USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 598 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 CYS SG : rot 93:sc= -1.73 USER MOD Set 1.2: A 32 MET CE :methyl -138:sc= -0.608 (180deg=-2.27!) USER MOD Set 2.1: A 24 MET CE :methyl 154:sc= -0.276 (180deg=-1.36) USER MOD Set 2.2: A 79 GLN :FLIP amide:sc= -0.26 F(o=-2.7,f=-0.54) USER MOD Single : A 23 THR OG1 : rot -66:sc= 0.106 USER MOD Single : A 27 GLN : amide:sc= -0.471 X(o=-0.47,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0282 K(o=-0.028,f=-1.2) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00433) USER MOD Single : A 43 LYS NZ :NH3+ -178:sc= 1.24 (180deg=1.16) USER MOD Single : A 45 GLN : amide:sc= -0.0794 X(o=-0.079,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 141:sc= -0.151 (180deg=-0.897) USER MOD Single : A 61 LYS NZ :NH3+ -134:sc= 1.01 (180deg=0.0319) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.53 USER MOD Single : A 72 THR OG1 : rot 145:sc= 0.948 USER MOD Single : A 74 SER OG : rot -30:sc= 0.0708 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.0762 X(o=-0.076,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.219 K(o=-0.22,f=-8.1!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 270 N GLY A 20 14.018 8.188 2.224 1.00 0.00 N ATOM 271 CA GLY A 20 14.274 8.070 0.812 1.00 0.00 C ATOM 272 C GLY A 20 13.889 6.700 0.305 1.00 0.00 C ATOM 273 O GLY A 20 12.703 6.372 0.246 1.00 0.00 O ATOM 0 HA2 GLY A 20 13.713 8.833 0.272 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.330 8.252 0.614 1.00 0.00 H new ATOM 277 N PHE A 21 14.890 5.904 -0.047 1.00 0.00 N ATOM 278 CA PHE A 21 14.786 4.490 -0.356 1.00 0.00 C ATOM 279 C PHE A 21 15.837 3.769 0.489 1.00 0.00 C ATOM 280 O PHE A 21 16.779 4.402 0.974 1.00 0.00 O ATOM 281 CB PHE A 21 15.007 4.260 -1.863 1.00 0.00 C ATOM 282 CG PHE A 21 13.787 4.406 -2.761 1.00 0.00 C ATOM 283 CD1 PHE A 21 13.109 5.636 -2.859 1.00 0.00 C ATOM 284 CD2 PHE A 21 13.337 3.314 -3.530 1.00 0.00 C ATOM 285 CE1 PHE A 21 11.987 5.774 -3.692 1.00 0.00 C ATOM 286 CE2 PHE A 21 12.192 3.441 -4.335 1.00 0.00 C ATOM 287 CZ PHE A 21 11.527 4.673 -4.430 1.00 0.00 C ATOM 0 H PHE A 21 15.846 6.249 -0.128 1.00 0.00 H new ATOM 0 HA PHE A 21 13.795 4.102 -0.122 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.768 4.960 -2.206 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.412 3.257 -1.999 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.456 6.484 -2.287 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.873 2.377 -3.501 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.480 6.725 -3.764 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.822 2.587 -4.883 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.663 4.773 -5.070 1.00 0.00 H new ATOM 297 N VAL A 22 15.665 2.467 0.702 1.00 0.00 N ATOM 298 CA VAL A 22 16.629 1.559 1.320 1.00 0.00 C ATOM 299 C VAL A 22 16.483 0.211 0.568 1.00 0.00 C ATOM 300 O VAL A 22 15.427 -0.064 -0.018 1.00 0.00 O ATOM 301 CB VAL A 22 16.341 1.481 2.848 1.00 0.00 C ATOM 302 CG1 VAL A 22 17.358 0.660 3.657 1.00 0.00 C ATOM 303 CG2 VAL A 22 16.261 2.845 3.564 1.00 0.00 C ATOM 0 H VAL A 22 14.804 1.991 0.434 1.00 0.00 H new ATOM 0 HA VAL A 22 17.665 1.888 1.239 1.00 0.00 H new ATOM 0 HB VAL A 22 15.368 0.991 2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 22 17.074 0.664 4.709 1.00 0.00 H new ATOM 0 HG12 VAL A 22 17.373 -0.366 3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 22 18.350 1.099 3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 22 16.057 2.688 4.623 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.209 3.372 3.451 1.00 0.00 H new ATOM 0 HG23 VAL A 22 15.460 3.440 3.125 1.00 0.00 H new ATOM 313 N THR A 23 17.516 -0.638 0.550 1.00 0.00 N ATOM 314 CA THR A 23 17.449 -2.000 0.011 1.00 0.00 C ATOM 315 C THR A 23 16.972 -2.955 1.120 1.00 0.00 C ATOM 316 O THR A 23 17.242 -2.717 2.300 1.00 0.00 O ATOM 317 CB THR A 23 18.842 -2.382 -0.537 1.00 0.00 C ATOM 318 OG1 THR A 23 19.195 -1.521 -1.603 1.00 0.00 O ATOM 319 CG2 THR A 23 18.933 -3.817 -1.071 1.00 0.00 C ATOM 0 H THR A 23 18.437 -0.394 0.915 1.00 0.00 H new ATOM 0 HA THR A 23 16.735 -2.068 -0.810 1.00 0.00 H new ATOM 0 HB THR A 23 19.517 -2.291 0.314 1.00 0.00 H new ATOM 0 HG1 THR A 23 18.589 -1.670 -2.358 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.942 -4.006 -1.437 1.00 0.00 H new ATOM 0 HG22 THR A 23 18.700 -4.519 -0.270 1.00 0.00 H new ATOM 0 HG23 THR A 23 18.221 -3.948 -1.886 1.00 0.00 H new ATOM 327 N MET A 24 16.296 -4.060 0.786 1.00 0.00 N ATOM 328 CA MET A 24 16.053 -5.171 1.687 1.00 0.00 C ATOM 329 C MET A 24 16.575 -6.461 1.082 1.00 0.00 C ATOM 330 O MET A 24 16.829 -6.556 -0.125 1.00 0.00 O ATOM 331 CB MET A 24 14.574 -5.364 2.019 1.00 0.00 C ATOM 332 CG MET A 24 13.732 -4.107 2.162 1.00 0.00 C ATOM 333 SD MET A 24 11.961 -4.342 2.492 1.00 0.00 S ATOM 334 CE MET A 24 12.028 -5.626 3.758 1.00 0.00 C ATOM 0 H MET A 24 15.897 -4.201 -0.142 1.00 0.00 H new ATOM 0 HA MET A 24 16.578 -4.928 2.611 1.00 0.00 H new ATOM 0 HB2 MET A 24 14.129 -5.983 1.240 1.00 0.00 H new ATOM 0 HB3 MET A 24 14.506 -5.926 2.951 1.00 0.00 H new ATOM 0 HG2 MET A 24 14.152 -3.507 2.969 1.00 0.00 H new ATOM 0 HG3 MET A 24 13.833 -3.524 1.246 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.137 -5.567 4.383 1.00 0.00 H new ATOM 0 HE2 MET A 24 12.073 -6.605 3.281 1.00 0.00 H new ATOM 0 HE3 MET A 24 12.915 -5.482 4.376 1.00 0.00 H new ATOM 344 N ILE A 25 16.628 -7.495 1.912 1.00 0.00 N ATOM 345 CA ILE A 25 17.281 -8.763 1.612 1.00 0.00 C ATOM 346 C ILE A 25 16.307 -9.911 1.895 1.00 0.00 C ATOM 347 O ILE A 25 15.559 -9.868 2.875 1.00 0.00 O ATOM 348 CB ILE A 25 18.578 -8.875 2.450 1.00 0.00 C ATOM 349 CG1 ILE A 25 19.522 -7.654 2.325 1.00 0.00 C ATOM 350 CG2 ILE A 25 19.337 -10.176 2.138 1.00 0.00 C ATOM 351 CD1 ILE A 25 20.124 -7.414 0.937 1.00 0.00 C ATOM 0 H ILE A 25 16.205 -7.474 2.840 1.00 0.00 H new ATOM 0 HA ILE A 25 17.559 -8.818 0.559 1.00 0.00 H new ATOM 0 HB ILE A 25 18.244 -8.894 3.487 1.00 0.00 H new ATOM 0 HG12 ILE A 25 18.971 -6.761 2.620 1.00 0.00 H new ATOM 0 HG13 ILE A 25 20.338 -7.775 3.038 1.00 0.00 H new ATOM 0 HG21 ILE A 25 20.242 -10.223 2.743 1.00 0.00 H new ATOM 0 HG22 ILE A 25 18.702 -11.032 2.368 1.00 0.00 H new ATOM 0 HG23 ILE A 25 19.605 -10.196 1.082 1.00 0.00 H new ATOM 0 HD11 ILE A 25 20.767 -6.535 0.967 1.00 0.00 H new ATOM 0 HD12 ILE A 25 20.711 -8.283 0.640 1.00 0.00 H new ATOM 0 HD13 ILE A 25 19.323 -7.253 0.216 1.00 0.00 H new ATOM 363 N LEU A 26 16.352 -10.944 1.052 1.00 0.00 N ATOM 364 CA LEU A 26 15.678 -12.235 1.207 1.00 0.00 C ATOM 365 C LEU A 26 16.740 -13.338 1.170 1.00 0.00 C ATOM 366 O LEU A 26 17.745 -13.212 0.461 1.00 0.00 O ATOM 367 CB LEU A 26 14.675 -12.432 0.052 1.00 0.00 C ATOM 368 CG LEU A 26 13.186 -12.288 0.404 1.00 0.00 C ATOM 369 CD1 LEU A 26 12.850 -10.934 1.018 1.00 0.00 C ATOM 370 CD2 LEU A 26 12.341 -12.476 -0.857 1.00 0.00 C ATOM 0 H LEU A 26 16.894 -10.899 0.189 1.00 0.00 H new ATOM 0 HA LEU A 26 15.137 -12.271 2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.911 -11.712 -0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.831 -13.425 -0.370 1.00 0.00 H new ATOM 0 HG LEU A 26 12.962 -13.054 1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.785 -10.892 1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.422 -10.799 1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.102 -10.142 0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.285 -12.374 -0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.614 -11.720 -1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.521 -13.468 -1.271 1.00 0.00 H new ATOM 382 N GLN A 27 16.513 -14.438 1.891 1.00 0.00 N ATOM 383 CA GLN A 27 17.384 -15.605 1.957 1.00 0.00 C ATOM 384 C GLN A 27 16.499 -16.842 1.965 1.00 0.00 C ATOM 385 O GLN A 27 15.661 -17.000 2.857 1.00 0.00 O ATOM 386 CB GLN A 27 18.242 -15.598 3.232 1.00 0.00 C ATOM 387 CG GLN A 27 19.359 -14.560 3.236 1.00 0.00 C ATOM 388 CD GLN A 27 20.665 -14.988 2.567 1.00 0.00 C ATOM 389 OE1 GLN A 27 21.728 -14.505 2.947 1.00 0.00 O ATOM 390 NE2 GLN A 27 20.682 -15.807 1.526 1.00 0.00 N ATOM 0 H GLN A 27 15.679 -14.540 2.469 1.00 0.00 H new ATOM 0 HA GLN A 27 18.058 -15.596 1.100 1.00 0.00 H new ATOM 0 HB2 GLN A 27 17.594 -15.419 4.090 1.00 0.00 H new ATOM 0 HB3 GLN A 27 18.681 -16.587 3.365 1.00 0.00 H new ATOM 0 HG2 GLN A 27 18.996 -13.660 2.739 1.00 0.00 H new ATOM 0 HG3 GLN A 27 19.574 -14.289 4.270 1.00 0.00 H new ATOM 0 HE21 GLN A 27 19.813 -16.222 1.190 1.00 0.00 H new ATOM 0 HE22 GLN A 27 21.564 -16.022 1.061 1.00 0.00 H new ATOM 399 N CYS A 28 16.722 -17.725 1.001 1.00 0.00 N ATOM 400 CA CYS A 28 15.928 -18.910 0.757 1.00 0.00 C ATOM 401 C CYS A 28 16.844 -20.125 0.853 1.00 0.00 C ATOM 402 O CYS A 28 17.786 -20.241 0.075 1.00 0.00 O ATOM 403 CB CYS A 28 15.262 -18.785 -0.628 1.00 0.00 C ATOM 404 SG CYS A 28 16.407 -18.242 -1.916 1.00 0.00 S ATOM 0 H CYS A 28 17.495 -17.626 0.343 