USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 678 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 68 GLN : amide:sc= 0.483 K(o=0.28,f=-0.24) USER MOD Set 1.2: A 73 CYS SG : rot -120:sc= -0.205 USER MOD Set 2.1: A 41 CYS SG : rot 170:sc= -0.0641 USER MOD Set 2.2: A 90 CYS SG : rot 97:sc= -0.125 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 152:sc= 0.388 USER MOD Single : A 28 ASN : amide:sc= -0.427 X(o=-0.43,f=-0.19) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -166:sc= 0 (180deg=-0.256) USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= 0.521 (180deg=0.425) USER MOD Single : A 55 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.077) USER MOD Single : A 57 THR OG1 : rot -67:sc= 1.96 USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.14 F(o=-0.74,f=-0.14) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.059) USER MOD Single : A 88 TYR OH : rot -27:sc= -0.0469 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 CYS SG : rot 31:sc= -1.93! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 130:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.118 USER MOD Single : A 100 MET CE :methyl -120:sc= -0.178 (180deg=-3.21!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 258 N ILE A 20 -2.992 17.316 -4.108 1.00 0.00 N ATOM 259 CA ILE A 20 -1.942 16.416 -4.568 1.00 0.00 C ATOM 260 C ILE A 20 -2.484 15.409 -5.577 1.00 0.00 C ATOM 261 O ILE A 20 -3.507 14.767 -5.341 1.00 0.00 O ATOM 262 CB ILE A 20 -1.299 15.655 -3.394 1.00 0.00 C ATOM 263 CG1 ILE A 20 -0.723 16.639 -2.373 1.00 0.00 C ATOM 264 CG2 ILE A 20 -0.216 14.715 -3.902 1.00 0.00 C ATOM 265 CD1 ILE A 20 -0.273 15.981 -1.087 1.00 0.00 C ATOM 0 HA ILE A 20 -1.184 17.035 -5.048 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.068 15.060 -2.902 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.123 17.160 -2.820 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.476 17.393 -2.142 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.229 14.184 -3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.654 13.996 -4.594 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.554 15.291 -4.416 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.124 16.738 -0.411 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.121 15.483 -0.617 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.503 15.247 -1.306 1.00 0.00 H new ATOM 277 N LYS A 21 -1.789 15.275 -6.702 1.00 0.00 N ATOM 278 CA LYS A 21 -2.198 14.344 -7.747 1.00 0.00 C ATOM 279 C LYS A 21 -1.198 13.199 -7.876 1.00 0.00 C ATOM 280 O LYS A 21 -0.213 13.135 -7.140 1.00 0.00 O ATOM 281 CB LYS A 21 -2.329 15.074 -9.085 1.00 0.00 C ATOM 282 CG LYS A 21 -3.480 16.064 -9.128 1.00 0.00 C ATOM 283 CD LYS A 21 -3.757 16.538 -10.545 1.00 0.00 C ATOM 284 CE LYS A 21 -2.942 17.776 -10.888 1.00 0.00 C ATOM 285 NZ LYS A 21 -1.926 17.497 -11.940 1.00 0.00 N ATOM 0 H LYS A 21 -0.940 15.799 -6.913 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.167 13.928 -7.471 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.399 15.602 -9.294 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.463 14.339 -9.879 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.376 15.599 -8.717 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.247 16.921 -8.496 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.522 15.740 -11.249 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.819 16.758 -10.655 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.610 18.567 -11.229 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.444 18.143 -9.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.392 18.365 -12.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.273 16.760 -11.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.402 17.171 -12.805 1.00 0.00 H new ATOM 299 N PHE A 22 -1.457 12.297 -8.817 1.00 0.00 N ATOM 300 CA PHE A 22 -0.579 11.155 -9.043 1.00 0.00 C ATOM 301 C PHE A 22 0.087 11.244 -10.413 1.00 0.00 C ATOM 302 O PHE A 22 -0.582 11.411 -11.433 1.00 0.00 O ATOM 303 CB PHE A 22 -1.368 9.849 -8.932 1.00 0.00 C ATOM 304 CG PHE A 22 -1.405 9.288 -7.539 1.00 0.00 C ATOM 305 CD1 PHE A 22 -0.303 8.632 -7.013 1.00 0.00 C ATOM 306 CD2 PHE A 22 -2.540 9.417 -6.755 1.00 0.00 C ATOM 307 CE1 PHE A 22 -0.334 8.115 -5.731 1.00 0.00 C ATOM 308 CE2 PHE A 22 -2.576 8.902 -5.473 1.00 0.00 C ATOM 309 CZ PHE A 22 -1.472 8.249 -4.961 1.00 0.00 C ATOM 0 H PHE A 22 -2.268 12.335 -9.435 1.00 0.00 H new ATOM 0 HA PHE A 22 0.198 11.169 -8.279 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.389 10.020 -9.273 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.928 9.110 -9.601 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.590 8.524 -7.611 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.407 9.926 -7.150 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.531 7.607 -5.332 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.467 9.010 -4.872 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.499 7.844 -3.960 1.00 0.00 H new ATOM 319 N THR A 23 1.412 11.131 -10.429 1.00 0.00 N ATOM 320 CA THR A 23 2.171 11.200 -11.671 1.00 0.00 C ATOM 321 C THR A 23 2.410 9.809 -12.247 1.00 0.00 C ATOM 322 O THR A 23 2.368 9.616 -13.462 1.00 0.00 O ATOM 323 CB THR A 23 3.528 11.898 -11.462 1.00 0.00 C ATOM 324 OG1 THR A 23 4.411 11.042 -10.728 1.00 0.00 O ATOM 325 CG2 THR A 23 3.352 13.213 -10.718 1.00 0.00 C ATOM 0 H THR A 23 1.982 10.991 -9.594 1.00 0.00 H new ATOM 0 HA THR A 23 1.576 11.783 -12.374 1.00 0.00 H new ATOM 0 HB THR A 23 3.958 12.109 -12.441 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.339 11.247 -10.967 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.324 13.687 -10.582 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.703 13.873 -11.294 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.902 13.022 -9.744 1.00 0.00 H new ATOM 333 N GLU A 24 2.660 8.844 -11.368 1.00 0.00 N ATOM 334 CA GLU A 24 2.907 7.471 -11.791 1.00 0.00 C ATOM 335 C GLU A 24 2.198 6.482 -10.869 1.00 0.00 C ATOM 336 O GLU A 24 2.834 5.798 -10.068 1.00 0.00 O ATOM 337 CB GLU A 24 4.409 7.181 -11.809 1.00 0.00 C ATOM 338 CG GLU A 24 5.060 7.431 -13.159 1.00 0.00 C ATOM 339 CD GLU A 24 6.535 7.078 -13.169 1.00 0.00 C ATOM 340 OE1 GLU A 24 7.340 7.872 -12.640 1.00 0.00 O ATOM 341 OE2 GLU A 24 6.884 6.005 -13.707 1.00 0.00 O ATOM 0 H GLU A 24 2.697 8.988 -10.359 1.00 0.00 H new ATOM 0 HA GLU A 24 2.510 7.352 -12.799 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.899 7.801 -11.058 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.574 6.142 -11.522 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.545 6.846 -13.921 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.939 8.480 -13.428 1.00 0.00 H new ATOM 348 N GLY A 25 0.875 6.413 -10.990 1.00 0.00 N ATOM 349 CA GLY A 25 0.101 5.507 -10.162 1.00 0.00 C ATOM 350 C GLY A 25 0.510 4.059 -10.349 1.00 0.00 C ATOM 351 O GLY A 25 1.174 3.715 -11.327 1.00 0.00 O ATOM 0 H GLY A 25 0.326 6.968 -11.646 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.222 5.783 -9.115 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.957 5.616 -10.400 1.00 0.00 H new ATOM 355 N LEU A 26 0.113 3.208 -9.409 1.00 0.00 N ATOM 356 CA LEU A 26 0.443 1.789 -9.473 1.00 0.00 C ATOM 357 C LEU A 26 -0.022 1.181 -10.793 1.00 0.00 C ATOM 358 O LEU A 26 -1.009 1.626 -11.378 1.00 0.00 O ATOM 359 CB LEU A 26 -0.196 1.043 -8.301 1.00 0.00 C ATOM 360 CG LEU A 26 0.174 1.544 -6.904 1.00 0.00 C ATOM 361 CD1 LEU A 26 -0.844 1.067 -5.880 1.00 0.00 C ATOM 362 CD2 LEU A 26 1.573 1.081 -6.525 1.00 0.00 C ATOM 0 H LEU A 26 -0.438 3.476 -8.594 1.00 0.00 H new ATOM 0 HA LEU A 26 1.527 1.690 -9.410 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.279 1.097 -8.409 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.079 -0.009 -8.373 1.00 0.00 H new ATOM 0 HG LEU A 26 0.165 2.634 -6.915 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.565 1.433 -4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.831 1.449 -6.143 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.867 -0.023 -5.870 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.820 1.447 -5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.610 -0.008 -6.531 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.293 1.473 -7.244 1.00 0.00 H new ATOM 374 N ARG A 27 0.695 0.161 -11.254 1.00 0.00 N ATOM 375 CA ARG A 27 0.354 -0.509 -12.503 1.00 0.00 C ATOM 376 C ARG A 27 0.323 -2.023 -12.317 1.00 0.00 C ATOM 377 O ARG A 27 0.932 -2.557 -11.391 1.00 0.00 O ATOM 378 CB ARG A 27 1.360 -0.139 -13.595 1.00 0.00 C ATOM 379 CG ARG A 27 1.307 1.325 -14.000 1.00 0.00 C ATOM 380 CD ARG A 27 2.410 1.669 -14.989 1.00 0.00 C ATOM 381 NE ARG A 27 2.100 2.872 -15.759 1.00 0.00 N ATOM 382 CZ ARG A 27 2.206 4.103 -15.272 1.00 0.00 C ATOM 383 NH1 ARG A 27 2.613 4.294 -14.024 1.00 0.00 N ATOM 384 NH2 ARG A 27 1.906 5.147 -16.034 1.00 0.00 N ATOM 0 H ARG A 27 1.515 -0.219 -10.781 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.639 -0.177 -12.805 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.365 -0.375 -13.246 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.174 -0.757 -14.473 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.336 1.546 -14.444 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.402 1.953 -13.114 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.347 1.814 -14.451 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.560 0.831 -15.670 1.00 0.00 H new ATOM 0 HE ARG A 27 1.785 2.760 -16.723 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.846 3.494 -13.435 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.693 5.241 -13.653 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.594 5.004 -16.994 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.988 6.092 -15.659 1.00 0.00 H new ATOM 398 N ASN A 28 -0.391 -2.708 -13.204 1.00 0.00 N ATOM 399 CA ASN A 28 -0.502 -4.161 -13.138 1.00 0.00 C ATOM 400 C ASN A 28 0.877 -4.811 -13.099 1.00 0.00 C ATOM 401 O ASN A 28 1.602 -4.811 -14.093 1.00 0.00 O ATOM 402 CB ASN A 28 -1.293 -4.688 -14.337 1.00 0.00 C ATOM 403 CG ASN A 28 -2.572 -3.908 -14.574 1.00 0.00 C ATOM 404 OD1 ASN A 28 -2.631 -3.043 -15.449 1.00 0.00 O ATOM 405 ND2 ASN A 28 -3.603 -4.210 -13.794 1.00 0.00 N ATOM 0 H ASN A 28 -0.901 -2.281 -13.977 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.031 -4.418 -12.221 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.670 -4.639 -15.230 