USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 358 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 NoAdj-H: A 75 ALA H : A 75 ALA N : A 73 TYR O :(H bumps) USER MOD Set 1.1: A 53 GLN : amide:sc= -1.02 K(o=-1,f=-2!) USER MOD Set 1.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -7.87! C(o=-7.9!,f=-9.8!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.412 X(o=-0.41,f=-0.76) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.705! USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 40:sc= -5.3! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 48:sc= 0.0558 USER MOD Single : A 54 THR OG1 : rot -1:sc= 1.11 USER MOD Single : A 64 SER OG : rot 45:sc= 0.565 USER MOD Single : A 72 MET CE :methyl 142:sc= -0.658 (180deg=-2.39!) USER MOD ----------------------------------------------------------------- ATOM 239 N LEU A 18 -7.345 15.098 7.277 1.00 0.00 N ATOM 240 CA LEU A 18 -8.222 14.332 6.408 1.00 0.00 C ATOM 241 C LEU A 18 -7.811 12.859 6.445 1.00 0.00 C ATOM 242 O LEU A 18 -8.135 12.144 7.393 1.00 0.00 O ATOM 243 CB LEU A 18 -8.238 14.931 5.000 1.00 0.00 C ATOM 244 CG LEU A 18 -9.356 15.934 4.710 1.00 0.00 C ATOM 245 CD1 LEU A 18 -10.616 15.223 4.211 1.00 0.00 C ATOM 246 CD2 LEU A 18 -9.638 16.808 5.933 1.00 0.00 C ATOM 0 HA LEU A 18 -9.251 14.385 6.764 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.281 15.423 4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.313 14.116 4.281 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.022 16.596 3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.395 15.959 4.013 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.388 14.680 3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.964 14.523 4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.437 17.512 5.700 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.942 16.177 6.768 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.736 17.358 6.203 1.00 0.00 H new ATOM 257 N CYS A 19 -7.103 12.448 5.403 1.00 0.00 N ATOM 258 CA CYS A 19 -6.644 11.073 5.305 1.00 0.00 C ATOM 259 C CYS A 19 -5.207 11.008 5.828 1.00 0.00 C ATOM 260 O CYS A 19 -4.492 10.042 5.569 1.00 0.00 O ATOM 261 CB CYS A 19 -6.755 10.540 3.875 1.00 0.00 C ATOM 262 SG CYS A 19 -7.741 9.009 3.701 1.00 0.00 S ATOM 0 H CYS A 19 -6.836 13.043 4.619 1.00 0.00 H new ATOM 0 HA CYS A 19 -7.281 10.430 5.913 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -7.197 11.314 3.247 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -5.751 10.354 3.493 1.00 0.00 H new ATOM 266 N GLY A 20 -4.829 12.049 6.556 1.00 0.00 N ATOM 267 CA GLY A 20 -3.491 12.122 7.118 1.00 0.00 C ATOM 268 C GLY A 20 -2.431 12.076 6.016 1.00 0.00 C ATOM 269 O GLY A 20 -2.582 11.353 5.033 1.00 0.00 O ATOM 0 H GLY A 20 -5.426 12.848 6.769 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.384 13.042 7.693 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.338 11.294 7.810 1.00 0.00 H new ATOM 273 N ALA A 21 -1.380 12.858 6.218 1.00 0.00 N ATOM 274 CA ALA A 21 -0.294 12.917 5.254 1.00 0.00 C ATOM 275 C ALA A 21 0.788 11.909 5.649 1.00 0.00 C ATOM 276 O ALA A 21 1.796 11.772 4.958 1.00 0.00 O ATOM 277 CB ALA A 21 0.243 14.347 5.175 1.00 0.00 C ATOM 0 H ALA A 21 -1.258 13.456 7.035 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.649 12.647 4.259 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.057 14.390 4.452 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.556 15.019 4.862 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.611 14.652 6.155 1.00 0.00 H new ATOM 283 N GLU A 22 0.543 11.230 6.760 1.00 0.00 N ATOM 284 CA GLU A 22 1.482 10.240 7.255 1.00 0.00 C ATOM 285 C GLU A 22 1.486 9.009 6.346 1.00 0.00 C ATOM 286 O GLU A 22 2.529 8.623 5.822 1.00 0.00 O ATOM 287 CB GLU A 22 1.161 9.853 8.701 1.00 0.00 C ATOM 288 CG GLU A 22 2.084 8.734 9.187 1.00 0.00 C ATOM 289 CD GLU A 22 1.276 7.519 9.649 1.00 0.00 C ATOM 290 OE1 GLU A 22 0.421 7.712 10.541 1.00 0.00 O ATOM 291 OE2 GLU A 22 1.531 6.425 9.101 1.00 0.00 O ATOM 0 H GLU A 22 -0.294 11.347 7.332 1.00 0.00 H new ATOM 0 HA GLU A 22 2.480 10.678 7.244 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.269 10.724 9.347 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.123 9.530 8.773 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.761 8.441 8.384 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.702 9.098 10.008 1.00 0.00 H new ATOM 296 N LEU A 23 0.305 8.428 6.186 1.00 0.00 N ATOM 297 CA LEU A 23 0.159 7.250 5.349 1.00 0.00 C ATOM 298 C LEU A 23 1.204 7.289 4.233 1.00 0.00 C ATOM 299 O LEU A 23 1.847 6.281 3.944 1.00 0.00 O ATOM 300 CB LEU A 23 -1.280 7.128 4.842 1.00 0.00 C ATOM 301 CG LEU A 23 -2.329 6.742 5.885 1.00 0.00 C ATOM 302 CD1 LEU A 23 -3.743 6.880 5.317 1.00 0.00 C ATOM 303 CD2 LEU A 23 -2.066 5.339 6.434 1.00 0.00 C ATOM 0 H LEU A 23 -0.559 8.752 6.622 1.00 0.00 H new ATOM 0 HA LEU A 23 0.346 6.346 5.928 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.570 8.081 4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.301 6.386 4.043 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.249 7.435 6.723 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.470 6.599 6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.914 7.913 5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.853 6.226 4.452 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.826 5.089 7.174 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.102 4.617 5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.082 5.310 6.901 1.00 0.00 H new ATOM 314 N VAL A 24 1.341 8.464 3.635 1.00 0.00 N ATOM 315 CA VAL A 24 2.298 8.647 2.556 1.00 0.00 C ATOM 316 C VAL A 24 3.708 8.731 3.141 1.00 0.00 C ATOM 317 O VAL A 24 4.644 8.142 2.601 1.00 0.00 O ATOM 318 CB VAL A 24 1.920 9.876 1.727 1.00 0.00 C ATOM 319 CG1 VAL A 24 1.633 11.079 2.628 1.00 0.00 C ATOM 320 CG2 VAL A 24 3.012 10.205 0.706 1.00 0.00 C ATOM 0 H VAL A 24 0.806 9.298 3.877 1.00 0.00 H new ATOM 0 HA VAL A 24 2.278 7.794 1.877 1.00 0.00 H new ATOM 0 HB VAL A 24 1.007 9.642 1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.367 11.939 2.013 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.807 10.843 3.298 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.521 11.314 3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.719 11.082 0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.948 10.409 1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.148 9.358 0.033 1.00 0.00 H new ATOM 330 N ASP A 25 3.818 9.467 4.237 1.00 0.00 N ATOM 331 CA ASP A 25 5.100 9.635 4.901 1.00 0.00 C ATOM 332 C ASP A 25 5.529 8.302 5.517 1.00 0.00 C ATOM 333 O ASP A 25 6.720 8.039 5.668 1.00 0.00 O