOM 0 HG3 GLU A 506 -11.197 7.732 6.440 1.00 0.00 H new ATOM 1175 N LEU A 511 -7.298 6.933 5.344 1.00 0.00 N ATOM 1176 CA LEU A 511 -7.846 5.963 4.385 1.00 0.00 C ATOM 1177 C LEU A 511 -7.042 4.657 4.391 1.00 0.00 C ATOM 1178 O LEU A 511 -5.865 4.643 4.749 1.00 0.00 O ATOM 1179 CB LEU A 511 -7.897 6.586 2.975 1.00 0.00 C ATOM 1180 CG LEU A 511 -8.845 7.790 2.798 1.00 0.00 C ATOM 1181 CD1 LEU A 511 -8.736 8.303 1.354 1.00 0.00 C ATOM 1182 CD2 LEU A 511 -10.307 7.437 3.107 1.00 0.00 C ATOM 0 HA LEU A 511 -8.863 5.713 4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 511 -6.889 6.900 2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 511 -8.192 5.811 2.268 1.00 0.00 H new ATOM 0 HG LEU A 511 -8.542 8.560 3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 511 -9.403 9.155 1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 511 -7.710 8.611 1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 511 -9.018 7.508 0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 511 -10.932 8.319 2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 511 -10.640 6.646 2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 511 -10.388 7.095 4.139 1.00 0.00 H new ATOM 1194 N TYR A 512 -7.672 3.555 3.974 1.00 0.00 N ATOM 1195 CA TYR A 512 -7.081 2.208 3.971 1.00 0.00 C ATOM 1196 C TYR A 512 -7.539 1.346 2.782 1.00 0.00 C ATOM 1197 O TYR A 512 -8.666 1.483 2.307 1.00 0.00 O ATOM 1198 CB TYR A 512 -7.400 1.487 5.292 1.00 0.00 C ATOM 1199 CG TYR A 512 -6.725 2.072 6.517 1.00 0.00 C ATOM 1200 CD1 TYR A 512 -7.353 3.101 7.244 1.00 0.00 C ATOM 1201 CD2 TYR A 512 -5.466 1.590 6.929 1.00 0.00 C ATOM 1202 CE1 TYR A 512 -6.717 3.664 8.364 1.00 0.00 C ATOM 1203 CE2 TYR A 512 -4.832 2.139 8.060 1.00 0.00 C ATOM 1204 CZ TYR A 512 -5.456 3.184 8.779 1.00 0.00 C ATOM 1205 OH TYR A 512 -4.849 3.729 9.871 1.00 0.00 O ATOM 0 H TYR A 512 -8.629 3.572 3.621 1.00 0.00 H new ATOM 0 HA TYR A 512 -6.004 2.342 3.867 1.00 0.00 H new ATOM 0 HB2 TYR A 512 -8.479 1.503 5.447 1.00 0.00 H new ATOM 0 HB3 TYR A 512 -7.107 0.441 5.198 1.00 0.00 H new ATOM 0 HD1 TYR A 512 -8.326 3.459 6.940 1.00 0.00 H new ATOM 0 HD2 TYR A 512 -4.986 0.797 6.375 1.00 0.00 H new ATOM 0 HE1 TYR A 512 -7.194 4.466 8.908 1.00 0.00 H new ATOM 0 HE2 TYR A 512 -3.871 1.762 8.378 1.00 0.00 H new ATOM 0 HH TYR A 512 -3.989 3.285 10.023 1.00 0.00 H new ATOM 1215 N LEU A 513 -6.687 0.417 2.332 1.00 0.00 N ATOM 1216 CA LEU A 513 -6.953 -0.503 1.216 1.00 0.00 C ATOM 1217 C LEU