USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 408 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 Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -110:sc= -3.13! USER MOD Single : A 28 GLN : amide:sc= -0.556 K(o=-0.56,f=-2.1) USER MOD Single : A 29 ASN : amide:sc= -3.35! C(o=-3.4!,f=-4.7!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -58:sc= -0.28 USER MOD Single : A 45 LYS NZ :NH3+ -179:sc= 0 (180deg=-6.51e-05) USER MOD Single : A 46 MET CE :methyl -169:sc= 0 (180deg=-0.289) USER MOD Single : A 47 THR OG1 : rot -160:sc= 0.00679 USER MOD Single : A 53 SER OG : rot 76:sc= 1.02 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 174 N ARG A 14 -7.002 4.524 1.739 1.00 0.00 N ATOM 175 CA ARG A 14 -7.093 3.104 2.054 1.00 0.00 C ATOM 176 C ARG A 14 -7.846 2.884 3.363 1.00 0.00 C ATOM 177 O ARG A 14 -8.074 3.824 4.124 1.00 0.00 O ATOM 178 CB ARG A 14 -5.695 2.490 2.148 1.00 0.00 C ATOM 179 CG ARG A 14 -4.900 2.584 0.856 1.00 0.00 C ATOM 180 CD ARG A 14 -5.389 1.577 -0.174 1.00 0.00 C ATOM 181 NE ARG A 14 -5.094 2.003 -1.539 1.00 0.00 N ATOM 182 CZ ARG A 14 -5.766 1.577 -2.603 1.00 0.00 C ATOM 183 NH1 ARG A 14 -6.765 0.718 -2.460 1.00 0.00 N ATOM 184 NH2 ARG A 14 -5.438 2.011 -3.813 1.00 0.00 N ATOM 0 HA ARG A 14 -7.644 2.614 1.251 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.141 2.989 2.943 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.786 1.442 2.433 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.983 3.592 0.449 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.844 2.410 1.064 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -4.921 0.611 0.013 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.464 1.437 -0.062 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.330 2.664 -1.684 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.020 0.382 -1.531 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.279 0.393 -3.279 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.670 2.672 -3.927 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.954 1.684 -4.630 1.00 0.00 H new ATOM 198 N ALA A 15 -8.229 1.638 3.617 1.00 0.00 N ATOM 199 CA ALA A 15 -8.955 1.295 4.834 1.00 0.00 C ATOM 200 C ALA A 15 -8.028 1.299 6.045 1.00 0.00 C ATOM 201 O ALA A 15 -6.803 1.287 5.920 1.00 0.00 O ATOM 202 CB ALA A 15 -9.624 -0.063 4.684 1.00 0.00 C ATOM 0 H ALA A 15 -8.049 0.849 2.997 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.724 2.051 4.995 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.162 -0.307 5.600 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.324 -0.034 3.849 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.866 -0.823 4.496 1.00 0.00 H new ATOM 208 N PRO A 16 -8.624 1.318 7.247 1.00 0.00 N ATOM 209 CA PRO A 16 -7.870 1.325 8.504 1.00 0.00 C ATOM 210 C PRO A 16 -7.166 -0.003 8.765 1.00 0.00 C ATOM 211 O PRO A 16 -6.052 -0.032 9.286 1.00 0.00 O ATOM 212 CB PRO A 16 -8.947 1.576 9.562 1.00 0.00 C ATOM 213 CG PRO A 16 -10.208 1.074 8.946 1.00 0.00 C ATOM 214 CD PRO A 16 -10.079 1.333 7.470 1.00 0.00 C ATOM 0 HA PRO A 16 -7.076 2.072 8.499 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.722 1.048 10.489 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.021 2.635 9.808 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.344 0.011 9.145 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.076 1.589 9.358 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.584 0.566 6.882 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.519 2.290 7.190 1.00 0.00 H new ATOM 222 N GLU A 17 -7.824 -1.098 8.399 1.00 0.00 N ATOM 223 CA GLU A 17 -7.259 -2.428 8.595 1.00 0.00 C ATOM 224 C GLU A 17 -6.106 -2.678 7.627 1.00 0.00 C ATOM 225 O GLU A 17 -5.038 -3.142 8.025 1.00 0.00 O ATOM 226 CB GLU A 17 -8.338 -3.497 8.406 1.00 0.00 C ATOM 227 CG GLU A 17 -9.272 -3.636 9.596 1.00 0.00 C ATOM 228 CD GLU A 17 -10.583 -4.307 9.234 1.00 0.00 C ATOM 229 OE1 GLU A 17 -11.184 -3.920 8.210 1.00 0.00 O ATOM 230 OE2 GLU A 17 -11.008 -5.218 9.974 1.00 0.00 O ATOM 0 H GLU A 17 -8.747 -1.091 7.966 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.874 -2.485 9.613 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.925 -3.256 7.520 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.857 -4.457 8.218 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.776 -4.213 10.377 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.476 -2.649 10.010 1.00 0.00 H new ATOM 237 N GLN A 18 -6.331 -2.367 6.354 1.00 0.00 N ATOM 238 CA GLN A 18 -5.312 -2.559 5.330 1.00 0.00 C ATOM 239 C GLN A 18 -4.076 -1.717 5.628 1.00 0.00 C ATOM 240 O GLN A 18 -2.952 -2.223 5.627 1.00 0.00 O ATOM 241 CB GLN A 18 -5.869 -2.197 3.952 1.00 0.00 C ATOM 242 CG GLN A 18 -7.074 -3.030 3.545 1.00 0.00 C ATOM 243 CD GLN A 18 -7.678 -2.579 2.230 1.00 0.00 C ATOM 244 OE1 GLN A 18 -8.846 -2.192 2.170 1.00 0.00 O ATOM 245 NE2 GLN A 18 -6.885 -2.627 1.166 1.00 0.00 N ATOM 0 H GLN A 18 -7.210 -1.981 6.008 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.023 -3.610 5.333 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.148 -1.143 3.947 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.083 -2.322 3.207 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.777 -4.076 3.464 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.831 -2.973 4.327 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.924 -2.954 1.261 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.237 -2.336 0.254 1.00 0.00 H new ATOM 254 N LEU A 19 -4.289 -0.431 5.882 1.00 0.00 N ATOM 255 CA LEU A 19 -3.191 0.482 6.182 1.00 0.00 C ATOM 256 C LEU A 19 -2.323 -0.063 7.311 1.00 0.00 C ATOM 257 O LEU A 19 -1.107 -0.190 7.166 1.00 0.00 O ATOM 258 CB LEU A 19 -3.737 1.859 6.562 1.00 0.00 C ATOM 259 CG LEU A 19 -4.106 2.780 5.399 1.00 0.00 C ATOM 260 CD1 LEU A 19 -4.692 4.085 5.915 1.00 0.00 C ATOM 261 CD2 LEU A 19 -2.889 3.049 4.525 1.00 0.00 C ATOM 0 H LEU A 19 -5.212 0.004 5.886 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.574 0.576 5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.622 1.718 7.182 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.994 2.365 7.178 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.862 2.281 