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.536 -5.738 -14.175 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.489 -3.718 -13.907 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.509 -4.934 -13.082 1.00 0.00 H new ATOM 412 N GLU A 29 1.232 -5.365 -11.943 1.00 0.00 N ATOM 413 CA GLU A 29 2.525 -6.018 -11.775 1.00 0.00 C ATOM 414 C GLU A 29 2.368 -7.536 -11.747 1.00 0.00 C ATOM 415 O GLU A 29 1.333 -8.055 -11.329 1.00 0.00 O ATOM 416 CB GLU A 29 3.200 -5.540 -10.488 1.00 0.00 C ATOM 417 CG GLU A 29 4.465 -4.734 -10.728 1.00 0.00 C ATOM 418 CD GLU A 29 4.221 -3.503 -11.579 1.00 0.00 C ATOM 419 OE1 GLU A 29 4.251 -3.625 -12.821 1.00 0.00 O ATOM 420 OE2 GLU A 29 3.999 -2.418 -11.002 1.00 0.00 O ATOM 0 H GLU A 29 0.643 -5.374 -11.110 1.00 0.00 H new ATOM 0 HA GLU A 29 3.152 -5.750 -12.626 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.494 -4.933 -9.921 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.442 -6.406 -9.871 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.885 -4.430 -9.769 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.207 -5.366 -11.215 1.00 0.00 H new ATOM 427 N GLU A 30 3.402 -8.241 -12.194 1.00 0.00 N ATOM 428 CA GLU A 30 3.378 -9.698 -12.220 1.00 0.00 C ATOM 429 C GLU A 30 4.660 -10.275 -11.625 1.00 0.00 C ATOM 430 O GLU A 30 5.761 -9.835 -11.953 1.00 0.00 O ATOM 431 CB GLU A 30 3.198 -10.201 -13.654 1.00 0.00 C ATOM 432 CG GLU A 30 3.226 -11.716 -13.776 1.00 0.00 C ATOM 433 CD GLU A 30 3.284 -12.184 -15.217 1.00 0.00 C ATOM 434 OE1 GLU A 30 4.387 -12.172 -15.802 1.00 0.00 O ATOM 435 OE2 GLU A 30 2.225 -12.563 -15.760 1.00 0.00 O ATOM 0 H GLU A 30 4.266 -7.827 -12.543 1.00 0.00 H new ATOM 0 HA GLU A 30 2.535 -10.033 -11.616 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.250 -9.831 -14.043 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.985 -9.780 -14.279 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.090 -12.104 -13.237 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.339 -12.132 -13.298 1.00 0.00 H new ATOM 442 N ALA A 31 4.506 -11.261 -10.748 1.00 0.00 N ATOM 443 CA ALA A 31 5.650 -11.899 -10.108 1.00 0.00 C ATOM 444 C ALA A 31 5.554 -13.418 -10.199 1.00 0.00 C ATOM 445 O ALA A 31 4.522 -13.963 -10.593 1.00 0.00 O ATOM 446 CB ALA A 31 5.754 -11.461 -8.655 1.00 0.00 C ATOM 0 H ALA A 31 3.601 -11.635 -10.464 1.00 0.00 H new ATOM 0 HA ALA A 31 6.551 -11.586 -10.636 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.613 -11.945 -8.190 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.879 -10.379 -8.609 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.846 -11.744 -8.124 1.00 0.00 H new ATOM 452 N THR A 32 6.636 -14.098 -9.833 1.00 0.00 N ATOM 453 CA THR A 32 6.674 -15.555 -9.875 1.00 0.00 C ATOM 454 C THR A 32 6.596 -16.148 -8.473 1.00 0.00 C ATOM 455 O THR A 32 7.150 -15.594 -7.524 1.00 0.00 O ATOM 456 CB THR A 32 7.953 -16.064 -10.565 1.00 0.00 C ATOM 457 OG1 THR A 32 8.090 -15.455 -11.854 1.00 0.00 O ATOM 458 CG2 THR A 32 7.922 -17.577 -10.715 1.00 0.00 C ATOM 0 H THR A 32 7.498 -13.663 -9.504 1.00 0.00 H new ATOM 0 HA THR A 32 5.807 -15.877 -10.451 1.00 0.00 H new ATOM 0 HB THR A 32 8.806 -15.794 -9.943 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.907 -15.783 -12.285 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.836 -17.913 -11.205 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.847 -18.039 -9.730 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.060 -17.865 -11.317 1.00 0.00 H new ATOM 466 N GLU A 33 5.905 -17.277 -8.350 1.00 0.00 N ATOM 467 CA GLU A 33 5.756 -17.944 -7.062 1.00 0.00 C ATOM 468 C GLU A 33 7.115 -18.177 -6.409 1.00 0.00 C ATOM 469 O GLU A 33 8.024 -18.733 -7.025 1.00 0.00 O ATOM 470 CB GLU A 33 5.025 -19.278 -7.235 1.00 0.00 C ATOM 471 CG GLU A 33 3.703 -19.348 -6.491 1.00 0.00 C ATOM 472 CD GLU A 33 3.104 -20.741 -6.495 1.00 0.00 C ATOM 473 OE1 GLU A 33 3.768 -21.674 -5.999 1.00 0.00 O ATOM 474 OE2 GLU A 33 1.970 -20.897 -6.996 1.00 0.00 O ATOM 0 H GLU A 33 5.440 -17.748 -9.126 1.00 0.00 H new ATOM 0 HA GLU A 33 5.167 -17.296 -6.413 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.845 -19.449 -8.296 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.671 -20.084 -6.888 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.852 -19.024 -5.461 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.998 -18.652 -6.945 1.00 0.00 H new ATOM 481 N GLY A 34 7.246 -17.747 -5.158 1.00 0.00 N ATOM 482 CA GLY A 34 8.497 -17.917 -4.442 1.00 0.00 C ATOM 483 C GLY A 34 9.482 -16.800 -4.722 1.00 0.00 C ATOM 484 O GLY A 34 10.686 -16.960 -4.525 1.00 0.00 O ATOM 0 H GLY A 34 6.508 -17.284 -4.627 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.296 -17.960 -3.372 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.945 -18.871 -4.721 1.00 0.00 H new ATOM 488 N ALA A 35 8.970 -15.664 -5.186 1.00 0.00 N ATOM 489 CA ALA A 35 9.813 -14.516 -5.494 1.00 0.00 C ATOM 490 C ALA A 35 9.446 -13.317 -4.625 1.00 0.00 C ATOM 491 O ALA A 35 8.651 -13.433 -3.692 1.00 0.00 O ATOM 492 CB ALA A 35 9.697 -14.157 -6.968 1.00 0.00 C ATOM 0 H ALA A 35 7.975 -15.515 -5.357 1.00 0.00 H new ATOM 0 HA ALA A 35 10.846 -14.786 -5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.332 -13.298 -7.184 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.015 -15.005 -7.575 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.661 -13.911 -7.202 1.00 0.00 H new ATOM 498 N THR A 36 10.032 -12.165 -4.937 1.00 0.00 N ATOM 499 CA THR A 36 9.768 -10.945 -4.184 1.00 0.00 C ATOM 500 C THR A 36 9.168 -9.866 -5.077 1.00 0.00 C ATOM 501 O THR A 36 9.805 -9.406 -6.024 1.00 0.00 O ATOM 502 CB THR A 36 11.052 -10.400 -3.531 1.00 0.00 C ATOM 503 OG1 THR A 36 11.742 -11.454 -2.851 1.00 0.00 O ATOM 504 CG2 THR A 36 10.728 -9.283 -2.550 1.00 0.00 C ATOM 0 H THR A 36 10.692 -12.051 -5.706 1.00 0.00 H new ATOM 0 HA THR A 36 9.053 -11.204 -3.403 1.00 0.00 H new ATOM 0 HB THR A 36 11.690 -9.998 -4.318 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.558 -11.099 -2.440 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.650 -8.914 -2.101 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.230 -8.469 -3.077 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.072 -9.665 -1.768 1.00 0.00 H new ATOM 512 N ALA A 37 7.938 -9.466 -4.770 1.00 0.00 N ATOM 513 CA ALA A 37 7.253 -8.438 -5.544 1.00 0.00 C ATOM 514 C ALA A 37 7.116 -7.148 -4.743 1.00 0.00 C ATOM 515 O ALA A 37 6.938 -7.177 -3.525 1.00 0.00 O ATOM 516 CB ALA A 37 5.885 -8.935 -5.986 1.00 0.00 C ATOM 0 H ALA A 37 7.396 -9.838 -3.991 1.00 0.00 H new ATOM 0 HA ALA A 37 7.853 -8.223 -6.428 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.384 -8.157 -6.563 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.003 -9.826 -6.603 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.286 -9.179 -5.109 1.00 0.00 H new ATOM 522 N VAL A 38 7.202 -6.016 -5.435 1.00 0.00 N ATOM 523 CA VAL A 38 7.087 -4.714 -4.788 1.00 0.00 C ATOM 524 C VAL A 38 6.457 -3.689 -5.724 1.00 0.00 C ATOM 525 O VAL A 38 6.940 -3.468 -6.836 1.00 0.00 O ATOM 526 CB VAL A 38 8.461 -4.195 -4.324 1.00 0.00 C ATOM 527 CG1 VAL A 38 9.435 -4.145 -5.491 1.00 0.00 C ATOM 528 CG2 VAL A 38 8.321 -2.825 -3.677 1.00 0.00 C ATOM 0 H VAL A 38 7.351 -5.974 -6.443 1.00 0.00 H new ATOM 0 HA VAL A 38 6.445 -4.848 -3.917 1.00 0.00 H new ATOM 0 HB VAL A 38 8.859 -4.885 -3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.400 -3.776 -5.144 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.557 -5.145 -5.906 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.047 -3.478 -6.261 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.301 -2.473 -3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.902 -2.123 -4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.659 -2.896 -2.814 1.00 0.00 H new ATOM 538 N LEU A 39 5.378 -3.064 -5.268 1.00 0.00 N ATOM 539 CA LEU A 39 4.681 -2.060 -6.065 1.00 0.00 C ATOM 540 C LEU A 39 5.128 -0.653 -5.680 1.00 0.00 C ATOM 541 O LEU A 39 4.909 -0.208 -4.554 1.00 0.00 O ATOM 542 CB LEU A 39 3.168 -2.194 -5.881 1.00 0.00 C ATOM 543 CG LEU A 39 2.529 -3.449 -6.478 1.00 0.00 C ATOM 544 CD1 LEU A 39 1.473 -4.008 -5.538 1.00 0.00 C ATOM 545 CD2 LEU A 39 1.923 -3.142 -7.840 1.00 0.00 C ATOM 0 H LEU A 39 4.966 -3.234 -4.351 1.00 0.00 H new ATOM 0 HA LEU A 39 4.930 -2.227 -7.113 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.948 -2.171 -4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.689 -1.321 -6.324 1.00 0.00 H new ATOM 0 HG LEU A 39 3.306 -4.202 -6.609 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.029 -4.900 -5.979 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.934 -4.265 -4.585 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.698 -3.259 -5.376 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.473 -4.046 -8.250 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.159 -2.372 -7.733 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.703 -2.787 -8.514 1.00 0.00 H new ATOM 557 N ARG A 40 5.755 0.042 -6.624 1.00 0.00 N ATOM 558 CA ARG A 40 6.232 1.398 -6.385 1.00 0.00 C ATOM 559 C ARG A 40 5.415 2.411 -7.182 1.00 0.00 C ATOM 560 O ARG A 40 4.891 2.096 -8.252 1.00 0.00 O ATOM 561 CB ARG A 40 7.711 1.514 -6.756 1.00 0.00 C ATOM 562 CG ARG A 40 8.589 0.462 -6.098 1.00 0.00 C ATOM 563 CD ARG A 40 9.418 -0.293 -7.125 1.00 0.00 C ATOM 564 NE ARG A 40 10.558 0.492 -7.592 1.00 0.00 N ATOM 565 CZ ARG A 40 11.609 -0.034 -8.210 1.00 0.00 C ATOM 566 NH1 ARG A 40 11.665 -1.340 -8.434 1.00 0.00 N ATOM 567 NH2 ARG A 40 12.607 0.746 -8.606 1.00 0.00 N ATOM 0 H ARG A 40 5.944 -0.312 -7.562 1.00 0.00 H new ATOM 0 HA ARG A 40 6.113 1.616 -5.324 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.813 1.434 -7.838 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.071 2.503 -6.474 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.250 0.939 -5.375 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.965 -0.240 -5.545 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.775 -1.226 -6.688 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.789 -0.559 -7.974 1.00 0.00 H new ATOM 0 HE ARG A 40 10.546 1.500 -7.435 1.00 0.00 H new ATOM 0 HH11 ARG A 40 10.900 -1.943 -8.131 1.00 0.00 H new ATOM 0 HH12 ARG A 40 12.473 -1.742 -8.909 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.567 1.751 -8.436 1.00 0.00 H new ATOM 0 HH22 ARG A 40 13.414 0.341 -9.081 1.00 0.00 H new ATOM 581 N CYS A 41 5.311 3.625 -6.655 1.00 0.00 N ATOM 582 CA CYS A 41 4.557 4.684 -7.317 1.00 0.00 C ATOM 583 C CYS A 41 5.159 6.052 -7.013 1.00 0.00 C ATOM 584 O CYS A 41 5.850 6.227 -6.010 1.00 0.00 O ATOM 585 CB CYS A 41 3.093 4.648 -6.877 1.00 0.00 C ATOM 586 SG CYS A 41 2.851 4.879 -5.100 1.00 0.00 S ATOM 0 H CYS A 41 5.739 3.901 -5.771 1.00 0.00 H new ATOM 0 HA CYS A 41 4.609 4.515 -8.393 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.545 5.424 -7.411 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.660 3.692 -7.171 1.00 0.00 H new ATOM 0 HG CYS A 41 1.586 5.047 -4.853 1.00 0.00 H new ATOM 592 N GLU A 42 4.892 7.018 -7.887 1.00 0.00 N ATOM 593 CA GLU A 42 5.410 8.370 -7.712 1.00 0.00 C ATOM 594 C GLU A 42 4.284 9.345 -7.381 1.00 0.00 C ATOM 595 O GLU A 42 3.157 9.195 -7.855 1.00 0.00 O ATOM 596 CB GLU A 42 6.140 8.827 -8.976 1.00 0.00 C ATOM 597 CG GLU A 42 7.244 9.836 -8.710 1.00 0.00 C ATOM 598 CD GLU A 42 7.872 10.366 -9.985 1.00 0.00 C ATOM 599 OE1 GLU A 42 7.141 10.964 -10.802 1.00 0.00 O ATOM 600 OE2 GLU A 42 9.094 10.181 -10.165 1.00 0.00 O ATOM 0 H GLU A 42 4.321 6.890 -8.722 1.00 0.00 H new ATOM 0 HA GLU A 42 6.113 8.358 -6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.567 7.956 -9.473 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.417 9.265 -9.665 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.839 10.669 -8.136 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.015 9.371 -8.096 1.00 0.00 H new ATOM 607 N LEU A 43 4.596 10.344 -6.563 1.00 0.00 N ATOM 608 CA LEU A 43 3.612 11.345 -6.167 1.00 0.00 C ATOM 609 C LEU A 43 4.071 12.746 -6.559 1.00 0.00 C ATOM 610 O LEU A 43 5.264 12.992 -6.737 1.00 0.00 O ATOM 611 CB LEU A 43 3.368 11.280 -4.658 1.00 0.00 C ATOM 612 CG LEU A 43 2.355 10.236 -4.186 1.00 0.00 C ATOM 613 CD1 LEU A 43 2.646 9.819 -2.753 1.00 0.00 C ATOM 614 CD2 LEU A 43 0.937 10.776 -4.309 1.00 0.00 C ATOM 0 H LEU A 43 5.523 10.482 -6.161 1.00 0.00 H new ATOM 0 HA LEU A 43 2.680 11.129 -6.690 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.320 11.083 -4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.032 12.261 -4.322 1.00 0.00 H new ATOM 0 HG LEU A 43 2.445 9.356 -4.823 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.915 9.076 -2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.647 9.392 -2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.585 10.690 -2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.229 10.020 -3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.834 11.671 -3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.731 11.024 -5.350 1.00 0.00 H new ATOM 626 N SER A 44 3.116 13.661 -6.690 1.00 0.00 N ATOM 627 CA SER A 44 3.422 15.037 -7.063 1.00 0.00 C ATOM 628 C SER A 44 4.048 15.790 -5.893 1.00 0.00 C ATOM 629 O SER A 44 4.834 16.719 -6.086 1.00 0.00 O ATOM 630 CB SER A 44 2.154 15.756 -7.527 1.00 0.00 C ATOM 631 OG SER A 44 2.241 16.114 -8.895 1.00 0.00 O ATOM 0 H SER A 44 2.124 13.474 -6.543 1.00 0.00 H new ATOM 0 HA SER A 44 4.139 15.014 -7.884 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.289 15.111 -7.371 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.998 16.650 -6.923 1.00 0.00 H new ATOM 0 HG SER A 44 1.417 16.570 -9.167 1.00 0.00 H new ATOM 637 N LYS A 45 3.695 15.384 -4.678 1.00 0.00 N ATOM 638 CA LYS A 45 4.221 16.017 -3.475 1.00 0.00 C ATOM 639 C LYS A 45 4.275 15.025 -2.318 1.00 0.00 C ATOM 640 O LYS A 45 3.411 14.158 -2.190 1.00 0.00 O ATOM 641 CB LYS A 45 3.360 17.222 -3.090 1.00 0.00 C ATOM 642 CG LYS A 45 4.143 18.519 -2.979 1.00 0.00 C ATOM 643 CD LYS A 45 3.481 19.489 -2.016 1.00 0.00 C ATOM 644 CE LYS A 45 3.718 19.087 -0.569 1.00 0.00 C ATOM 645 NZ LYS A 45 3.712 20.265 0.342 1.00 0.00 N ATOM 0 H LYS A 45 3.045 14.618 -4.501 1.00 0.00 H new ATOM 0 HA LYS A 45 5.235 16.356 -3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.571 17.346 -3.832 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.872 17.019 -2.137 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.157 18.305 -2.642 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.225 18.981 -3.963 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.871 20.493 -2.184 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.410 19.525 -2.214 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.947 18.383 -0.257 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.674 18.570 -0.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.877 19.949 1.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.464 20.926 0.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.791 20.744 0.284 1.00 0.00 H new ATOM 659 N MET A 46 5.294 15.161 -1.475 1.00 0.00 N ATOM 660 CA MET A 46 5.458 14.278 -0.326 1.00 0.00 C ATOM 661 C MET A 46 4.211 14.292 0.552 1.00 0.00 C ATOM 662 O MET A 46 3.638 15.349 0.815 1.00 0.00 O ATOM 663 CB MET A 46 6.680 14.696 0.495 1.00 0.00 C ATOM 664 CG MET A 46 6.965 13.775 1.670 1.00 0.00 C ATOM 665 SD MET A 46 7.745 14.633 3.051 1.00 0.00 S ATOM 666 CE MET A 46 9.116 15.434 2.222 1.00 0.00 C ATOM 0 H MET A 46 6.018 15.874 -1.566 1.00 0.00 H new ATOM 0 HA MET A 46 5.608 13.264 -0.696 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.554 14.722 -0.156 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.529 15.710 0.866 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.032 13.324 2.008 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.612 12.962 1.341 1.00 0.00 H new ATOM 0 HE1 MET A 46 9.829 15.795 2.963 1.00 0.00 H new ATOM 0 HE2 MET A 46 9.609 14.721 1.562 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.746 16.275 1.636 1.00 0.00 H new ATOM 676 N ALA A 47 3.797 13.112 1.003 1.00 0.00 N ATOM 677 CA ALA A 47 2.620 12.990 1.853 1.00 0.00 C ATOM 678 C ALA A 47 2.400 11.543 2.282 1.00 0.00 C ATOM 679 O ALA A 47 2.909 10.605 1.669 1.00 0.00 O ATOM 680 CB ALA A 47 1.390 13.521 1.131 1.00 0.00 C ATOM 0 H ALA A 47 4.260 12.227 0.794 1.00 0.00 H new ATOM 0 HA ALA A 47 2.787 13.586 2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.518 13.424 1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.540 14.571 0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.229 12.949 0.217 1.00 0.00 H new ATOM 686 N PRO A 48 1.625 11.356 3.361 1.00 0.00 N ATOM 687 CA PRO A 48 1.321 10.026 3.896 1.00 0.00 C ATOM 688 C PRO A 48 0.403 9.227 2.977 1.00 0.00 C ATOM 689 O PRO A 48 -0.495 9.783 2.343 1.00 0.00 O ATOM 690 CB PRO A 48 0.617 10.329 5.221 1.00 0.00 C ATOM 691 CG PRO A 48 0.034 11.688 5.039 1.00 0.00 C ATOM 692 CD PRO A 48 0.985 12.429 4.141 1.00 0.00 C ATOM 0 HA PRO A 48 2.218 9.416 4.003 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -0.157 9.592 5.436 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.318 10.308 6.056 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -0.959 11.630 4.593 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.076 12.197 5.997 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.461 13.136 3.497 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.716 13.000 4.714 1.00 0.00 H new ATOM 700 N VAL A 49 0.633 7.920 2.908 1.00 0.00 N ATOM 701 CA VAL A 49 -0.174 7.044 2.067 1.00 0.00 C ATOM 702 C VAL A 49 -0.686 5.844 2.856 1.00 0.00 C ATOM 703 O VAL A 49 -0.088 5.444 3.853 1.00 0.00 O ATOM 704 CB VAL A 49 0.625 6.542 0.850 1.00 0.00 C ATOM 705 CG1 VAL A 49 1.050 7.708 -0.029 1.00 0.00 C ATOM 706 CG2 VAL A 49 1.834 5.737 1.303 1.00 0.00 C ATOM 0 H VAL A 49 1.372 7.444 3.425 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.022 7.633 1.717 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.018 5.889 0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.613 7.333 -0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.166 8.239 -0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.676 8.389 0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.388 5.390 0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.480 6.365 1.916 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.502 4.879 1.887 1.00 0.00 H new ATOM 716 N GLU A 50 -1.798 5.275 2.400 1.00 0.00 N ATOM 717 CA GLU A 50 -2.391 4.120 3.064 1.00 0.00 C ATOM 718 C GLU A 50 -2.600 2.974 2.079 1.00 0.00 C ATOM 719 O GLU A 50 -3.272 3.132 1.060 1.00 0.00 O ATOM 720 CB GLU A 50 -3.725 4.503 3.708 1.00 0.00 C ATOM 721 CG GLU A 50 -3.586 5.491 4.855 1.00 0.00 C ATOM 722 CD GLU A 50 -3.528 6.930 4.381 1.00 0.00 C ATOM 723 OE1 GLU A 50 -4.428 7.339 3.618 1.00 0.00 O ATOM 724 OE2 GLU A 50 -2.584 7.647 4.773 1.00 0.00 O ATOM 0 H GLU A 50 -2.305 5.595 1.575 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.703 3.787 3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.376 4.932 2.947 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.214 3.601 4.074 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.427 5.371 5.537 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.682 5.262 5.420 1.00 0.00 H new ATOM 731 N TRP A 51 -2.018 1.821 2.390 1.00 0.00 N ATOM 732 CA TRP A 51 -2.140 0.648 1.532 1.00 0.00 C ATOM 733 C TRP A 51 -3.310 -0.228 1.969 1.00 0.00 C ATOM 734 O TRP A 51 -3.381 -0.654 3.122 1.00 0.00 O ATOM 735 CB TRP A 51 -0.844 -0.163 1.555 1.00 0.00 C ATOM 736 CG TRP A 51 0.316 0.552 0.932 1.00 0.00 C ATOM 737 CD1 TRP A 51 1.112 1.492 1.521 1.00 0.00 C ATOM 738 CD2 TRP A 51 0.808 0.387 -0.403 1.00 0.00 C ATOM 739 NE1 TRP A 51 2.069 1.922 0.634 1.00 0.00 N ATOM 740 CE2 TRP A 51 1.905 1.258 -0.553 1.00 0.00 C ATOM 741 CE3 TRP A 51 0.430 -0.413 -1.484 1.00 0.00 C ATOM 742 CZ2 TRP A 51 2.624 1.350 -1.742 1.00 0.00 C ATOM 743 CZ3 TRP A 51 1.145 -0.320 -2.663 1.00 0.00 C ATOM 744 CH2 TRP A 51 2.233 0.555 -2.784 1.00 0.00 C ATOM 0 H TRP A 51 -1.457 1.673 3.229 1.00 0.00 H new ATOM 0 HA TRP A 51 -2.328 0.991 0.515 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.597 -0.410 2.587 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -1.004 -1.105 1.031 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.005 1.846 2.536 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.785 2.622 0.828 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.406 -1.092 -1.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 3.461 2.026 -1.