1.00 0.00 H new ATOM 0 HA CYS A 28 15.134 -19.024 1.495 1.00 0.00 H new ATOM 0 HB2 CYS A 28 14.838 -19.749 -0.909 1.00 0.00 H new ATOM 0 HB3 CYS A 28 14.434 -18.079 -0.564 1.00 0.00 H new ATOM 0 HG CYS A 28 16.918 -19.280 -2.508 1.00 0.00 H new ATOM 410 N SER A 29 16.572 -21.068 1.755 1.00 0.00 N ATOM 411 CA SER A 29 17.291 -22.344 1.810 1.00 0.00 C ATOM 412 C SER A 29 16.941 -23.291 0.642 1.00 0.00 C ATOM 413 O SER A 29 17.044 -24.516 0.777 1.00 0.00 O ATOM 414 CB SER A 29 17.059 -22.995 3.175 1.00 0.00 C ATOM 415 OG SER A 29 17.555 -22.172 4.217 1.00 0.00 O ATOM 0 H SER A 29 15.849 -20.971 2.468 1.00 0.00 H new ATOM 0 HA SER A 29 18.355 -22.138 1.690 1.00 0.00 H new ATOM 0 HB2 SER A 29 15.994 -23.172 3.322 1.00 0.00 H new ATOM 0 HB3 SER A 29 17.551 -23.967 3.208 1.00 0.00 H new ATOM 0 HG SER A 29 17.395 -22.606 5.081 1.00 0.00 H new ATOM 421 N ILE A 30 16.521 -22.744 -0.498 1.00 0.00 N ATOM 422 CA ILE A 30 16.339 -23.423 -1.765 1.00 0.00 C ATOM 423 C ILE A 30 16.926 -22.525 -2.840 1.00 0.00 C ATOM 424 O ILE A 30 17.037 -21.309 -2.676 1.00 0.00 O ATOM 425 CB ILE A 30 14.865 -23.811 -2.053 1.00 0.00 C ATOM 426 CG1 ILE A 30 13.801 -22.709 -1.836 1.00 0.00 C ATOM 427 CG2 ILE A 30 14.522 -25.050 -1.215 1.00 0.00 C ATOM 428 CD1 ILE A 30 13.652 -21.725 -3.002 1.00 0.00 C ATOM 0 H ILE A 30 16.286 -21.753 -0.557 1.00 0.00 H new ATOM 0 HA ILE A 30 16.858 -24.381 -1.742 1.00 0.00 H new ATOM 0 HB ILE A 30 14.817 -24.002 -3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 30 12.837 -23.184 -1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 30 14.056 -22.149 -0.936 1.00 0.00 H new ATOM 0 HG21 ILE A 30 13.488 -25.341 -1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.185 -25.870 -1.490 1.00 0.00 H new ATOM 0 HG23 ILE A 30 14.648 -24.820 -0.157 1.00 0.00 H new ATOM 0 HD11 ILE A 30 12.885 -20.989 -2.761 1.00 0.00 H new ATOM 0 HD12 ILE A 30 14.601 -21.217 -3.173 1.00 0.00 H new ATOM 0 HD13 ILE A 30 13.364 -22.268 -3.902 1.00 0.00 H new ATOM 440 N GLU A 31 17.324 -23.150 -3.937 1.00 0.00 N ATOM 441 CA GLU A 31 17.723 -22.461 -5.136 1.00 0.00 C ATOM 442 C GLU A 31 16.474 -21.872 -5.758 1.00 0.00 C ATOM 443 O GLU A 31 15.451 -22.555 -5.849 1.00 0.00 O ATOM 444 CB GLU A 31 18.388 -23.473 -6.067 1.00 0.00 C ATOM 445 CG GLU A 31 19.166 -22.786 -7.185 1.00 0.00 C ATOM 446 CD GLU A 31 20.044 -23.804 -7.902 1.00 0.00 C ATOM 447 OE1 GLU A 31 21.093 -24.195 -7.344 1.00 0.00 O ATOM 448 OE2 GLU A 31 19.686 -24.246 -9.019 1.00 0.00 O ATOM 0 H GLU A 31 17.377 -24.166 -4.012 1.00 0.00 H new ATOM 0 HA GLU A 31 18.434 -21.659 -4.936 1.00 0.00 H new ATOM 0 HB2 GLU A 31 19.062 -24.108 -5.492 1.00 0.00 H new ATOM 0 HB3 GLU A 31 17.628 -24.124 -6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 31 18.475 -22.326 -7.892 1.00 0.00 H new ATOM 0 HG3 GLU A 31 19.782 -21.986 -6.774 1.00 0.00 H new ATOM 455 N MET A 32 16.577 -20.628 -6.209 1.00 0.00 N ATOM 456 CA MET A 32 15.500 -19.941 -6.895 1.00 0.00 C ATOM 457 C MET A 32 15.794 -19.881 -8.399 1.00 0.00 C ATOM 458 O MET A 32 16.368 -18.896 -8.870 1.00 0.00 O ATOM 459 CB MET A 32 15.300 -18.551 -6.295 1.00 0.00 C ATOM 460 CG MET A 32 14.549 -18.552 -4.972 1.00 0.00 C ATOM 461 SD MET A 32 14.060 -16.880 -4.460 1.00 0.00 S ATOM 462 CE MET A 32 15.654 -16.025 -4.427 1.00 0.00 C ATOM 0 H MET A 32 17.421 -20.065 -6.106 1.00 0.00 H new ATOM 0 HA MET A 32 14.569 -20.492 -6.762 1.00 0.00 H new ATOM 0 HB2 MET A 32 16.275 -18.086 -6.148 1.00 0.00 H new ATOM 0 HB3 MET A 32 14.757 -17.933 -7.009 1.00 0.00 H new ATOM 0 HG2 MET A 32 13.661 -19.177 -5.061 1.00 0.00 H new ATOM 0 HG3 MET A 32 15.177 -18.998 -4.200 1.00 0.00 H new ATOM 0 HE1 MET A 32 15.707 -15.388 -3.544 1.00 0.00 H new ATOM 0 HE2 MET A 32 16.460 -16.758 -4.394 1.00 0.00 H new ATOM 0 HE3 MET A 32 15.757 -15.413 -5.323 1.00 0.00 H new ATOM 472 N PRO A 33 15.445 -20.906 -9.194 1.00 0.00 N ATOM 473 CA PRO A 33 15.598 -20.854 -10.644 1.00 0.00 C ATOM 474 C PRO A 33 14.666 -19.828 -11.308 1.00 0.00 C ATOM 475 O PRO A 33 14.868 -19.510 -12.483 1.00 0.00 O ATOM 476 CB PRO A 33 15.299 -22.270 -11.131 1.00 0.00 C ATOM 477 CG PRO A 33 14.359 -22.817 -10.068 1.00 0.00 C ATOM 478 CD PRO A 33 14.897 -22.190 -8.792 1.00 0.00 C ATOM 0 HA PRO A 33 16.602 -20.527 -10.913 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.833 -22.266 -12.116 1.00 0.00 H new ATOM 0 HB3 PRO A 33 16.207 -22.868 -11.211 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.324 -22.529 -10.256 1.00 0.00 H new ATOM 0 HG3 PRO A 33 14.385 -23.906 -10.026 1.00 0.00 H new ATOM 0 HD2 PRO A 33 14.106 -22.065 -8.052 1.00 0.00 H new ATOM 0 HD3 PRO A 33 15.663 -22.819 -8.338 1.00 0.00 H new ATOM 486 N ASN A 34 13.668 -19.295 -10.595 1.00 0.00 N ATOM 487 CA ASN A 34 12.848 -18.161 -11.013 1.00 0.00 C ATOM 488 C ASN A 34 12.620 -17.248 -9.826 1.00 0.00 C ATOM 489 O ASN A 34 12.569 -17.689 -8.680 1.00 0.00 O ATOM 490 CB ASN A 34 11.482 -18.565 -11.593 1.00 0.00 C ATOM 491 CG ASN A 34 10.676 -19.466 -10.671 1.00 0.00 C ATOM 492 OD1 ASN A 34 9.993 -19.012 -9.759 1.00 0.00 O ATOM 493 ND2 ASN A 34 10.734 -20.763 -10.907 1.00 0.00 N ATOM 0 H ASN A 34 13.402 -19.657 -9.679 1.00 0.00 H new ATOM 0 HA ASN A 34 13.397 -17.659 -11.810 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.905 -17.665 -11.804 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.636 -19.075 -12.544 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.204 -21.411 -10.325 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.309 -21.117 -11.671 1.00 0.00 H new ATOM 500 N ILE A 35 12.434 -15.970 -10.135 1.00 0.00 N ATOM 501 CA ILE A 35 12.142 -14.911 -9.188 1.00 0.00 C ATOM 502 C ILE A 35 10.723 -15.033 -8.597 1.00 0.00 C ATOM 503 O ILE A 35 10.473 -14.522 -7.505 1.00 0.00 O ATOM 504 CB ILE A 35 12.435 -13.571 -9.904 1.00 0.00 C ATOM 505 CG1 ILE A 35 12.364 -12.395 -8.922 1.00 0.00 C ATOM 506 CG2 ILE A 35 11.540 -13.340 -11.135 1.00 0.00 C ATOM 507 CD1 ILE A 35 13.130 -11.161 -9.417 1.00 0.00 C ATOM 0 H ILE A 35 12.486 -15.633 -11.096 1.00 0.00 H new ATOM 0 HA ILE A 35 12.779 -14.979 -8.306 1.00 0.00 H new ATOM 0 HB ILE A 35 13.455 -13.634 -10.283 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.320 -12.127 -8.757 1.00 0.00 H new ATOM 0 HG13 ILE A 35 12.769 -12.706 -7.959 1.00 0.00 H new ATOM 0 HG21 ILE A 35 11.793 -12.384 -11.594 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.698 -14.142 -11.856 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.494 -13.330 -10.828 1.00 0.00 H new ATOM 0 HD11 ILE A 35 13.045 -10.361 -8.682 1.00 0.00 H new ATOM 0 HD12 ILE A 35 14.181 -11.416 -9.555 1.00 0.00 H new ATOM 0 HD13 ILE A 35 12.709 -10.828 -10.366 1.00 0.00 H new ATOM 519 N SER A 36 9.795 -15.749 -9.250 1.00 0.00 N ATOM 520 CA SER A 36 8.462 -15.978 -8.694 1.00 0.00 C ATOM 521 C SER A 36 8.483 -16.728 -7.364 1.00 0.00 C ATOM 522 O SER A 36 7.552 -16.539 -6.589 1.00 0.00 O ATOM 523 CB SER A 36 7.541 -16.682 -9.691 1.00 0.00 C ATOM 524 OG SER A 36 6.983 -15.732 -10.578 1.00 0.00 O ATOM 0 H SER A 36 9.948 -16.177 -10.163 1.00 0.00 H new ATOM 0 HA SER A 36 8.059 -14.986 -8.493 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.100 -17.432 -10.251 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.748 -17.207 -9.159 1.00 0.00 H new ATOM 0 HG SER A 36 6.395 -16.187 -11.217 1.00 0.00 H new ATOM 530 N TYR A 37 9.534 -17.492 -7.045 1.00 0.00 N ATOM 531 CA TYR A 37 9.706 -18.045 -5.707 1.00 0.00 C ATOM 532 C TYR A 37 9.611 -16.939 -4.645 1.00 0.00 C ATOM 533 O TYR A 37 8.870 -17.080 -3.668 1.00 0.00 O ATOM 534 CB TYR A 37 11.053 -18.774 -5.630 1.00 0.00 C ATOM 535 CG TYR A 37 11.002 -20.234 -6.031 1.00 0.00 C ATOM 536 CD1 TYR A 37 10.518 -21.172 -5.102 1.00 0.00 C ATOM 537 CD2 TYR A 37 11.467 -20.666 -7.288 1.00 0.00 C ATOM 538 CE1 TYR A 37 10.501 -22.540 -5.411 1.00 0.00 C ATOM 539 CE2 TYR A 37 11.444 -22.035 -7.609 1.00 0.00 C ATOM 540 CZ TYR A 37 10.975 -22.978 -6.667 1.00 0.00 C ATOM 541 OH TYR A 37 10.991 -24.302 -6.972 1.00 0.00 O ATOM 0 H TYR A 37 10.276 -17.739 -7.700 1.00 0.00 H new ATOM 0 HA TYR A 37 8.907 -18.759 -5.505 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.768 -18.259 -6.272 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.432 -18.704 -4.610 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.156 -20.836 -4.142 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.840 -19.948 -8.003 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.127 -23.254 -4.692 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.786 -22.367 -8.578 1.00 0.00 H new ATOM 0 HH TYR A 37 11.347 -24.425 -7.877 1.00 0.00 H new ATOM 551 N ALA A 38 10.319 -15.824 -4.852 1.00 0.00 N ATOM 552 CA ALA A 38 10.320 -14.710 -3.915 1.00 0.00 C ATOM 553 C ALA A 38 8.949 -14.042 -3.896 1.00 0.00 C ATOM 554 O ALA A 38 8.416 -13.773 -2.819 1.00 0.00 O ATOM 555 CB ALA A 38 11.413 -13.708 -4.302 1.00 0.00 C ATOM 0 H ALA A 38 10.904 -15.674 -5.674 1.00 0.00 H new ATOM 0 HA ALA A 38 10.531 -15.081 -2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.410 -12.876 -3.598 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.385 -14.201 -4.276 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.223 -13.333 -5.308 1.00 0.00 H new ATOM 561 N TRP A 39 8.387 -13.794 -5.087 1.00 0.00 N ATOM 562 CA TRP A 39 7.086 -13.157 -5.207 1.00 0.00 C ATOM 563 C TRP A 39 5.996 -13.943 -4.485 1.00 0.00 C ATOM 564 O TRP A 39 5.241 -13.312 -3.757 1.00 0.00 O ATOM 565 CB TRP A 39 6.706 -12.923 -6.673 1.00 0.00 C ATOM 566 CG TRP A 39 7.520 -11.895 -7.404 1.00 0.00 C ATOM 567 CD1 TRP A 39 8.231 -12.092 -8.538 1.00 0.00 C ATOM 568 CD2 TRP A 39 7.660 -10.476 -7.093 1.00 0.00 C ATOM 569 NE1 TRP A 39 8.749 -10.891 -8.977 1.00 0.00 N ATOM 570 CE2 TRP A 39 8.447 -9.861 -8.111 1.00 0.00 C ATOM 571 CE3 TRP A 39 7.200 -9.646 -6.046 1.00 0.00 C ATOM 572 CZ2 TRP A 39 8.757 -8.493 -8.092 1.00 0.00 C ATOM 573 CZ3 TRP A 39 7.515 -8.275 -6.012 1.00 0.00 C ATOM 574 CH2 TRP A 39 8.283 -7.700 -7.039 1.00 0.00 C ATOM 0 H TRP A 39 8.822 -14.029 -5.979 1.00 0.00 H new ATOM 0 HA TRP A 39 7.168 -12.185 -4.721 1.00 0.00 H new ATOM 0 HB2 TRP A 39 6.789 -13.870 -7.206 1.00 0.00 H new ATOM 0 HB3 TRP A 39 5.658 -12.625 -6.714 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.372 -13.045 -9.026 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.288 -10.779 -9.835 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.596 -10.071 -5.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.354 -8.057 -8.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 7.165 -7.663 -5.194 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.508 -6.644 -7.016 1.00 0.00 H new ATOM 585 N LYS A 40 5.905 -15.270 -4.663 1.00 0.00 N ATOM 586 CA LYS A 40 4.862 -16.071 -4.020 1.00 0.00 C ATOM 587 C LYS A 40 4.900 -15.882 -2.511 1.00 0.00 C ATOM 588 O LYS A 40 3.873 -15.569 -1.917 1.00 0.00 O ATOM 589 CB LYS A 40 4.967 -17.568 -4.373 1.00 0.00 C ATOM 590 CG LYS A 40 4.076 -17.991 -5.551 1.00 0.00 C ATOM 591 CD LYS A 40 4.672 -17.668 -6.926 1.00 0.00 C ATOM 592 CE LYS A 40 3.797 -18.162 -8.084 1.00 0.00 C ATOM 593 NZ LYS A 40 2.506 -17.451 -8.166 1.00 0.00 N ATOM 0 H LYS A 40 6.544 -15.808 -5.248 1.00 0.00 H new ATOM 0 HA LYS A 40 3.906 -15.715 -4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.004 -17.804 -4.611 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.699 -18.158 -3.497 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.892 -19.064 -5.488 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.109 -17.496 -5.459 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.808 -16.590 -7.014 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.660 -18.121 -7.004 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.337 -18.035 -9.022 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.612 -19.230 -7.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.969 -17.800 -8.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.961 -17.620 -7.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.678 -16.431 -8.274 1.00 0.00 H new ATOM 607 N GLU A 41 6.062 -16.073 -1.882 1.00 0.00 N ATOM 608 CA GLU A 41 6.107 -16.040 -0.423 1.00 0.00 C ATOM 609 C GLU A 41 5.777 -14.638 0.077 1.00 0.00 C ATOM 610 O GLU A 41 4.979 -14.467 0.994 1.00 0.00 O ATOM 611 CB GLU A 41 7.472 -16.482 0.115 1.00 0.00 C ATOM 612 CG GLU A 41 7.271 -17.380 1.347 1.00 0.00 C ATOM 613 CD GLU A 41 6.854 -18.824 1.004 1.00 0.00 C ATOM 614 OE1 GLU A 41 6.468 -19.120 -0.153 1.00 0.00 O ATOM 615 OE2 GLU A 41 6.947 -19.713 1.887 1.00 0.00 O ATOM 0 H GLU A 41 6.955 -16.246 -2.343 1.00 0.00 H new ATOM 0 HA GLU A 41 5.362 -16.744 -0.052 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.021 -17.022 -0.656 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.070 -15.610 0.381 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.197 -17.406 1.921 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.511 -16.935 1.989 1.00 0.00 H new ATOM 622 N LEU A 42 6.363 -13.616 -0.549 1.00 0.00 N ATOM 623 CA LEU A 42 6.073 -12.237 -0.192 1.00 0.00 C ATOM 624 C LEU A 42 4.595 -11.896 -0.390 1.00 0.00 C ATOM 625 O LEU A 42 4.016 -11.213 0.451 1.00 0.00 O ATOM 626 CB LEU A 42 6.983 -11.268 -0.966 1.00 0.00 C ATOM 627 CG LEU A 42 8.412 -11.235 -0.394 1.00 0.00 C ATOM 628 CD1 LEU A 42 9.368 -10.525 -1.361 1.00 0.00 C ATOM 629 CD2 LEU A 42 8.462 -10.488 0.946 1.00 0.00 C ATOM 0 H LEU A 42 7.040 -13.723 -1.304 1.00 0.00 H new ATOM 0 HA LEU A 42 6.285 -12.121 0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.019 -11.564 -2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.556 -10.266 -0.933 1.00 0.00 H new ATOM 0 HG LEU A 42 8.716 -12.272 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.372 -10.513 -0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.383 -11.055 -2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.030 -9.501 -1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.485 -10.483 1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.123 -9.462 0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.813 -10.988 1.666 1.00 0.00 H new ATOM 641 N LYS A 43 3.964 -12.366 -1.465 1.00 0.00 N ATOM 642 CA LYS A 43 2.539 -12.169 -1.719 1.00 0.00 C ATOM 643 C LYS A 43 1.670 -12.953 -0.739 1.00 0.00 C ATOM 644 O LYS A 43 0.515 -12.578 -0.544 1.00 0.00 O ATOM 645 CB LYS A 43 2.200 -12.567 -3.170 1.00 0.00 C ATOM 646 CG LYS A 43 2.639 -11.465 -4.145 1.00 0.00 C ATOM 647 CD LYS A 43 2.337 -11.802 -5.609 1.00 0.00 C ATOM 648 CE LYS A 43 2.755 -10.606 -6.481 1.00 0.00 C ATOM 649 NZ LYS A 43 2.113 -10.630 -7.808 1.00 0.00 N ATOM 0 H LYS A 43 4.436 -12.902 -2.194 1.00 0.00 H new ATOM 0 HA LYS A 43 2.321 -11.111 -1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.697 -13.504 -3.422 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.128 -12.740 -3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.137 -10.534 -3.882 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.709 -11.293 -4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.879 -12.699 -5.911 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.275 -12.012 -5.738 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.495 -9.679 -5.971 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.838 -10.609 -6.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.451 -9.824 -8.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.354 -11.517 -8.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.081 -10.566 -7.696 1.00 0.00 H new ATOM 663 N GLU A 44 2.196 -14.007 -0.117 1.00 0.00 N ATOM 664 CA GLU A 44 1.514 -14.731 0.944 1.00 0.00 C ATOM 665 C GLU A 44 1.420 -13.880 2.219 1.00 0.00 C ATOM 666 O GLU A 44 0.508 -14.105 3.015 1.00 0.00 O ATOM 667 CB GLU A 44 2.265 -16.045 1.251 1.00 0.00 C ATOM 668 CG GLU A 44 1.352 -17.277 1.307 1.00 0.00 C ATOM 669 CD GLU A 44 1.312 -18.035 -0.020 1.00 0.00 C ATOM 670 OE1 GLU A 44 0.665 -17.571 -0.983 1.00 0.00 O ATOM 671 OE2 GLU A 44 1.893 -19.147 -0.086 1.00 0.00 O ATOM 0 H GLU A 44 3.117 -14.383 -0.341 1.00 0.00 H new ATOM 0 HA GLU A 44 0.503 -14.958 0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.028 -16.204 0.489 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.783 -15.943 2.205 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.698 -17.947 2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.342 -16.965 1.575 1.00 0.00 H new ATOM 678 N GLN A 45 2.353 -12.939 2.438 1.00 0.00 N ATOM 679 CA GLN A 45 2.528 -12.224 3.709 1.00 0.00 C ATOM 680 C GLN A 45 2.246 -10.714 3.610 1.00 0.00 C ATOM 681 O GLN A 45 1.985 -10.079 4.629 1.00 0.00 O ATOM 682 CB GLN A 45 3.966 -12.425 4.229 1.00 0.00 C ATOM 683 CG GLN A 45 4.472 -13.873 4.376 1.00 0.00 C ATOM 684 CD GLN A 45 3.822 -14.754 5.446 1.00 0.00 C ATOM 685 OE1 GLN A 45 3.817 -15.977 5.310 1.00 0.00 O ATOM 686 NE2 GLN A 45 3.300 -14.219 6.541 1.00 0.00 N ATOM 0 H GLN A 45 3.019 -12.650 1.721 1.00 0.00 H new ATOM 0 HA GLN A 45 1.796 -12.647 4.397 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.644 -11.898 3.557 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.043 -11.941 5.203 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.348 -14.370 3.414 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.542 -13.834 4.580 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.299 -13.206 6.663 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.899 -14.820 7.261 1.00 0.00 H new ATOM 695 N LEU A 46 2.318 -10.113 2.420 1.00 0.00 N ATOM 696 CA LEU A 46 2.171 -8.668 2.196 1.00 0.00 C ATOM 697 C LEU A 46 0.910 -8.355 1.381 1.00 0.00 C ATOM 698 O LEU A 46 0.722 -7.209 0.959 1.00 0.00 O ATOM 699 CB LEU A 46 3.425 -8.108 1.488 1.00 0.00 C ATOM 700 CG LEU A 46 4.746 -8.173 2.281 1.00 0.00 C ATOM 701 CD1 LEU A 46 5.932 -7.898 1.356 1.00 0.00 C ATOM 702 CD2 LEU A 46 4.749 -7.182 3.441 1.00 0.00 C ATOM 0 H LEU A 46 2.485 -10.632 1.558 1.00 0.00 H new ATOM 0 HA LEU A 46 2.067 -8.184 3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.561 -8.651 