4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.948 4.727 5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.589 3.876 6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.959 4.589 6.545 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.170 3.706 3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.111 3.526 5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.513 2.107 4.125 1.00 0.00 H new ATOM 273 N ARG A 20 -2.955 -0.385 8.435 1.00 0.00 N ATOM 274 CA ARG A 20 -2.240 -0.918 9.588 1.00 0.00 C ATOM 275 C ARG A 20 -1.145 -1.886 9.150 1.00 0.00 C ATOM 276 O ARG A 20 -0.090 -1.971 9.778 1.00 0.00 O ATOM 277 CB ARG A 20 -3.212 -1.625 10.535 1.00 0.00 C ATOM 278 CG ARG A 20 -2.536 -2.257 11.741 1.00 0.00 C ATOM 279 CD ARG A 20 -3.401 -3.344 12.359 1.00 0.00 C ATOM 280 NE ARG A 20 -3.160 -4.648 11.747 1.00 0.00 N ATOM 281 CZ ARG A 20 -3.883 -5.730 12.015 1.00 0.00 C ATOM 282 NH1 ARG A 20 -4.887 -5.664 12.879 1.00 0.00 N ATOM 283 NH2 ARG A 20 -3.602 -6.881 11.418 1.00 0.00 N ATOM 0 H ARG A 20 -3.961 -0.286 8.571 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.774 -0.084 10.112 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.956 -0.907 10.881 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.747 -2.398 9.983 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.577 -2.680 11.442 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.327 -1.489 12.486 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.200 -3.403 13.429 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.452 -3.079 12.246 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.395 -4.733 11.078 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.106 -4.781 13.340 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.440 -6.496 13.083 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.831 -6.936 10.753 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.157 -7.711 11.624 1.00 0.00 H new ATOM 297 N ALA A 21 -1.404 -2.614 8.068 1.00 0.00 N ATOM 298 CA ALA A 21 -0.440 -3.574 7.545 1.00 0.00 C ATOM 299 C ALA A 21 0.576 -2.892 6.636 1.00 0.00 C ATOM 300 O ALA A 21 1.767 -3.203 6.676 1.00 0.00 O ATOM 301 CB ALA A 21 -1.158 -4.687 6.796 1.00 0.00 C ATOM 0 H ALA A 21 -2.273 -2.557 7.537 1.00 0.00 H new ATOM 0 HA ALA A 21 0.099 -4.007 8.388 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.426 -5.397 6.411 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.840 -5.201 7.474 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.723 -4.262 5.966 1.00 0.00 H new ATOM 307 N LEU A 22 0.099 -1.961 5.817 1.00 0.00 N ATOM 308 CA LEU A 22 0.967 -1.234 4.897 1.00 0.00 C ATOM 309 C LEU A 22 1.921 -0.318 5.656 1.00 0.00 C ATOM 310 O LEU A 22 3.139 -0.480 5.586 1.00 0.00 O ATOM 311 CB LEU A 22 0.129 -0.415 3.914 1.00 0.00 C ATOM 312 CG LEU A 22 -0.848 -1.205 3.043 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.851 -0.272 2.383 1.00 0.00 C ATOM 314 CD2 LEU A 22 -0.095 -2.010 1.994 1.00 0.00 C ATOM 0 H LEU A 22 -0.884 -1.692 5.771 1.00 0.00 H new ATOM 0 HA LEU A 22 1.558 -1.963 4.342 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.437 0.326 4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.806 0.133 3.259 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.395 -1.899 3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.538 -0.853 1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.413 0.260 3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.322 0.447 1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.806 -2.566 1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.478 -1.334 1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.583 -2.707 2.487 1.00 0.00 H new ATOM 326 N GLU A 23 1.359 0.642 6.383 1.00 0.00 N ATOM 327 CA GLU A 23 2.161 1.583 7.157 1.00 0.00 C ATOM 328 C GLU A 23 3.258 0.856 7.929 1.00 0.00 C ATOM 329 O GLU A 23 4.436 1.196 7.823 1.00 0.00 O ATOM 330 CB GLU A 23 1.274 2.367 8.126 1.00 0.00 C ATOM 331 CG GLU A 23 0.452 3.454 7.455 1.00 0.00 C ATOM 332 CD GLU A 23 1.282 4.666 7.079 1.00 0.00 C ATOM 333 OE1 GLU A 23 2.443 4.481 6.657 1.00 0.00 O ATOM 334 OE2 GLU A 23 0.773 5.798 7.209 1.00 0.00 O ATOM 0 H GLU A 23 0.352 0.789 6.453 1.00 0.00 H new ATOM 0 HA GLU A 23 2.630 2.279 6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.601 1.674 8.631 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.901 2.819 8.894 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.018 3.048 6.559 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.351 3.762 8.124 1.00 0.00 H new ATOM 341 N SER A 24 2.861 -0.147 8.706 1.00 0.00 N ATOM 342 CA SER A 24 3.809 -0.920 9.500 1.00 0.00 C ATOM 343 C SER A 24 4.933 -1.466 8.624 1.00 0.00 C ATOM 344 O SER A 24 6.106 -1.409 8.994 1.00 0.00 O ATOM 345 CB SER A 24 3.094 -2.073 10.207 1.00 0.00 C ATOM 346 OG SER A 24 3.911 -2.635 11.220 1.00 0.00 O ATOM 0 H SER A 24 1.890 -0.443 8.803 1.00 0.00 H new ATOM 0 HA SER A 24 4.243 -0.257 10.248 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.162 -1.714 10.644 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.830 -2.841 9.480 1.00 0.00 H new ATOM 0 HG SER A 24 3.431 -3.369 11.658 1.00 0.00 H new ATOM 352 N SER A 25 4.566 -1.994 7.461 1.00 0.00 N ATOM 353 CA SER A 25 5.542 -2.554 6.533 1.00 0.00 C ATOM 354 C SER A 25 6.408 -1.454 5.928 1.00 0.00 C ATOM 355 O SER A 25 7.588 -1.663 5.645 1.00 0.00 O ATOM 356 CB SER A 25 4.833 -3.331 5.422 1.00 0.00 C ATOM 357 OG SER A 25 5.768 -3.973 4.573 1.00 0.00 O ATOM 0 H SER A 25 3.600 -2.046 7.139 1.00 0.00 H new ATOM 0 HA SER A 25 6.186 -3.236 7.088 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.166 -4.073 5.861 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.213 -2.652 4.837 1.00 0.00 H new ATOM 0 HG SER A 25 5.769 -3.535 3.696 1.00 0.00 H new ATOM 363 N PHE A 26 5.814 -0.282 5.731 1.00 0.00 N ATOM 364 CA PHE A 26 6.530 0.851 5.157 1.00 0.00 C ATOM 365 C PHE A 26 7.759 1.197 5.993 1.00 0.00 C ATOM 366 O PHE A 26 8.865 1.319 5.468 1.00 0.00 O ATOM 367 CB PHE A 26 5.607 2.068 5.060 1.00 0.00 C ATOM 368 CG PHE A 26 6.227 3.235 4.346 1.00 0.00 C ATOM 369 CD1 PHE A 26 6.785 3.078 3.088 1.00 0.00 C ATOM 370 CD2 PHE A 26 6.251 4.490 4.934 1.00 0.00 C ATOM 371 CE1 PHE A 26 7.357 