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.860 -0.932 -3.506 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.773 0.602 -3.718 1.00 0.00 H new ATOM 755 N TRP A 52 -4.224 -0.492 1.042 1.00 0.00 N ATOM 756 CA TRP A 52 -5.390 -1.317 1.333 1.00 0.00 C ATOM 757 C TRP A 52 -5.445 -2.528 0.408 1.00 0.00 C ATOM 758 O TRP A 52 -5.071 -2.445 -0.762 1.00 0.00 O ATOM 759 CB TRP A 52 -6.671 -0.493 1.193 1.00 0.00 C ATOM 760 CG TRP A 52 -6.792 0.596 2.215 1.00 0.00 C ATOM 761 CD1 TRP A 52 -6.070 1.754 2.267 1.00 0.00 C ATOM 762 CD2 TRP A 52 -7.687 0.628 3.332 1.00 0.00 C ATOM 763 NE1 TRP A 52 -6.462 2.504 3.350 1.00 0.00 N ATOM 764 CE2 TRP A 52 -7.454 1.836 4.018 1.00 0.00 C ATOM 765 CE3 TRP A 52 -8.664 -0.244 3.817 1.00 0.00 C ATOM 766 CZ2 TRP A 52 -8.161 2.189 5.164 1.00 0.00 C ATOM 767 CZ3 TRP A 52 -9.366 0.107 4.955 1.00 0.00 C ATOM 768 CH2 TRP A 52 -9.112 1.316 5.618 1.00 0.00 C ATOM 0 H TRP A 52 -4.180 -0.147 0.083 1.00 0.00 H new ATOM 0 HA TRP A 52 -5.306 -1.672 2.360 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -6.703 -0.052 0.197 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.532 -1.156 1.276 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -5.304 2.039 1.561 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -6.077 3.411 3.614 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.868 -1.177 3.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -7.966 3.119 5.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.122 -0.561 5.340 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -9.678 1.563 6.504 1.00 0.00 H new ATOM 779 N LYS A 53 -5.915 -3.652 0.938 1.00 0.00 N ATOM 780 CA LYS A 53 -6.021 -4.880 0.160 1.00 0.00 C ATOM 781 C LYS A 53 -7.378 -5.543 0.371 1.00 0.00 C ATOM 782 O LYS A 53 -7.576 -6.282 1.333 1.00 0.00 O ATOM 783 CB LYS A 53 -4.902 -5.850 0.545 1.00 0.00 C ATOM 784 CG LYS A 53 -4.732 -7.002 -0.431 1.00 0.00 C ATOM 785 CD LYS A 53 -3.791 -8.062 0.115 1.00 0.00 C ATOM 786 CE LYS A 53 -3.333 -9.017 -0.977 1.00 0.00 C ATOM 787 NZ LYS A 53 -4.310 -10.120 -1.194 1.00 0.00 N ATOM 0 H LYS A 53 -6.229 -3.738 1.905 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.923 -4.622 -0.894 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.963 -5.300 0.612 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.107 -6.253 1.537 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.704 -7.450 -0.639 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.346 -6.624 -1.377 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.923 -7.582 0.567 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.292 -8.623 0.904 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.195 -8.466 -1.907 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.364 -9.438 -0.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.102 -10.596 -2.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.238 -10.806 -0.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.274 -9.730 -1.223 1.00 0.00 H new ATOM 801 N GLY A 54 -8.311 -5.273 -0.538 1.00 0.00 N ATOM 802 CA GLY A 54 -9.638 -5.852 -0.433 1.00 0.00 C ATOM 803 C GLY A 54 -10.421 -5.298 0.740 1.00 0.00 C ATOM 804 O GLY A 54 -10.797 -6.038 1.650 1.00 0.00 O ATOM 0 H GLY A 54 -8.171 -4.664 -1.344 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.188 -5.662 -1.355 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.552 -6.934 -0.330 1.00 0.00 H new ATOM 808 N HIS A 55 -10.668 -3.992 0.721 1.00 0.00 N ATOM 809 CA HIS A 55 -11.412 -3.339 1.793 1.00 0.00 C ATOM 810 C HIS A 55 -10.792 -3.650 3.152 1.00 0.00 C ATOM 811 O HIS A 55 -11.502 -3.857 4.135 1.00 0.00 O ATOM 812 CB HIS A 55 -12.874 -3.785 1.772 1.00 0.00 C ATOM 813 CG HIS A 55 -13.792 -2.861 2.511 1.00 0.00 C ATOM 814 ND1 HIS A 55 -14.849 -3.304 3.278 1.00 0.00 N ATOM 815 CD2 HIS A 55 -13.807 -1.510 2.599 1.00 0.00 C ATOM 816 CE1 HIS A 55 -15.474 -2.266 3.804 1.00 0.00 C ATOM 817 NE2 HIS A 55 -14.861 -1.166 3.407 1.00 0.00 N ATOM 0 H HIS A 55 -10.364 -3.365 -0.024 1.00 0.00 H new ATOM 0 HA HIS A 55 -11.366 -2.262 1.631 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -13.207 -3.863 0.737 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -12.948 -4.782 2.207 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -13.117 -0.830 2.122 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -16.339 -2.310 4.449 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -15.128 -0.215 3.660 1.00 0.00 H new ATOM 825 N GLU A 56 -9.463 -3.680 3.198 1.00 0.00 N ATOM 826 CA GLU A 56 -8.749 -3.967 4.436 1.00 0.00 C ATOM 827 C GLU A 56 -7.443 -3.181 4.505 1.00 0.00 C ATOM 828 O GLU A 56 -6.725 -3.059 3.512 1.00 0.00 O ATOM 829 CB GLU A 56 -8.462 -5.466 4.550 1.00 0.00 C ATOM 830 CG GLU A 56 -7.765 -5.855 5.842 1.00 0.00 C ATOM 831 CD GLU A 56 -8.167 -7.234 6.330 1.00 0.00 C ATOM 832 OE1 GLU A 56 -7.629 -8.230 5.804 1.00 0.00 O ATOM 833 OE2 GLU A 56 -9.020 -7.315 7.239 1.00 0.00 O ATOM 0 H GLU A 56 -8.860 -3.509 2.393 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.381 -3.661 5.270 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.401 -6.014 4.474 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.844 -5.774 3.707 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.686 -5.828 5.691 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.998 -5.119 6.612 1.00 0.00 H new ATOM 840 N THR A 57 -7.140 -2.650 5.686 1.00 0.00 N ATOM 841 CA THR A 57 -5.922 -1.875 5.885 1.00 0.00 C ATOM 842 C THR A 57 -4.750 -2.777 6.251 1.00 0.00 C ATOM 843 O THR A 57 -4.815 -3.535 7.220 1.00 0.00 O ATOM 844 CB THR A 57 -6.105 -0.817 6.990 1.00 0.00 C ATOM 845 OG1 THR A 57 -7.493 -0.683 7.316 1.00 0.00 O ATOM 846 CG2 THR A 57 -5.551 0.529 6.547 1.00 0.00 C ATOM 0 H THR A 57 -7.722 -2.743 6.519 1.00 0.00 H new ATOM 0 HA THR A 57 -5.709 -1.373 4.941 1.00 0.00 H new ATOM 0 HB THR A 57 -5.556 -1.146 7.872 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.972 -0.296 6.554 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.691 1.260 7.343 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.488 0.431 6.328 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.076 0.862 5.652 1.00 0.00 H new ATOM 854 N LEU A 58 -3.678 -2.691 5.471 1.00 0.00 N ATOM 855 CA LEU A 58 -2.489 -3.501 5.714 1.00 0.00 C ATOM 856 C LEU A 58 -1.617 -2.877 6.799 1.00 0.00 C ATOM 857 O LEU A 58 -1.942 -1.818 7.337 1.00 0.00 O ATOM 858 CB LEU A 58 -1.682 -3.658 4.423 1.00 0.00 C ATOM 859 CG LEU A 58 -2.474 -4.078 3.184 1.00 0.00 C ATOM 860 CD1 LEU A 58 -1.650 -3.859 1.925 1.00 0.00 C ATOM 861 CD2 LEU A 58 -2.905 -5.533 3.295 1.00 0.00 C ATOM 0 H LEU A 58 -3.608 -2.069 4.666 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.813 -4.484 6.055 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.187 -2.710 4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.898 -4.395 4.596 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.369 -3.459 3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.229 -4.163 1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.391 -2.804 1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.738 -4.453 1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.467 -5.815 2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.023 -6.168 3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.533 -5.660 4.176 1.00 0.00 H new ATOM 873 N ARG A 59 -0.508 -3.538 7.113 1.00 0.00 N ATOM 874 CA ARG A 59 0.411 -3.047 8.133 1.00 0.00 C ATOM 875 C ARG A 59 1.855 -3.388 7.773 1.00 0.00 C ATOM 876 O ARG A 59 2.114 -4.058 6.773 1.00 0.00 O ATOM 877 CB ARG A 59 0.060 -3.645 9.496 1.00 0.00 C ATOM 878 CG ARG A 59 0.107 -5.164 9.526 1.00 0.00 C ATOM 879 CD ARG A 59 -1.241 -5.770 9.166 1.00 0.00 C ATOM 880 NE ARG A 59 -1.547 -6.945 9.977 1.00 0.00 N ATOM 881 CZ ARG A 59 -2.597 -7.731 9.766 1.00 0.00 C ATOM 882 NH1 ARG A 59 -3.436 -7.468 8.774 1.00 0.00 N ATOM 883 NH2 ARG A 59 -2.809 -8.782 10.547 1.00 0.00 N ATOM 0 H ARG A 59 -0.224 -4.415 6.676 1.00 0.00 H new ATOM 0 HA ARG A 59 0.313 -1.963 8.183 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.750 -3.254 10.243 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.939 -3.315 9.781 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.865 -5.520 8.828 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.405 -5.500 10.519 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.022 -5.022 9.302 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.244 -6.046 8.112 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.920 -7.175 10.748 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.276 -6.661 8.171 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.242 -8.073 8.614 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.165 -8.988 11.311 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.616 -9.384 10.384 1.00 0.00 H new ATOM 897 N ASP A 60 2.789 -2.921 8.593 1.00 0.00 N ATOM 898 CA ASP A 60 4.206 -3.176 8.362 1.00 0.00 C ATOM 899 C ASP A 60 4.696 -4.339 9.219 1.00 0.00 C ATOM 900 O ASP A 60 4.643 -4.284 10.447 1.00 0.00 O ATOM 901 CB ASP A 60 5.028 -1.921 8.664 1.00 0.00 C ATOM 902 CG ASP A 60 4.770 -1.382 10.057 1.00 0.00 C ATOM 903 OD1 ASP A 60 3.827 -0.579 10.218 1.00 0.00 O ATOM 904 OD2 ASP A 60 5.510 -1.764 10.988 1.00 0.00 O ATOM 0 H ASP A 60 2.591 -2.364 9.424 1.00 0.00 H new ATOM 0 HA ASP A 60 4.336 -3.442 7.313 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.088 -2.150 8.557 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.792 -1.150 7.930 1.00 0.00 H new ATOM 909 N GLY A 61 5.173 -5.392 8.562 1.00 0.00 N ATOM 910 CA GLY A 61 5.664 -6.554 9.280 1.00 0.00 C ATOM 911 C GLY A 61 6.830 -7.219 8.576 1.00 0.00 C ATOM 912 O GLY A 61 7.452 -6.627 7.694 1.00 0.00 O ATOM 0 H GLY A 61 5.228 -5.461 7.546 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.971 -6.255 10.282 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.854 -7.275 9.396 1.00 0.00 H new ATOM 916 N ASP A 62 7.129 -8.453 8.968 1.00 0.00 N ATOM 917 CA ASP A 62 8.229 -9.200 8.369 1.00 0.00 C ATOM 918 C ASP A 62 7.907 -9.579 6.927 1.00 0.00 C ATOM 919 O ASP A 62 8.748 -9.448 6.038 1.00 0.00 O ATOM 920 CB ASP A 62 8.523 -10.459 9.187 1.00 0.00 C ATOM 921 CG ASP A 62 9.958 -10.924 9.037 1.00 0.00 C ATOM 922 OD1 ASP A 62 10.808 -10.105 8.630 1.00 0.00 O ATOM 923 OD2 ASP A 62 10.231 -12.109 9.325 1.00 0.00 O ATOM 0 H ASP A 62 6.625 -8.957 9.698 1.00 0.00 H new ATOM 0 HA ASP A 62 9.112 -8.561 8.369 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.316 -10.262 10.239 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.851 -11.258 8.874 1.00 0.00 H new ATOM 928 N ARG A 63 6.685 -10.050 6.703 1.00 0.00 N ATOM 929 CA ARG A 63 6.253 -10.450 5.370 1.00 0.00 C ATOM 930 C ARG A 63 6.047 -9.231 4.476 1.00 0.00 C ATOM 931 O ARG A 63 6.508 -9.199 3.335 1.00 0.00 O ATOM 