A 513 -6.339 -1.884 1.495 1.00 0.00 C ATOM 1218 O LEU A 513 -5.347 -1.978 2.215 1.00 0.00 O ATOM 1219 CB LEU A 513 -6.352 0.104 -0.068 1.00 0.00 C ATOM 1220 CG LEU A 513 -6.971 -0.456 -1.361 1.00 0.00 C ATOM 1221 CD1 LEU A 513 -8.307 0.248 -1.646 1.00 0.00 C ATOM 1222 CD2 LEU A 513 -6.043 -0.249 -2.554 1.00 0.00 C ATOM 0 H LEU A 513 -5.765 0.279 2.746 1.00 0.00 H new ATOM 0 HA LEU A 513 -8.028 -0.637 1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -6.489 1.185 -0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 513 -5.278 -0.081 -0.079 1.00 0.00 H new ATOM 0 HG LEU A 513 -7.129 -1.525 -1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -8.741 -0.152 -2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -8.992 0.078 -0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 513 -8.137 1.318 -1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -6.509 -0.655 -3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -5.859 0.817 -2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -5.098 -0.760 -2.373 1.00 0.00 H new ATOM 1234 N CYS A 514 -6.898 -2.952 0.921 1.00 0.00 N ATOM 1235 CA CYS A 514 -6.371 -4.317 1.010 1.00 0.00 C ATOM 1236 C CYS A 514 -5.263 -4.597 -0.036 1.00 0.00 C ATOM 1237 O CYS A 514 -5.414 -4.250 -1.211 1.00 0.00 O ATOM 1238 CB CYS A 514 -7.555 -5.296 0.901 1.00 0.00 C ATOM 1239 SG CYS A 514 -8.524 -5.013 -0.617 1.00 0.00 S ATOM 0 H CYS A 514 -7.752 -2.890 0.367 1.00 0.00 H new ATOM 0 HA CYS A 514 -5.878 -4.454 1.973 1.00 0.00 H new ATOM 0 HB2 CYS A 514 -7.183 -6.320 0.910 1.00 0.00 H new ATOM 0 HB3 CYS A 514 -8.201 -5.184 1.772 1.00 0.00 H new ATOM 0 HG CYS A 514 -9.508 -5.861 -0.668 1.00 0.00 H new ATOM 1245 N VAL A 515 -4.175 -5.258 0.376 1.00 0.00 N ATOM 1246 CA VAL A 515 -3.078 -5.760 -0.490 1.00 0.00 C ATOM 1247 C VAL A 515 -2.534 -7.107 0.022 1.00 0.00 C ATOM 1248 O VAL A 515 -2.796 -7.487 1.161 1.00 0.00 O ATOM 1249 CB VAL A 515 -1.908 -4.753 -0.637 1.00 0.00 C ATOM 1250 CG1 VAL A 515 -2.342 -3.429 -1.288 1.00 0.00 C ATOM 1251 CG2 VAL A 515 -1.203 -4.480 0.702 1.00 0.00 C ATOM 0 H VAL A 515 -4.019 -5.472 1.361 1.00 0.00 H new ATOM 0 HA VAL A 515 -3.521 -5.896 -1.476 1.00 0.00 H new ATOM 0 HB VAL A 515 -1.194 -5.233 -1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -1.483 -2.763 -1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -2.739 -3.626 -2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -3.112 -2.958 -0.677 1.00 0.00 H new ATOM 0 HG21 VAL A 515 -0.391 -3.769 0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -1.918 -4.065 1.412 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -0.799 -5.412 1.097 1.00 0.00 H new ATOM 1261 N SER A 516 -1.763 -7.824 -0.801 1.00 0.00 N ATOM 1262 CA SER A 516 -1.236 -9.167 -0.487 1.00 0.00 C ATOM 1263 C SER A 516 0.158 -9.432 -1.097 1.00 0.00 C ATOM 1264 O SER A 516 0.639 -8.697 -1.961 1.00 0.00 O ATOM 1265 CB SER A 516 -2.217 -10.255 -0.969 1.00 0.00 C ATOM 1266 OG SER A 516 -3.510 -10.131 -0.389 1.00 0.00 O ATOM 0 H SER A 516 -1.479 -7.487 -1.721 1.00 0.00 H new ATOM 0 HA SER A 516 -1.129 -9.205 0.597 1.00 0.00 H new ATOM 0 HB2 SER A 516 -2.305 -10.203 -2.054 1.00 0.00 H new ATOM 0 HB3 SER A 516 -1.809 -11.237 -0.729 1.00 0.00 H new ATOM 0 HG SER A 516 -4.091 -10.843 -0.729 1.00 0.00 H new ATOM 1272 N SER A 517 0.804 -10.514 -0.661 1.00 0.00 N ATOM 1273 CA SER A 517 2.133 -10.995 -1.067 1.00 0.00 C ATOM 1274 C SER A 517 2.176 -12.547 -1.007 1.00 0.00 C ATOM 1275 O SER A 517 1.141 -13.172 -0.733 1.00 0.00 O ATOM 1276 CB SER A 517 3.184 -10.360 -0.134 1.00 0.00 C ATOM 1277 OG SER A 517 3.270 -11.069 1.097 1.00 0.00 O ATOM 0 H SER A 517 0.383 -11.126 0.038 1.00 0.00 H new ATOM 0 HA SER A 517 2.350 -10.704 -2.095 1.00 0.00 H new ATOM 0 HB2 SER A 517 4.157 -10.358 -0.625 1.00 0.00 H new ATOM 0 HB3 SER A 517 2.922 -9.320 0.059 1.00 0.00 H new ATOM 0 HG SER A 517 3.944 -10.648 1.670 1.00 0.00 H new ATOM 1283 N PRO A 518 3.335 -13.211 -1.217 1.00 0.00 N ATOM 1284 CA PRO A 518 3.480 -14.652 -1.002 1.00 0.00 C ATOM 1285 C PRO A 518 3.307 -15.096 0.463 1.00 0.00 C ATOM 1286 O PRO A 518 3.106 -16.289 0.702 1.00 0.00 O ATOM 1287 CB PRO A 518 4.880 -15.015 -1.516 1.00 0.00 C ATOM 1288 CG PRO A 518 5.219 -13.881 -2.480 1.00 0.00 C ATOM 1289 CD PRO A 518 4.554 -12.686 -1.806 1.00 0.00 C ATOM 0 HA PRO A 518 2.685 -15.173 -1.535 1.00 0.00 H new ATOM 0 HB2 PRO A 518 5.602 -15.077 -0.701 1.00 0.00 H new ATOM 0 HB3 PRO A 518 4.883 -15.982 -2.019 1.00 0.00 H new ATOM 0 HG2 PRO A 518 6.295 -13.743 -2.586 1.00 0.00 H new ATOM 0 HG3 PRO A 518 4.820 -14.061 -3.478 1.00 0.00 H new ATOM 0 HD2 PRO A 518 5.203 -12.251 -1.046 1.00 0.00 H new ATOM 0 HD3 PRO A 518 4.335 -11.898 -2.527 1.00 0.00 H new ATOM 1297 N THR A 519 3.374 -14.167 1.433 1.00 0.00 N ATOM 1298 CA THR A 519 3.385 -14.456 2.882 1.00 0.00 C ATOM 1299 C THR A 519 2.325 -13.699 3.683 1.00 0.00 C ATOM 1300 O THR A 519 2.030 -14.091 4.811 1.00 0.00 O ATOM 1301 CB THR A 519 4.771 -14.160 