4.150 2.430 1.00 0.00 C ATOM 372 CE2 PHE A 26 6.822 5.566 4.280 1.00 0.00 C ATOM 373 CZ PHE A 26 7.375 5.396 3.026 1.00 0.00 C ATOM 0 H PHE A 26 4.838 -0.092 5.960 1.00 0.00 H new ATOM 0 HA PHE A 26 6.859 0.572 4.156 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.692 1.780 4.542 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.320 2.378 6.065 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.773 2.107 2.616 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.819 4.629 5.914 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.790 4.014 1.450 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.836 6.539 4.749 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.820 6.235 2.513 1.00 0.00 H new ATOM 383 N ALA A 27 7.556 1.354 7.297 1.00 0.00 N ATOM 384 CA ALA A 27 8.646 1.684 8.206 1.00 0.00 C ATOM 385 C ALA A 27 9.905 0.895 7.861 1.00 0.00 C ATOM 386 O ALA A 27 10.985 1.468 7.711 1.00 0.00 O ATOM 387 CB ALA A 27 8.232 1.418 9.645 1.00 0.00 C ATOM 0 H ALA A 27 6.646 1.258 7.747 1.00 0.00 H new ATOM 0 HA ALA A 27 8.871 2.745 8.095 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.056 1.669 10.313 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.365 2.030 9.893 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.978 0.364 9.762 1.00 0.00 H new ATOM 393 N GLN A 28 9.759 -0.420 7.738 1.00 0.00 N ATOM 394 CA GLN A 28 10.887 -1.286 7.412 1.00 0.00 C ATOM 395 C GLN A 28 11.499 -0.901 6.070 1.00 0.00 C ATOM 396 O GLN A 28 12.695 -0.626 5.979 1.00 0.00 O ATOM 397 CB GLN A 28 10.441 -2.749 7.382 1.00 0.00 C ATOM 398 CG GLN A 28 9.953 -3.265 8.726 1.00 0.00 C ATOM 399 CD GLN A 28 11.052 -3.301 9.770 1.00 0.00 C ATOM 400 OE1 GLN A 28 11.529 -2.260 10.222 1.00 0.00 O ATOM 401 NE2 GLN A 28 11.459 -4.503 10.160 1.00 0.00 N ATOM 0 H GLN A 28 8.872 -0.909 7.859 1.00 0.00 H new ATOM 0 HA GLN A 28 11.645 -1.160 8.185 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.643 -2.862 6.648 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.274 -3.367 7.046 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.140 -2.631 9.081 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.544 -4.267 8.600 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.036 -5.340 9.759 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.195 -4.590 10.861 1.00 0.00 H new ATOM 410 N ASN A 29 10.672 -0.883 5.030 1.00 0.00 N ATOM 411 CA ASN A 29 11.133 -0.532 3.692 1.00 0.00 C ATOM 412 C ASN A 29 10.012 0.113 2.883 1.00 0.00 C ATOM 413 O ASN A 29 8.845 -0.265 2.980 1.00 0.00 O ATOM 414 CB ASN A 29 11.650 -1.776 2.966 1.00 0.00 C ATOM 415 CG ASN A 29 10.954 -3.043 3.422 1.00 0.00 C ATOM 416 OD1 ASN A 29 11.134 -3.491 4.555 1.00 0.00 O ATOM 417 ND2 ASN A 29 10.153 -3.629 2.539 1.00 0.00 N ATOM 0 H ASN A 29 9.679 -1.107 5.088 1.00 0.00 H new ATOM 0 HA ASN A 29 11.946 0.187 3.791 1.00 0.00 H new ATOM 0 HB2 ASN A 29 11.507 -1.652 1.893 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.722 -1.873 3.136 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.658 -4.485 2.789 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.033 -3.223 1.611 1.00 0.00 H new ATOM 424 N PRO A 30 10.374 1.111 2.063 1.00 0.00 N ATOM 425 CA PRO A 30 9.415 1.830 1.219 1.00 0.00 C ATOM 426 C PRO A 30 8.876 0.964 0.086 1.00 0.00 C ATOM 427 O PRO A 30 7.668 0.915 -0.151 1.00 0.00 O ATOM 428 CB PRO A 30 10.237 2.993 0.658 1.00 0.00 C ATOM 429 CG PRO A 30 11.647 2.512 0.693 1.00 0.00 C ATOM 430 CD PRO A 30 11.748 1.615 1.896 1.00 0.00 C ATOM 0 HA PRO A 30 8.535 2.144 1.780 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.929 3.242 -0.357 1.00 0.00 H new ATOM 0 HB3 PRO A 30 10.111 3.893 1.259 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.898 1.971 -0.219 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.343 3.348 0.770 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.457 0.803 1.733 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.086 2.161 2.777 1.00 0.00 H new ATOM 438 N LEU A 31 9.778 0.281 -0.611 1.00 0.00 N ATOM 439 CA LEU A 31 9.393 -0.585 -1.719 1.00 0.00 C ATOM 440 C LEU A 31 9.789 -2.032 -1.443 1.00 0.00 C ATOM 441 O LEU A 31 10.867 -2.490 -1.822 1.00 0.00 O ATOM 442 CB LEU A 31 10.044 -0.105 -3.017 1.00 0.00 C ATOM 443 CG LEU A 31 9.525 1.219 -3.579 1.00 0.00 C ATOM 444 CD1 LEU A 31 10.196 1.535 -4.907 1.00 0.00 C ATOM 445 CD2 LEU A 31 8.013 1.173 -3.741 1.00 0.00 C ATOM 0 H LEU A 31 10.781 0.311 -0.428 1.00 0.00 H new ATOM 0 HA LEU A 31 8.309 -0.538 -1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 31 11.117 -0.009 -2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.908 -0.876 -3.775 1.00 0.00 H new ATOM 0 HG LEU A 31 9.771 2.013 -2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.814 2.481 -5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.274 1.611 -4.761 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.982 0.740 -5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.661 2.123 -4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.745 0.369 -4.426 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.548 0.994 -2.771 1.00 0.00 H new ATOM 457 N PRO A 32 8.896 -2.771 -0.768 1.00 0.00 N ATOM 458 CA PRO A 32 9.129 -4.178 -0.429 1.00 0.00 C ATOM 459 C PRO A 32 9.098 -5.084 -1.655 1.00 0.00 C ATOM 460 O PRO A 32 8.534 -4.725 -2.690 1.00 0.00 O ATOM 461 CB PRO A 32 7.969 -4.513 0.512 1.00 0.00 C ATOM 462 CG PRO A 32 6.892 -3.552 0.142 1.00 0.00 C ATOM 463 CD PRO A 32 7.591 -2.291 -0.285 1.00 0.00 C ATOM 0 HA PRO A 32 10.113 -4.332 0.013 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.640 -5.544 0.384 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.260 -4.399 1.556 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.275 -3.949 -0.665 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.230 -3.364 0.987 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.039 -1.771 -1.068 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.702 -1.592 0.544 1.00 0.00 H new ATOM 471 N LEU A 33 9.707 -6.258 -1.533 1.00 0.00 N ATOM 472 CA LEU A 33 9.748 -7.216 -2.633 1.00 0.00 C ATOM 473 C LEU A 33 8.484 -8.069 -2.660 1.00 0.00 C ATOM 474 O LEU A 33 7.610 -7.928 -1.805 1.00 0.00 O ATOM 475 CB LEU A 33 10.980 -8.114 -2.507 