ATOM 334 CB ASP A 25 5.007 10.668 6.025 1.00 0.00 C ATOM 335 CG ASP A 25 6.256 11.529 6.217 1.00 0.00 C ATOM 336 OD1 ASP A 25 7.237 10.992 6.776 1.00 0.00 O ATOM 337 OD2 ASP A 25 6.203 12.707 5.802 1.00 0.00 O ATOM 0 H ASP A 25 3.040 9.954 4.682 1.00 0.00 H new ATOM 0 HA ASP A 25 5.822 9.975 4.159 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.159 11.324 5.826 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.795 10.148 6.959 1.00 0.00 H new ATOM 341 N ALA A 26 4.533 7.496 5.858 1.00 0.00 N ATOM 342 CA ALA A 26 4.793 6.198 6.454 1.00 0.00 C ATOM 343 C ALA A 26 5.605 5.345 5.477 1.00 0.00 C ATOM 344 O ALA A 26 6.702 4.896 5.804 1.00 0.00 O ATOM 345 CB ALA A 26 3.466 5.538 6.839 1.00 0.00 C ATOM 0 H ALA A 26 3.545 7.718 5.732 1.00 0.00 H new ATOM 0 HA ALA A 26 5.381 6.306 7.365 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.661 4.563 7.287 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.941 6.168 7.557 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.851 5.412 5.948 1.00 0.00 H new ATOM 351 N LEU A 27 5.034 5.149 4.298 1.00 0.00 N ATOM 352 CA LEU A 27 5.692 4.358 3.271 1.00 0.00 C ATOM 353 C LEU A 27 7.017 5.022 2.894 1.00 0.00 C ATOM 354 O LEU A 27 7.985 4.339 2.559 1.00 0.00 O ATOM 355 CB LEU A 27 4.755 4.136 2.082 1.00 0.00 C ATOM 356 CG LEU A 27 3.364 3.594 2.417 1.00 0.00 C ATOM 357 CD1 LEU A 27 2.281 4.628 2.103 1.00 0.00 C ATOM 358 CD2 LEU A 27 3.109 2.262 1.707 1.00 0.00 C ATOM 0 H LEU A 27 4.124 5.524 4.031 1.00 0.00 H new ATOM 0 HA LEU A 27 5.929 3.364 3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.637 5.083 1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.236 3.445 1.390 1.00 0.00 H new ATOM 0 HG LEU A 27 3.322 3.401 3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.302 4.217 2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.456 5.528 2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.312 4.877 1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.114 1.898 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.178 2.405 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.854 1.532 2.024 1.00 0.00 H new ATOM 369 N GLN A 28 7.020 6.345 2.960 1.00 0.00 N ATOM 370 CA GLN A 28 8.211 7.109 2.629 1.00 0.00 C ATOM 371 C GLN A 28 9.231 7.020 3.765 1.00 0.00 C ATOM 372 O GLN A 28 10.367 7.470 3.621 1.00 0.00 O ATOM 373 CB GLN A 28 7.860 8.566 2.319 1.00 0.00 C ATOM 374 CG GLN A 28 8.588 9.049 1.063 1.00 0.00 C ATOM 375 CD GLN A 28 9.218 10.424 1.291 1.00 0.00 C ATOM 376 OE1 GLN A 28 9.908 10.666 2.267 1.00 0.00 O ATOM 377 NE2 GLN A 28 8.944 11.309 0.336 1.00 0.00 N ATOM 0 H GLN A 28 6.216 6.908 3.238 1.00 0.00 H new ATOM 0 HA GLN A 28 8.657 6.679 1.732 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.783 8.663 2.180 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.130 9.197 3.166 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.361 8.332 0.788 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.888 9.099 0.229 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.359 11.041 -0.455 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.319 12.256 0.395 1.00 0.00 H new ATOM 384 N PHE A 29 8.789 6.437 4.870 1.00 0.00 N ATOM 385 CA PHE A 29 9.650 6.285 6.031 1.00 0.00 C ATOM 386 C PHE A 29 10.393 4.948 5.990 1.00 0.00 C ATOM 387 O PHE A 29 11.617 4.911 6.105 1.00 0.00 O ATOM 388 CB PHE A 29 8.746 6.314 7.266 1.00 0.00 C ATOM 389 CG PHE A 29 8.910 5.104 8.187 1.00 0.00 C ATOM 390 CD1 PHE A 29 10.096 4.885 8.816 1.00 0.00 C ATOM 391 CD2 PHE A 29 7.871 4.247 8.375 1.00 0.00 C ATOM 392 CE1 PHE A 29 10.249 3.762 9.671 1.00 0.00 C ATOM 393 CE2 PHE A 29 8.025 3.123 9.231 1.00 0.00 C ATOM 394 CZ PHE A 29 9.210 2.904 9.860 1.00 0.00 C ATOM 0 H PHE A 29 7.847 6.064 4.986 1.00 0.00 H new ATOM 0 HA PHE A 29 10.392 7.083 6.051 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.954 7.221 7.834 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.707 6.372 6.942 1.00 0.00 H new ATOM 0 HD1 PHE A 29 10.921 5.565 8.665 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.930 4.420 7.874 1.00 0.00 H new ATOM 0 HE1 PHE A 29 11.190 3.589 10.171 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.200 2.442 9.382 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.327 2.049 10.510 1.00 0.00 H new ATOM 403 N VAL A 30 9.622 3.883 5.826 1.00 0.00 N ATOM 404 CA VAL A 30 10.193 2.548 5.769 1.00 0.00 C ATOM 405 C VAL A 30 10.269 2.093 4.309 1.00 0.00 C ATOM 406 O VAL A 30 11.224 1.427 3.913 1.00 0.00 O ATOM 407 CB VAL A 30 9.384 1.595 6.650 1.00 0.00 C ATOM 408 CG1 VAL A 30 8.958 0.351 5.867 1.00 0.00 C ATOM 409 CG2 VAL A 30 10.168 1.210 7.905 1.00 0.00 C ATOM 0 H VAL A 30 8.607 3.917 5.731 1.00 0.00 H new ATOM 0 HA VAL A 30 11.209 2.550 6.163 1.00 0.00 H new ATOM 0 HB VAL A 30 8.481 2.117 6.966 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.384 -0.309 6.517 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.343 0.649 5.018 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.843 -0.173 5.507 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.570 0.532 8.514 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.096 0.716 7.617 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.398 2.107 8.480 1.00 0.00 H new ATOM 419 N CYS A 31 9.250 2.471 3.551 1.00 0.00 N ATOM 420 CA CYS A 31 9.189 2.110 2.145 1.00 0.00 C ATOM 421 C CYS A 31 10.339 2.812 1.419 1.00 0.00 C ATOM 422 O CYS A 31 10.814 2.332 0.391 1.00 0.00 O ATOM 423 CB CYS A 31 7.831 2.455 1.531 1.00 0.00 C ATOM 424 SG CYS A 31 7.023 1.078 0.636 1.00 0.00 S ATOM 0 H CYS A 31 8.460 3.024 3.884 1.00 0.00 H new ATOM 0 HA CYS A 31 9.298 1.031 2.039 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.165 2.795 2.324 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.960 3.291 0.843 1.00 0.00 H new ATOM 428 N GLY A 32 10.752 3.937 1.983 1.00 0.00 N ATOM 429 CA GLY A 32 11.837 4.711 1.402 1.00 0.00 C ATOM 430 C GLY A 32 11.359 6.105 0.994 1.00 0.00 C ATOM 431 O GLY A 32 10.397 6.240 0.239 1.00 0.00 O ATOM 0 H GLY A 32 10.355 4.332 2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.652 4.798 2.121 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.235 4.190 0.531 1.00 0.00 H new ATOM 435 N ASP A 33 12.053 7.109 1.513 1.00 0.00 N ATOM 436 CA ASP A 33 11.711 8.488 1.211 1.00 0.00 C ATOM 437 C ASP A 33 11.160 8.574 -0.213 1.00 0.00 C ATOM 438 O ASP A 33 10.426 9.505 -0.544 1.00 0.00 O ATOM 439 CB ASP A 33 12.942 9.393 1.298 1.00 0.00 C ATOM 440 CG ASP A 33 12.729 10.707 2.050 1.00 0.00 C ATOM 441 OD1 ASP A 33 12.753 10.657 3.299 1.00 0.00 O ATOM 442 OD2 ASP A 33 12.547 11.733 1.359 1.00 0.00 O ATOM 0 H ASP A 33 12.849 6.994 2.140 1.00 0.00 H new ATOM 0 HA ASP A 