3.474 1.00 0.00 C ATOM 1302 OG1 THR A 519 5.123 -12.821 3.198 1.00 0.00 O ATOM 1303 CG2 THR A 519 5.855 -15.077 2.901 1.00 0.00 C ATOM 0 H THR A 519 3.423 -13.169 1.228 1.00 0.00 H new ATOM 0 HA THR A 519 3.143 -15.515 2.968 1.00 0.00 H new ATOM 0 HB THR A 519 4.709 -14.336 4.548 1.00 0.00 H new ATOM 0 HG1 THR A 519 6.007 -12.630 3.577 1.00 0.00 H new ATOM 0 HG21 THR A 519 6.817 -14.829 3.350 1.00 0.00 H new ATOM 0 HG22 THR A 519 5.608 -16.115 3.123 1.00 0.00 H new ATOM 0 HG23 THR A 519 5.913 -14.941 1.821 1.00 0.00 H new ATOM 1311 N ILE A 520 1.720 -12.655 3.114 1.00 0.00 N ATOM 1312 CA ILE A 520 0.750 -11.754 3.760 1.00 0.00 C ATOM 1313 C ILE A 520 -0.491 -11.625 2.870 1.00 0.00 C ATOM 1314 O ILE A 520 -0.369 -11.451 1.661 1.00 0.00 O ATOM 1315 CB ILE A 520 1.431 -10.384 4.004 1.00 0.00 C ATOM 1316 CG1 ILE A 520 2.627 -10.441 4.983 1.00 0.00 C ATOM 1317 CG2 ILE A 520 0.433 -9.314 4.463 1.00 0.00 C ATOM 1318 CD1 ILE A 520 2.295 -10.860 6.420 1.00 0.00 C ATOM 0 H ILE A 520 1.898 -12.398 2.143 1.00 0.00 H new ATOM 0 HA ILE A 520 0.428 -12.152 4.722 1.00 0.00 H new ATOM 0 HB ILE A 520 1.830 -10.103 3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 520 3.366 -11.136 4.584 1.00 0.00 H new ATOM 0 HG13 ILE A 520 3.096 -9.458 5.011 1.00 0.00 H new ATOM 0 HG21 ILE A 520 0.957 -8.371 4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 520 -0.333 -9.180 3.699 1.00 0.00 H new ATOM 0 HG23 ILE A 520 -0.035 -9.629 5.395 1.00 0.00 H new ATOM 0 HD11 ILE A 520 3.207 -10.866 7.017 1.00 0.00 H new ATOM 0 HD12 ILE A 520 1.584 -10.154 6.850 1.00 0.00 H new ATOM 0 HD13 ILE A 520 1.858 -11.858 6.416 1.00 0.00 H new ATOM 1330 N LYS A 521 -1.690 -11.708 3.452 1.00 0.00 N ATOM 1331 CA LYS A 521 -2.957 -11.833 2.714 1.00 0.00 C ATOM 1332 C LYS A 521 -4.037 -10.863 3.235 1.00 0.00 C ATOM 1333 O LYS A 521 -4.263 -10.781 4.445 1.00 0.00 O ATOM 1334 CB LYS A 521 -3.451 -13.291 2.831 1.00 0.00 C ATOM 1335 CG LYS A 521 -2.492 -14.387 2.331 1.00 0.00 C ATOM 1336 CD LYS A 521 -2.160 -14.302 0.834 1.00 0.00 C ATOM 1337 CE LYS A 521 -1.220 -15.456 0.459 1.00 0.00 C ATOM 1338 NZ LYS A 521 -0.716 -15.321 -0.930 1.00 0.00 N ATOM 0 H LYS A 521 -1.814 -11.690 4.464 1.00 0.00 H new ATOM 0 HA LYS A 521 -2.776 -11.570 1.672 1.00 0.00 H new ATOM 0 HB2 LYS A 521 -3.679 -13.490 3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 521 -4.386 -13.379 2.278 1.00 0.00 H new ATOM 0 HG2 LYS A 521 -1.564 -14.329 2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 521 -2.933 -15.362 2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 521 -3.074 -14.355 0.243 1.00 0.00 H new ATOM 0 HD3 LYS A 521 -1.689 -13.345 0.607 1.00 0.00 H new ATOM 0 HE2 LYS A 521 -0.378 -15.480 1.151 1.00 0.00 H new ATOM 0 HE3 LYS A 521 -1.747 -16.404 0.