1.00 0.00 C ATOM 476 CG LEU A 33 12.326 -7.452 -2.804 1.00 0.00 C ATOM 477 CD1 LEU A 33 13.472 -8.383 -2.438 1.00 0.00 C ATOM 478 CD2 LEU A 33 12.411 -7.051 -4.270 1.00 0.00 C ATOM 0 H LEU A 33 10.179 -6.570 -0.684 1.00 0.00 H new ATOM 0 HA LEU A 33 9.807 -6.657 -3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.011 -8.515 -1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.858 -8.961 -3.182 1.00 0.00 H new ATOM 0 HG LEU A 33 12.408 -6.551 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.422 -7.894 -2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.422 -8.621 -1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.394 -9.302 -3.020 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.375 -6.581 -4.463 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.307 -7.937 -4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.612 -6.347 -4.502 1.00 0.00 H new ATOM 490 N ASP A 34 8.396 -8.955 -3.646 1.00 0.00 N ATOM 491 CA ASP A 34 7.240 -9.833 -3.784 1.00 0.00 C ATOM 492 C ASP A 34 7.024 -10.649 -2.513 1.00 0.00 C ATOM 493 O ASP A 34 5.914 -10.711 -1.986 1.00 0.00 O ATOM 494 CB ASP A 34 7.423 -10.769 -4.980 1.00 0.00 C ATOM 495 CG ASP A 34 8.874 -11.145 -5.204 1.00 0.00 C ATOM 496 OD1 ASP A 34 9.526 -11.597 -4.240 1.00 0.00 O ATOM 497 OD2 ASP A 34 9.358 -10.988 -6.345 1.00 0.00 O ATOM 0 H ASP A 34 9.111 -9.084 -4.361 1.00 0.00 H new ATOM 0 HA ASP A 34 6.360 -9.211 -3.950 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.836 -11.674 -4.822 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.033 -10.288 -5.877 1.00 0.00 H new ATOM 502 N GLU A 35 8.092 -11.274 -2.027 1.00 0.00 N ATOM 503 CA GLU A 35 8.018 -12.087 -0.819 1.00 0.00 C ATOM 504 C GLU A 35 7.355 -11.314 0.317 1.00 0.00 C ATOM 505 O GLU A 35 6.310 -11.717 0.828 1.00 0.00 O ATOM 506 CB GLU A 35 9.417 -12.539 -0.395 1.00 0.00 C ATOM 507 CG GLU A 35 10.172 -13.284 -1.483 1.00 0.00 C ATOM 508 CD GLU A 35 11.372 -14.039 -0.948 1.00 0.00 C ATOM 509 OE1 GLU A 35 11.181 -15.143 -0.396 1.00 0.00 O ATOM 510 OE2 GLU A 35 12.503 -13.527 -1.080 1.00 0.00 O ATOM 0 H GLU A 35 9.019 -11.233 -2.451 1.00 0.00 H new ATOM 0 HA GLU A 35 7.412 -12.966 -1.040 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.996 -11.666 -0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.332 -13.181 0.481 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.496 -13.984 -1.974 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.503 -12.574 -2.242 1.00 0.00 H new ATOM 517 N GLU A 36 7.970 -10.202 0.707 1.00 0.00 N ATOM 518 CA GLU A 36 7.441 -9.374 1.784 1.00 0.00 C ATOM 519 C GLU A 36 6.012 -8.932 1.478 1.00 0.00 C ATOM 520 O GLU A 36 5.182 -8.807 2.379 1.00 0.00 O ATOM 521 CB GLU A 36 8.330 -8.148 1.999 1.00 0.00 C ATOM 522 CG GLU A 36 7.765 -7.153 2.999 1.00 0.00 C ATOM 523 CD GLU A 36 7.535 -7.767 4.366 1.00 0.00 C ATOM 524 OE1 GLU A 36 8.448 -8.454 4.869 1.00 0.00 O ATOM 525 OE2 GLU A 36 6.441 -7.560 4.932 1.00 0.00 O ATOM 0 H GLU A 36 8.835 -9.854 0.293 1.00 0.00 H new ATOM 0 HA GLU A 36 7.432 -9.971 2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.311 -8.477 2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.478 -7.645 1.043 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.450 -6.310 3.094 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.823 -6.757 2.619 1.00 0.00 H new ATOM 532 N LEU A 37 5.733 -8.696 0.201 1.00 0.00 N ATOM 533 CA LEU A 37 4.406 -8.267 -0.226 1.00 0.00 C ATOM 534 C LEU A 37 3.392 -9.396 -0.068 1.00 0.00 C ATOM 535 O LEU A 37 2.235 -9.161 0.281 1.00 0.00 O ATOM 536 CB LEU A 37 4.442 -7.800 -1.682 1.00 0.00 C ATOM 537 CG LEU A 37 4.942 -6.374 -1.916 1.00 0.00 C ATOM 538 CD1 LEU A 37 5.279 -6.160 -3.384 1.00 0.00 C ATOM 539 CD2 LEU A 37 3.905 -5.362 -1.452 1.00 0.00 C ATOM 0 H LEU A 37 6.408 -8.795 -0.557 1.00 0.00 H new ATOM 0 HA LEU A 37 4.099 -7.435 0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.076 -8.483 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.437 -7.884 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 37 5.850 -6.228 -1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.633 -5.140 -3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.058 -6.861 -3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.388 -6.326 -3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.278 -4.353 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.980 -5.508 -2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.713 -5.499 -0.388 1.00 0.00 H new ATOM 551 N ASP A 38 3.835 -10.622 -0.325 1.00 0.00 N ATOM 552 CA ASP A 38 2.968 -11.789 -0.208 1.00 0.00 C ATOM 553 C ASP A 38 2.362 -11.878 1.189 1.00 0.00 C ATOM 554 O ASP A 38 1.184 -12.198 1.346 1.00 0.00 O ATOM 555 CB ASP A 38 3.749 -13.065 -0.522 1.00 0.00 C ATOM 556 CG ASP A 38 2.954 -14.320 -0.219 1.00 0.00 C ATOM 557 OD1 ASP A 38 1.728 -14.317 -0.456 1.00 0.00 O ATOM 558 OD2 ASP A 38 3.558 -15.305 0.254 1.00 0.00 O ATOM 0 H ASP A 38 4.790 -10.833 -0.616 1.00 0.00 H new ATOM 0 HA ASP A 38 2.158 -11.683 -0.929 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.033 -13.064 -1.574 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.672 -13.074 0.058 1.00 0.00 H new ATOM 563 N ARG A 39 3.176 -11.594 2.200 1.00 0.00 N ATOM 564 CA ARG A 39 2.722 -11.645 3.585 1.00 0.00 C ATOM 565 C ARG A 39 1.626 -10.613 3.835 1.00 0.00 C ATOM 566 O ARG A 39 0.507 -10.960 4.215 1.00 0.00 O ATOM 567 CB ARG A 39 3.893 -11.402 4.538 1.00 0.00 C ATOM 568 CG ARG A 39 4.721 -12.646 4.815 1.00 0.00 C ATOM 569 CD ARG A 39 4.066 -13.529 5.866 1.00 0.00 C ATOM 570 NE ARG A 39 4.642 -14.871 5.890 1.00 0.00 N ATOM 571 CZ ARG A 39 4.352 -15.778 6.816 1.00 0.00 C ATOM 572 NH1 ARG A 39 3.498 -15.489 7.787 1.00 0.00 N ATOM 573 NH2 ARG A 39 4.917 -16.978 6.770 1.00 0.00 N ATOM 0 H ARG A 39 4.154 -11.326 2.086 1.00 0.00 H new ATOM 0 HA ARG A 39 2.313 -12.638 3.771 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.539 -10.632 4.117 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.508 -11.014 5.481 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.850 -13.212 3.892 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.716 -12.355 5.152 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.179 -13.069 