33 10.969 8.817 1.938 1.00 0.00 H new ATOM 0 HB2 ASP A 33 13.746 8.841 1.784 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.278 9.622 0.287 1.00 0.00 H new ATOM 446 N ARG A 34 11.535 7.592 -1.018 1.00 0.00 N ATOM 447 CA ARG A 34 11.088 7.544 -2.400 1.00 0.00 C ATOM 448 C ARG A 34 9.562 7.624 -2.467 1.00 0.00 C ATOM 449 O ARG A 34 8.998 7.946 -3.511 1.00 0.00 O ATOM 450 CB ARG A 34 11.556 6.259 -3.087 1.00 0.00 C ATOM 451 CG ARG A 34 10.879 5.032 -2.472 1.00 0.00 C ATOM 452 CD ARG A 34 11.162 3.778 -3.303 1.00 0.00 C ATOM 453 NE ARG A 34 12.522 3.274 -3.010 1.00 0.00 N ATOM 454 CZ ARG A 34 13.179 2.396 -3.780 1.00 0.00 C ATOM 455 NH1 ARG A 34 12.605 1.920 -4.894 1.00 0.00 N ATOM 456 NH2 ARG A 34 14.410 1.994 -3.437 1.00 0.00 N ATOM 0 H ARG A 34 12.144 6.822 -0.740 1.00 0.00 H new ATOM 0 HA ARG A 34 11.523 8.398 -2.919 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.330 6.308 -4.152 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.638 6.166 -2.995 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.238 4.886 -1.453 1.00 0.00 H new ATOM 0 HG3 ARG A 34 9.803 5.198 -2.411 1.00 0.00 H new ATOM 0 HD2 ARG A 34 10.424 3.008 -3.078 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.071 4.007 -4.365 1.00 0.00 H new ATOM 0 HE ARG A 34 12.988 3.616 -2.170 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.668 2.226 -5.156 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.105 1.252 -5.480 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.847 2.356 -2.590 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.910 1.326 -4.023 1.00 0.00 H new ATOM 467 N GLY A 35 8.935 7.324 -1.338 1.00 0.00 N ATOM 468 CA GLY A 35 7.485 7.357 -1.255 1.00 0.00 C ATOM 469 C GLY A 35 6.865 6.192 -2.028 1.00 0.00 C ATOM 470 O GLY A 35 7.347 5.825 -3.098 1.00 0.00 O ATOM 0 H GLY A 35 9.405 7.057 -0.473 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.176 7.311 -0.211 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.116 8.301 -1.655 1.00 0.00 H new ATOM 474 N PHE A 36 5.804 5.641 -1.456 1.00 0.00 N ATOM 475 CA PHE A 36 5.113 4.526 -2.078 1.00 0.00 C ATOM 476 C PHE A 36 3.851 4.997 -2.803 1.00 0.00 C ATOM 477 O PHE A 36 3.220 5.969 -2.390 1.00 0.00 O ATOM 478 CB PHE A 36 4.713 3.565 -0.956 1.00 0.00 C ATOM 479 CG PHE A 36 3.757 2.456 -1.397 1.00 0.00 C ATOM 480 CD1 PHE A 36 4.213 1.430 -2.164 1.00 0.00 C ATOM 481 CD2 PHE A 36 2.450 2.496 -1.022 1.00 0.00 C ATOM 482 CE1 PHE A 36 3.325 0.400 -2.575 1.00 0.00 C ATOM 483 CE2 PHE A 36 1.563 1.466 -1.431 1.00 0.00 C ATOM 484 CZ PHE A 36 2.018 0.440 -2.198 1.00 0.00 C ATOM 0 H PHE A 36 5.407 5.947 -0.568 1.00 0.00 H new ATOM 0 HA PHE A 36 5.763 4.049 -2.811 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.614 3.111 -0.543 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.246 4.135 -0.153 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.251 1.398 -2.461 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.087 3.311 -0.413 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.687 -0.414 -3.186 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.526 1.497 -1.133 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.342 -0.343 -2.508 1.00 0.00 H new ATOM 493 N TYR A 37 3.521 4.287 -3.872 1.00 0.00 N ATOM 494 CA TYR A 37 2.345 4.621 -4.658 1.00 0.00 C ATOM 495 C TYR A 37 1.063 4.220 -3.925 1.00 0.00 C ATOM 496 O TYR A 37 0.489 3.167 -4.202 1.00 0.00 O ATOM 497 CB TYR A 37 2.456 3.807 -5.949 1.00 0.00 C ATOM 498 CG TYR A 37 1.521 4.278 -7.064 1.00 0.00 C ATOM 499 CD1 TYR A 37 0.664 5.338 -6.844 1.00 0.00 C ATOM 500 CD2 TYR A 37 1.534 3.644 -8.290 1.00 0.00 C ATOM 501 CE1 TYR A 37 -0.216 5.782 -7.894 1.00 0.00 C ATOM 502 CE2 TYR A 37 0.654 4.089 -9.340 1.00 0.00 C ATOM 503 CZ TYR A 37 -0.178 5.136 -9.090 1.00 0.00 C ATOM 504 OH TYR A 37 -1.009 5.555 -10.082 1.00 0.00 O ATOM 0 H TYR A 37 4.047 3.482 -4.212 1.00 0.00 H new ATOM 0 HA TYR A 37 2.299 5.694 -4.843 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.484 3.853 -6.308 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.242 2.762 -5.727 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.654 5.834 -5.885 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.204 2.814 -8.462 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.891 6.610 -7.735 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.655 3.602 -10.304 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.872 5.002 -10.879 1.00 0.00 H new ATOM 513 N PHE A 38 0.651 5.080 -3.005 1.00 0.00 N ATOM 514 CA PHE A 38 -0.552 4.828 -2.232 1.00 0.00 C ATOM 515 C PHE A 38 -1.506 3.900 -2.986 1.00 0.00 C ATOM 516 O PHE A 38 -1.550 2.700 -2.718 1.00 0.00 O ATOM 517 CB PHE A 38 -1.238 6.179 -2.018 1.00 0.00 C ATOM 518 CG PHE A 38 -1.021 6.775 -0.626 1.00 0.00 C ATOM 519 CD1 PHE A 38 -0.291 6.094 0.299 1.00 0.00 C ATOM 520 CD2 PHE A 38 -1.556 7.985 -0.313 1.00 0.00 C ATOM 521 CE1 PHE A 38 -0.089 6.648 1.591 1.00 0.00 C ATOM 522 CE2 PHE A 38 -1.354 8.538 0.980 1.00 0.00 C ATOM 523 CZ PHE A 38 -0.624 7.858 1.904 1.00 0.00 C ATOM 0 H PHE A 38 1.129 5.952 -2.778 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.292 4.349 -1.288 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.871 6.883 -2.765 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.308 6.062 -2.189 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.134 5.133 0.051 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.135 8.526 -1.047 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.490 6.108 2.325 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.780 9.499 1.229 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.469 8.279 2.886 1.00 0.00 H new ATOM 532 N ASN A 39 -2.245 4.489 -3.913 1.00 0.00 N ATOM 533 CA ASN A 39 -3.195 3.730 -4.708 1.00 0.00 C ATOM 534 C ASN A 39 -2.587 3.441 -6.082 1.00 0.00 C ATOM 535 O ASN A 39 -1.454 3.831 -6.359 1.00 0.00 O ATOM 536 CB ASN A 39 -4.489 4.517 -4.920 1.00 0.00 C ATOM 537 CG ASN A 39 -4.278 6.006 -4.642 1.00 0.00 C ATOM 538 OD1 ASN A 39 -3.554 6.697 -5.341 1.00 0.00 O ATOM 539 ND2 ASN A 39 -4.947 6.460 -3.587 1.00 0.00 N ATOM 0 H ASN A 39 -2.205 5.484 -4.132 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.418 2.806 -4.175 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.838 4.381 -5.944 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.267 4.128 -4.263 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -4.872 7.441 -3.319 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.536 5.827 -3.045 1.00 0.00 H new ATOM 545 N LYS A 40 -3.367 2.759 -6.908 1.00 0.00 N ATOM 546 CA LYS A 40 -2.921 2.413 -8.247 1.00 0.00 C ATOM 547 C LYS A 40 -3.526 3.395 -9.251 1.00 0.00 C ATOM 548 O LYS A 40 -4.327 4.252 -8.881 1.00 0.00 O ATOM 549 CB LYS A 40 -3.233 0.947 -8.554 1.00 0.00 C ATOM 550 CG LYS A 40 -1.948 0.142 -8.757 1.00 0.00 C ATOM 551 CD LYS A 40 -2.123 -0.900 -9.862 1.00 0.00 C ATOM 552 CE LYS A 40 -0.964 -0.842 -10.860 1.00 0.00 C ATOM 553 NZ LYS A 40 -1.040 -1.973 -11.811 1.00 0.00 N ATOM 0 H LYS A 40 -4.306 2.436 -6.675 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.838 2.506 -8.324 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.811 0.516 -7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.851 0.883 -9.449 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.130 0.815 -9.013 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.674 -0.353 -7.825 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.179 -1.896 -9.422 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.065 -0.728 -10.383 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.993 0.101 -11.405 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.015 -0.872 -10.