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 521 -0.270 -16.213 -1.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 521 -1.508 -15.103 -1.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 521 -0.016 -14.553 -0.972 1.00 0.00 H new ATOM 1352 N ASP A 522 -4.708 -10.150 2.320 1.00 0.00 N ATOM 1353 CA ASP A 522 -5.873 -9.260 2.594 1.00 0.00 C ATOM 1354 C ASP A 522 -5.543 -8.118 3.589 1.00 0.00 C ATOM 1355 O ASP A 522 -6.395 -7.620 4.325 1.00 0.00 O ATOM 1356 CB ASP A 522 -7.077 -10.124 3.030 1.00 0.00 C ATOM 1357 CG ASP A 522 -8.417 -9.365 3.024 1.00 0.00 C ATOM 1358 OD1 ASP A 522 -8.720 -8.679 2.018 1.00 0.00 O ATOM 1359 OD2 ASP A 522 -9.188 -9.500 4.004 1.00 0.00 O ATOM 0 H ASP A 522 -4.456 -10.169 1.332 1.00 0.00 H new ATOM 0 HA ASP A 522 -6.140 -8.739 1.674 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -7.154 -10.985 2.366 1.00 0.00 H new ATOM 0 HB3 ASP A 522 -6.892 -10.510 4.033 1.00 0.00 H new ATOM 1364 N LYS A 523 -4.270 -7.717 3.637 1.00 0.00 N ATOM 1365 CA LYS A 523 -3.702 -6.814 4.641 1.00 0.00 C ATOM 1366 C LYS A 523 -4.119 -5.347 4.398 1.00 0.00 C ATOM 1367 O LYS A 523 -3.942 -4.872 3.267 1.00 0.00 O ATOM 1368 CB LYS A 523 -2.178 -7.034 4.625 1.00 0.00 C ATOM 1369 CG LYS A 523 -1.453 -6.537 5.885 1.00 0.00 C ATOM 1370 CD LYS A 523 -1.059 -5.063 5.806 1.00 0.00 C ATOM 1371 CE LYS A 523 -0.479 -4.612 7.151 1.00 0.00 C ATOM 1372 NZ LYS A 523 -0.280 -3.142 7.181 1.00 0.00 N ATOM 0 H LYS A 523 -3.580 -8.024 2.951 1.00 0.00 H new ATOM 0 HA LYS A 523 -4.089 -7.036 5.635 1.00 0.00 H new ATOM 0 HB2 LYS A 523 -1.978 -8.098 4.501 1.00 0.00 H new ATOM 0 HB3 LYS A 523 -1.759 -6.528 3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 523 -2.097 -6.689 6.751 1.00 0.00 H new ATOM 0 HG3 LYS A 523 -0.558 -7.138 6.043 1.00 0.00 H new ATOM 0 HD2 LYS A 523 -0.325 -4.915 5.014 1.00 0.00 H new ATOM 0 HD3 LYS A 523 -1.929 -4.457 5.552 1.00 0.00 H new ATOM 0 HE2 LYS A 523 -1.150 -4.908 7.957 1.00 0.00 H new ATOM 0 HE3 LYS A 523 0.472 -5.115 7.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 523 -0.049 -2.843 8.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 523 0.501 -2.884 6.