0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.234 -7.067 1.227 1.00 0.00 H new ATOM 0 HG LEU A 46 4.837 -9.177 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.859 -7.947 1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.956 -8.645 0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.829 -6.906 0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.694 -7.254 3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.627 -6.170 3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.927 -7.413 4.119 1.00 0.00 H new ATOM 714 N GLY A 47 0.047 -9.341 1.146 1.00 0.00 N ATOM 715 CA GLY A 47 -1.078 -9.267 0.233 1.00 0.00 C ATOM 716 C GLY A 47 -0.595 -9.350 -1.212 1.00 0.00 C ATOM 717 O GLY A 47 0.482 -8.859 -1.561 1.00 0.00 O ATOM 0 H GLY A 47 0.120 -10.247 1.608 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.775 -10.080 0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.621 -8.335 0.389 1.00 0.00 H new ATOM 721 N GLU A 48 -1.413 -9.948 -2.073 1.00 0.00 N ATOM 722 CA GLU A 48 -1.061 -10.331 -3.417 1.00 0.00 C ATOM 723 C GLU A 48 -0.534 -9.183 -4.278 1.00 0.00 C ATOM 724 O GLU A 48 0.360 -9.368 -5.099 1.00 0.00 O ATOM 725 CB GLU A 48 -2.329 -10.924 -4.033 1.00 0.00 C ATOM 726 CG GLU A 48 -1.901 -11.931 -5.083 1.00 0.00 C ATOM 727 CD GLU A 48 -3.046 -12.499 -5.913 1.00 0.00 C ATOM 728 OE1 GLU A 48 -4.236 -12.357 -5.539 1.00 0.00 O ATOM 729 OE2 GLU A 48 -2.748 -13.122 -6.956 1.00 0.00 O ATOM 0 H GLU A 48 -2.376 -10.184 -1.834 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.236 -11.043 -3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.938 -11.405 -3.267 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.940 -10.140 -4.481 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.183 -11.457 -5.752 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.382 -12.753 -4.590 1.00 0.00 H new ATOM 736 N GLU A 49 -1.084 -7.987 -4.107 1.00 0.00 N ATOM 737 CA GLU A 49 -0.869 -6.893 -5.045 1.00 0.00 C ATOM 738 C GLU A 49 0.404 -6.096 -4.737 1.00 0.00 C ATOM 739 O GLU A 49 0.586 -4.980 -5.228 1.00 0.00 O ATOM 740 CB GLU A 49 -2.076 -5.960 -5.007 1.00 0.00 C ATOM 741 CG GLU A 49 -3.439 -6.628 -5.184 1.00 0.00 C ATOM 742 CD GLU A 49 -4.503 -5.553 -5.030 1.00 0.00 C ATOM 743 OE1 GLU A 49 -4.803 -5.182 -3.872 1.00 0.00 O ATOM 744 OE2 GLU A 49 -4.992 -5.032 -6.059 1.00 0.00 O ATOM 0 H GLU A 49 -1.688 -7.749 -3.320 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.746 -7.327 -6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.073 -5.431 -4.054 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.956 -5.210 -5.788 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.510 -7.099 -6.165 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.579 -7.414 -4.442 1.00 0.00 H new ATOM 751 N ILE A 50 1.258 -6.607 -3.850 1.00 0.00 N ATOM 752 CA ILE A 50 2.395 -5.879 -3.305 1.00 0.00 C ATOM 753 C ILE A 50 3.343 -5.359 -4.398 1.00 0.00 C ATOM 754 O ILE A 50 3.854 -4.242 -4.272 1.00 0.00 O ATOM 755 CB ILE A 50 3.082 -6.753 -2.234 1.00 0.00 C ATOM 756 CG1 ILE A 50 4.198 -5.986 -1.512 1.00 0.00 C ATOM 757 CG2 ILE A 50 3.633 -8.079 -2.792 1.00 0.00 C ATOM 758 CD1 ILE A 50 3.698 -4.769 -0.729 1.00 0.00 C ATOM 0 H ILE A 50 1.174 -7.556 -3.486 1.00 0.00 H new ATOM 0 HA ILE A 50 2.044 -4.970 -2.816 1.00 0.00 H new ATOM 0 HB ILE A 50 2.299 -7.004 -1.518 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.709 -6.663 -0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.935 -5.658 -2.245 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.103 -8.645 -1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.816 -8.662 -3.217 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.370 -7.869 -3.567 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.541 -4.276 -0.245 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.213 -4.071 -1.412 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.983 -5.092 0.028 1.00 0.00 H new ATOM 770 N ASP A 51 3.542 -6.123 -5.475 1.00 0.00 N ATOM 771 CA ASP A 51 4.609 -5.937 -6.464 1.00 0.00 C ATOM 772 C ASP A 51 4.677 -4.538 -7.087 1.00 0.00 C ATOM 773 O ASP A 51 5.781 -4.045 -7.339 1.00 0.00 O ATOM 774 CB ASP A 51 4.617 -7.060 -7.520 1.00 0.00 C ATOM 775 CG ASP A 51 3.361 -7.255 -8.381 1.00 0.00 C ATOM 776 OD1 ASP A 51 2.451 -6.405 -8.421 1.00 0.00 O ATOM 777 OD2 ASP A 51 3.259 -8.371 -8.953 1.00 0.00 O ATOM 0 H ASP A 51 2.942 -6.919 -5.691 1.00 0.00 H new ATOM 0 HA ASP A 51 5.535 -6.015 -5.894 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.456 -6.880 -8.192 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.817 -8.000 -7.005 1.00 0.00 H new ATOM 782 N SER A 52 3.556 -3.822 -7.202 1.00 0.00 N ATOM 783 CA SER A 52 3.526 -2.440 -7.688 1.00 0.00 C ATOM 784 C SER A 52 4.364 -1.453 -6.860 1.00 0.00 C ATOM 785 O SER A 52 4.723 -0.389 -7.367 1.00 0.00 O ATOM 786 CB SER A 52 2.093 -1.954 -7.784 1.00 0.00 C ATOM 787 OG SER A 52 1.320 -2.831 -8.581 1.00 0.00 O ATOM 0 H SER A 52 2.636 -4.188 -6.958 1.00 0.00 H new ATOM 0 HA SER A 52 3.990 -2.464 -8.674 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.660 -1.884 -6.786 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.072 -0.952 -8.212 1.00 0.00 H new ATOM 0 HG SER A 52 0.398 -2.502 -8.630 1.00 0.00 H new ATOM 793 N LYS A 53 4.694 -1.774 -5.605 1.00 0.00 N ATOM 794 CA LYS A 53 5.506 -0.914 -4.743 1.00 0.00 C ATOM 795 C LYS A 53 7.003 -1.115 -4.971 1.00 0.00 C ATOM 796 O LYS A 53 7.780 -0.211 -4.652 1.00 0.00 O ATOM 797 CB LYS A 53 5.165 -1.193 -3.274 1.00 0.00 C ATOM 798 CG LYS A 53 3.835 -0.528 -2.903 1.00 0.00 C ATOM 799 CD LYS A 53 3.512 -0.763 -1.427 1.00 0.00 C ATOM 800 CE LYS A 53 2.001 -0.692 -1.176 1.00 0.00 C ATOM 801 NZ LYS A 53 1.331 -2.001 -1.329 1.00 0.00 N ATOM 0 H LYS A 53 4.403 -2.643 -5.158 1.00 0.00 H new ATOM 0 HA LYS A 53 5.273 0.121 -4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.102 -2.268 -3.106 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.960 -0.816 -2.631 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.888 0.542 -3.104 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.035 -0.930 -3.525 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.890 -1.738 -1.119 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.021 -0.017 -0.817 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.822 -0.313 -0.170 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.556 0.022 -1.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.313 -1.893 -1.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.475 -2.354 -2.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.733 -2.678 -0.650 1.00 0.00 H new ATOM 815 N VAL A 54 7.422 -2.283 -5.448 1.00 0.00 N ATOM 816 CA VAL A 54 8.824 -2.679 -5.446 1.00 0.00 C ATOM 817 C VAL A 54 9.501 -2.089 -6.687 1.00 0.00 C ATOM 818 O VAL A 54 8.856 -1.871 -7.714 1.00 0.00 O ATOM 819 CB VAL A 54 8.904 -4.219 -5.393 1.00 0.00 C ATOM 820 CG1 VAL A 54 10.324 -4.738 -5.121 1.00 0.00 C ATOM 821 CG2 VAL A 54 8.022 -4.789 -4.270 1.00 0.00 C ATOM 0 H VAL A 54 6.796 -2.982 -5.848 1.00 0.00 H new ATOM 0 HA VAL A 54 9.351 -2.296 -4.572 1.00 0.00 H new ATOM 0 HB VAL A 54 8.567 -4.545 -6.377 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.314 -5.828 -5.096 1.00 0.00 H new ATOM 0 HG12 VAL A 54 10.993 -4.399 -5.912 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.674 -4.356 -4.162 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.102 -5.876 -4.261 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.354 -4.393 -3.310 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.984 -4.503 -4.442 1.00 0.00 H new ATOM 831 N LYS A 55 10.812 -1.852 -6.615 1.00 0.00 N ATOM 832 CA LYS A 55 11.648 -1.610 -7.790 1.00 0.00 C ATOM 833 C LYS A 55 11.945 -2.948 -8.481 1.00 0.00 C ATOM 834 O LYS A 55 11.264 -3.957 -8.265 1.00 0.00 O ATOM 835 CB LYS A 55 12.929 -0.874 -7.354 1.00 0.00 C ATOM 836 CG LYS A 55 12.667 0.490 -6.701 1.00 0.00 C ATOM 837 CD LYS A 55 12.248 1.594 -7.682 1.00 0.00 C ATOM 838 CE LYS A 55 13.413 2.131 -8.521 1.00 0.00 C ATOM 839 NZ LYS A 55 14.307 3.028 -7.760 1.00 0.00 N ATOM 0 H LYS A 55 11.326 -1.823 -5.734 1.00 0.00 H new ATOM 0 HA LYS A 55 11.134 -0.976 -8.512 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.478 -1.503 -6.653 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.570 -0.733 -8.224 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.887 0.375 -5.948 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.569 0.808 -6.179 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.478 1.206 -8.348 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.801 2.417 -7.124 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.992 1.292 -8.907 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.016 2.668 -9.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.075 3.359 -8.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.765 3.845 -7.