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.246 -1.918 -12.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.990 -2.870 -11.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.938 -1.927 -12.334 1.00 0.00 H new ATOM 563 N PRO A 41 -3.108 3.233 -10.535 1.00 0.00 N ATOM 564 CA PRO A 41 -3.601 4.096 -11.596 1.00 0.00 C ATOM 565 C PRO A 41 -5.035 3.729 -11.980 1.00 0.00 C ATOM 566 O PRO A 41 -5.257 3.020 -12.960 1.00 0.00 O ATOM 567 CB PRO A 41 -2.615 3.915 -12.740 1.00 0.00 C ATOM 568 CG PRO A 41 -1.877 2.618 -12.452 1.00 0.00 C ATOM 569 CD PRO A 41 -2.160 2.230 -11.010 1.00 0.00 C ATOM 0 HA PRO A 41 -3.655 5.142 -11.296 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.133 3.865 -13.698 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.922 4.755 -12.795 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.208 1.832 -13.131 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.806 2.745 -12.610 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.580 1.226 -10.945 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.248 2.233 -10.413 1.00 0.00 H new ATOM 574 N THR A 42 -5.972 4.228 -11.188 1.00 0.00 N ATOM 575 CA THR A 42 -7.379 3.960 -11.432 1.00 0.00 C ATOM 576 C THR A 42 -7.666 3.943 -12.934 1.00 0.00 C ATOM 577 O THR A 42 -7.419 2.942 -13.606 1.00 0.00 O ATOM 578 CB THR A 42 -8.198 5.004 -10.669 1.00 0.00 C ATOM 579 OG1 THR A 42 -9.426 5.075 -11.388 1.00 0.00 O ATOM 580 CG2 THR A 42 -7.612 6.412 -10.793 1.00 0.00 C ATOM 0 H THR A 42 -5.785 4.817 -10.376 1.00 0.00 H new ATOM 0 HA THR A 42 -7.663 2.973 -11.068 1.00 0.00 H new ATOM 0 HB THR A 42 -8.253 4.725 -9.617 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.018 5.728 -10.960 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.230 7.114 -10.234 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.599 6.421 -10.391 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.589 6.705 -11.843 1.00 0.00 H new ATOM 588 N GLY A 43 -8.183 5.063 -13.420 1.00 0.00 N ATOM 589 CA GLY A 43 -8.506 5.188 -14.830 1.00 0.00 C ATOM 590 C GLY A 43 -7.481 4.449 -15.694 1.00 0.00 C ATOM 591 O GLY A 43 -6.464 5.021 -16.084 1.00 0.00 O ATOM 0 H GLY A 43 -8.386 5.892 -12.861 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.502 4.785 -15.016 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.531 6.241 -15.109 1.00 0.00 H new ATOM 595 N TYR A 44 -7.787 3.190 -15.970 1.00 0.00 N ATOM 596 CA TYR A 44 -6.906 2.367 -16.781 1.00 0.00 C ATOM 597 C TYR A 44 -7.693 1.278 -17.513 1.00 0.00 C ATOM 598 O TYR A 44 -8.922 1.253 -17.460 1.00 0.00 O ATOM 599 CB TYR A 44 -5.929 1.706 -15.806 1.00 0.00 C ATOM 600 CG TYR A 44 -4.576 1.351 -16.425 1.00 0.00 C ATOM 601 CD1 TYR A 44 -3.708 2.353 -16.807 1.00 0.00 C ATOM 602 CD2 TYR A 44 -4.224 0.028 -16.603 1.00 0.00 C ATOM 603 CE1 TYR A 44 -2.434 2.018 -17.390 1.00 0.00 C ATOM 604 CE2 TYR A 44 -2.951 -0.306 -17.186 1.00 0.00 C ATOM 605 CZ TYR A 44 -2.119 0.706 -17.551 1.00 0.00 C ATOM 606 OH TYR A 44 -0.916 0.390 -18.101 1.00 0.00 O ATOM 0 H TYR A 44 -8.632 2.720 -15.647 1.00 0.00 H new ATOM 0 HA TYR A 44 -6.400 2.973 -17.533 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.766 2.375 -14.961 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.385 0.799 -15.410 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.984 3.388 -16.669 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.904 -0.756 -16.305 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.745 2.792 -17.692 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.663 -1.337 -17.330 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.826 -0.584 -18.154 1.00 0.00 H new ATOM 615 N GLY A 45 -6.953 0.404 -18.179 1.00 0.00 N ATOM 616 CA GLY A 45 -7.566 -0.684 -18.922 1.00 0.00 C ATOM 617 C GLY A 45 -8.639 -1.382 -18.083 1.00 0.00 C ATOM 618 O GLY A 45 -9.684 -1.772 -18.605 1.00 0.00 O ATOM 0 H GLY A 45 -5.934 0.427 -18.220 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.010 -0.298 -19.840 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.803 -1.404 -19.216 1.00 0.00 H new ATOM 622 N SER A 46 -8.346 -1.520 -16.799 1.00 0.00 N ATOM 623 CA SER A 46 -9.272 -2.164 -15.884 1.00 0.00 C ATOM 624 C SER A 46 -10.091 -1.108 -15.139 1.00 0.00 C ATOM 625 O SER A 46 -9.855 -0.852 -13.958 1.00 0.00 O ATOM 626 CB SER A 46 -8.531 -3.059 -14.889 1.00 0.00 C ATOM 627 OG SER A 46 -9.408 -3.973 -14.236 1.00 0.00 O ATOM 0 H SER A 46 -7.479 -1.196 -16.370 1.00 0.00 H new ATOM 0 HA SER A 46 -9.945 -2.793 -16.466 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.752 -3.615 -15.412 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.034 -2.438 -14.144 1.00 0.00 H new ATOM 0 HG SER A 46 -10.061 -4.317 -14.881 1.00 0.00 H new ATOM 632 N SER A 47 -11.037 -0.523 -15.858 1.00 0.00 N ATOM 633 CA SER A 47 -11.893 0.500 -15.280 1.00 0.00 C ATOM 634 C SER A 47 -12.890 -0.138 -14.311 1.00 0.00 C ATOM 635 O SER A 47 -14.085 -0.200 -14.597 1.00 0.00 O ATOM 636 CB SER A 47 -12.634 1.278 -16.369 1.00 0.00 C ATOM 637 OG SER A 47 -13.264 2.448 -15.855 1.00 0.00 O ATOM 0 H SER A 47 -11.230 -0.738 -16.836 1.00 0.00 H new ATOM 0 HA SER A 47 -11.264 1.203 -14.733 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.933 1.559 -17.154 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.384 0.634 -16.828 1.00 0.00 H new ATOM 0 HG SER A 47 -13.725 2.917 -16.581 1.00 0.00 H new ATOM 642 N SER A 48 -12.362 -0.597 -13.187 1.00 0.00 N ATOM 643 CA SER A 48 -13.191 -1.228 -12.174 1.00 0.00 C ATOM 644 C SER A 48 -12.577 -1.018 -10.788 1.00 0.00 C ATOM 645 O SER A 48 -11.404 -0.662 -10.673 1.00 0.00 O ATOM 646 CB SER A 48 -13.364 -2.722 -12.456 1.00 0.00 C ATOM 647 OG SER A 48 -14.714 -3.055 -12.764 