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 523 -1.152 -2.667 6.870 1.00 0.00 H new ATOM 1386 N PRO A 524 -4.631 -4.618 5.417 1.00 0.00 N ATOM 1387 CA PRO A 524 -4.979 -3.206 5.299 1.00 0.00 C ATOM 1388 C PRO A 524 -3.719 -2.326 5.328 1.00 0.00 C ATOM 1389 O PRO A 524 -2.991 -2.294 6.320 1.00 0.00 O ATOM 1390 CB PRO A 524 -5.919 -2.915 6.473 1.00 0.00 C ATOM 1391 CG PRO A 524 -5.459 -3.897 7.550 1.00 0.00 C ATOM 1392 CD PRO A 524 -4.993 -5.110 6.745 1.00 0.00 C ATOM 0 HA PRO A 524 -5.466 -2.981 4.350 1.00 0.00 H new ATOM 0 HB2 PRO A 524 -5.833 -1.882 6.809 1.00 0.00 H new ATOM 0 HB3 PRO A 524 -6.962 -3.077 6.202 1.00 0.00 H new ATOM 0 HG2 PRO A 524 -4.653 -3.482 8.155 1.00 0.00 H new ATOM 0 HG3 PRO A 524 -6.269 -4.154 8.232 1.00 0.00 H new ATOM 0 HD2 PRO A 524 -4.140 -5.589 7.226 1.00 0.00 H new ATOM 0 HD3 PRO A 524 -5.783 -5.858 6.679 1.00 0.00 H new ATOM 1400 N VAL A 525 -3.472 -1.600 4.237 1.00 0.00 N ATOM 1401 CA VAL A 525 -2.402 -0.594 4.106 1.00 0.00 C ATOM 1402 C VAL A 525 -2.990 0.814 4.119 1.00 0.00 C ATOM 1403 O VAL A 525 -4.066 1.039 3.570 1.00 0.00 O ATOM 1404 CB VAL A 525 -1.539 -0.803 2.841 1.00 0.00 C ATOM 1405 CG1 VAL A 525 -0.611 -2.001 3.083 1.00 0.00 C ATOM 1406 CG2 VAL A 525 -2.341 -0.994 1.539 1.00 0.00 C ATOM 0 H VAL A 525 -4.028 -1.695 3.387 1.00 0.00 H new ATOM 0 HA VAL A 525 -1.743 -0.719 4.965 1.00 0.00 H new ATOM 0 HB VAL A 525 -0.973 0.115 2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 525 0.008 -2.166 2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 525 0.029 -1.798 3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -1.209 -2.891 3.278 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -1.653 -1.133 0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -2.982 -1.871 1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -2.956 -0.113 1.358 1.00 0.00 H new ATOM 1416 N GLN A 526 -2.300 1.750 4.775 1.00 0.00 N ATOM 1417 CA GLN A 526 -2.756 3.128 4.955 1.00 0.00 C ATOM 1418 C GLN A 526 -2.504 3.931 3.675 1.00 0.00 C ATOM 1419 O GLN A 526 -1.393 3.930 3.152 1.00 0.00 O ATOM 1420 CB GLN A 526 -2.029 3.752 6.158 1.00 0.00 C ATOM 1421 CG GLN A 526 -2.722 5.041 6.638 1.00 0.00 C ATOM 1422 CD GLN A 526 -1.965 5.743 7.768 1.00 0.00 C ATOM 1423 OE1 GLN A 526 -1.653 6.925 7.699 1.00 0.00 O ATOM 1424 NE2 GLN A 526 -1.641 5.070 8.852 1.00 0.00 N ATOM 0 H GLN A 526 -1.393 1.567 5.203 1.00 0.00 H new ATOM 0 HA GLN A 526 -3.828 3.142 5.154 1.00 0.00 H new ATOM 0 HB2 GLN A 526 -1.994 3.032 6.975 