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.711 2.512 -6.953 1.00 0.00 H new ATOM 853 N GLY A 56 12.940 -2.976 -9.361 1.00 0.00 N ATOM 854 CA GLY A 56 13.376 -4.187 -10.023 1.00 0.00 C ATOM 855 C GLY A 56 14.184 -5.039 -9.051 1.00 0.00 C ATOM 856 O GLY A 56 15.393 -4.838 -8.925 1.00 0.00 O ATOM 0 H GLY A 56 13.468 -2.147 -9.633 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.513 -4.747 -10.383 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.981 -3.939 -10.895 1.00 0.00 H new ATOM 860 N MET A 57 13.520 -5.938 -8.327 1.00 0.00 N ATOM 861 CA MET A 57 14.132 -6.983 -7.510 1.00 0.00 C ATOM 862 C MET A 57 15.129 -7.778 -8.363 1.00 0.00 C ATOM 863 O MET A 57 14.806 -8.125 -9.506 1.00 0.00 O ATOM 864 CB MET A 57 13.009 -7.865 -6.920 1.00 0.00 C ATOM 865 CG MET A 57 13.557 -9.032 -6.088 1.00 0.00 C ATOM 866 SD MET A 57 12.433 -9.849 -4.916 1.00 0.00 S ATOM 867 CE MET A 57 10.973 -10.154 -5.936 1.00 0.00 C ATOM 0 H MET A 57 12.501 -5.959 -8.292 1.00 0.00 H new ATOM 0 HA MET A 57 14.694 -6.559 -6.678 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.359 -7.252 -6.296 1.00 0.00 H new ATOM 0 HB3 MET A 57 12.395 -8.257 -7.731 1.00 0.00 H new ATOM 0 HG2 MET A 57 13.927 -9.790 -6.779 1.00 0.00 H new ATOM 0 HG3 MET A 57 14.417 -8.666 -5.526 1.00 0.00 H new ATOM 0 HE1 MET A 57 10.553 -11.129 -5.688 1.00 0.00 H new ATOM 0 HE2 MET A 57 10.229 -9.380 -5.747 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.255 -10.137 -6.989 1.00 0.00 H new ATOM 877 N VAL A 58 16.317 -8.059 -7.821 1.00 0.00 N ATOM 878 CA VAL A 58 17.454 -8.664 -8.515 1.00 0.00 C ATOM 879 C VAL A 58 18.131 -9.706 -7.617 1.00 0.00 C ATOM 880 O VAL A 58 18.055 -9.644 -6.390 1.00 0.00 O ATOM 881 CB VAL A 58 18.461 -7.583 -8.969 1.00 0.00 C ATOM 882 CG1 VAL A 58 17.986 -6.857 -10.235 1.00 0.00 C ATOM 883 CG2 VAL A 58 18.803 -6.556 -7.875 1.00 0.00 C ATOM 0 H VAL A 58 16.520 -7.861 -6.841 1.00 0.00 H new ATOM 0 HA VAL A 58 17.086 -9.169 -9.408 1.00 0.00 H new ATOM 0 HB VAL A 58 19.377 -8.130 -9.192 1.00 0.00 H new ATOM 0 HG11 VAL A 58 18.722 -6.105 -10.521 1.00 0.00 H new ATOM 0 HG12 VAL A 58 17.869 -7.577 -11.045 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.029 -6.372 -10.039 1.00 0.00 H new ATOM 0 HG21 VAL A 58 19.515 -5.830 -8.267 1.00 0.00 H new ATOM 0 HG22 VAL A 58 17.894 -6.041 -7.562 1.00 0.00 H new ATOM 0 HG23 VAL A 58 19.242 -7.069 -7.019 1.00 0.00 H new ATOM 893 N PHE A 59 18.772 -10.698 -8.236 1.00 0.00 N ATOM 894 CA PHE A 59 19.304 -11.874 -7.558 1.00 0.00 C ATOM 895 C PHE A 59 20.590 -11.593 -6.779 1.00 0.00 C ATOM 896 O PHE A 59 21.283 -10.607 -7.044 1.00 0.00 O ATOM 897 CB PHE A 59 19.512 -12.972 -8.602 1.00 0.00 C ATOM 898 CG PHE A 59 18.312 -13.880 -8.726 1.00 0.00 C ATOM 899 CD1 PHE A 59 18.178 -14.934 -7.809 1.00 0.00 C ATOM 900 CD2 PHE A 59 17.358 -13.718 -9.751 1.00 0.00 C ATOM 901 CE1 PHE A 59 17.121 -15.840 -7.941 1.00 0.00 C ATOM 902 CE2 PHE A 59 16.288 -14.622 -9.862 1.00 0.00 C ATOM 903 CZ PHE A 59 16.166 -15.685 -8.957 1.00 0.00 C ATOM 0 H PHE A 59 18.938 -10.704 -9.242 1.00 0.00 H new ATOM 0 HA PHE A 59 18.583 -12.195 -6.806 1.00 0.00 H new ATOM 0 HB2 PHE A 59 19.721 -12.515 -9.569 1.00 0.00 H new ATOM 0 HB3 PHE A 59 20.387 -13.564 -8.334 1.00 0.00 H new ATOM 0 HD1 PHE A 59 18.889 -15.045 -7.004 1.00 0.00 H new ATOM 0 HD2 PHE A 59 17.449 -12.900 -10.450 1.00 0.00 H new ATOM 0 HE1 PHE A 59 17.039 -16.668 -7.253 1.00 0.00 H new ATOM 0 HE2 PHE A 59 15.557 -14.497 -10.647 1.00 0.00 H new ATOM 0 HZ PHE A 59 15.343 -16.380 -9.041 1.00 0.00 H new ATOM 913 N LEU A 60 20.919 -12.503 -5.850 1.00 0.00 N ATOM 914 CA LEU A 60 22.138 -12.461 -5.049 1.00 0.00 C ATOM 915 C LEU A 60 23.083 -13.598 -5.417 1.00 0.00 C ATOM 916 O LEU A 60 22.659 -14.685 -5.829 1.00 0.00 O ATOM 917 CB LEU A 60 21.830 -12.575 -3.544 1.00 0.00 C ATOM 918 CG LEU A 60 21.019 -11.410 -2.960 1.00 0.00 C ATOM 919 CD1 LEU A 60 20.766 -11.638 -1.470 1.00 0.00 C ATOM 920 CD2 LEU A 60 21.744 -10.082 -3.135 1.00 0.00 C ATOM 0 H LEU A 60 20.327 -13.305 -5.635 1.00 0.00 H new ATOM 0 HA LEU A 60 22.608 -11.500 -5.260 1.00 0.00 H new ATOM 0 HB2 LEU A 60 21.284 -13.502 -3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 60 22.772 -12.652 -3.000 1.00 0.00 H new ATOM 0 HG LEU A 60 20.073 -11.369 -3.501 1.00 0.00 H new ATOM 0 HD11 LEU A 60 20.190 -10.805 -1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 60 20.208 -12.565 -1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 60 21.719 -11.707 -0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 60 21.141 -9.280 -2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 60 22.706 -10.123 -2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 60 21.905 -9.892 -4.196 1.00 0.00 H new ATOM 932 N LYS A 61 24.370 -13.365 -5.155 1.00 0.00 N ATOM 933 CA LYS A 61 25.433 -14.350 -5.327 1.00 0.00 C ATOM 934 C LYS A 61 25.114 -15.579 -4.486 1.00 0.00 C ATOM 935 O LYS A 61 24.755 -15.447 -3.311 1.00 0.00 O ATOM 936 CB LYS A 61 26.799 -13.717 -4.991 1.00 0.00 C ATOM 937 CG LYS A 61 27.000 -13.337 -3.509 1.00 0.00 C ATOM 938 CD LYS A 61 27.759 -14.405 -2.699 1.00 0.00 C ATOM 939 CE LYS A 61 27.440 -14.271 -1.205 1.00 0.00 C ATOM 940 NZ LYS A 61 26.156 -14.920 -0.850 1.00 0.00 N ATOM 0 H LYS A 61 24.707 -12.466 -4.810 1.00 0.00 H new ATOM 0 HA LYS A 61 25.494 -14.676 -6.365 1.00 0.00 H new ATOM 0 HB2 LYS A 61 27.586 -14.414 -5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 61 26.926 -12.822 -5.600 1.00 0.00 H new ATOM 0 HG2 LYS A 61 27.546 -12.395 -3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 61 26.026 -13.168 -3.050 1.00 0.00 H new ATOM 0 HD2 LYS A 61 27.483 -15.400 -3.048 1.00 0.00 H new ATOM 0 HD3 LYS A 61 28.832 -14.298 -2.859 1.00 0.00 H new ATOM 0 HE2 LYS A 61 28.245 -14.717 -0.621 1.00 0.00 H new ATOM 0 HE3 LYS A 61 27.399 -13.215 -0.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 25.601 -14.283 -0.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 25.620 -15.127 -1.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 26.344 -15.806 -0.339 1.00 0.00 H new ATOM 954 N GLY A 62 25.248 -16.766 -5.071 1.00 0.00 N ATOM 955 CA GLY A 62 24.968 -18.046 -4.429 1.00 0.00 C ATOM 956 C GLY A 62 23.621 -18.638 -4.844 1.00 0.00 C ATOM 957 O GLY A 62 23.424 -19.838 -4.664 1.00 0.00 O ATOM 0 H GLY A 62 25.564 -16.866 -6.035 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.761 -18.752 -4.676 1.00 0.00 H new ATOM 0 HA3 GLY A 62 24.984 -17.915 -3.347 1.00 0.00 H new ATOM 961 N LYS A 63 22.724 -17.845 -5.456 1.00 0.00 N ATOM 962 CA LYS A 63 21.419 -18.282 -5.977 1.00 0.00 C ATOM 963 C LYS A 63 20.426 -18.703 -4.871 1.00 0.00 C ATOM 964 O LYS A 63 19.361 -19.239 -5.184 1.00 0.00 O ATOM 965 CB LYS A 63 21.628 -19.373 -7.055 1.00 0.00 C ATOM 966 CG LYS A 63 20.600 -19.305 -8.194 1.00 0.00 C ATOM 967 CD LYS A 63 20.824 -20.391 -9.259 1.00 0.00 C ATOM 968 CE LYS A 63 22.115 -20.178 -10.059 1.00 0.00 C ATOM 969 NZ LYS A 63 22.300 -21.205 -11.106 1.00 0.00 N ATOM 0 H LYS A 63 22.894 -16.850 -5.606 1.00 0.00 H new ATOM 0 HA LYS A 63 20.941 -17.423 -6.448 1.00 0.00 H new ATOM 0 HB2 LYS A 63 22.630 -19.274 -7.473 1.00 0.00 H new ATOM 0 HB3 LYS A 63 21.574 -20.355 -6.584 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.597 -19.409 -7.780 1.00 0.00 H new ATOM 0 HG3 LYS A 63 20.650 -18.323 -8.665 1.00 0.00 H new ATOM 0 HD2 LYS A 63 20.858 -21.367 -8.775 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.975 -20.404 -9.943 1.00 0.00 H new ATOM 0 HE2 LYS A 63 22.095 -19.191 -10.521 1.00 0.00 H new ATOM 0 HE3 LYS A 63 22.968 -20.196 -9.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 23.185 -21.021 -11.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 22.345 -22.146 -10.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 21.500 -21.172 -11.770 1.00 0.00 H new ATOM 983 N LEU A 64 20.737 -18.424 -3.600 1.00 0.00 N ATOM 984 CA LEU A 64 19.954 -18.754 -2.405 1.00 0.00 C ATOM 985 C LEU A 64 19.476 -17.456 -1.728 1.00 0.00 C ATOM 986 O LEU A 64 19.299 -17.383 -0.505 1.00 0.00 O ATOM 987 CB LEU A 64 20.778 -19.629 -1.438 1.00 0.00 C ATOM 988 CG LEU A 64 21.335 -20.935 -2.036 1.00 0.00 C ATOM 989 CD1 LEU A 64 22.351 -21.558 -1.083 1.00 0.00 C ATOM 990 CD2 LEU A 64 20.237 -21.955 -2.326 1.00 0.00 C ATOM 0 H LEU A 64 21.598 -17.930 -3.364 1.00 0.00 H new ATOM 0 HA LEU A 64 19.078 -19.333 -2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.613 -19.037 -1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 64 20.153 -19.880 -0.581 1.00 0.00 H new ATOM 0 HG LEU A 64 21.811 -20.672 -2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 64 22.738 -22.480 -1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 64 23.173 -20.861 -0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 64 21.869 -21.779 -0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 64 20.681 -22.858 -2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 64 19.717 -22.203 -1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 64 19.528 -21.534 -3.039 1.00 0.00 H new ATOM 1002 N GLY A 65 19.261 -16.399 -2.513 1.00 