6.848 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.997 -13.597 5.667 1.00 0.00 H new ATOM 0 HE ARG A 39 5.303 -15.125 5.156 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.061 -14.568 7.825 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.277 -16.188 8.497 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.574 -17.204 6.023 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.694 -17.674 7.481 1.00 0.00 H new ATOM 587 N LEU A 40 1.955 -9.344 3.620 1.00 0.00 N ATOM 588 CA LEU A 40 0.999 -8.261 3.822 1.00 0.00 C ATOM 589 C LEU A 40 -0.313 -8.551 3.101 1.00 0.00 C ATOM 590 O LEU A 40 -1.395 -8.331 3.646 1.00 0.00 O ATOM 591 CB LEU A 40 1.585 -6.938 3.327 1.00 0.00 C ATOM 592 CG LEU A 40 2.839 -6.446 4.052 1.00 0.00 C ATOM 593 CD1 LEU A 40 3.476 -5.293 3.293 1.00 0.00 C ATOM 594 CD2 LEU A 40 2.502 -6.029 5.476 1.00 0.00 C ATOM 0 H LEU A 40 2.876 -9.040 3.306 1.00 0.00 H new ATOM 0 HA LEU A 40 0.795 -8.184 4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.819 -7.041 2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.816 -6.170 3.410 1.00 0.00 H new ATOM 0 HG LEU A 40 3.556 -7.266 4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.367 -4.956 3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.753 -5.625 2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.765 -4.470 3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.406 -5.682 5.977 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.767 -5.225 5.455 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.092 -6.882 6.017 1.00 0.00 H new ATOM 606 N ARG A 41 -0.210 -9.047 1.872 1.00 0.00 N ATOM 607 CA ARG A 41 -1.389 -9.368 1.076 1.00 0.00 C ATOM 608 C ARG A 41 -2.437 -10.084 1.922 1.00 0.00 C ATOM 609 O ARG A 41 -3.638 -9.929 1.702 1.00 0.00 O ATOM 610 CB ARG A 41 -1.001 -10.240 -0.120 1.00 0.00 C ATOM 611 CG ARG A 41 -0.641 -9.443 -1.363 1.00 0.00 C ATOM 612 CD ARG A 41 -0.782 -10.282 -2.623 1.00 0.00 C ATOM 613 NE ARG A 41 -2.064 -10.980 -2.675 1.00 0.00 N ATOM 614 CZ ARG A 41 -2.348 -11.930 -3.558 1.00 0.00 C ATOM 615 NH1 ARG A 41 -1.445 -12.295 -4.458 1.00 0.00 N ATOM 616 NH2 ARG A 41 -3.537 -12.519 -3.542 1.00 0.00 N ATOM 0 H ARG A 41 0.678 -9.235 1.406 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.817 -8.434 0.712 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.153 -10.867 0.158 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.829 -10.909 -0.355 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.286 -8.567 -1.434 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.383 -9.079 -1.279 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.683 -9.641 -3.499 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.029 -11.009 -2.667 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.780 -10.724 -1.996 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.529 -11.846 -4.473 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.666 -13.025 -5.135 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.234 -12.242 -2.851 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.754 -13.249 -4.221 1.00 0.00 H new ATOM 630 N SER A 42 -1.975 -10.869 2.890 1.00 0.00 N ATOM 631 CA SER A 42 -2.872 -11.613 3.766 1.00 0.00 C ATOM 632 C SER A 42 -3.744 -10.664 4.582 1.00 0.00 C ATOM 633 O SER A 42 -4.938 -10.902 4.763 1.00 0.00 O ATOM 634 CB SER A 42 -2.071 -12.520 4.702 1.00 0.00 C ATOM 635 OG SER A 42 -2.873 -12.984 5.773 1.00 0.00 O ATOM 0 H SER A 42 -0.984 -11.006 3.087 1.00 0.00 H new ATOM 0 HA SER A 42 -3.520 -12.229 3.143 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.679 -13.370 4.143 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.213 -11.975 5.096 1.00 0.00 H new ATOM 0 HG SER A 42 -2.338 -13.563 6.356 1.00 0.00 H new ATOM 641 N GLU A 43 -3.138 -9.587 5.072 1.00 0.00 N ATOM 642 CA GLU A 43 -3.858 -8.602 5.870 1.00 0.00 C ATOM 643 C GLU A 43 -4.556 -7.582 4.975 1.00 0.00 C ATOM 644 O GLU A 43 -5.757 -7.342 5.107 1.00 0.00 O ATOM 645 CB GLU A 43 -2.900 -7.887 6.825 1.00 0.00 C ATOM 646 CG GLU A 43 -2.120 -8.831 7.724 1.00 0.00 C ATOM 647 CD GLU A 43 -1.765 -8.206 9.060 1.00 0.00 C ATOM 648 OE1 GLU A 43 -1.348 -7.030 9.072 1.00 0.00 O ATOM 649 OE2 GLU A 43 -1.907 -8.894 10.092 1.00 0.00 O ATOM 0 H GLU A 43 -2.150 -9.375 4.930 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.615 -9.128 6.452 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.198 -7.290 6.243 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.469 -7.195 7.446 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.708 -9.733 7.894 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.205 -9.137 7.216 1.00 0.00 H new ATOM 656 N THR A 44 -3.795 -6.984 4.064 1.00 0.00 N ATOM 657 CA THR A 44 -4.339 -5.989 3.148 1.00 0.00 C ATOM 658 C THR A 44 -5.361 -6.612 2.204 1.00 0.00 C ATOM 659 O THR A 44 -6.267 -5.934 1.719 1.00 0.00 O ATOM 660 CB THR A 44 -3.226 -5.325 2.316 1.00 0.00 C ATOM 661 OG1 THR A 44 -2.491 -6.321 1.597 1.00 0.00 O ATOM 662 CG2 THR A 44 -2.281 -4.535 3.209 1.00 0.00 C ATOM 0 H THR A 44 -2.800 -7.171 3.941 1.00 0.00 H new ATOM 0 HA THR A 44 -4.828 -5.230 3.759 1.00 0.00 H new ATOM 0 HB THR A 44 -3.692 -4.638 1.609 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.114 -6.968 2.228 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.503 -4.075 2.599 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.839 -3.758 3.732 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.823 -5.205 3.937 1.00 0.00 H new ATOM 670 N LYS A 45 -5.211 -7.906 1.947 1.00 0.00 N ATOM 671 CA LYS A 45 -6.122 -8.622 1.062 1.00 0.00 C ATOM 672 C LYS A 45 -6.127 -8.002 -0.332 1.00 0.00 C ATOM 673 O LYS A 45 -7.176 -7.878 -0.962 1.00 0.00 O ATOM 674 CB LYS A 45 -7.539 -8.614 1.640 1.00 0.00 C ATOM 675 CG LYS A 45 -7.777 -9.693 2.682 1.00 0.00 C ATOM 676 CD LYS A 45 -7.336 -9.241 4.064 1.00 0.00 C ATOM 677 CE LYS A 45 -7.893 -10.148 5.151 1.00 0.00 C ATOM 678 NZ LYS A 45 -9.317 -9.838 5.455 1.00 0.00 N ATOM 0 H LYS A 45 -4.466 -8.482 2.340 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.775 -9.652 0.981 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.734 -7.639 2.087 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.254 -8.741 0.828 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.836 -9.952 2.704 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.234 -10.596 2.403 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.247 -9.235 4.116 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.669 -8.218 4.237 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.807 -11.188 4.836 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.296 -10.039 6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.655 -10.466 6.