1.00 0.00 O ATOM 0 H SER A 48 -11.370 -0.545 -12.955 1.00 0.00 H new ATOM 0 HA SER A 48 -14.177 -0.763 -12.202 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.721 -3.011 -13.287 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.039 -3.295 -11.588 1.00 0.00 H new ATOM 0 HG SER A 48 -14.782 -4.017 -12.939 1.00 0.00 H new ATOM 652 N ARG A 49 -13.395 -1.245 -9.772 1.00 0.00 N ATOM 653 CA ARG A 49 -12.947 -1.085 -8.399 1.00 0.00 C ATOM 654 C ARG A 49 -11.752 -2.000 -8.121 1.00 0.00 C ATOM 655 O ARG A 49 -11.909 -3.069 -7.534 1.00 0.00 O ATOM 656 CB ARG A 49 -14.070 -1.409 -7.412 1.00 0.00 C ATOM 657 CG ARG A 49 -14.522 -0.152 -6.665 1.00 0.00 C ATOM 658 CD ARG A 49 -15.909 0.295 -7.132 1.00 0.00 C ATOM 659 NE ARG A 49 -15.795 1.510 -7.968 1.00 0.00 N ATOM 660 CZ ARG A 49 -16.773 1.974 -8.757 1.00 0.00 C ATOM 661 NH1 ARG A 49 -17.945 1.327 -8.822 1.00 0.00 N ATOM 662 NH2 ARG A 49 -16.580 3.085 -9.481 1.00 0.00 N ATOM 0 H ARG A 49 -14.367 -1.539 -9.872 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.651 -0.044 -8.265 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.915 -1.843 -7.947 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.727 -2.157 -6.698 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -14.541 -0.349 -5.593 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.803 0.651 -6.829 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -16.385 -0.504 -7.700 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.545 0.495 -6.270 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.916 2.027 -7.942 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -18.092 0.482 -8.271 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -18.690 1.680 -9.423 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.688 3.578 -9.431 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -17.325 3.438 -10.082 1.00 0.00 H new ATOM 673 N ARG A 50 -10.586 -1.544 -8.554 1.00 0.00 N ATOM 674 CA ARG A 50 -9.366 -2.309 -8.358 1.00 0.00 C ATOM 675 C ARG A 50 -8.143 -1.444 -8.672 1.00 0.00 C ATOM 676 O ARG A 50 -7.452 -1.676 -9.664 1.00 0.00 O ATOM 677 CB ARG A 50 -9.345 -3.552 -9.249 1.00 0.00 C ATOM 678 CG ARG A 50 -9.404 -3.166 -10.729 1.00 0.00 C ATOM 679 CD ARG A 50 -10.089 -4.259 -11.553 1.00 0.00 C ATOM 680 NE ARG A 50 -9.085 -5.233 -12.036 1.00 0.00 N ATOM 681 CZ ARG A 50 -9.349 -6.211 -12.914 1.00 0.00 C ATOM 682 NH1 ARG A 50 -10.585 -6.350 -13.409 1.00 0.00 N ATOM 683 NH2 ARG A 50 -8.375 -7.049 -13.295 1.00 0.00 N ATOM 0 H ARG A 50 -10.460 -0.656 -9.039 1.00 0.00 H new ATOM 0 HA ARG A 50 -9.336 -2.624 -7.315 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.440 -4.128 -9.055 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -10.190 -4.195 -9.003 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.945 -2.227 -10.842 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.395 -3.000 -11.106 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -10.838 -4.767 -10.946 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -10.612 -3.814 -12.399 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.133 -5.155 -11.679 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.326 -5.712 -13.118 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -10.786 -7.094 -14.077 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -7.434 -6.942 -12.917 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -8.575 -7.793 -13.963 1.00 0.00 H new ATOM 694 N ALA A 51 -7.910 -0.467 -7.808 1.00 0.00 N ATOM 695 CA ALA A 51 -6.783 0.433 -7.981 1.00 0.00 C ATOM 696 C ALA A 51 -6.333 0.948 -6.612 1.00 0.00 C ATOM 697 O ALA A 51 -5.705 2.001 -6.517 1.00 0.00 O ATOM 698 CB ALA A 51 -7.175 1.567 -8.930 1.00 0.00 C ATOM 0 H ALA A 51 -8.483 -0.279 -6.985 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.939 -0.091 -8.431 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.329 2.242 -9.059 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.458 1.151 -9.897 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.017 2.117 -8.511 1.00 0.00 H new ATOM 704 N CYS A 52 -6.671 0.180 -5.586 1.00 0.00 N ATOM 705 CA CYS A 52 -6.310 0.546 -4.227 1.00 0.00 C ATOM 706 C CYS A 52 -6.844 -0.531 -3.281 1.00 0.00 C ATOM 707 O CYS A 52 -7.545 -0.225 -2.317 1.00 0.00 O ATOM 708 CB CYS A 52 -6.830 1.937 -3.859 1.00 0.00 C ATOM 709 SG CYS A 52 -8.654 1.908 -3.720 1.00 0.00 S ATOM 0 H CYS A 52 -7.191 -0.694 -5.669 1.00 0.00 H new ATOM 0 HA CYS A 52 -5.225 0.600 -4.139 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -6.390 2.260 -2.915 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -6.526 2.660 -4.616 1.00 0.00 H new ATOM 0 HG CYS A 52 -9.018 0.891 -2.996 1.00 0.00 H new ATOM 714 N GLN A 53 -6.494 -1.771 -3.591 1.00 0.00 N ATOM 715 CA GLN A 53 -6.930 -2.896 -2.780 1.00 0.00 C ATOM 716 C GLN A 53 -6.708 -2.598 -1.296 1.00 0.00 C ATOM 717 O GLN A 53 -7.661 -2.549 -0.520 1.00 0.00 O ATOM 718 CB GLN A 53 -6.211 -4.181 -3.195 1.00 0.00 C ATOM 719 CG GLN A 53 -4.850 -3.872 -3.820 1.00 0.00 C ATOM 720 CD GLN A 53 -4.935 -3.870 -5.347 1.00 0.00 C ATOM 721 OE1 GLN A 53 -5.672 -4.629 -5.954 1.00 0.00 O ATOM 722 NE2 GLN A 53 -4.142 -2.978 -5.933 1.00 0.00 N ATOM 0 H GLN A 53 -5.914 -2.021 -4.392 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.997 -3.046 -2.944 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.078 -4.824 -2.325 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.825 -4.732 -3.907 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.498 -2.901 -3.471 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.120 -4.613 -3.494 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.549 -2.372 -5.366 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.127 -2.900 -6.950 1.00 0.00 H new ATOM 729 N THR A 54 -5.445 -2.407 -0.945 1.00 0.00 N ATOM 730 CA THR A 54 -5.086 -2.115 0.432 1.00 0.00 C ATOM 731 C THR A 54 -4.932 -0.607 0.635 1.00 0.00 C ATOM 732 O THR A 54 -4.194 -0.168 1.515 1.00 0.00 O ATOM 733 CB THR A 54 -3.820 -2.907 0.769 1.00 0.00 C ATOM 734 OG1 THR A 54 -3.646 -2.704 2.167 1.00 0.00 O ATOM 735 CG2 THR A 54 -2.564 -2.296 0.143 1.00 0.00 C ATOM 0 H THR A 54 -4.657 -2.449 -1.591 1.00 0.00 H new ATOM 0 HA THR A 54 -5.873 -2.424 1.120 1.00 0.00 H new ATOM 0 HB THR A 54 -3.933 -3.936 0.426 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.353 -2.114 2.502 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.695 -2.896 0.413 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.670 -2.278 -0.942 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.432 -1.279 0.512 1.00 0.00 H new ATOM 743 N GLY A 55 -5.639 0.145 -0.195 1.00 0.00 N ATOM 744 CA GLY A 55 -5.591 1.595 -0.117 1.00 0.00 C ATOM 745 