0.00 N ATOM 1003 CA GLY A 65 18.705 -15.150 -2.026 1.00 0.00 C ATOM 1004 C GLY A 65 18.459 -14.173 -3.167 1.00 0.00 C ATOM 1005 O GLY A 65 18.863 -14.403 -4.313 1.00 0.00 O ATOM 0 H GLY A 65 19.472 -16.393 -3.511 1.00 0.00 H new ATOM 0 HA2 GLY A 65 17.769 -15.345 -1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 65 19.387 -14.703 -1.302 1.00 0.00 H new ATOM 1009 N VAL A 66 17.799 -13.066 -2.843 1.00 0.00 N ATOM 1010 CA VAL A 66 17.451 -11.987 -3.760 1.00 0.00 C ATOM 1011 C VAL A 66 17.459 -10.694 -2.924 1.00 0.00 C ATOM 1012 O VAL A 66 17.355 -10.758 -1.694 1.00 0.00 O ATOM 1013 CB VAL A 66 16.108 -12.354 -4.440 1.00 0.00 C ATOM 1014 CG1 VAL A 66 14.913 -12.343 -3.481 1.00 0.00 C ATOM 1015 CG2 VAL A 66 15.767 -11.524 -5.673 1.00 0.00 C ATOM 0 H VAL A 66 17.478 -12.889 -1.891 1.00 0.00 H new ATOM 0 HA VAL A 66 18.150 -11.833 -4.582 1.00 0.00 H new ATOM 0 HB VAL A 66 16.285 -13.377 -4.772 1.00 0.00 H new ATOM 0 HG11 VAL A 66 14.007 -12.609 -4.026 1.00 0.00 H new ATOM 0 HG12 VAL A 66 15.081 -13.065 -2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.799 -11.347 -3.053 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.811 -11.853 -6.080 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.701 -10.472 -5.396 1.00 0.00 H new ATOM 0 HG23 VAL A 66 16.545 -11.653 -6.425 1.00 0.00 H new ATOM 1025 N CYS A 67 17.592 -9.526 -3.549 1.00 0.00 N ATOM 1026 CA CYS A 67 17.444 -8.235 -2.888 1.00 0.00 C ATOM 1027 C CYS A 67 16.572 -7.331 -3.749 1.00 0.00 C ATOM 1028 O CYS A 67 16.461 -7.536 -4.962 1.00 0.00 O ATOM 1029 CB CYS A 67 18.814 -7.604 -2.595 1.00 0.00 C ATOM 1030 SG CYS A 67 19.796 -7.344 -4.103 1.00 0.00 S ATOM 0 H CYS A 67 17.809 -9.451 -4.543 1.00 0.00 H new ATOM 0 HA CYS A 67 16.954 -8.373 -1.924 1.00 0.00 H new ATOM 0 HB2 CYS A 67 18.670 -6.649 -2.090 1.00 0.00 H new ATOM 0 HB3 CYS A 67 19.368 -8.247 -1.911 1.00 0.00 H new ATOM 0 HG CYS A 67 20.938 -6.808 -3.790 1.00 0.00 H new ATOM 1036 N PHE A 68 15.977 -6.309 -3.140 1.00 0.00 N ATOM 1037 CA PHE A 68 15.258 -5.283 -3.879 1.00 0.00 C ATOM 1038 C PHE A 68 15.345 -3.955 -3.145 1.00 0.00 C ATOM 1039 O PHE A 68 15.611 -3.921 -1.944 1.00 0.00 O ATOM 1040 CB PHE A 68 13.801 -5.708 -4.117 1.00 0.00 C ATOM 1041 CG PHE A 68 12.983 -5.910 -2.862 1.00 0.00 C ATOM 1042 CD1 PHE A 68 12.518 -4.794 -2.153 1.00 0.00 C ATOM 1043 CD2 PHE A 68 12.704 -7.206 -2.390 1.00 0.00 C ATOM 1044 CE1 PHE A 68 11.857 -4.972 -0.933 1.00 0.00 C ATOM 1045 CE2 PHE A 68 12.025 -7.381 -1.172 1.00 0.00 C ATOM 1046 CZ PHE A 68 11.649 -6.254 -0.424 1.00 0.00 C ATOM 0 H PHE A 68 15.981 -6.172 -2.129 1.00 0.00 H new ATOM 0 HA PHE A 68 15.722 -5.156 -4.857 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.314 -4.952 -4.733 1.00 0.00 H new ATOM 0 HB3 PHE A 68 13.797 -6.636 -4.689 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.669 -3.800 -2.547 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.012 -8.067 -2.964 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.506 -4.112 -0.382 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.794 -8.374 -0.815 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.197 -6.380 0.549 1.00 0.00 H new ATOM 1056 N ASP A 69 15.062 -2.887 -3.877 1.00 0.00 N ATOM 1057 CA ASP A 69 15.104 -1.497 -3.460 1.00 0.00 C ATOM 1058 C ASP A 69 13.651 -1.063 -3.249 1.00 0.00 C ATOM 1059 O ASP A 69 12.787 -1.371 -4.078 1.00 0.00 O ATOM 1060 CB ASP A 69 15.757 -0.650 -4.567 1.00 0.00 C ATOM 1061 CG ASP A 69 17.113 -1.163 -5.066 1.00 0.00 C ATOM 1062 OD1 ASP A 69 18.154 -0.942 -4.411 1.00 0.00 O ATOM 1063 OD2 ASP A 69 17.177 -1.764 -6.169 1.00 0.00 O ATOM 0 H ASP A 69 14.776 -2.979 -4.852 1.00 0.00 H new ATOM 0 HA ASP A 69 15.686 -1.367 -2.547 1.00 0.00 H new ATOM 0 HB2 ASP A 69 15.072 -0.597 -5.414 1.00 0.00 H new ATOM 0 HB3 ASP A 69 15.885 0.367 -4.197 1.00 0.00 H new ATOM 1068 N VAL A 70 13.350 -0.370 -2.150 1.00 0.00 N ATOM 1069 CA VAL A 70 12.004 0.129 -1.847 1.00 0.00 C ATOM 1070 C VAL A 70 12.084 1.506 -1.180 1.00 0.00 C ATOM 1071 O VAL A 70 13.115 1.848 -0.599 1.00 0.00 O ATOM 1072 CB VAL A 70 11.241 -0.856 -0.930 1.00 0.00 C ATOM 1073 CG1 VAL A 70 10.373 -1.825 -1.746 1.00 0.00 C ATOM 1074 CG2 VAL A 70 12.177 -1.611 0.020 1.00 0.00 C ATOM 0 H VAL A 70 14.040 -0.136 -1.436 1.00 0.00 H new ATOM 0 HA VAL A 70 11.459 0.218 -2.787 1.00 0.00 H new ATOM 0 HB VAL A 70 10.577 -0.256 -0.308 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.851 -2.503 -1.071 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.645 -1.260 -2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 70 11.007 -2.401 -2.420 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.594 -2.290 0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.901 -2.183 -0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.703 -0.898 0.655 1.00 0.00 H new ATOM 1084 N PRO A 71 11.001 2.301 -1.218 1.00 0.00 N ATOM 1085 CA PRO A 71 10.951 3.573 -0.518 1.00 0.00 C ATOM 1086 C PRO A 71 10.970 3.329 0.979 1.00 0.00 C ATOM 1087 O PRO A 71 10.315 2.404 1.455 1.00 0.00 O ATOM 1088 CB PRO A 71 9.635 4.215 -0.931 1.00 0.00 C ATOM 1089 CG PRO A 71 8.747 3.026 -1.273 1.00 0.00 C ATOM 1090 CD PRO A 71 9.731 2.030 -1.878 1.00 0.00 C ATOM 0 HA PRO A 71 11.801 4.211 -0.761 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.211 4.813 -0.125 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.764 4.878 -1.786 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.255 2.621 -0.389 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.962 3.298 -1.978 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.408 1.003 -1.705 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.812 2.162 -2.957 1.00 0.00 H new ATOM 1098 N THR A 72 11.607 4.208 1.741 1.00 0.00 N ATOM 1099 CA THR A 72 11.638 4.159 3.194 1.00 0.00 C ATOM 1100 C THR A 72 10.213 4.107 3.779 1.00 0.00 C ATOM 1101 O THR A 72 9.979 3.409 4.763 1.00 0.00 O ATOM 1102 CB THR A 72 12.459 5.369 3.666 1.00 0.00 C ATOM 1103 OG1 THR A 72 13.702 5.428 2.998 1.00 0.00 O ATOM 1104 CG2 THR A 72 12.814 5.315 5.136 1.00 0.00 C ATOM 0 H THR A 72 12.129 4.994 1.354 1.00 0.00 H new ATOM 0 HA THR A 72 12.114 3.248 3.556 1.00 0.00 H new ATOM 0 HB THR A 72 11.821 6.228 3.456 1.00 0.00 H new ATOM 0 HG1 THR A 72 13.947 6.364 2.845 1.00 0.00 H new ATOM 0 HG21 THR A 72 13.393 6.199 5.403 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.901 5.287 5.730 1.00 0.00 H new ATOM 0 HG23 THR A 72 13.404 4.421 5.335 1.00 0.00 H new ATOM 1112 N ALA A 73 9.244 4.764 3.132 1.00 0.00 N ATOM 1113 CA ALA A 73 7.830 4.741 3.481 1.00 0.00 C ATOM 1114 C ALA A 73 7.090 3.448 3.106 1.00 0.00 C ATOM 1115 O ALA A 73 5.897 3.353 3.399 1.00 0.00 O ATOM 1116 CB ALA A 73 7.147 5.947 2.842 1.00 0.00 C ATOM 0 H ALA A 73 9.437 5.348 2.319 1.00 0.00 H new ATOM 0 HA ALA A 73 7.780 4.784 4.569 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.087 5.942 3.096 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.605 6.864 3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.261 5.898 1.759 1.00 0.00 H new ATOM 1122 N SER A 74 7.750 2.456 2.501 1.00 0.00 N ATOM 1123 CA SER A 74 7.261 1.078 2.490 1.00 0.00 C ATOM 1124 C SER A 74 8.199 0.095 3.208 1.00 0.00 C ATOM 1125 O SER A 74 7.747 -1.006 3.516 1.00 0.00 O ATOM 1126 CB SER A 74 7.026 0.623 1.051 1.00 0.00 C ATOM 1127 OG SER A 74 6.206 -0.527 0.988 1.00 0.00 O ATOM 0 H SER A 74 8.633 2.586 2.008 1.00 0.00 H new ATOM 0 HA SER A 74 6.323 1.072 3.045 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.561 1.431 0.486 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.984 0.412 0.576 1.00 0.00 H new ATOM 0 HG SER A 74 6.343 -1.071 1.791 1.00 0.00 H new ATOM 1133 N VAL A 75 9.472 0.434 3.447 1.00 0.00 N ATOM 1134 CA VAL A 75 10.470 -0.449 4.054 1.00 0.00 C ATOM 1135 C VAL A 75 9.968 -0.968 5.395 1.00 0.00 C ATOM 1136 O VAL A 75 9.822 -2.179 5.576 1.00 0.00 O ATOM 1137 CB VAL A 75 11.810 0.305 4.192 1.00 0.00 C ATOM 1138 CG1 VAL A 75 12.825 -0.381 5.118 1.00 0.00 C ATOM 1139 CG2 VAL A 75 12.463 0.450 2.818 1.00 0.00 C ATOM 0 H VAL A 75 9.844 1.355 3.216 1.00 0.00 H new ATOM 0 HA VAL A 75 10.635 -1.315 3.413 1.00 0.00 H new ATOM 0 HB VAL A 75 11.557 1.269 4.634 1.00 0.00 H new ATOM 0 HG11 VAL A 75 13.738 0.212 5.160 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.403 -0.469 6.119 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.055 -1.374 4.733 1.00 0.00 H new ATOM 0 HG21 VAL A 75 13.409 0.983 2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.646 -0.538 2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.800 1.009 2.157 1.00 0.00 H new ATOM 1149 N THR A 76 9.717 -0.061 6.338 1.00 0.00 N ATOM 1150 CA THR A 76 9.375 -0.453 7.691 1.00 0.00 C ATOM 1151 C THR A 76 8.003 -1.124 7.703 1.00 0.00 C ATOM 1152 O THR A 76 7.782 -2.062 8.462 1.00 0.00 O ATOM 1153 CB THR A 76 9.557 0.752 8.632 1.00 0.00 C ATOM 1154 OG1 THR A 76 9.762 0.336 9.962 1.00 0.00 O ATOM 1155 CG2 THR A 76 8.512 1.870 8.606 1.00 0.00 C ATOM 0 H THR A 76 9.746 0.947 