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.399 -8.848 5.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.894 -9.983 4.602 1.00 0.00 H new ATOM 692 N MET A 46 -4.947 -7.615 -0.806 1.00 0.00 N ATOM 693 CA MET A 46 -4.816 -7.010 -2.127 1.00 0.00 C ATOM 694 C MET A 46 -3.774 -7.748 -2.961 1.00 0.00 C ATOM 695 O MET A 46 -3.208 -8.750 -2.524 1.00 0.00 O ATOM 696 CB MET A 46 -4.433 -5.534 -1.999 1.00 0.00 C ATOM 697 CG MET A 46 -5.491 -4.690 -1.307 1.00 0.00 C ATOM 698 SD MET A 46 -5.491 -2.977 -1.871 1.00 0.00 S ATOM 699 CE MET A 46 -3.799 -2.505 -1.519 1.00 0.00 C ATOM 0 H MET A 46 -4.069 -7.709 -0.296 1.00 0.00 H new ATOM 0 HA MET A 46 -5.779 -7.085 -2.632 1.00 0.00 H new ATOM 0 HB2 MET A 46 -3.498 -5.456 -1.444 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.248 -5.127 -2.993 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.473 -5.127 -1.486 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.323 -4.714 -0.230 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.692 -1.426 -1.628 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.545 -2.794 -0.499 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.128 -3.008 -2.216 1.00 0.00 H new ATOM 709 N THR A 47 -3.524 -7.245 -4.167 1.00 0.00 N ATOM 710 CA THR A 47 -2.551 -7.857 -5.063 1.00 0.00 C ATOM 711 C THR A 47 -1.231 -7.095 -5.045 1.00 0.00 C ATOM 712 O THR A 47 -1.156 -5.976 -4.536 1.00 0.00 O ATOM 713 CB THR A 47 -3.078 -7.914 -6.509 1.00 0.00 C ATOM 714 OG1 THR A 47 -3.778 -6.705 -6.824 1.00 0.00 O ATOM 715 CG2 THR A 47 -4.003 -9.106 -6.702 1.00 0.00 C ATOM 0 H THR A 47 -3.982 -6.416 -4.545 1.00 0.00 H new ATOM 0 HA THR A 47 -2.386 -8.873 -4.704 1.00 0.00 H new ATOM 0 HB THR A 47 -2.225 -8.024 -7.178 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.367 -6.859 -7.592 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.362 -9.125 -7.731 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.459 -10.027 -6.491 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.851 -9.022 -6.023 1.00 0.00 H new ATOM 723 N ARG A 48 -0.192 -7.707 -5.603 1.00 0.00 N ATOM 724 CA ARG A 48 1.126 -7.085 -5.650 1.00 0.00 C ATOM 725 C ARG A 48 1.066 -5.736 -6.361 1.00 0.00 C ATOM 726 O ARG A 48 1.652 -4.755 -5.903 1.00 0.00 O ATOM 727 CB ARG A 48 2.122 -8.004 -6.360 1.00 0.00 C ATOM 728 CG ARG A 48 2.851 -8.953 -5.422 1.00 0.00 C ATOM 729 CD ARG A 48 1.876 -9.773 -4.591 1.00 0.00 C ATOM 730 NE ARG A 48 1.330 -10.900 -5.342 1.00 0.00 N ATOM 731 CZ ARG A 48 2.031 -11.985 -5.653 1.00 0.00 C ATOM 732 NH1 ARG A 48 3.298 -12.089 -5.278 1.00 0.00 N ATOM 733 NH2 ARG A 48 1.463 -12.969 -6.339 1.00 0.00 N ATOM 0 H ARG A 48 -0.237 -8.633 -6.029 1.00 0.00 H new ATOM 0 HA ARG A 48 1.460 -6.921 -4.625 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.592 -8.587 -7.113 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.855 -7.393 -6.887 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.488 -9.621 -6.001 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.504 -8.383 -4.761 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.382 -10.143 -3.699 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.061 -9.133 -4.253 1.00 0.00 H new ATOM 0 HE ARG A 48 0.357 -10.852 -5.644 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.737 -11.335 -4.749 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.834 -12.923 -5.518 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.488 -12.893 -6.628 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.002 -13.802 -6.577 1.00 0.00 H new ATOM 747 N ARG A 49 0.355 -5.696 -7.483 1.00 0.00 N ATOM 748 CA ARG A 49 0.220 -4.469 -8.259 1.00 0.00 C ATOM 749 C ARG A 49 -0.566 -3.418 -7.480 1.00 0.00 C ATOM 750 O ARG A 49 -0.231 -2.234 -7.507 1.00 0.00 O ATOM 751 CB ARG A 49 -0.474 -4.756 -9.591 1.00 0.00 C ATOM 752 CG ARG A 49 -1.911 -5.228 -9.441 1.00 0.00 C ATOM 753 CD ARG A 49 -2.455 -5.783 -10.748 1.00 0.00 C ATOM 754 NE ARG A 49 -3.516 -6.762 -10.527 1.00 0.00 N ATOM 755 CZ ARG A 49 -3.949 -7.599 -11.463 1.00 0.00 C ATOM 756 NH1 ARG A 49 -3.416 -7.576 -12.677 1.00 0.00 N ATOM 757 NH2 ARG A 49 -4.918 -8.462 -11.186 1.00 0.00 N ATOM 0 H ARG A 49 -0.137 -6.499 -7.875 1.00 0.00 H new ATOM 0 HA ARG A 49 1.219 -4.081 -8.455 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.459 -3.852 -10.201 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.094 -5.514 -10.131 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.964 -5.995 -8.669 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.535 -4.398 -9.109 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.838 -4.965 -11.358 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.645 -6.247 -11.310 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.948 -6.805 -9.604 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.671 -6.914 -12.894 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.751 -8.220 -13.393 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.331 -8.483 -10.254 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.250 -9.104 -11.905 1.00 0.00 H new ATOM 771 N GLU A 50 -1.611 -3.860 -6.789 1.00 0.00 N ATOM 772 CA GLU A 50 -2.445 -2.956 -6.004 1.00 0.00 C ATOM 773 C GLU A 50 -1.637 -2.304 -4.886 1.00 0.00 C ATOM 774 O GLU A 50 -1.659 -1.084 -4.720 1.00 0.00 O ATOM 775 CB GLU A 50 -3.638 -3.710 -5.414 1.00 0.00 C ATOM 776 CG GLU A 50 -4.823 -3.810 -6.359 1.00 0.00 C ATOM 777 CD GLU A 50 -5.505 -2.474 -6.583 1.00 0.00 C ATOM 778 OE1 GLU A 50 -4.991 -1.675 -7.394 1.00 0.00 O ATOM 779 OE2 GLU A 50 -6.551 -2.227 -5.948 1.00 0.00 O ATOM 0 H GLU A 50 -1.901 -4.837 -6.756 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.812 -2.173 -6.667 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.320 -4.715 -5.136 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.955 -3.211 -4.498 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.487 -4.207 -7.317 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.546 -4.520 -5.956 1.00 0.00 H new ATOM 786 N ILE A 51 -0.925 -3.126 -4.122 1.00 0.00 N ATOM 787 CA ILE A 51 -0.110 -2.630 -3.019 1.00 0.00 C ATOM 788 C ILE A 51 1.098 -1.856 -3.535 1.00 0.00 C ATOM 789 O ILE A 51 1.393 -0.758 -3.061 1.00 0.00 O ATOM 790 CB ILE A 51 0.377 -3.779 -2.118 1.00 0.00 C ATOM 791 CG1 ILE A 51 -0.814 -4.590 -1.601 1.00 0.00 C ATOM 792 CG2 ILE A 51 1.196 -3.232 -0.958 1.00 0.00 C ATOM 793 CD1 ILE A 51 -0.420 -5.914 -0.984 1.00 0.00 C ATOM 0 H ILE A 51 -0.896 -4.138 -4.246 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.743 -1.964 -2.433 1.00 0.00 H new ATOM 0 HB ILE A 51 1.014 -4.439 -2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.352 -3.999 -0.860 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.504 -4.773 -2.425 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.533 -4.057 -0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.061 -2.694 -1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.581 -2.553 -0.367 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.313 -6.435 -0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.092 -6.524 -1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.246 -5.738 -0.139 1.00 0.00 H new ATOM 805 N ASP A 52 1.793 -2.434 -4.508 1.00 0.00 N ATOM 806 CA ASP A 52 2.969 -1.798 -5.090 1.00 0.00 C ATOM 807 C ASP A 52 2.694 -0.330 -5.401 1.00 0.00 C ATOM 808 O ASP A 52 3.544 0.532 -5.177 1.00 0.00 O ATOM 809 CB ASP A 52 3.394 -2.531 -6.363 1.00 0.00 C ATOM 810 CG ASP A 52 4.386 -3.644 -6.086 1.00 0.00 C ATOM 811 OD1 ASP A 52 5.054 -3.595 -5.033 1.00 0.00 O ATOM 812 OD2 ASP A 52 4.494 -4.564 -6.924 1.00 0.00 O ATOM 0 H ASP A 52 1.562 -3.342 -4.911 1.00 0.00 H new ATOM 0 HA ASP A 52 3.779 -1.851 -4.362 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.512 -2.947 -6.851 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.837 -1.818 -7.059 1.00 0.00 H new ATOM 817 N SER A 53 1.502 -0.053 -5.920 1.00 0.00 N ATOM 818 CA SER A 53 1.117 1.310 -6.267 1.00 0.00 C ATOM 819 C SER A 53 1.001 2.176 -5.016 1.00 0.00 C ATOM 820 O SER A 53 1.533 3.286 -4.966 1.00 0.00 O ATOM 821 CB SER A 53 -0.212 1.309 -7.025 1.00 0.00 C ATOM 822 OG SER A 53 -0.135 0.504 -8.188 1.00 0.00 O ATOM 0 H SER A 53 0.786 -0.754 -6.109 1.00 0.00 H new ATOM 0 HA SER A 53 1.893 1.729 -6.908 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.005 0.939 -6.375 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.477 2.329 -7.302 1.00 0.00 H new ATOM 0 HG SER A 53 -0.168 -0.442 -7.934 1.00 0.00 H new ATOM 828 N TRP A 54 0.304 1.662 -4.010 1.00 0.00 N ATOM 829 CA TRP A 54 0.118 2.389 -2.759 1.00 0.00 C ATOM 830 C TRP A 54 1.425 3.024 -2.300 1.00 0.00 C ATOM 831 O TRP A 54 1.516 4.243 -2.149 1.00 0.00 O ATOM 832 CB TRP A 54 -0.417 1.451 -1.676 1.00 0.00 C ATOM 833 CG TRP A 54 -0.610 2.124 -0.350 1.00 0.00 C ATOM 834 CD1 TRP A 54 -1.743 2.742 0.097 1.00 0.00 C ATOM 835 CD2 TRP A 54 0.358 2.248 0.697 1.00 0.00 C ATOM 836 NE1 TRP A 54 -1.537 3.242 1.360 1.00 0.00 N ATOM 837 CE2 TRP A 54 -0.257 2.952 1.751 1.00 0.00 C ATOM 838 CE3 TRP A 54 1.683 1.831 0.848 1.00 0.00 C ATOM 839 CZ2 TRP A 54 0.410 3.248 2.937 1.00 0.00 C ATOM 840 CZ3 TRP A 54 2.344 2.126 2.026 1.00 0.00 C ATOM 841 CH2 TRP A 54 1.707 2.828 3.058 1.00 0.00 C ATOM 0 H TRP A 54 -0.142 0.745 -4.035 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.608 3.183 -2.932 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.368 1.033 -2.005 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.273 0.616 -1.555 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.665 2.825 -0.460 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.226 3.748 1.917 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.182 1.288 0.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.079 3.790 3.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.369 1.810 2.153 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.250 3.042 3.967 1.00 0.00 H new ATOM 852 N PHE A 55 2.437 2.192 -2.077 1.00 0.00 N ATOM 853 CA PHE A 55 3.740 2.673 -1.634 1.00 0.00 C ATOM 854 C PHE A 55 4.203 3.852 -2.485 1.00 0.00 C ATOM 855 O PHE A 55 4.339 4.971 -1.992 1.00 0.00 O ATOM 856 CB PHE A 55 4.773 1.546 -1.698 1.00 0.00 C ATOM 857 CG PHE A 55 4.660 0.564 -0.567 1.00 0.00 C ATOM 858 CD1 PHE A 55 5.250 0.828 0.659 1.00 0.00 C ATOM 859 CD2 PHE A 55 3.965 -0.623 -0.729 1.00 0.00 C ATOM 860 CE1 PHE A 55 5.148 -0.072 1.702 1.00 0.00 C ATOM 861 CE2 PHE A 55 3.859 -1.528 0.310 1.00 0.00 C ATOM 862 CZ PHE A 55 4.452 -1.253 1.527 1.00 0.00 C ATOM 0 H PHE A 55 2.379 1.181 -2.196 1.00 0.00 H new ATOM 0 HA PHE A 55 3.643 3.009 -0.602 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.661 1.014 -2.643 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.773 1.980 -1.693 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.796 1.749 0.801 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.500 -0.844 -1.679 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.611 0.147 2.653 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.313 -2.449 0.171 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.372 -1.959 2.340 1.00 0.00 H new ATOM 872 N SER A 56 4.444 3.590 -3.766 1.00 0.00 N ATOM 873 CA SER A 56 4.897 4.627 -4.685 1.00 0.00 C ATOM 874 C SER A 56 4.113 5.919 -4.475 1.00 0.00 C ATOM 875 O SER A 56 4.635 7.014 -4.681 1.00 0.00 O ATOM 876 CB SER A 56 4.746 4.156 -6.133 1.00 0.00 C ATOM 877 OG SER A 56 5.678 4.805 -6.981 1.00 0.00 O ATOM 0 H SER A 56 4.333 2.669 -4.190 1.00 0.00 H new ATOM 0 HA SER A 56 5.950 4.824 -4.482 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.893 3.077 -6.185 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.733 4.357 -6.480 1.00 0.00 H new ATOM 0 HG SER A 56 5.562 4.485 -7.900 1.00 0.00 H new ATOM 883 N GLU A 57 2.856 5.781 -4.064 1.00 0.00 N ATOM 884 CA GLU A 57 2.000 6.937 -3.827 1.00 0.00 C ATOM 885 C GLU A 57 2.164 7.453 -2.400 1.00 0.00 C ATOM 886 O GLU A 57 1.998 8.644 -2.136 1.00 0.00 O ATOM 887 CB GLU A 57 0.535 6.576 -4.084 1.00 0.00 C