932 CB ARG A 63 4.958 -11.261 5.451 1.00 0.00 C ATOM 933 CG ARG A 63 5.110 -12.579 6.191 1.00 0.00 C ATOM 934 CD ARG A 63 4.078 -13.598 5.733 1.00 0.00 C ATOM 935 NE ARG A 63 2.717 -13.185 6.066 1.00 0.00 N ATOM 936 CZ ARG A 63 1.631 -13.791 5.600 1.00 0.00 C ATOM 937 NH1 ARG A 63 1.745 -14.831 4.786 1.00 0.00 N ATOM 938 NH2 ARG A 63 0.426 -13.357 5.949 1.00 0.00 N ATOM 0 H ARG A 63 5.976 -10.164 7.428 1.00 0.00 H new ATOM 0 HA ARG A 63 7.036 -11.071 4.934 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.194 -10.662 5.947 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.600 -11.460 4.441 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.112 -12.976 6.027 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.005 -12.410 7.263 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.161 -13.739 4.655 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.289 -14.561 6.197 1.00 0.00 H new ATOM 0 HE ARG A 63 2.594 -12.388 6.690 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.669 -15.168 4.516 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.909 -15.294 4.430 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.334 -12.557 6.576 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.407 -13.823 5.591 1.00 0.00 H new ATOM 952 N HIS A 64 5.351 -8.228 5.003 1.00 0.00 N ATOM 953 CA HIS A 64 5.083 -7.006 4.253 1.00 0.00 C ATOM 954 C HIS A 64 5.988 -5.871 4.724 1.00 0.00 C ATOM 955 O HIS A 64 5.961 -5.487 5.893 1.00 0.00 O ATOM 956 CB HIS A 64 3.617 -6.601 4.403 1.00 0.00 C ATOM 957 CG HIS A 64 2.667 -7.513 3.689 1.00 0.00 C ATOM 958 ND1 HIS A 64 2.095 -7.414 2.467 1.00 0.00 N flip ATOM 959 CD2 HIS A 64 2.201 -8.691 4.235 1.00 0.00 C flip ATOM 960 CE1 HIS A 64 1.303 -8.523 2.297 1.00 0.00 C flip ATOM 961 NE2 HIS A 64 1.385 -9.278 3.378 1.00 0.00 N flip ATOM 0 H HIS A 64 4.963 -8.238 5.946 1.00 0.00 H new ATOM 0 HA HIS A 64 5.291 -7.201 3.201 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.361 -6.580 5.462 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.488 -5.587 4.024 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.462 -9.074 5.211 1.00 0.00 H new ATOM 0 HE1 HIS A 64 0.710 -8.742 1.422 1.00 0.00 H new ATOM 0 HE2 HIS A 64 0.901 -10.163 3.526 1.00 0.00 H new ATOM 969 N SER A 65 6.789 -5.339 3.806 1.00 0.00 N ATOM 970 CA SER A 65 7.705 -4.252 4.129 1.00 0.00 C ATOM 971 C SER A 65 7.259 -2.952 3.466 1.00 0.00 C ATOM 972 O SER A 65 7.352 -2.799 2.247 1.00 0.00 O ATOM 973 CB SER A 65 9.125 -4.604 3.684 1.00 0.00 C ATOM 974 OG SER A 65 9.881 -5.133 4.760 1.00 0.00 O ATOM 0 H SER A 65 6.822 -5.643 2.833 1.00 0.00 H new ATOM 0 HA SER A 65 7.696 -4.111 5.210 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.085 -5.330 2.872 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.618 -3.714 3.292 1.00 0.00 H new ATOM 0 HG SER A 65 10.784 -5.352 4.449 1.00 0.00 H new ATOM 980 N LEU A 66 6.776 -2.017 4.276 1.00 0.00 N ATOM 981 CA LEU A 66 6.315 -0.729 3.770 1.00 0.00 C ATOM 982 C LEU A 66 7.397 0.335 3.926 1.00 0.00 C ATOM 983 O LEU A 66 7.853 0.613 5.035 1.00 0.00 O ATOM 984 CB LEU A 66 5.046 -0.294 4.505 1.00 0.00 C ATOM 985 CG LEU A 66 3.749 -0.974 4.066 1.00 0.00 C ATOM 986 CD1 LEU A 66 3.714 -2.417 4.547 1.00 0.00 C ATOM 987 CD2 LEU A 66 2.542 -0.207 4.585 1.00 0.00 C ATOM 0 H LEU A 66 6.693 -2.127 5.287 1.00 0.00 H new ATOM 0 HA LEU A 66 6.092 -0.842 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.186 -0.478 5.570 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.929 0.782 4.380 1.00 0.00 H new ATOM 0 HG LEU A 66 3.712 -0.975 2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.784 -2.885 4.225 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.559 -2.962 4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.774 -2.439 5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.628 -0.706 4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.573 -0.174 5.674 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.559 0.809 4.191 1.00 0.00 H new ATOM 999 N ARG A 67 7.801 0.929 2.807 1.00 0.00 N ATOM 1000 CA ARG A 67 8.828 1.964 2.820 1.00 0.00 C ATOM 1001 C ARG A 67 8.344 3.218 2.098 1.00 0.00 C ATOM 1002 O ARG A 67 7.664 3.134 1.076 1.00 0.00 O ATOM 1003 CB ARG A 67 10.110 1.447 2.164 1.00 0.00 C ATOM 1004 CG ARG A 67 10.552 0.088 2.679 1.00 0.00 C ATOM 1005 CD ARG A 67 11.986 -0.220 2.279 1.00 0.00 C ATOM 1006 NE ARG A 67 12.946 0.625 2.985 1.00 0.00 N ATOM 1007 CZ ARG A 67 14.234 0.328 3.111 1.00 0.00 C ATOM 1008 NH1 ARG A 67 14.715 -0.788 2.581 1.00 0.00 N ATOM 1009 NH2 ARG A 67 15.044 1.148 3.768 1.00 0.00 N ATOM 0 H ARG A 67 7.433 0.711 1.881 1.00 0.00 H new ATOM 0 HA ARG A 67 9.037 2.221 3.858 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.957 1.386 1.086 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.910 2.168 2.332 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.463 0.063 3.765 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.890 -0.684 2.287 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.203 -1.268 2.488 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.101 -0.079 1.204 1.00 0.00 H new ATOM 0 HE ARG A 67 12.608 1.491 3.404 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.095 -1.421 2.075 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.705 -1.014 2.679 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.677 2.008 4.177 1.00 0.00 H new ATOM 0 HH22 ARG A 67 16.033 0.919 3.864 1.00 0.00 H new ATOM 1023 N GLN A 68 8.700 4.380 2.637 1.00 0.00 N ATOM 1024 CA GLN A 68 8.302 5.651 2.045 1.00 0.00 C ATOM 1025 C GLN A 68 9.464 6.638 2.041 1.00 0.00 C ATOM 1026 O GLN A 68 10.114 6.851 3.065 1.00 0.00 O ATOM 1027 CB GLN A 68 7.116 6.244 2.808 1.00 0.00 C ATOM 1028 CG GLN A 68 6.019 6.784 1.905 1.00 0.00 C ATOM 1029 CD GLN A 68 5.356 8.024 2.470 1.00 0.00 C ATOM 1030 OE1 GLN A 68 5.018 8.078 3.653 1.00 0.00 O ATOM 1031 NE2 GLN A 68 5.165 9.031 1.625 1.00 0.00 N ATOM 0 H GLN A 68 9.263 4.467 3.483 1.00 0.00 H new ATOM 0 HA GLN A 68 8.005 5.465 1.013 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.695 5.478 3.459 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.474 7.048 3.451 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.440 7.016 0.927 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.266 6.011 1.753 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.461 8.944 0.653 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.723 9.891 1.949 1.00 0.00 H new ATOM 1040 N ASP A 69 9.721 7.237 0.883 1.00 0.00 N ATOM 1041 CA ASP A 69 10.805 8.203 0.746 1.00 0.00 C ATOM 1042 C ASP A 69 10.382 9.374 -0.135 1.00 0.00 C ATOM 1043 O ASP A 69 10.429 9.290 -1.361 1.00 0.00 O ATOM 1044 CB ASP A 69 12.046 7.528 0.158 1.00 0.00 C ATOM 1045 CG ASP A 69 12.802 6.709 1.186 1.00 0.00 C ATOM 1046 OD1 ASP A 69 12.445 5.528 1.382 1.00 0.00 O ATOM 1047 OD2 ASP A 69 13.750 7.249 1.793 1.00 0.00 O ATOM 0 H ASP A 69 9.194 7.071 0.026 1.00 0.00 H new ATOM 0 HA ASP A 69 11.044 8.587 1.738 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.748 6.883 -0.668 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.709 8.289 -0.255 1.00 0.00 H new ATOM 1052 N GLY A 70 9.966 10.466 0.500 1.00 0.00 N ATOM 1053 CA GLY A 70 9.539 11.638 -0.242 1.00 0.00 C ATOM 1054 C GLY A 70 8.295 11.379 -1.069 1.00 0.00 C ATOM 1055 O GLY A 70 7.241 11.043 -0.529 1.00 0.00 O ATOM 0 H GLY A 70 9.917 10.560 1.515 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.345 12.454 0.454 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.347 11.963 -0.898 1.00 0.00 H new ATOM 1059 N ALA A 71 8.417 11.536 -2.383 1.00 0.00 N ATOM 1060 CA ALA A 71 7.294 11.317 -3.286 1.00 0.00 C ATOM 1061 C ALA A 71 7.409 9.969 -3.989 1.00 0.00 C ATOM 1062 O ALA A 71 6.895 9.787 -5.092 1.00 0.00 O ATOM 1063 CB ALA A 71 7.211 12.441 -4.308 1.00 0.00 C ATOM 0 H ALA A 71 9.282 11.814 -2.846 1.00 0.00 H new ATOM 0 HA ALA A 71 6.380 11.311 -2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.368 12.264 -4.976 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.073 13.392 -3.793 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.133 12.474 -4.889 1.00 0.00 H new ATOM 1069 N ARG A 72 8.089 9.027 -3.343 1.00 0.00 N ATOM 1070 CA ARG A 72 8.274 7.695 -3.907 1.00 0.00 C ATOM 1071 C ARG A 72 7.937 6.618 -2.880 1.00 0.00 C ATOM 1072 O ARG A 72 8.743 6.310 -2.001 1.00 0.00 O ATOM 1073 CB ARG A 72 9.714 7.519 -4.393 1.00 0.00 C ATOM 1074 CG ARG A 72 9.897 7.813 -5.873 1.00 0.00 C ATOM 1075 CD ARG A 72 11.330 7.563 -6.317 1.00 0.00 C ATOM 1076 NE ARG A 72 11.492 6.248 -6.931 1.00 0.00 N ATOM 1077 CZ ARG A 72 12.671 5.728 -7.254 1.00 0.00 C ATOM 1078 NH1 ARG A 72 13.785 6.408 -7.022 1.00 0.00 N ATOM 1079 NH2 ARG A 72 12.736 4.525 -7.810 1.00 0.00 N ATOM 0 H ARG A 72 8.521 9.162 -2.429 1.00 0.00 H new ATOM 0 HA ARG A 72 7.596 7.589 -4.754 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.366 8.176 -3.817 1.00 0.00 H new ATOM 0 HB3 ARG A 72 10.034 6.497 -4.192 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.220 7.188 -6.456 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.628 8.850 -6.075 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.629 8.334 -7.027 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.995 7.646 -5.458 1.00 0.00 H new ATOM 0 HE ARG A 72 10.654 5.699 -7.122 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.738 7.333 -6.594 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.689 6.006 -7.271 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.881 3.999 -7.990 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.641 4.126 -8.058 1.00 0.00 H new ATOM 1093 N CYS A 73 6.742 6.049 -2.998 1.00 0.00 N ATOM 1094 CA CYS A 73 6.298 5.007 -2.079 1.00 0.00 C ATOM 1095 C CYS A 73 6.466 3.625 -2.703 1.00 0.00 C ATOM 1096 O CYS A 73 6.342 3.462 -3.916 1.00 0.00 O ATOM 1097 CB CYS A 73 4.836 5.230 -1.691 1.00 0.00 C ATOM 1098 SG CYS A 73 4.463 6.917 -1.157 1.00 0.00 S ATOM 0 H CYS A 73 6.064 6.292 -3.720 1.00 0.00 H new ATOM 0 HA CYS A 73 6.916 5.059 -1.183 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.203 4.982 -2.543 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.575 4.540 -0.888 1.00 0.00 H new ATOM 0 HG CYS A 73 4.011 6.896 0.062 1.00 0.00 H new ATOM 1104 N GLU A 74 6.749 2.633 -1.864 1.00 0.00 N ATOM 1105 CA GLU A 74 6.937 1.266 -2.334 1.00 0.00 C ATOM 1106 C GLU A 74 6.588 0.262 -1.239 1.00 0.00 C ATOM 1107 O GLU A 74 6.922 0.459 -0.070 1.00 0.00 O ATOM 1108 CB GLU A 74 8.381 