6.184 1.00 0.00 H new ATOM 0 HA THR A 76 10.050 -1.215 8.081 1.00 0.00 H new ATOM 0 HB THR A 76 10.443 1.222 8.205 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.876 1.122 10.537 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.787 2.641 9.325 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.469 2.304 7.607 1.00 0.00 H new ATOM 0 HG23 THR A 76 7.536 1.462 8.867 1.00 0.00 H new ATOM 1163 N GLU A 77 7.140 -0.750 6.759 1.00 0.00 N ATOM 1164 CA GLU A 77 5.848 -1.381 6.534 1.00 0.00 C ATOM 1165 C GLU A 77 6.027 -2.871 6.272 1.00 0.00 C ATOM 1166 O GLU A 77 5.403 -3.698 6.925 1.00 0.00 O ATOM 1167 CB GLU A 77 5.112 -0.703 5.371 1.00 0.00 C ATOM 1168 CG GLU A 77 3.869 0.046 5.840 1.00 0.00 C ATOM 1169 CD GLU A 77 4.191 1.188 6.815 1.00 0.00 C ATOM 1170 OE1 GLU A 77 5.198 1.904 6.606 1.00 0.00 O ATOM 1171 OE2 GLU A 77 3.393 1.436 7.746 1.00 0.00 O ATOM 0 H GLU A 77 7.328 0.019 6.116 1.00 0.00 H new ATOM 0 HA GLU A 77 5.240 -1.262 7.431 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.787 -0.008 4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.826 -1.455 4.635 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.347 0.451 4.973 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.189 -0.656 6.322 1.00 0.00 H new ATOM 1178 N ILE A 78 6.882 -3.228 5.316 1.00 0.00 N ATOM 1179 CA ILE A 78 7.148 -4.618 4.957 1.00 0.00 C ATOM 1180 C ILE A 78 7.749 -5.334 6.164 1.00 0.00 C ATOM 1181 O ILE A 78 7.385 -6.473 6.452 1.00 0.00 O ATOM 1182 CB ILE A 78 8.094 -4.659 3.743 1.00 0.00 C ATOM 1183 CG1 ILE A 78 7.454 -3.997 2.502 1.00 0.00 C ATOM 1184 CG2 ILE A 78 8.484 -6.101 3.396 1.00 0.00 C ATOM 1185 CD1 ILE A 78 8.533 -3.355 1.619 1.00 0.00 C ATOM 0 H ILE A 78 7.414 -2.555 4.765 1.00 0.00 H new ATOM 0 HA ILE A 78 6.225 -5.128 4.680 1.00 0.00 H new ATOM 0 HB ILE A 78 8.987 -4.099 4.021 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.902 -4.742 1.929 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.735 -3.240 2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.152 -6.100 2.535 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.990 -6.556 4.248 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.587 -6.673 3.158 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.065 -2.894 0.750 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.066 -2.595 2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.236 -4.120 1.289 1.00 0.00 H new ATOM 1197 N GLN A 79 8.679 -4.683 6.861 1.00 0.00 N ATOM 1198 CA GLN A 79 9.361 -5.268 8.001 1.00 0.00 C ATOM 1199 C GLN A 79 8.363 -5.596 9.120 1.00 0.00 C ATOM 1200 O GLN A 79 8.455 -6.681 9.694 1.00 0.00 O ATOM 1201 CB GLN A 79 10.479 -4.332 8.468 1.00 0.00 C ATOM 1202 CG GLN A 79 11.612 -4.192 7.442 1.00 0.00 C ATOM 1203 CD GLN A 79 12.675 -5.266 7.629 1.00 0.00 C ATOM 1204 OE1 GLN A 79 12.698 -6.278 6.788 1.00 0.00 O flip ATOM 1205 NE2 GLN A 79 13.501 -5.217 8.530 1.00 0.00 N flip ATOM 0 H GLN A 79 8.978 -3.732 6.645 1.00 0.00 H new ATOM 0 HA GLN A 79 9.821 -6.212 7.708 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.059 -3.347 8.674 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.890 -4.705 9.406 1.00 0.00 H new ATOM 0 HG2 GLN A 79 11.201 -4.258 6.435 1.00 0.00 H new ATOM 0 HG3 GLN A 79 12.069 -3.207 7.536 1.00 0.00 H new ATOM 0 HE21 GLN A 79 13.493 -4.437 9.188 1.00 0.00 H new ATOM 0 HE22 GLN A 79 14.198 -5.956 8.624 1.00 0.00 H new ATOM 1214 N GLU A 80 7.393 -4.721 9.400 1.00 0.00 N ATOM 1215 CA GLU A 80 6.303 -4.941 10.350 1.00 0.00 C ATOM 1216 C GLU A 80 5.208 -5.871 9.799 1.00 0.00 C ATOM 1217 O GLU A 80 4.261 -6.193 10.516 1.00 0.00 O ATOM 1218 CB GLU A 80 5.678 -3.581 10.732 1.00 0.00 C ATOM 1219 CG GLU A 80 6.193 -3.029 12.074 1.00 0.00 C ATOM 1220 CD GLU A 80 5.403 -1.805 12.567 1.00 0.00 C ATOM 1221 OE1 GLU A 80 4.760 -1.099 11.743 1.00 0.00 O ATOM 1222 OE2 GLU A 80 5.425 -1.518 13.786 1.00 0.00 O ATOM 0 H GLU A 80 7.345 -3.805 8.953 1.00 0.00 H new ATOM 0 HA GLU A 80 6.730 -5.432 11.225 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.890 -2.858 9.944 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.595 -3.689 10.783 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.141 -3.815 12.827 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.243 -2.758 11.969 1.00 0.00 H new ATOM 1229 N LYS A 81 5.275 -6.310 8.542 1.00 0.00 N ATOM 1230 CA LYS A 81 4.235 -7.127 7.911 1.00 0.00 C ATOM 1231 C LYS A 81 4.724 -8.522 7.550 1.00 0.00 C ATOM 1232 O LYS A 81 3.901 -9.336 7.137 1.00 0.00 O ATOM 1233 CB LYS A 81 3.706 -6.406 6.668 1.00 0.00 C ATOM 1234 CG LYS A 81 2.794 -5.211 6.972 1.00 0.00 C ATOM 1235 CD LYS A 81 1.400 -5.656 7.418 1.00 0.00 C ATOM 1236 CE LYS A 81 0.356 -4.710 6.824 1.00 0.00 C ATOM 1237 NZ LYS A 81 -1.015 -5.102 7.178 1.00 0.00 N ATOM 0 H LYS A 81 6.061 -6.107 7.925 1.00 0.00 H new ATOM 0 HA LYS A 81 3.431 -7.258 8.636 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.553 -6.060 6.075 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.157 -7.120 6.054 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.246 -4.598 7.752 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.708 -4.585 6.084 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.210 -6.678 7.091 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.335 -5.652 8.506 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.545 -3.696 7.177 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.459 -4.694 5.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.688 -4.432 6.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.206 -6.059 6.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.123 -5.092 8.212 1.00 0.00 H new ATOM 1251 N TRP A 82 6.014 -8.827 7.663 1.00 0.00 N ATOM 1252 CA TRP A 82 6.483 -10.181 7.518 1.00 0.00 C ATOM 1253 C TRP A 82 6.094 -10.985 8.769 1.00 0.00 C ATOM 1254 O TRP A 82 5.782 -10.416 9.817 1.00 0.00 O ATOM 1255 CB TRP A 82 7.994 -10.115 7.307 1.00 0.00 C ATOM 1256 CG TRP A 82 8.601 -11.445 7.034 1.00 0.00 C ATOM 1257 CD1 TRP A 82 9.279 -12.180 7.936 1.00 0.00 C ATOM 1258 CD2 TRP A 82 8.522 -12.251 5.825 1.00 0.00 C ATOM 1259 NE1 TRP A 82 9.680 -13.366 7.355 1.00 0.00 N ATOM 1260 CE2 TRP A 82 9.249 -13.455 6.047 1.00 0.00 C ATOM 1261 CE3 TRP A 82 7.932 -12.071 4.556 1.00 0.00 C ATOM 1262 CZ2 TRP A 82 9.425 -14.414 5.040 1.00 0.00 C ATOM 1263 CZ3 TRP A 82 8.091 -13.036 3.542 1.00 0.00 C ATOM 1264 CH2 TRP A 82 8.859 -14.189 3.766 1.00 0.00 C ATOM 0 H TRP A 82 6.747 -8.144 7.855 1.00 0.00 H new ATOM 0 HA TRP A 82 6.031 -10.687 6.665 1.00 0.00 H new ATOM 0 HB2 TRP A 82 8.210 -9.445 6.475 1.00 0.00 H new ATOM 0 HB3 TRP A 82 8.461 -9.684 8.193 1.00 0.00 H new ATOM 0 HD1 TRP A 82 9.478 -11.887 8.956 1.00 0.00 H new ATOM 0 HE1 TRP A 82 10.225 -14.085 7.831 1.00 0.00 H new ATOM 0 HE3 TRP A 82 7.351 -11.182 4.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 9.987 -15.315 5.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 7.617 -12.887 2.583 1.00 0.00 H new ATOM 0 HH2 TRP A 82 9.016 -14.900 2.969 1.00 0.00 H new ATOM 1275 N HIS A 83 6.195 -12.312 8.687 1.00 0.00 N ATOM 1276 CA HIS A 83 6.252 -13.184 9.843 1.00 0.00 C ATOM 1277 C HIS A 83 7.245 -14.301 9.536 1.00 0.00 C ATOM 1278 O HIS A 83 7.299 -14.773 8.399 1.00 0.00 O ATOM 1279 CB HIS A 83 4.860 -13.726 10.171 1.00 0.00 C ATOM 1280 CG HIS A 83 4.822 -14.292 11.561 1.00 0.00 C ATOM 1281 ND1 HIS A 83 4.773 -15.619 11.913 1.00 0.00 N ATOM 1282 CD2 HIS A 83 4.951 -13.562 12.706 1.00 0.00 C ATOM 1283 CE1 HIS A 83 4.877 -15.689 13.250 1.00 0.00 C ATOM 1284 NE2 HIS A 83 4.993 -14.457 13.783 1.00 0.00 N ATOM 0 H HIS A 83 6.240 -12.811 7.799 1.00 0.00 H new ATOM 0 HA HIS A 83 6.588 -12.639 10.725 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.123 -12.928 10.078 1.00 0.00 H new ATOM 0 HB3 HIS A 83 4.587 -14.498 9.452 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.010 -12.486 12.771 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.869 -16.607 13.820 1.00 0.00 H new ATOM 0 HE2 HIS A 83 5.091 -14.223 14.771 1.00 0.00 H new ATOM 1292 N ASP A 84 8.068 -14.684 10.515 1.00 0.00 N ATOM 1293 CA ASP A 84 9.111 -15.689 10.312 1.00 0.00 C ATOM 1294 C ASP A 84 8.514 -17.040 9.938 1.00 0.00 C ATOM 1295 O ASP A 84 7.453 -17.425 10.434 1.00 0.00 O ATOM 1296 CB ASP A 84 10.036 -15.826 11.532 1.00 0.00 C ATOM 1297 CG ASP A 84 9.349 -16.425 12.763 1.00 0.00 C ATOM 1298 OD1 ASP A 84 8.624 -15.688 13.471 1.00 0.00 O ATOM 1299 OD2 ASP A 84 9.571 -17.627 13.050 1.00 0.00 O ATOM 0 H ASP A 84 8.030 -14.309 11.463 1.00 0.00 H new ATOM 0 HA ASP A 84 9.721 -15.339 9.479 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.888 -16.451 11.263 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.431 -14.843 11.790 1.00 0.00 H new ATOM 1304 N SER A 85 9.222 -17.758 9.068 1.00 0.00 N ATOM 1305 CA SER A 85 8.714 -18.929 8.376 1.00 0.00 C ATOM 1306 C SER A 85 9.671 -20.100 8.600 1.00 0.00 C ATOM 1307 O SER A 85 10.695 -19.967 9.280 1.00 0.00 O ATOM 1308 CB SER A 85 8.546 -18.539 6.900 1.00 0.00 C ATOM 1309 OG SER A 85 7.803 -19.500 6.189 1.00 0.00 O ATOM 0 H SER A 85 10.186 -17.532 8.823 1.00 0.00 H new ATOM 0 HA SER A 85 7.746 -19.258 8.754 1.00 0.00 H new ATOM 0 HB2 SER A 85 8.048 -17.572 6.834 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.527 -18.424 6.440 1.00 0.00 H new ATOM 0 HG SER A 85 7.714 -19.219 5.254 1.00 0.00 H new ATOM 1315 N ARG A 86 9.367 -21.271 8.036 1.00 0.00 N ATOM 1316 CA ARG A 86 10.307 -22.392 8.064 1.00 0.00 C ATOM 1317 C ARG A 86 11.482 -22.155 7.135 1.00 0.00 C ATOM 1318 O ARG A 86 12.615 -22.508 7.485 1.00 0.00 O ATOM 1319 CB ARG A 86 9.604 -23.709 7.722 1.00 0.00 C ATOM 1320 CG ARG A 86 9.029 -24.336 9.000 1.00 0.00 C ATOM 1321 CD ARG A 86 8.035 -25.455 8.691 1.00 0.00 C ATOM 1322 NE ARG A 86 8.653 -26.499 7.858 1.00 0.00 N ATOM 1323 CZ ARG A 86 8.016 -27.231 6.943 1.00 0.00 C ATOM 1324 NH1 ARG A 86 6.690 -27.216 6.863 1.00 0.00 N ATOM 1325 NH2 ARG A 86 8.719 -27.990 6.103 1.00 0.00 N ATOM 0 H ARG A 86 8.487 -21.466 7.559 1.00 0.00 H new ATOM 0 HA ARG A 86 10.695 -22.466 9.080 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.805 -23.530 7.002 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.308 -24.397 7.253 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.843 -24.732 9.608 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.535 -23.565 9.592 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.676 -25.894 9.622 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.167 -25.042 8.177 1.00 0.00 H new ATOM 0 HE ARG A 86 9.648 -26.677 7.991 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.147 -26.640 7.506 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.215 -27.781 6.159 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.737 -28.008 6.163 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.239 -28.553 5.401 1.00 0.00 H new ATOM 1339 N ARG A 87 11.212 -21.616 5.946 1.00 0.00 N ATOM 1340 CA ARG A 87 12.133 -21.689 4.817 1.00 0.00 C ATOM 1341 C ARG A 87 12.297 -20.358 4.090 1.00 0.00 C ATOM 1342 O ARG A 87 12.879 -20.319 3.010 1.00 0.00 O ATOM 1343 CB ARG A 87 11.686 -22.816 3.870 1.00 0.00 C ATOM 1344 CG ARG A 87 12.888 -23.372 3.086 1.00 0.00 C ATOM 1345 CD ARG A 87 12.688 -23.290 1.577 1.00 0.00 C ATOM 1346 NE ARG A 87 11.735 -24.251 1.024 1.00 0.00 N ATOM 1347 CZ ARG A 87 11.825 -25.576 0.929 1.00 0.00 C ATOM 1348 NH1 ARG A 87 12.714 -26.300 1.598 1.00 0.00 N ATOM 1349 NH2 ARG A 87 10.995 -26.179 0.100 1.00 0.00 N ATOM 0 H ARG A 87 10.347 -21.116 5.741 1.00 0.00 H new ATOM 0 HA ARG A 87 13.125 -21.920 5.205 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.217 -23.616 4.443 1.00 0.00 H new ATOM 0 HB3 ARG A 87 10.935 -22.439 3.176 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.785 -22.818 3.361 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.055 -24.411 3.371 1.00 0.00 H new ATOM 0 HD2 ARG A 87 12.353 -22.284 1.325 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.652 -23.437 1.090 1.00 0.00 H new ATOM 0 HE ARG A 87 10.874 -23.847 0.657 1.00 0.00 H new ATOM 0 HH11 ARG A 87 13.376 -25.843 2.225 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.735 -27.313 1.485 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.321 -25.631 -0.435 1.00 0.00 H new ATOM 0 HH22 ARG A 87 11.027 -27.193 -0.006 1.00 0.00 H new ATOM 1363 N TRP A 88 11.794 -19.271 4.656 1.00 0.00 N ATOM 1364 CA TRP A 88 12.125 -17.925 4.237 1.00 0.00 C ATOM 1365 C TRP A 88 12.371 -17.160 5.514 1.00 0.00 C ATOM 1366 O TRP A 88 11.727 -17.444 6.524 1.00 0.00 O ATOM 1367 CB TRP A 88 10.969 -17.323 3.443 1.00 0.00 C ATOM 1368 CG TRP A 88 10.735 -18.001 2.138 1.00 0.00 C ATOM 1369 CD1 TRP A 88 10.107 -19.186 1.974 1.00 0.00 C ATOM 1370 CD2 TRP A 88 11.150 -17.574 0.811 1.00 0.00 C ATOM 1371 NE1 TRP A 88 10.083 -19.514 0.638 1.00 0.00 N ATOM 1372 CE2 TRP A 88 10.670 -18.532 -0.128 1.00 0.00 C ATOM 1373 CE3 TRP A 88 11.907 -16.493 0.312 1.00 0.00 C ATOM 1374 CZ2 TRP A 88 10.912 -18.410 -1.497 1.00 0.00 C ATOM 1375 CZ3 TRP A 88 12.189 -16.386 -1.059 1.00 0.00 C ATOM 1376 CH2 TRP A 88 11.679 -17.333 -1.959 1.00 0.00 C ATOM 0 H TRP A 88 11.133 -19.305 5.432 1.00 0.00 H new ATOM 0 HA TRP A 88 12.998 -17.895 3.584 1.00 0.00 H new ATOM 0 HB2 TRP A 88 10.059 -17.377 4.041 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.171 -16.267 3.265 1.00 0.00 H new ATOM 0 HD1 TRP A 88 9.688 -19.784 2.770 1.00 0.00 H new ATOM 0 HE1 TRP A 88 9.682 -20.374 0.263 1.00 0.00 H new ATOM 0 HE3 TRP A 88 12.274 -15.739 0.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 10.513 -19.136 -2.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 12.800 -15.573 -1.422 1.00 0.00 H new ATOM 0 HH2 TRP A 88 11.879 -17.231 -3.015 1.00 0.00 H new ATOM 1387 N GLN A 89 13.296 -16.213 5.489 1.00 0.00 N ATOM 1388 CA GLN A 89 13.664 -15.421 6.649 1.00 0.00 C ATOM 1389 C GLN A 89 14.153 -14.068 6.143 1.00 0.00 C ATOM 1390 O GLN A 89 14.796 -13.985 5.088 1.00 0.00 O ATOM 1391 CB GLN A 89 14.721 -16.202 7.460 1.00 0.00 C ATOM 1392 CG GLN A 89 14.325 -16.287 8.936 1.00 0.00 C ATOM 1393 CD GLN A 89 12.969 -16.945 9.172 1.00 0.00 C ATOM 1394 OE1 GLN A 89 11.948 -16.267 9.182 1.00 0.00 O ATOM 1395 NE2 GLN A 89 12.909 -18.256 9.339 1.00 0.00 N ATOM 0 H GLN A 89 13.820 -15.970 4.648 1.00 0.00 H new ATOM 0 HA GLN A 89 12.827 -15.238 7.323 1.00 0.00 H new ATOM 0 HB2 GLN A 89 14.830 -17.206 7.050 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.691 -15.713 7.367 1.00 0.00 H new ATOM 0 HG2 GLN A 89 15.089 -16.846 9.476 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.309 -15.282 9.357 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.765 -18.811 9.329 1.00 0.00 H new ATOM 0 HE22 GLN A 89 12.007 -18.712 9.478 1.00 0.00 H new ATOM 1404 N LEU A 90 13.730 -13.002 6.812 1.00 0.00 N ATOM 1405 CA LEU A 90 13.725 -11.653 6.253 1.00 0.00 C ATOM 1406 C LEU A 90 14.708 -10.725 6.920 1.00 0.00 C ATOM 1407 O LEU A 90 15.052 -10.925 8.085 1.00 0.00 O ATOM 1408 CB LEU A 90 12.318 -11.071 6.388 1.00 0.00 C ATOM 1409 CG LEU A 90 11.626 -10.937 5.040 1.00 0.00 C ATOM 1410 CD1 LEU A 90 12.104 -9.728 4.276 1.00 0.00 C ATOM 1411 CD2 LEU A 90 11.716 -12.183 4.135 1.00 0.00 C ATOM 0 H LEU A 90 13.377 -13.049 7.768 1.00 0.00 H new ATOM 0 HA LEU A 90 14.028 -11.736 5.209 1.00 0.00 H new ATOM 0 HB2 LEU A 90 11.722 -11.710 7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.374 -10.093 6.866 1.00 0.00 H new ATOM 0 HG LEU A 90 10.575 -10.818 5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.583 -9.672 3.320 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.898 -8.827 4.854 1.00 0.00 H new ATOM 0 HD13 LEU A 90 13.177 -9.809 4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 90 11.194 -11.991 3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 90 12.762 -12.407 3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.256 -13.033 4.639 1.00 0.00 H new ATOM 1423 N SER A 91 15.079 -9.676 6.182 1.00 0.00 N ATOM 1424 CA SER A 91 16.095 -8.716 6.625 1.00 0.00 C ATOM 1425 C SER A 91 15.965 -7.418 5.836 1.00 0.00 C ATOM 1426 O SER A 91 15.224 -7.353 4.851 1.00 0.00 O ATOM 1427 CB SER A 91 17.513 -9.287 6.422 1.00 0.00 C ATOM 1428 OG SER A 91 17.841 -10.345 7.310 1.00 0.00 O ATOM 0 H SER A 91 14.686 -9.468 5.264 1.00 0.00 H new ATOM 0 HA SER A 91 15.937 -8.522 7.686 1.00 0.00 H new ATOM 0 HB2 SER A 91 17.606 -9.645 5.397 1.00 0.00 H new ATOM 0 HB3 SER A 91 18.239 -8.483 6.547 1.00 0.00 H new ATOM 0 HG SER A 91 18.751 -10.658 7.124 1.00 0.00 H new ATOM 1434 N VAL A 92 16.724 -6.407 6.253 1.00 0.00 N ATOM 1435 CA VAL A 92 16.878 -5.120 5.597 1.00 0.00 C ATOM 1436 C VAL A 92 18.378 -4.928 5.323 1.00 0.00 C ATOM 1437 O VAL A 92 19.213 -5.542 5.999 1.00 0.00 O ATOM 1438 CB VAL A 92 16.225 -4.052 6.502 1.00 0.00 C ATOM 1439 CG1 VAL A 92 17.023 -3.667 7.754 1.00 0.00 C ATOM 1440 CG2 VAL A 92 15.813 -2.816 5.719 1.00 0.00 C ATOM 0 H VAL A 92 17.278 -6.473 7.107 1.00 0.00 H new ATOM 0 HA VAL A 92 16.376 -5.042 4.633 1.00 0.00 H new ATOM 0 HB VAL A 92 15.331 -4.548 6.881 1.00 0.00 H new ATOM 0 HG11 VAL A 92 16.475 -2.912 8.317 1.00 0.00 H new ATOM 0 HG12 VAL A 92 17.169 -4.549 8.378 1.00 0.00 H new ATOM 0 HG13 VAL A 92 17.993 -3.267 7.458 1.00 0.00 H new ATOM 0 HG21 VAL A 92 15.358 -2.092 6.395 1.00 0.00 H new ATOM 0 HG22 VAL A 92 16.691 -2.373 5.250 1.00 0.00 H new ATOM 0 HG23 VAL A 92 15.093 -3.096 4.950 1.00 0.00 H new ATOM 1450 N ALA A 93 18.734 -4.119 4.325 1.00 0.00 N ATOM 1451 CA ALA A 93 20.122 -3.704 4.114 1.00 0.00 C ATOM 1452 C ALA A 93 20.439 -2.530 5.050 1.00 0.00 C ATOM 1453 O ALA A 93 19.534 -1.976 5.675 1.00 0.00 O ATOM 1454 CB ALA A 93 20.342 -3.325 2.652 1.00 0.00 C ATOM 0 H ALA A 93 18.076 -3.736 3.646 1.00 0.00 H new ATOM 0 HA ALA A 93 20.797 -4.528 4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 93 21.378 -3.018 2.508 1.00 0.00 H new ATOM 0 HB2 ALA A 93 20.126 -4.184 2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 93 19.679 -2.502 2.386 1.00 0.00 H new