C GLY A 55 -4.958 2.053 1.199 1.00 0.00 C ATOM 746 O GLY A 55 -5.650 2.196 2.206 1.00 0.00 O ATOM 0 H GLY A 55 -6.249 -0.223 -0.925 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.018 1.989 -0.957 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.599 2.001 -0.200 1.00 0.00 H new ATOM 750 N ILE A 56 -3.652 2.269 1.148 1.00 0.00 N ATOM 751 CA ILE A 56 -2.920 2.708 2.323 1.00 0.00 C ATOM 752 C ILE A 56 -3.464 4.063 2.782 1.00 0.00 C ATOM 753 O ILE A 56 -3.106 4.549 3.853 1.00 0.00 O ATOM 754 CB ILE A 56 -1.415 2.711 2.047 1.00 0.00 C ATOM 755 CG1 ILE A 56 -0.687 1.726 2.964 1.00 0.00 C ATOM 756 CG2 ILE A 56 -0.840 4.125 2.153 1.00 0.00 C ATOM 757 CD1 ILE A 56 -1.387 0.364 2.972 1.00 0.00 C ATOM 0 H ILE A 56 -3.082 2.148 0.311 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.068 2.009 3.146 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.256 2.375 1.022 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.344 1.607 2.631 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.650 2.126 3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.231 4.098 1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.329 4.772 1.425 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.011 4.513 3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.849 -0.317 3.631 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.410 0.483 3.329 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.400 -0.044 1.961 1.00 0.00 H new ATOM 768 N VAL A 57 -4.319 4.634 1.947 1.00 0.00 N ATOM 769 CA VAL A 57 -4.915 5.923 2.252 1.00 0.00 C ATOM 770 C VAL A 57 -6.399 5.731 2.572 1.00 0.00 C ATOM 771 O VAL A 57 -6.922 6.343 3.501 1.00 0.00 O ATOM 772 CB VAL A 57 -4.674 6.899 1.099 1.00 0.00 C ATOM 773 CG1 VAL A 57 -3.937 8.149 1.584 1.00 0.00 C ATOM 774 CG2 VAL A 57 -3.911 6.221 -0.042 1.00 0.00 C ATOM 0 H VAL A 57 -4.613 4.227 1.059 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.446 6.361 3.133 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.645 7.211 0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.778 8.826 0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.533 8.650 2.347 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.974 7.863 2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.753 6.936 -0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.947 5.868 0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.489 5.376 -0.415 1.00 0.00 H new ATOM 784 N ASP A 58 -7.036 4.878 1.783 1.00 0.00 N ATOM 785 CA ASP A 58 -8.450 4.598 1.970 1.00 0.00 C ATOM 786 C ASP A 58 -8.606 3.336 2.821 1.00 0.00 C ATOM 787 O ASP A 58 -9.531 3.237 3.625 1.00 0.00 O ATOM 788 CB ASP A 58 -9.144 4.353 0.630 1.00 0.00 C ATOM 789 CG ASP A 58 -10.069 5.480 0.165 1.00 0.00 C ATOM 790 OD1 ASP A 58 -11.047 5.749 0.895 1.00 0.00 O ATOM 791 OD2 ASP A 58 -9.777 6.047 -0.910 1.00 0.00 O ATOM 0 H ASP A 58 -6.599 4.372 1.013 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.904 5.460 2.459 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.382 4.191 -0.132 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.724 3.433 0.701 1.00 0.00 H new ATOM 795 N GLU A 59 -7.687 2.404 2.614 1.00 0.00 N ATOM 796 CA GLU A 59 -7.712 1.152 3.353 1.00 0.00 C ATOM 797 C GLU A 59 -7.046 1.329 4.719 1.00 0.00 C ATOM 798 O GLU A 59 -7.332 0.582 5.654 1.00 0.00 O ATOM 799 CB GLU A 59 -7.040 0.032 2.556 1.00 0.00 C ATOM 800 CG GLU A 59 -7.661 -1.325 2.889 1.00 0.00 C ATOM 801 CD GLU A 59 -6.698 -2.180 3.716 1.00 0.00 C ATOM 802 OE1 GLU A 59 -5.475 -1.987 3.542 1.00 0.00 O ATOM 803 OE2 GLU A 59 -7.206 -3.007 4.504 1.00 0.00 O ATOM 0 H GLU A 59 -6.921 2.490 1.946 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.752 0.867 3.512 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.140 0.230 1.489 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.973 0.012 2.778 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.589 -1.179 3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.918 -1.848 1.968 1.00 0.00 H new ATOM 808 N CYS A 60 -6.172 2.321 4.791 1.00 0.00 N ATOM 809 CA CYS A 60 -5.463 2.606 6.028 1.00 0.00 C ATOM 810 C CYS A 60 -6.279 3.624 6.827 1.00 0.00 C ATOM 811 O CYS A 60 -6.401 3.510 8.045 1.00 0.00 O ATOM 812 CB CYS A 60 -4.038 3.097 5.763 1.00 0.00 C ATOM 813 SG CYS A 60 -2.784 2.490 6.950 1.00 0.00 S ATOM 0 H CYS A 60 -5.938 2.938 4.013 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.359 1.690 6.610 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -3.745 2.792 4.758 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.035 4.187 5.779 1.00 0.00 H new ATOM 817 N CYS A 61 -6.818 4.598 6.107 1.00 0.00 N ATOM 818 CA CYS A 61 -7.618 5.636 6.732 1.00 0.00 C ATOM 819 C CYS A 61 -8.780 4.968 7.470 1.00 0.00 C ATOM 820 O CYS A 61 -9.160 5.398 8.558 1.00 0.00 O ATOM 821 CB CYS A 61 -8.107 6.666 5.713 1.00 0.00 C ATOM 822 SG CYS A 61 -6.980 8.084 5.451 1.00 0.00 S ATOM 0 H CYS A 61 -6.716 4.689 5.096 1.00 0.00 H new ATOM 0 HA CYS A 61 -7.006 6.190 7.444 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.265 6.165 4.758 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.076 7.046 6.038 1.00 0.00 H new ATOM 826 N PHE A 62 -9.313 3.925 6.848 1.00 0.00 N ATOM 827 CA PHE A 62 -10.423 3.193 7.433 1.00 0.00 C ATOM 828 C PHE A 62 -9.941 2.259 8.544 1.00 0.00 C ATOM 829 O PHE A 62 -10.588 2.137 9.582 1.00 0.00 O ATOM 830 CB PHE A 62 -11.045 2.356 6.313 1.00 0.00 C ATOM 831 CG PHE A 62 -12.253 1.527 6.753 1.00 0.00 C ATOM 832 CD1 PHE A 62 -13.342 2.142 7.285 1.00 0.00 C ATOM 833 CD2 PHE A 62 -12.237 0.175 6.612 1.00 0.00 C ATOM 834 CE1 PHE A 62 -14.464 1.373 7.694 1.00 0.00 C ATOM 835 CE2 PHE A 62 -13.359 -0.595 7.020 1.00 0.00 C ATOM 836 CZ PHE A 62 -14.448 0.021 7.553 1.00 0.00 C ATOM 0 H PHE A 62 -8.996 3.570 5.946 1.00 0.00 H new ATOM 0 HA PHE A 62 -11.140 3.890 7.868 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -11.348 3.020 5.503 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.286 1.687 5.909 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -13.354 3.216 7.397 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -11.371 -0.314 6.190 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -15.329 1.862 8.117 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -13.347 -1.669 6.907 1.00 0.00 H new ATOM 0 HZ PHE A 62 -15.301 -0.564 7.864 1.00 0.00 H new ATOM 845 N ARG A 63 -8.806 1.623 8.287 1.00 0.00 N ATOM 846 CA ARG A 63 -8.229 0.703 9.253 1.00 0.00 C ATOM 847 C ARG A 63 -6.988 1.323 9.900 1.00 0.00 C ATOM 848 O ARG A 63 -5.881 1.188 9.382 1.00 0.00 O ATOM 849 CB ARG A 63 -7.843 -0.621 8.590 1.00 0.00 C ATOM 850 CG ARG A 63 -8.510 -1.802 9.297 1.00 0.00 C ATOM 851 CD ARG A 63 -9.471 -2.532 8.356 1.00 0.00 C ATOM 852 NE ARG A 63 -10.119 -3.657 9.066 1.00 0.00 N ATOM 853 CZ ARG A 63 -10.639 -4.731 8.457 1.00 0.00 C ATOM 854 NH1 ARG A 63 -10.592 -4.832 7.121 1.00 0.00 N ATOM 855 NH2 ARG A 63 -11.208 -5.703 9.182 1.00 0.00 N ATOM 0 H ARG A 63 -8.271 1.727 7.425 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.982 0.508 10.016 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.138 -0.606 7.541 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.760 -0.742 8.615 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.748 -2.495 9.653 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.053 -1.447 10.173 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.228 -1.840 7.988 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.929 -2.904 7.487 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.173 -3.612 10.084 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.160 -4.091 6.568 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.988 -5.650 6.657 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.246 -5.626 10.198 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.604 -6.520 8.718 1.00 0.00 H new ATOM 866 N SER A 64 -7.216 1.989 11.022 1.00 0.00 N ATOM 867 CA SER A 64 -6.130 2.629 11.746 1.00 0.00 C ATOM 868 C SER A 64 -4.872 1.761 11.676 1.00 0.00 C ATOM 869 O SER A 64 -4.709 0.834 12.467 1.00 0.00 O ATOM 870 CB SER A 64 -6.516 2.889 13.202 1.00 0.00 C ATOM 871 OG SER A 64 -6.912 1.693 13.871 1.00 0.00 O ATOM 0 H SER A 64 -8.136 2.100 11.448 1.00 0.00 H new ATOM 0 HA SER A 64 -5.926 3.591 11.276 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.671 3.335 13.727 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.331 3.611 13.238 1.00 0.00 H new ATOM 0 HG SER A 64 -6.282 0.974 13.655 1.00 0.00 H new ATOM 876 N CYS A 65 -4.014 2.094 10.722 1.00 0.00 N ATOM 877 CA CYS A 65 -2.776 1.357 10.539 1.00 0.00 C ATOM 878 C CYS A 65 -1.635 2.365 10.380 1.00 0.00 C ATOM 879 O CYS A 65 -1.393 2.865 9.282 1.00 0.00 O ATOM 880 CB CYS A 65 -2.859 0.397 9.351 1.00 0.00 C ATOM 881 SG CYS A 65 -3.542 1.130 7.819 1.00 0.00 S ATOM 0 H CYS A 65 -4.152 2.864 10.068 1.00 0.00 H new ATOM 0 HA CYS A 65 -2.589 0.733 11.413 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.860 0.015 9.140 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -3.474 -0.457 9.634 1.00 0.00 H new ATOM 885 N ASP A 66 -0.967 2.634 11.491 1.00 0.00 N ATOM 886 CA ASP A 66 0.142 3.574 11.490 1.00 0.00 C ATOM 887 C ASP A 66 1.049 3.282 10.293 1.00 0.00 C ATOM 888 O ASP A 66 0.702 3.594 9.155 1.00 0.00 O ATOM 889 CB ASP A 66 0.980 3.440 12.762 1.00 0.00 C ATOM 890 CG ASP A 66 0.342 4.029 14.022 1.00 0.00 C ATOM 891 OD1 ASP A 66 -0.736 4.646 13.877 1.00 0.00 O ATOM 892 OD2 ASP A 66 0.945 3.848 15.102 1.00 0.00 O ATOM 0 H ASP A 66 -1.172 2.218 12.399 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.270 4.582 11.435 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.183 2.383 12.936 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.942 3.926 12.598 1.00 0.00 H new ATOM 896 N LEU A 67 2.195 2.686 10.591 1.00 0.00 N ATOM 897 CA LEU A 67 3.156 2.349 9.554 1.00 0.00 C ATOM 898 C LEU A 67 2.967 0.887 9.147 1.00 0.00 C ATOM 899 O LEU A 67 3.240 0.515 8.007 1.00 0.00 O ATOM 900 CB LEU A 67 4.578 2.682 10.011 1.00 0.00 C ATOM 901 CG LEU A 67 5.149 1.798 11.121 1.00 0.00 C ATOM 902 CD1 LEU A 67 5.316 0.355 10.642 1.00 0.00 C ATOM 903 CD2 LEU A 67 6.457 2.377 11.664 1.00 0.00 C ATOM 0 H LEU A 67 2.479 2.428 11.536 1.00 0.00 H new ATOM 0 HA LEU A 67 2.984 2.954 8.664 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.240 2.620 9.147 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.596 3.717 10.352 1.00 0.00 H new ATOM 0 HG LEU A 67 4.437 1.782 11.946 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.724 -0.252 11.451 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.347 -0.043 10.342 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.997 0.331 9.791 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.842 1.730 12.452 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.188 2.442 10.858 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.274 3.372 12.069 1.00 0.00 H new ATOM 914 N ARG A 68 2.502 0.094 10.102 1.00 0.00 N ATOM 915 CA ARG A 68 2.273 -1.319 9.858 1.00 0.00 C ATOM 916 C ARG A 68 1.784 -1.538 8.425 1.00 0.00 C ATOM 917 O ARG A 68 2.182 -2.500 7.769 1.00 0.00 O ATOM 918 CB ARG A 68 1.242 -1.887 10.834 1.00 0.00 C ATOM 919 CG ARG A 68 1.749 -3.180 11.477 1.00 0.00 C ATOM 920 CD ARG A 68 1.540 -4.375 10.544 1.00 0.00 C ATOM 921 NE ARG A 68 2.419 -5.494 10.951 1.00 0.00 N ATOM 922 CZ ARG A 68 2.138 -6.347 11.945 1.00 0.00 C ATOM 923 NH1 ARG A 68 1.000 -6.216 12.640 1.00 0.00 N ATOM 924 NH2 ARG A 68 2.995 -7.334 12.243 1.00 0.00 N ATOM 0 H ARG A 68 2.278 0.405 11.047 1.00 0.00 H new ATOM 0 HA ARG A 68 3.220 -1.838 10.006 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.026 -1.152 11.609 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.307 -2.080 10.309 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.808 -3.081 11.715 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.225 -3.352 12.417 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.497 -4.692 10.573 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.757 -4.086 9.516 1.00 0.00 H new ATOM 0 HE ARG A 68 3.294 -5.624 10.443 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.347 -5.466 12.412 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.787 -6.866 13.397 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.861 -7.435 11.713 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.781 -7.984 13.000 1.00 0.00 H new ATOM 935 N ARG A 69 0.929 -0.629 7.981 1.00 0.00 N ATOM 936 CA ARG A 69 0.380 -0.711 6.637 1.00 0.00 C ATOM 937 C ARG A 69 1.455 -0.362 5.604 1.00 0.00 C ATOM 938 O ARG A 69 1.597 -1.050 4.595 1.00 0.00 O ATOM 939 CB ARG A 69 -0.807 0.238 6.468 1.00 0.00 C ATOM 940 CG ARG A 69 -1.998 -0.482 5.832 1.00 0.00 C ATOM 941 CD ARG A 69 -2.586 -1.521 6.788 1.00 0.00 C ATOM 942 NE ARG A 69 -4.064 -1.489 6.723 1.00 0.00 N ATOM 943 CZ ARG A 69 -4.857 -2.468 7.180 1.00 0.00 C ATOM 944 NH1 ARG A 69 -4.319 -3.561 7.739 1.00 0.00 N ATOM 945 NH2 ARG A 69 -6.188 -2.354 7.080 1.00 0.00 N ATOM 0 H ARG A 69 0.603 0.168 8.527 1.00 0.00 H new ATOM 0 HA ARG A 69 0.037 -1.734 6.480 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.097 0.640 7.439 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.515 1.084 5.846 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.765 0.244 5.563 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.682 -0.969 4.909 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -2.224 -2.515 6.526 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.254 -1.319 7.806 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.507 -0.671 6.304 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.306 -3.648 7.817 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.923 -4.306 8.087 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.598 -1.522 6.656 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.791 -3.099 7.428 1.00 0.00 H new ATOM 956 N LEU A 70 2.181 0.708 5.892 1.00 0.00 N ATOM 957 CA LEU A 70 3.238 1.156 5.001 1.00 0.00 C ATOM 958 C LEU A 70 4.040 -0.053 4.518 1.00 0.00 C ATOM 959 O LEU A 70 4.418 -0.125 3.349 1.00 0.00 O ATOM 960 CB LEU A 70 4.091 2.229 5.680 1.00 0.00 C ATOM 961 CG LEU A 70 5.581 1.909 5.824 1.00 0.00 C ATOM 962 CD1 LEU A 70 5.828 0.968 7.004 1.00 0.00 C ATOM 963 CD2 LEU A 70 6.151 1.351 4.517 1.00 0.00 C ATOM 0 H LEU A 70 2.058 1.278 6.729 1.00 0.00 H new ATOM 0 HA LEU A 70 2.814 1.631 4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.992 3.156 5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.682 2.416 6.673 1.00 0.00 H new ATOM 0 HG LEU A 70 6.111 2.838 6.036 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.894 0.757 7.084 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.481 1.439 7.924 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.284 0.036 6.846 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.211 1.132 4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.621 0.436 4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.027 2.087 3.722 1.00 0.00 H new ATOM 974 N GLU A 71 4.275 -0.974 5.441 1.00 0.00 N ATOM 975 CA GLU A 71 5.026 -2.177 5.124 1.00 0.00 C ATOM 976 C GLU A 71 4.103 -3.232 4.509 1.00 0.00 C ATOM 977 O GLU A 71 4.553 -4.091 3.753 1.00 0.00 O ATOM 978 CB GLU A 71 5.734 -2.724 6.364 1.00 0.00 C ATOM 979 CG GLU A 71 4.722 -3.218 7.401 1.00 0.00 C ATOM 980 CD GLU A 71 5.348 -4.269 8.320 1.00 0.00 C ATOM 981 OE1 GLU A 71 6.091 -3.853 9.235 1.00 0.00 O ATOM 982 OE2 GLU A 71 5.069 -5.466 8.086 1.00 0.00 O ATOM 0 H GLU A 71 3.959 -0.911 6.409 1.00 0.00 H new ATOM 0 HA GLU A 71 5.792 -1.921 4.392 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.396 -3.542 6.078 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.359 -1.946 6.803 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.364 -2.377 7.995 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.855 -3.642 6.895 1.00 0.00 H new ATOM 987 N MET A 72 2.829 -3.132 4.858 1.00 0.00 N ATOM 988 CA MET A 72 1.838 -4.067 4.351 1.00 0.00 C ATOM 989 C MET A 72 1.703 -3.951 2.830 1.00 0.00 C ATOM 990 O MET A 72 1.725 -4.957 2.123 1.00 0.00 O ATOM 991 CB MET A 72 0.485 -3.783 5.007 1.00 0.00 C ATOM 992 CG MET A 72 0.445 -4.328 6.436 1.00 0.00 C ATOM 993 SD MET A 72 -0.272 -5.962 6.447 1.00 0.00 S ATOM 994 CE MET A 72 1.190 -6.945 6.163 1.00 0.00 C ATOM 0 H MET A 72 2.460 -2.418 5.486 1.00 0.00 H new ATOM 0 HA MET A 72 2.163 -5.079 4.592 1.00 0.00 H new ATOM 0 HB2 MET A 72 0.300 -2.709 5.018 1.00 0.00 H new ATOM 0 HB3 MET A 72 -0.312 -4.237 4.418 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.453 -4.362 6.849 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.138 -3.662 7.072 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.136 -7.857 6.757 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.255 -7.204 5.106 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.073 -6.375 6.452 1.00 0.00 H new ATOM 1002 N TYR A 73 1.568 -2.714 2.373 1.00 0.00 N ATOM 1003 CA TYR A 73 1.429 -2.454 0.951 1.00 0.00 C ATOM 1004 C TYR A 73 2.791 -2.180 0.308 1.00 0.00 C ATOM 1005 O TYR A 73 2.976 -2.413 -0.884 1.00 0.00 O ATOM 1006 CB TYR A 73 0.562 -1.198 0.835 1.00 0.00 C ATOM 1007 CG TYR A 73 -0.199 -1.089 -0.488 1.00 0.00 C ATOM 1008 CD1 TYR A 73 0.044 -1.994 -1.501 1.00 0.00 C ATOM 1009 CD2 TYR A 73 -1.129 -0.084 -0.668 1.00 0.00 C ATOM 1010 CE1 TYR A 73 -0.672 -1.890 -2.747 1.00 0.00 C ATOM 1011 CE2 TYR A 73 -1.845 0.019 -1.914 1.00 0.00 C ATOM 1012 CZ TYR A 73 -1.581 -0.889 -2.891 1.00 0.00 C ATOM 1013 OH TYR A 73 -2.257 -0.791 -4.067 1.00 0.00 O ATOM 0 H TYR A 73 1.552 -1.882 2.963 1.00 0.00 H new ATOM 0 HA TYR A 73 0.990 -3.314 0.445 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.154 -1.186 1.657 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.196 -0.319 0.952 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.771 -2.780 -1.360 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.319 0.624 0.125 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.491 -2.591 -3.548 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.575 0.800 -2.068 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.874 -0.031 -4.027 1.00 0.00 H new ATOM 1022 N CYS A 74 3.708 -1.688 1.129 1.00 0.00 N ATOM 1023 CA CYS A 74 5.046 -1.380 0.656 1.00 0.00 C ATOM 1024 C CYS A 74 5.276 -2.128 -0.660 1.00 0.00 C ATOM 1025 O CYS A 74 6.314 -2.758 -0.846 1.00 0.00 O ATOM 1026 CB CYS A 74 6.109 -1.724 1.700 1.00 0.00 C ATOM 1027 SG CYS A 74 7.130 -0.310 2.252 1.00 0.00 S ATOM 0 H CYS A 74 3.550 -1.495 2.118 1.00 0.00 H new ATOM 0 HA CYS A 74 5.134 -0.307 0.483 1.00 0.00 H new ATOM 0 HB2 CYS A 74 5.616 -2.159 2.569 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.767 -2.490 1.289 1.00 0.00 H new ATOM 1031 N ALA A 75 4.287 -2.033 -1.537 1.00 0.00 N ATOM 1032 CA ALA A 75 4.368 -2.693 -2.828 1.00 0.00 C ATOM 1033 C ALA A 75 5.470 -2.037 -3.663 1.00 0.00 C ATOM 1034 O ALA A 75 5.810 -0.876 -3.447 1.00 0.00 O ATOM 1035 CB ALA A 75 3.003 -2.635 -3.517 1.00 0.00 C ATOM 0 HA ALA A 75 4.628 -3.744 -2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.063 -3.130 -4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.261 -3.139 -2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.711 -1.594 -3.659 1.00 0.00 H new ATOM 1041 N PRO A 76 6.011 -2.831 -4.627 1.00 0.00 N ATOM 1042 CA PRO A 76 7.067 -2.340 -5.495 1.00 0.00 C ATOM 1043 C PRO A 76 6.510 -1.381 -6.550 1.00 0.00 C ATOM 1044 O PRO A 76 5.319 -1.075 -6.546 1.00 0.00 O ATOM 1045 CB PRO A 76 7.693 -3.587 -6.097 1.00 0.00 C ATOM 1046 CG PRO A 76 6.672 -4.697 -5.909 1.00 0.00 C ATOM 1047 CD PRO A 76 5.633 -4.211 -4.913 1.00 0.00 C ATOM 0 HA PRO A 76 7.814 -1.755 -4.958 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.920 -3.440 -7.153 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.632 -3.832 -5.600 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.201 -4.948 -6.860 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.156 -5.603 -5.544 1.00 0.00 H new ATOM 0 HD2 PRO A 76 4.628 -4.268 -5.330 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.637 -4.818 -4.008 1.00 0.00 H new