1.054 -2.794 1.00 0.00 C ATOM 1109 CG GLU A 74 9.377 0.964 -1.650 1.00 0.00 C ATOM 1110 CD GLU A 74 10.801 1.234 -2.094 1.00 0.00 C ATOM 1111 OE1 GLU A 74 10.983 1.987 -3.074 1.00 0.00 O ATOM 1112 OE2 GLU A 74 11.733 0.694 -1.462 1.00 0.00 O ATOM 0 H GLU A 74 6.853 2.751 -0.856 1.00 0.00 H new ATOM 0 HA GLU A 74 6.267 1.105 -3.179 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.435 0.139 -3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.668 1.875 -3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.100 1.679 -0.875 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.322 -0.028 -1.202 1.00 0.00 H new ATOM 1119 N LEU A 75 5.913 -0.816 -1.626 1.00 0.00 N ATOM 1120 CA LEU A 75 5.518 -1.852 -0.679 1.00 0.00 C ATOM 1121 C LEU A 75 6.019 -3.220 -1.128 1.00 0.00 C ATOM 1122 O LEU A 75 5.507 -3.795 -2.088 1.00 0.00 O ATOM 1123 CB LEU A 75 3.996 -1.878 -0.528 1.00 0.00 C ATOM 1124 CG LEU A 75 3.409 -3.121 0.144 1.00 0.00 C ATOM 1125 CD1 LEU A 75 4.073 -3.363 1.490 1.00 0.00 C ATOM 1126 CD2 LEU A 75 1.903 -2.977 0.308 1.00 0.00 C ATOM 0 H LEU A 75 5.628 -0.994 -2.589 1.00 0.00 H new ATOM 0 HA LEU A 75 5.969 -1.619 0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.693 -1.002 0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.551 -1.780 -1.518 1.00 0.00 H new ATOM 0 HG LEU A 75 3.604 -3.983 -0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.643 -4.251 1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.143 -3.511 1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.909 -2.501 2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.502 -3.870 0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.686 -2.105 0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.441 -2.852 -0.671 1.00 0.00 H new ATOM 1138 N GLN A 76 7.023 -3.737 -0.426 1.00 0.00 N ATOM 1139 CA GLN A 76 7.592 -5.039 -0.752 1.00 0.00 C ATOM 1140 C GLN A 76 6.811 -6.160 -0.074 1.00 0.00 C ATOM 1141 O GLN A 76 6.392 -6.029 1.077 1.00 0.00 O ATOM 1142 CB GLN A 76 9.061 -5.097 -0.329 1.00 0.00 C ATOM 1143 CG GLN A 76 9.695 -6.466 -0.516 1.00 0.00 C ATOM 1144 CD GLN A 76 11.129 -6.517 -0.028 1.00 0.00 C ATOM 1145 OE1 GLN A 76 11.394 -6.404 1.169 1.00 0.00 O ATOM 1146 NE2 GLN A 76 12.064 -6.688 -0.955 1.00 0.00 N ATOM 0 H GLN A 76 7.459 -3.274 0.372 1.00 0.00 H new ATOM 0 HA GLN A 76 7.526 -5.176 -1.831 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.625 -4.363 -0.904 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.140 -4.809 0.719 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.106 -7.211 0.020 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.665 -6.735 -1.572 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.799 -6.777 -1.936 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.047 -6.730 -0.686 1.00 0.00 H new ATOM 1155 N ILE A 77 6.619 -7.260 -0.794 1.00 0.00 N ATOM 1156 CA ILE A 77 5.889 -8.403 -0.261 1.00 0.00 C ATOM 1157 C ILE A 77 6.668 -9.698 -0.469 1.00 0.00 C ATOM 1158 O ILE A 77 6.880 -10.132 -1.601 1.00 0.00 O ATOM 1159 CB ILE A 77 4.502 -8.541 -0.917 1.00 0.00 C ATOM 1160 CG1 ILE A 77 3.692 -7.257 -0.722 1.00 0.00 C ATOM 1161 CG2 ILE A 77 3.759 -9.736 -0.339 1.00 0.00 C ATOM 1162 CD1 ILE A 77 3.090 -6.723 -2.002 1.00 0.00 C ATOM 0 H ILE A 77 6.959 -7.384 -1.748 1.00 0.00 H new ATOM 0 HA ILE A 77 5.761 -8.226 0.807 1.00 0.00 H new ATOM 0 HB ILE A 77 4.636 -8.705 -1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.893 -7.446 -0.005 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.336 -6.493 -0.287 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.781 -9.820 -0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.331 -10.645 -0.525 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.632 -9.601 0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.530 -5.812 -1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.885 -6.502 -2.714 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.420 -7.470 -2.428 1.00 0.00 H new ATOM 1174 N ARG A 78 7.090 -10.310 0.632 1.00 0.00 N ATOM 1175 CA ARG A 78 7.845 -11.556 0.571 1.00 0.00 C ATOM 1176 C ARG A 78 6.963 -12.745 0.939 1.00 0.00 C ATOM 1177 O ARG A 78 6.230 -12.706 1.927 1.00 0.00 O ATOM 1178 CB ARG A 78 9.051 -11.493 1.510 1.00 0.00 C ATOM 1179 CG ARG A 78 10.381 -11.364 0.786 1.00 0.00 C ATOM 1180 CD ARG A 78 11.022 -12.723 0.551 1.00 0.00 C ATOM 1181 NE ARG A 78 11.838 -13.147 1.686 1.00 0.00 N ATOM 1182 CZ ARG A 78 12.400 -14.347 1.779 1.00 0.00 C ATOM 1183 NH1 ARG A 78 12.236 -15.237 0.810 1.00 0.00 N ATOM 1184 NH2 ARG A 78 13.128 -14.658 2.843 1.00 0.00 N ATOM 0 H ARG A 78 6.922 -9.964 1.577 1.00 0.00 H new ATOM 0 HA ARG A 78 8.196 -11.689 -0.452 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.931 -10.646 2.185 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.068 -12.392 2.126 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.229 -10.862 -0.170 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.056 -10.739 1.371 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.244 -13.464 0.367 1.00 0.00 H new ATOM 0 HD3 ARG A 78 11.641 -12.682 -0.345 1.00 0.00 H new ATOM 0 HE ARG A 78 11.984 -12.486 2.449 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.677 -15.001 -0.010 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.669 -16.158 0.884 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.256 -13.976 3.590 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.559 -15.580 2.914 1.00 0.00 H new ATOM 1198 N GLY A 79 7.038 -13.803 0.137 1.00 0.00 N ATOM 1199 CA GLY A 79 6.240 -14.988 0.394 1.00 0.00 C ATOM 1200 C GLY A 79 5.168 -15.204 -0.655 1.00 0.00 C ATOM 1201 O GLY A 79 4.139 -15.824 -0.383 1.00 0.00 O ATOM 0 H GLY A 79 7.637 -13.861 -0.686 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.892 -15.861 0.428 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.772 -14.901 1.375 1.00 0.00 H new ATOM 1205 N LEU A 80 5.407 -14.691 -1.857 1.00 0.00 N ATOM 1206 CA LEU A 80 4.452 -14.829 -2.952 1.00 0.00 C ATOM 1207 C LEU A 80 4.139 -16.298 -3.218 1.00 0.00 C ATOM 1208 O LEU A 80 4.934 -17.012 -3.832 1.00 0.00 O ATOM 1209 CB LEU A 80 5.002 -14.174 -4.220 1.00 0.00 C ATOM 1210 CG LEU A 80 5.276 -12.673 -4.135 1.00 0.00 C ATOM 1211 CD1 LEU A 80 5.931 -12.176 -5.415 1.00 0.00 C ATOM 1212 CD2 LEU A 80 3.989 -11.910 -3.861 1.00 0.00 C ATOM 0 H LEU A 80 6.254 -14.176 -2.098 1.00 0.00 H new ATOM 0 HA LEU A 80 3.529 -14.326 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.930 -14.678 -4.492 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.295 -14.349 -5.031 1.00 0.00 H new ATOM 0 HG LEU A 80 5.963 -12.495 -3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.118 -11.105 -5.336 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.875 -12.699 -5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.270 -12.367 -6.260 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.204 -10.843 -3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.278 -12.094 -4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.561 -12.245 -2.916 1.00 0.00 H new ATOM 1224 N VAL A 81 2.976 -16.744 -2.756 1.00 0.00 N ATOM 1225 CA VAL A 81 2.556 -18.127 -2.948 1.00 0.00 C ATOM 1226 C VAL A 81 1.167 -18.198 -3.572 1.00 0.00 C ATOM 1227 O VAL A 81 0.895 -19.058 -4.410 1.00 0.00 O ATOM 1228 CB VAL A 81 2.548 -18.901 -1.616 1.00 0.00 C ATOM 1229 CG1 VAL A 81 1.398 -18.437 -0.735 1.00 0.00 C ATOM 1230 CG2 VAL A 81 2.465 -20.398 -1.871 1.00 0.00 C ATOM 0 H VAL A 81 2.307 -16.167 -2.246 1.00 0.00 H new ATOM 0 HA VAL A 81 3.278 -18.586 -3.623 1.00 0.00 H new ATOM 0 HB VAL A 81 3.481 -18.696 -1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.409 -18.995 0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.507 -17.373 -0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.453 -18.610 -1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.460 -20.929 -0.919 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.549 -20.624 -2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.326 -20.715 -2.460 1.00 0.00 H new ATOM 1240 N ALA A 82 0.291 -17.289 -3.159 1.00 0.00 N ATOM 1241 CA ALA A 82 -1.070 -17.246 -3.679 1.00 0.00 C ATOM 1242 C ALA A 82 -1.918 -16.233 -2.919 1.00 0.00 C ATOM 1243 O ALA A 82 -2.852 -15.653 -3.471 1.00 0.00 O ATOM 1244 CB ALA A 82 -1.705 -18.627 -3.609 1.00 0.00 C ATOM 0 H ALA A 82 0.500 -16.571 -2.465 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.024 -16.931 -4.721 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.721 -18.580 -4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.119 -19.328 -4.204 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.731 -18.964 -2.573 1.00 0.00 H new ATOM 1250 N GLU A 83 -1.586 -16.025 -1.648 1.00 0.00 N ATOM 1251 CA GLU A 83 -2.319 -15.082 -0.812 1.00 0.00 C ATOM 1252 C GLU A 83 -1.840 -13.654 -1.054 1.00 0.00 C ATOM 1253 O GLU A 83 -2.614 -12.702 -0.952 1.00 0.00 O ATOM 1254 CB GLU A 83 -2.156 -15.443 0.666 1.00 0.00 C ATOM 1255 CG GLU A 83 -3.079 -16.559 1.125 1.00 0.00 C ATOM 1256 CD GLU A 83 -2.812 -16.986 2.556 1.00 0.00 C ATOM 1257 OE1 GLU A 83 -1.689 -16.747 3.047 1.00 0.00 O ATOM 1258 OE2 GLU A 83 -3.727 -17.559 3.184 1.00 0.00 O ATOM 0 H GLU A 83 -0.815 -16.497 -1.176 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.374 -15.143 -1.079 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.123 -15.740 0.847 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.344 -14.556 1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.114 -16.229 1.035 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.960 -17.418 0.465 1.00 0.00 H new ATOM 1265 N ASP A 84 -0.558 -13.512 -1.374 1.00 0.00 N ATOM 1266 CA ASP A 84 0.026 -12.201 -1.631 1.00 0.00 C ATOM 1267 C ASP A 84 -0.626 -11.544 -2.844 1.00 0.00 C ATOM 1268 O ASP A 84 -0.647 -10.320 -2.962 1.00 0.00 O ATOM 1269 CB ASP A 84 1.534 -12.325 -1.851 1.00 0.00 C ATOM 1270 CG ASP A 84 2.296 -12.502 -0.553 1.00 0.00 C ATOM 1271 OD1 ASP A 84 1.695 -12.293 0.522 1.00 0.00 O ATOM 1272 OD2 ASP A 84 3.494 -12.852 -0.611 1.00 0.00 O ATOM 0 H ASP A 84 0.097 -14.289 -1.462 1.00 0.00 H new ATOM 0 HA ASP A 84 -0.155 -11.573 -0.759 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.734 -13.174 -2.505 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.898 -11.435 -2.364 1.00 0.00 H new ATOM 1277 N ALA A 85 -1.156 -12.368 -3.743 1.00 0.00 N ATOM 1278 CA ALA A 85 -1.808 -11.867 -4.946 1.00 0.00 C ATOM 1279 C ALA A 85 -3.137 -11.197 -4.611 1.00 0.00 C ATOM 