ATOM 888 CG GLU A 57 0.108 6.763 -5.530 1.00 0.00 C ATOM 889 CD GLU A 57 -1.368 7.087 -5.665 1.00 0.00 C ATOM 890 OE1 GLU A 57 -1.734 8.267 -5.483 1.00 0.00 O ATOM 891 OE2 GLU A 57 -2.155 6.162 -5.952 1.00 0.00 O ATOM 0 H GLU A 57 2.409 4.881 -3.889 1.00 0.00 H new ATOM 0 HA GLU A 57 2.300 7.726 -4.517 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.369 5.538 -3.796 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.099 7.189 -3.444 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.695 7.565 -5.977 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.330 5.855 -6.091 1.00 0.00 H new ATOM 898 N ARG A 58 2.492 6.547 -1.484 1.00 0.00 N ATOM 899 CA ARG A 58 2.677 6.909 -0.084 1.00 0.00 C ATOM 900 C ARG A 58 4.078 7.466 0.153 1.00 0.00 C ATOM 901 O ARG A 58 4.238 8.609 0.582 1.00 0.00 O ATOM 902 CB ARG A 58 2.442 5.693 0.815 1.00 0.00 C ATOM 903 CG ARG A 58 2.882 5.906 2.254 1.00 0.00 C ATOM 904 CD ARG A 58 1.896 6.778 3.015 1.00 0.00 C ATOM 905 NE ARG A 58 2.489 7.350 4.221 1.00 0.00 N ATOM 906 CZ ARG A 58 1.776 7.797 5.249 1.00 0.00 C ATOM 907 NH1 ARG A 58 0.452 7.738 5.218 1.00 0.00 N ATOM 908 NH2 ARG A 58 2.389 8.304 6.312 1.00 0.00 N ATOM 0 H ARG A 58 2.635 5.558 -1.686 1.00 0.00 H new ATOM 0 HA ARG A 58 1.950 7.682 0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.382 5.441 0.802 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.978 4.838 0.403 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.977 4.942 2.753 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.868 6.371 2.269 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.547 7.582 2.366 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.022 6.185 3.287 1.00 0.00 H new ATOM 0 HE ARG A 58 3.506 7.409 4.277 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.022 7.349 4.403 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.092 8.082 6.009 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.408 8.350 6.339 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.841 8.647 7.101 1.00 0.00 H new ATOM 922 N ARG A 59 5.089 6.652 -0.130 1.00 0.00 N ATOM 923 CA ARG A 59 6.476 7.062 0.053 1.00 0.00 C ATOM 924 C ARG A 59 6.743 8.397 -0.637 1.00 0.00 C ATOM 925 O ARG A 59 7.607 9.165 -0.213 1.00 0.00 O ATOM 926 CB ARG A 59 7.423 5.994 -0.495 1.00 0.00 C ATOM 927 CG ARG A 59 7.466 5.938 -2.013 1.00 0.00 C ATOM 928 CD ARG A 59 8.589 5.040 -2.506 1.00 0.00 C ATOM 929 NE ARG A 59 9.886 5.710 -2.459 1.00 0.00 N ATOM 930 CZ ARG A 59 10.211 6.738 -3.235 1.00 0.00 C ATOM 931 NH1 ARG A 59 9.338 7.212 -4.114 1.00 0.00 N ATOM 932 NH2 ARG A 59 11.411 7.295 -3.134 1.00 0.00 N ATOM 0 H ARG A 59 4.974 5.704 -0.487 1.00 0.00 H new ATOM 0 HA ARG A 59 6.655 7.182 1.121 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.428 6.184 -0.118 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.118 5.020 -0.113 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.512 5.571 -2.392 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.601 6.943 -2.412 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.625 4.137 -1.897 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.380 4.726 -3.529 1.00 0.00 H new ATOM 0 HE ARG A 59 10.580 5.370 -1.794 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.414 6.787 -4.195 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.590 8.001 -4.709 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.086 6.934 -2.460 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.659 8.084 -3.731 1.00 0.00 H new ATOM 946 N LYS A 60 5.997 8.666 -1.703 1.00 0.00 N ATOM 947 CA LYS A 60 6.152 9.907 -2.452 1.00 0.00 C ATOM 948 C LYS A 60 5.449 11.061 -1.745 1.00 0.00 C ATOM 949 O LYS A 60 5.894 12.207 -1.809 1.00 0.00 O ATOM 950 CB LYS A 60 5.592 9.745 -3.867 1.00 0.00 C ATOM 951 CG LYS A 60 4.075 9.789 -3.930 1.00 0.00 C ATOM 952 CD LYS A 60 3.582 10.012 -5.350 1.00 0.00 C ATOM 953 CE LYS A 60 3.531 11.492 -5.696 1.00 0.00 C ATOM 954 NZ LYS A 60 3.455 11.715 -7.167 1.00 0.00 N ATOM 0 H LYS A 60 5.279 8.041 -2.068 1.00 0.00 H new ATOM 0 HA LYS A 60 7.216 10.136 -2.512 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.997 10.534 -4.501 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.937 8.797 -4.279 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.667 8.855 -3.545 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.706 10.588 -3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.239 9.496 -6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.590 9.576 -5.464 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.666 11.948 -5.214 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.416 11.989 -5.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.422 12.736 -7.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.293 11.302 -7.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.597 11.263 -7.543 1.00 0.00 H new ATOM 968 N LYS A 61 4.348 10.751 -1.068 1.00 0.00 N ATOM 969 CA LYS A 61 3.584 11.761 -0.346 1.00 0.00 C ATOM 970 C LYS A 61 4.431 12.407 0.747 1.00 0.00 C ATOM 971 O LYS A 61 4.334 13.609 0.993 1.00 0.00 O ATOM 972 CB LYS A 61 2.328 11.138 0.269 1.00 0.00 C ATOM 973 CG LYS A 61 1.429 12.144 0.967 1.00 0.00 C ATOM 974 CD LYS A 61 0.029 11.590 1.175 1.00 0.00 C ATOM 975 CE LYS A 61 -0.960 12.692 1.522 1.00 0.00 C ATOM 976 NZ LYS A 61 -2.194 12.150 2.156 1.00 0.00 N ATOM 0 H LYS A 61 3.965 9.808 -1.005 1.00 0.00 H new ATOM 0 HA LYS A 61 3.289 12.533 -1.057 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.759 10.638 -0.515 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.626 10.372 0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.862 12.413 1.931 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.376 13.058 0.375 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.299 11.077 0.271 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.045 10.849 1.974 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.487 13.405 2.198 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.226 13.239 0.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.843 12.932 2.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.659 11.489 1.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.943 11.650 3.033 1.00 0.00 H new