1.00 0.00 H new ATOM 0 HB3 GLN A 526 -0.997 3.974 5.884 1.00 0.00 H new ATOM 0 HG2 GLN A 526 -2.825 5.726 5.797 1.00 0.00 H new ATOM 0 HG3 GLN A 526 -3.729 4.800 6.978 1.00 0.00 H new ATOM 0 HE21 GLN A 526 -1.890 4.084 8.934 1.00 0.00 H new ATOM 0 HE22 GLN A 526 -1.141 5.534 9.610 1.00 0.00 H new ATOM 1433 N ILE A 527 -3.526 4.630 3.180 1.00 0.00 N ATOM 1434 CA ILE A 527 -3.509 5.393 1.924 1.00 0.00 C ATOM 1435 C ILE A 527 -3.585 6.888 2.254 1.00 0.00 C ATOM 1436 O ILE A 527 -4.426 7.313 3.050 1.00 0.00 O ATOM 1437 CB ILE A 527 -4.688 4.951 1.018 1.00 0.00 C ATOM 1438 CG1 ILE A 527 -4.790 3.422 0.826 1.00 0.00 C ATOM 1439 CG2 ILE A 527 -4.629 5.634 -0.358 1.00 0.00 C ATOM 1440 CD1 ILE A 527 -3.550 2.748 0.232 1.00 0.00 C ATOM 0 H ILE A 527 -4.425 4.685 3.659 1.00 0.00 H new ATOM 0 HA ILE A 527 -2.586 5.201 1.378 1.00 0.00 H new ATOM 0 HB ILE A 527 -5.584 5.270 1.551 1.00 0.00 H new ATOM 0 HG12 ILE A 527 -5.002 2.965 1.793 1.00 0.00 H new ATOM 0 HG13 ILE A 527 -5.642 3.211 0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 527 -5.470 5.301 -0.966 1.00 0.00 H new ATOM 0 HG22 ILE A 527 -4.680 6.715 -0.230 1.00 0.00 H new ATOM 0 HG23 ILE A 527 -3.695 5.371 -0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 527 -3.727 1.677 0.139 1.00 0.00 H new ATOM 0 HD12 ILE A 527 -3.344 3.168 -0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 527 -2.695 2.919 0.886 1.00 0.00 H new ATOM 1452 N ARG A 528 -2.705 7.688 1.647 1.00 0.00 N ATOM 1453 CA ARG A 528 -2.536 9.119 1.938 1.00 0.00 C ATOM 1454 C ARG A 528 -2.328 9.906 0.627 1.00 0.00 C ATOM 1455 O ARG A 528 -1.179 10.092 0.210 1.00 0.00 O ATOM 1456 CB ARG A 528 -1.359 9.298 2.919 1.00 0.00 C ATOM 1457 CG ARG A 528 -1.621 8.760 4.336 1.00 0.00 C ATOM 1458 CD ARG A 528 -0.396 8.942 5.244 1.00 0.00 C ATOM 1459 NE ARG A 528 -0.349 10.275 5.874 1.00 0.00 N ATOM 1460 CZ ARG A 528 -0.477 10.538 7.172 1.00 0.00 C ATOM 1461 NH1 ARG A 528 -0.794 9.634 8.071 1.00 0.00 N ATOM 1462 NH2 ARG A 528 -0.280 11.754 7.629 1.00 0.00 N ATOM 0 H ARG A 528 -2.073 7.352 0.920 1.00 0.00 H new ATOM 0 HA ARG A 528 -3.434 9.518 2.410 1.00 0.00 H new ATOM 0 HB2 ARG A 528 -0.482 8.796 2.510 1.00 0.00 H new ATOM 0 HB3 ARG A 528 -1.117 10.359 2.986 1.00 0.00 H new ATOM 0 HG2 ARG A 528 -2.477 9.277 4.770 1.00 0.00 H new ATOM 0 HG3 ARG A 528 -1.881 7.703 4.282 1.00 0.00 H new ATOM 0 HD2 ARG A 528 -0.408 8.177 6.021 1.00 0.00 H new ATOM 0 HD3 ARG A 528 0.511 8.789 4.659 1.00 0.00 H new ATOM 