1280 O ALA A 85 -3.889 -11.676 -3.763 1.00 0.00 O ATOM 1281 CB ALA A 85 -2.021 -12.998 -5.941 1.00 0.00 C ATOM 0 H ALA A 85 -1.146 -13.385 -3.660 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.157 -11.119 -5.398 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.509 -12.609 -6.835 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.058 -13.430 -6.212 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.649 -13.766 -5.490 1.00 0.00 H new ATOM 1287 N GLY A 86 -3.420 -10.085 -5.283 1.00 0.00 N ATOM 1288 CA GLY A 86 -4.658 -9.367 -5.042 1.00 0.00 C ATOM 1289 C GLY A 86 -4.609 -7.940 -5.549 1.00 0.00 C ATOM 1290 O GLY A 86 -3.743 -7.589 -6.350 1.00 0.00 O ATOM 0 H GLY A 86 -2.814 -9.669 -5.990 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.480 -9.894 -5.527 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.869 -9.362 -3.973 1.00 0.00 H new ATOM 1294 N GLU A 87 -5.542 -7.115 -5.083 1.00 0.00 N ATOM 1295 CA GLU A 87 -5.602 -5.719 -5.498 1.00 0.00 C ATOM 1296 C GLU A 87 -5.132 -4.798 -4.375 1.00 0.00 C ATOM 1297 O GLU A 87 -5.774 -4.700 -3.329 1.00 0.00 O ATOM 1298 CB GLU A 87 -7.026 -5.348 -5.914 1.00 0.00 C ATOM 1299 CG GLU A 87 -7.161 -3.921 -6.418 1.00 0.00 C ATOM 1300 CD GLU A 87 -8.559 -3.607 -6.916 1.00 0.00 C ATOM 1301 OE1 GLU A 87 -9.098 -4.406 -7.711 1.00 0.00 O ATOM 1302 OE2 GLU A 87 -9.114 -2.564 -6.511 1.00 0.00 O ATOM 0 H GLU A 87 -6.266 -7.389 -4.419 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.937 -5.591 -6.352 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.357 -6.033 -6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.692 -5.488 -5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.902 -3.230 -5.616 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.447 -3.755 -7.224 1.00 0.00 H new ATOM 1309 N TYR A 88 -4.009 -4.125 -4.600 1.00 0.00 N ATOM 1310 CA TYR A 88 -3.452 -3.214 -3.608 1.00 0.00 C ATOM 1311 C TYR A 88 -3.969 -1.795 -3.819 1.00 0.00 C ATOM 1312 O TYR A 88 -4.494 -1.465 -4.884 1.00 0.00 O ATOM 1313 CB TYR A 88 -1.924 -3.227 -3.674 1.00 0.00 C ATOM 1314 CG TYR A 88 -1.305 -4.497 -3.134 1.00 0.00 C ATOM 1315 CD1 TYR A 88 -1.198 -5.633 -3.928 1.00 0.00 C ATOM 1316 CD2 TYR A 88 -0.827 -4.561 -1.831 1.00 0.00 C ATOM 1317 CE1 TYR A 88 -0.634 -6.795 -3.438 1.00 0.00 C ATOM 1318 CE2 TYR A 88 -0.260 -5.718 -1.334 1.00 0.00 C ATOM 1319 CZ TYR A 88 -0.166 -6.833 -2.142 1.00 0.00 C ATOM 1320 OH TYR A 88 0.396 -7.988 -1.650 1.00 0.00 O ATOM 0 H TYR A 88 -3.467 -4.193 -5.461 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.770 -3.554 -2.622 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.612 -3.093 -4.710 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.537 -2.377 -3.112 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.562 -5.607 -4.945 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.900 -3.691 -1.196 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.560 -7.670 -4.067 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.108 -5.750 -0.319 1.00 0.00 H new ATOM 0 HH TYR A 88 0.017 -8.761 -2.118 1.00 0.00 H new ATOM 1330 N LEU A 89 -3.816 -0.958 -2.799 1.00 0.00 N ATOM 1331 CA LEU A 89 -4.267 0.428 -2.871 1.00 0.00 C ATOM 1332 C LEU A 89 -3.196 1.376 -2.343 1.00 0.00 C ATOM 1333 O LEU A 89 -2.158 0.941 -1.843 1.00 0.00 O ATOM 1334 CB LEU A 89 -5.560 0.606 -2.075 1.00 0.00 C ATOM 1335 CG LEU A 89 -6.735 1.225 -2.833 1.00 0.00 C ATOM 1336 CD1 LEU A 89 -7.982 0.368 -2.679 1.00 0.00 C ATOM 1337 CD2 LEU A 89 -6.997 2.643 -2.346 1.00 0.00 C ATOM 0 H LEU A 89 -3.383 -1.215 -1.912 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.456 0.669 -3.917 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.869 -0.369 -1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.346 1.228 -1.206 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.477 1.267 -3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.807 0.825 -3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.790 -0.628 -3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.243 0.292 -1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.836 3.068 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.233 2.625 -1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.109 3.254 -2.510 1.00 0.00 H new ATOM 1349 N CYS A 90 -3.456 2.674 -2.454 1.00 0.00 N ATOM 1350 CA CYS A 90 -2.515 3.686 -1.986 1.00 0.00 C ATOM 1351 C CYS A 90 -3.181 5.056 -1.912 1.00 0.00 C ATOM 1352 O CYS A 90 -3.045 5.873 -2.821 1.00 0.00 O ATOM 1353 CB CYS A 90 -1.298 3.747 -2.911 1.00 0.00 C ATOM 1354 SG CYS A 90 0.197 4.388 -2.121 1.00 0.00 S ATOM 0 H CYS A 90 -4.311 3.051 -2.864 1.00 0.00 H new ATOM 0 HA CYS A 90 -2.188 3.407 -0.984 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -1.094 2.746 -3.292 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -1.539 4.373 -3.770 1.00 0.00 H new ATOM 0 HG CYS A 90 0.939 3.396 -1.727 1.00 0.00 H new ATOM 1360 N MET A 91 -3.903 5.298 -0.823 1.00 0.00 N ATOM 1361 CA MET A 91 -4.592 6.569 -0.630 1.00 0.00 C ATOM 1362 C MET A 91 -3.653 7.610 -0.030 1.00 0.00 C ATOM 1363 O MET A 91 -3.265 7.512 1.135 1.00 0.00 O ATOM 1364 CB MET A 91 -5.810 6.382 0.276 1.00 0.00 C ATOM 1365 CG MET A 91 -6.765 5.302 -0.206 1.00 0.00 C ATOM 1366 SD MET A 91 -8.476 5.627 0.263 1.00 0.00 S ATOM 1367 CE MET A 91 -8.747 4.336 1.473 1.00 0.00 C ATOM 0 H MET A 91 -4.026 4.631 -0.061 1.00 0.00 H new ATOM 0 HA MET A 91 -4.925 6.924 -1.605 1.00 0.00 H new ATOM 0 HB2 MET A 91 -5.470 6.133 1.281 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.349 7.327 0.347 1.00 0.00 H new ATOM 0 HG2 MET A 91 -6.699 5.222 -1.291 1.00 0.00 H new ATOM 0 HG3 MET A 91 -6.456 4.340 0.204 1.00 0.00 H new ATOM 0 HE1 MET A 91 -9.765 4.405 1.857 1.00 0.00 H new ATOM 0 HE2 MET A 91 -8.601 3.362 1.005 1.00 0.00 H new ATOM 0 HE3 MET A 91 -8.040 4.453 2.295 1.00 0.00 H new ATOM 1377 N CYS A 92 -3.290 8.606 -0.832 1.00 0.00 N ATOM 1378 CA CYS A 92 -2.395 9.665 -0.379 1.00 0.00 C ATOM 1379 C CYS A 92 -3.169 10.951 -0.108 1.00 0.00 C ATOM 1380 O CYS A 92 -3.523 11.681 -1.032 1.00 0.00 O ATOM 1381 CB CYS A 92 -1.306 9.921 -1.422 1.00 0.00 C ATOM 1382 SG CYS A 92 -0.215 11.307 -1.025 1.00 0.00 S ATOM 0 H CYS A 92 -3.602 8.702 -1.798 1.00 0.00 H new ATOM 0 HA CYS A 92 -1.928 9.340 0.551 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -0.704 9.019 -1.532 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -1.778 10.109 -2.386 1.00 0.00 H new ATOM 0 HG CYS A 92 -0.104 11.416 0.266 1.00 0.00 H new ATOM 1388 N GLY A 93 -3.429 11.221 1.168 1.00 0.00 N ATOM 1389 CA GLY A 93 -4.160 12.419 1.538 1.00 0.00 C ATOM 1390 C GLY A 93 -5.580 12.418 1.008 1.00 0.00 C ATOM 1391 O GLY A 93 -6.491 11.893 1.649 1.00 0.00 O ATOM 0 H GLY A 93 -3.147 10.632 1.951 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.181 12.507 2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.634 13.294 1.157 1.00 0.00 H new ATOM 1395 N LYS A 94 -5.772 13.010 -0.167 1.00 0.00 N ATOM 1396 CA LYS A 94 -7.091 13.076 -0.784 1.00 0.00 C ATOM 1397 C LYS A 94 -7.190 12.110 -1.961 1.00 0.00 C ATOM 1398 O LYS A 94 -8.207 11.441 -2.141 1.00 0.00 O ATOM 1399 CB LYS A 94 -7.384 14.502 -1.255 1.00 0.00 C ATOM 1400 CG LYS A 94 -8.357 15.251 -0.360 1.00 0.00 C ATOM 1401 CD LYS A 94 -8.503 16.702 -0.786 1.00 0.00 C ATOM 1402 CE LYS A 94 -9.442 17.462 0.139 1.00 0.00 C ATOM 1403 NZ LYS A 94 -9.332 18.935 -0.048 1.00 0.00 N ATOM 0 H LYS A 94 -5.030 13.451 -0.711 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.830 12.787 -0.037 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.448 15.058 -1.306 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.788 14.466 -2.267 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.331 14.762 -0.390 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.011 15.207 0.673 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.524 17.182 -0.788 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -8.882 16.746 -1.807 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -10.469 17.148 -0.048 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.215 17.209 1.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.987 19.417 0.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.358 19.239 0.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.573 19.179 -1.030 1.00 0.00 H new ATOM 1417 N GLU A 95 -6.128 12.043 -2.757 1.00 0.00 N ATOM 1418 CA GLU A 95 -6.097 11.158 -3.915 1.00 0.00 C ATOM 1419 C GLU A 95 -5.833 9.716 -3.491 1.00 0.00 C ATOM 1420 O GLU A 95 -5.584 9.438 -2.318 1.00 0.00 O ATOM 1421 CB GLU A 95 -5.024 11.614 -4.906 1.00 0.00 C ATOM 1422 CG GLU A 95 -5.541 12.577 -5.961 1.00 0.00 C ATOM 1423 CD GLU A 95 -6.370 11.886 -7.026 1.00 0.00 C ATOM 1424 OE1 GLU A 95 -7.441 11.343 -6.685 1.00 0.00 O ATOM 1425 OE2 GLU A 95 -5.947 11.888 -8.201 1.00 0.00 O ATOM 0 H GLU A 95 -5.278 12.591 -2.621 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.072 11.204 -4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.213 12.092 -4.356 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.602 10.739 -5.400 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.144 13.348 -5.480 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.697 13.080 -6.433 1.00 0.00 H new ATOM 1432 N ARG A 96 -5.890 8.802 -4.454 1.00 0.00 N ATOM 1433 CA ARG A 96 -5.658 7.389 -4.182 1.00 0.00 C ATOM 1434 C ARG A 96 -5.463 6.609 -5.479 1.00 0.00 C ATOM 1435 O ARG A 96 -6.013 6.968 -6.521 1.00 0.00 O ATOM 1436 CB ARG A 96 -6.830 6.801 -3.393 1.00 0.00 C ATOM 1437 CG ARG A 96 -8.192 7.204 -3.935 1.00 0.00 C ATOM 1438 CD ARG A 96 -9.131 6.011 -4.026 1.00 0.00 C ATOM 1439 NE ARG A 96 -9.275 5.532 -5.397 1.00 0.00 N ATOM 1440 CZ ARG A 96 -10.232 4.697 -5.787 1.00 0.00 C ATOM 1441 NH1 ARG A 96 -11.125 4.252 -4.914 1.00 0.00 N ATOM 1442 NH2 ARG A 96 -10.298 4.306 -7.054 1.00 0.00 N ATOM 0 H ARG A 96 -6.095 9.015 -5.430 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.748 7.304 -3.588 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.753 5.714 -3.400 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.753 7.119 -2.353 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.631 7.965 -3.290 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.074 7.652 -4.922 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.754 5.204 -3.398 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -10.109 6.289 -3.634 1.00 0.00 H new ATOM 0 HE ARG A 96 -8.604 5.856 -6.094 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -11.079 