0 HE ARG A 528 -0.204 11.072 5.255 1.00 0.00 H new ATOM 0 HH11 ARG A 528 -0.957 8.668 7.787 1.00 0.00 H new ATOM 0 HH12 ARG A 528 -0.877 9.898 9.053 1.00 0.00 H new ATOM 0 HH21 ARG A 528 -0.027 12.505 6.987 1.00 0.00 H new ATOM 0 HH22 ARG A 528 -0.380 11.947 8.626 1.00 0.00 H new ATOM 1476 N PRO A 529 -3.416 10.338 -0.049 1.00 0.00 N ATOM 1477 CA PRO A 529 -3.346 11.167 -1.253 1.00 0.00 C ATOM 1478 C PRO A 529 -2.657 12.505 -0.970 1.00 0.00 C ATOM 1479 O PRO A 529 -2.885 13.118 0.074 1.00 0.00 O ATOM 1480 CB PRO A 529 -4.796 11.359 -1.720 1.00 0.00 C ATOM 1481 CG PRO A 529 -5.529 10.165 -1.112 1.00 0.00 C ATOM 1482 CD PRO A 529 -4.803 9.980 0.219 1.00 0.00 C ATOM 0 HA PRO A 529 -2.748 10.690 -2.029 1.00 0.00 H new ATOM 0 HB2 PRO A 529 -5.209 12.305 -1.368 1.00 0.00 H new ATOM 0 HB3 PRO A 529 -4.870 11.364 -2.807 1.00 0.00 H new ATOM 0 HG2 PRO A 529 -6.591 10.368 -0.971 1.00 0.00 H new ATOM 0 HG3 PRO A 529 -5.455 9.279 -1.742 1.00 0.00 H new ATOM 0 HD2 PRO A 529 -5.231 10.617 0.993 1.00 0.00 H new ATOM 0 HD3 PRO A 529 -4.883 8.952 0.572 1.00 0.00 H new ATOM 1490 N TRP A 530 -1.801 12.954 -1.891 1.00 0.00 N ATOM 1491 CA TRP A 530 -0.960 14.137 -1.703 1.00 0.00 C ATOM 1492 C TRP A 530 -1.719 15.448 -1.985 1.00 0.00 C ATOM 1493 O TRP A 530 -2.183 15.682 -3.104 1.00 0.00 O ATOM 1494 CB TRP A 530 0.281 13.984 -2.592 1.00 0.00 C ATOM 1495 CG TRP A 530 1.368 14.987 -2.371 1.00 0.00 C ATOM 1496 CD1 TRP A 530 1.433 16.215 -2.934 1.00 0.00 C ATOM 1497 CD2 TRP A 530 2.571 14.862 -1.549 1.00 0.00 C ATOM 1498 NE1 TRP A 530 2.587 16.854 -2.526 1.00 0.00 N ATOM 1499 CE2 TRP A 530 3.332 16.063 -1.678 1.00 0.00 C ATOM 1500 CE3 TRP A 530 3.103 13.851 -0.717 1.00 0.00 C ATOM 1501 CZ2 TRP A 530 4.561 16.247 -1.024 1.00 0.00 C ATOM 1502 CZ3 TRP A 530 4.332 14.029 -0.050 1.00 0.00 C ATOM 1503 CH2 TRP A 530 5.061 15.222 -0.203 1.00 0.00 C ATOM 0 H TRP A 530 -1.672 12.502 -2.796 1.00 0.00 H new ATOM 0 HA TRP A 530 -0.657 14.204 -0.658 1.00 0.00 H new ATOM 0 HB2 TRP A 530 0.695 12.988 -2.437 1.00 0.00 H new ATOM 0 HB3 TRP A 530 -0.033 14.040 -3.634 1.00 0.00 H new ATOM 0 HD1 TRP A 530 0.694 16.633 -3.602 1.00 0.00 H new ATOM 0 HE1 TRP A 530 2.855 17.794 -2.816 1.00 0.00 H new ATOM 0 HE3 TRP A 530 2.559 12.927 -0.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 530 5.115 17.165 -1.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 530 4.717 13.243 0.583 1.00 0.00 H new ATOM 0 HH2 TRP A 530 6.003 15.350 0.309 1.00 0.00 H new