4.551 -3.940 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -11.859 3.611 -5.217 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -9.614 4.647 -7.729 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -11.033 3.665 -7.352 1.00 0.00 H new ATOM 1456 N THR A 97 -4.676 5.540 -5.408 1.00 0.00 N ATOM 1457 CA THR A 97 -4.406 4.711 -6.576 1.00 0.00 C ATOM 1458 C THR A 97 -4.309 3.239 -6.194 1.00 0.00 C ATOM 1459 O THR A 97 -3.692 2.888 -5.189 1.00 0.00 O ATOM 1460 CB THR A 97 -3.102 5.135 -7.277 1.00 0.00 C ATOM 1461 OG1 THR A 97 -2.930 4.388 -8.486 1.00 0.00 O ATOM 1462 CG2 THR A 97 -1.903 4.919 -6.366 1.00 0.00 C ATOM 0 H THR A 97 -4.214 5.228 -4.554 1.00 0.00 H new ATOM 0 HA THR A 97 -5.241 4.851 -7.263 1.00 0.00 H new ATOM 0 HB THR A 97 -3.172 6.197 -7.514 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.737 5.002 -9.225 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.994 5.226 -6.883 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.023 5.513 -5.460 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.832 3.864 -6.102 1.00 0.00 H new ATOM 1470 N SER A 98 -4.922 2.381 -7.004 1.00 0.00 N ATOM 1471 CA SER A 98 -4.906 0.945 -6.748 1.00 0.00 C ATOM 1472 C SER A 98 -4.416 0.180 -7.974 1.00 0.00 C ATOM 1473 O SER A 98 -4.508 0.667 -9.101 1.00 0.00 O ATOM 1474 CB SER A 98 -6.303 0.460 -6.356 1.00 0.00 C ATOM 1475 OG SER A 98 -7.198 1.549 -6.210 1.00 0.00 O ATOM 0 H SER A 98 -5.435 2.655 -7.842 1.00 0.00 H new ATOM 0 HA SER A 98 -4.218 0.756 -5.924 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.680 -0.225 -7.115 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.249 -0.098 -5.421 1.00 0.00 H new ATOM 0 HG SER A 98 -8.084 1.213 -5.961 1.00 0.00 H new ATOM 1481 N ALA A 99 -3.895 -1.020 -7.745 1.00 0.00 N ATOM 1482 CA ALA A 99 -3.392 -1.854 -8.830 1.00 0.00 C ATOM 1483 C ALA A 99 -3.672 -3.329 -8.564 1.00 0.00 C ATOM 1484 O ALA A 99 -4.182 -3.692 -7.505 1.00 0.00 O ATOM 1485 CB ALA A 99 -1.900 -1.625 -9.023 1.00 0.00 C ATOM 0 H ALA A 99 -3.810 -1.437 -6.818 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.914 -1.571 -9.744 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.538 -2.254 -9.836 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.721 -0.578 -9.267 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.371 -1.879 -8.104 1.00 0.00 H new ATOM 1491 N MET A 100 -3.338 -4.174 -9.534 1.00 0.00 N ATOM 1492 CA MET A 100 -3.554 -5.611 -9.403 1.00 0.00 C ATOM 1493 C MET A 100 -2.238 -6.372 -9.530 1.00 0.00 C ATOM 1494 O MET A 100 -1.477 -6.163 -10.475 1.00 0.00 O ATOM 1495 CB MET A 100 -4.542 -6.098 -10.464 1.00 0.00 C ATOM 1496 CG MET A 100 -5.995 -5.817 -10.116 1.00 0.00 C ATOM 1497 SD MET A 100 -7.000 -7.313 -10.068 1.00 0.00 S ATOM 1498 CE MET A 100 -6.537 -7.981 -8.471 1.00 0.00 C ATOM 0 H MET A 100 -2.917 -3.889 -10.418 1.00 0.00 H new ATOM 0 HA MET A 100 -3.970 -5.802 -8.414 1.00 0.00 H new ATOM 0 HB2 MET A 100 -4.306 -5.621 -11.415 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.412 -7.171 -10.605 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.043 -5.321 -9.147 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.413 -5.127 -10.849 1.00 0.00 H new ATOM 0 HE1 MET A 100 -6.099 -8.970 -8.604 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.809 -7.322 -7.998 1.00 0.00 H new ATOM 0 HE3 MET A 100 -7.421 -8.058 -7.838 1.00 0.00 H new ATOM 1508 N LEU A 101 -1.977 -7.255 -8.572 1.00 0.00 N ATOM 1509 CA LEU A 101 -0.752 -8.048 -8.576 1.00 0.00 C ATOM 1510 C LEU A 101 -1.033 -9.481 -9.019 1.00 0.00 C ATOM 1511 O LEU A 101 -2.102 -10.028 -8.747 1.00 0.00 O ATOM 1512 CB LEU A 101 -0.115 -8.047 -7.186 1.00 0.00 C ATOM 1513 CG LEU A 101 1.287 -8.648 -7.089 1.00 0.00 C ATOM 1514 CD1 LEU A 101 2.329 -7.652 -7.575 1.00 0.00 C ATOM 1515 CD2 LEU A 101 1.585 -9.080 -5.660 1.00 0.00 C ATOM 0 H LEU A 101 -2.597 -7.440 -7.783 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.059 -7.597 -9.286 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.073 -7.018 -6.829 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.770 -8.593 -6.508 1.00 0.00 H new ATOM 0 HG LEU A 101 1.329 -9.529 -7.730 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.321 -8.097 -7.499 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.127 -7.392 -8.614 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.287 -6.752 -6.961 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.587 -9.505 -5.610 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.524 -8.216 -4.998 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.857 -9.828 -5.347 1.00 0.00 H new ATOM 1527 N THR A 102 -0.064 -10.085 -9.700 1.00 0.00 N ATOM 1528 CA THR A 102 -0.206 -11.454 -10.179 1.00 0.00 C ATOM 1529 C THR A 102 0.910 -12.343 -9.641 1.00 0.00 C ATOM 1530 O THR A 102 2.052 -11.905 -9.498 1.00 0.00 O ATOM 1531 CB THR A 102 -0.198 -11.514 -11.718 1.00 0.00 C ATOM 1532 OG1 THR A 102 -0.997 -10.454 -12.254 1.00 0.00 O ATOM 1533 CG2 THR A 102 -0.728 -12.853 -12.210 1.00 0.00 C ATOM 0 H THR A 102 0.828 -9.647 -9.932 1.00 0.00 H new ATOM 0 HA THR A 102 -1.166 -11.819 -9.814 1.00 0.00 H new ATOM 0 HB THR A 102 0.831 -11.401 -12.058 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.985 -10.498 -13.233 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.713 -12.872 -13.300 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.101 -13.657 -11.824 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.751 -12.991 -11.859 1.00 0.00 H new ATOM 1541 N VAL A 103 0.573 -13.594 -9.345 1.00 0.00 N ATOM 1542 CA VAL A 103 1.547 -14.546 -8.825 1.00 0.00 C ATOM 1543 C VAL A 103 1.559 -15.827 -9.650 1.00 0.00 C ATOM 1544 O VAL A 103 0.664 -16.664 -9.529 1.00 0.00 O ATOM 1545 CB VAL A 103 1.257 -14.898 -7.354 1.00 0.00 C ATOM 1546 CG1 VAL A 103 2.263 -15.917 -6.840 1.00 0.00 C ATOM 1547 CG2 VAL A 103 1.269 -13.644 -6.493 1.00 0.00 C ATOM 0 H VAL A 103 -0.368 -13.972 -9.457 1.00 0.00 H new ATOM 0 HA VAL A 103 2.524 -14.067 -8.891 1.00 0.00 H new ATOM 0 HB VAL A 103 0.263 -15.342 -7.295 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.042 -16.153 -5.799 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.200 -16.825 -7.440 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.269 -15.504 -6.913 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.062 -13.912 -5.457 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.248 -13.168 -6.556 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.506 -12.952 -6.848 1.00 0.00 H new ATOM 1557 N ARG A 104 2.579 -15.975 -10.490 1.00 0.00 N ATOM 1558 CA ARG A 104 2.707 -17.154 -11.337 1.00 0.00 C ATOM 1559 C ARG A 104 3.010 -18.394 -10.500 1.00 0.00 C ATOM 1560 O ARG A 104 3.073 -18.326 -9.273 1.00 0.00 O ATOM 1561 CB ARG A 104 3.809 -16.945 -12.376 1.00 0.00 C ATOM 1562 CG ARG A 104 3.595 -15.723 -13.254 1.00 0.00 C ATOM 1563 CD ARG A 104 2.360 -15.875 -14.129 1.00 0.00 C ATOM 1564 NE ARG A 104 2.523 -16.929 -15.127 1.00 0.00 N ATOM 1565 CZ ARG A 104 3.334 -16.830 -16.175 1.00 0.00 C ATOM 1566 NH1 ARG A 104 4.051 -15.731 -16.360 1.00 0.00 N ATOM 1567 NH2 ARG A 104 3.428 -17.832 -17.039 1.00 0.00 N ATOM 0 H ARG A 104 3.329 -15.292 -10.602 1.00 0.00 H new ATOM 0 HA ARG A 104 1.758 -17.306 -11.851 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.766 -16.850 -11.864 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.872 -17.830 -13.009 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.492 -14.837 -12.627 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.471 -15.568 -13.883 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.497 -16.100 -13.502 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.152 -14.930 -14.631 1.00 0.00 H new ATOM 0 HE ARG A 104 1.985 -17.788 -15.013 1.00 0.00 H new ATOM 0 HH11 ARG A 104 3.981 -14.959 -15.697 1.00 0.00 H new ATOM 0 HH12 ARG A 104 4.673 -15.657 -17.165 1.00 0.00 H new ATOM 0 HH21 ARG A 104 2.878 -18.679 -16.899 1.00 0.00 H new ATOM 0 HH22 ARG A 104 4.051 -17.755 -17.843 1.00 0.00 H new ATOM 1581 N ALA A 105 3.198 -19.524 -11.173 1.00 0.00 N ATOM 1582 CA ALA A 105 3.496 -20.778 -10.493 1.00 0.00 C ATOM 1583 C ALA A 105 4.946 -21.193 -10.718 1.00 0.00 C ATOM 1584 O ALA A 105 5.467 -21.086 -11.827 1.00 0.00 O ATOM 1585 CB ALA A 105 2.552 -21.873 -10.966 1.00 0.00 C ATOM 0 H ALA A 105 3.149 -19.597 -12.189 1.00 0.00 H new ATOM 0 HA ALA A 105 3.351 -20.626 -9.423 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.787 -22.804 -10.449 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.523 -21.586 -10.748 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.669 -22.015 -12.040 1.00 0.00 H new ATOM 1591 N MET A 106 5.592 -21.668 -9.657 1.00 0.00 N ATOM 1592 CA MET A 106 6.983 -22.099 -9.740 1.00 0.00 C ATOM 1593 C MET A 106 7.173 -23.103 -10.873 1.00 0.00 C ATOM 1594 O MET A 106 6.224 -23.723 -11.351 1.00 0.00 O ATOM 1595 CB MET A 106 7.427 -22.719 -8.414 1.00 0.00 C ATOM 1596 CG MET A 106 8.347 -21.822 -7.602 1.00 0.00 C ATOM 1597 SD MET A 106 9.373 -22.747 -6.443 1.00 0.00 S ATOM 1598 CE MET A 106 8.163 -23.192 -5.200 1.00 0.00 C ATOM 0 H MET A 106 5.175 -21.764 -8.731 1.00 0.00 H new ATOM 0 HA MET A 106 7.598 -21.223 -9.947 1.00 0.00 H new ATOM 0 HB2 MET A 106 6.545 -22.955 -7.819 1.00 0.00 H new ATOM 0 HB3 MET A 106 7.937 -23.661 -8.615 1.00 0.00 H new ATOM 0 HG2 MET A 106 8.989 -21.258 -8.279 1.00 0.00 H new ATOM 0 HG3 MET A 106 7.748 -21.096 -7.052 1.00 0.00 H new ATOM 0 HE1 MET A 106 8.646 -23.770 -4.412 1.00 0.00 H new ATOM 0 HE2 MET A 106 7.730 -22.287 -4.773 1.00 0.00 H new ATOM 0 HE3 MET A 106 7.375 -23.790 -5.657 1.00 0.00 H new ATOM 1608 N PRO A 107 8.430 -23.268 -11.314 1.00 0.00 N ATOM 1609 CA PRO A 107 8.774 -24.196 -12.395 1.00 0.00 C ATOM 1610 C PRO A 107 8.625 -25.655 -11.977 1.00 0.00 C ATOM 1611 O PRO A 107 9.437 -26.178 -11.214 1.00 0.00 O ATOM 1612 CB PRO A 107 10.241 -23.871 -12.688 1.00 0.00 C ATOM 1613 CG PRO A 107 10.763 -23.298 -11.416 1.00 0.00 C ATOM 1614 CD PRO A 107 9.611 -22.562 -10.789 1.00 0.00 C ATOM 0 HA PRO A 107 8.117 -24.079 -13.257 1.00 0.00 H new ATOM 0 HB2 PRO A 107 10.795 -24.765 -12.976 1.00 0.00 H new ATOM 0 HB3 PRO A 107 10.333 -23.160 -13.509 1.00 0.00 H new ATOM 0 HG2 PRO A 107 11.130 -24.084 -10.756 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.599 -22.625 -11.605 1.00 0.00 H new ATOM 0 HD2 PRO A 107 9.653 -22.603 -9.701 1.00 0.00 H new ATOM 0 HD3 PRO A 107 9.607 -21.509 -11.069 1.00 0.00 H new