USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 446 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 57 MET CE :methyl -118:sc= -2.43! (180deg=-5.38!) USER MOD Set 1.2: A 59 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 39 THR OG1 : rot 32:sc= 0.175 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 166:sc= -0.0436 (180deg=-0.286) USER MOD Single : A 31 MET CE :methyl -160:sc= -0.145 (180deg=-0.683) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.022) USER MOD Single : A 41 THR OG1 : rot -62:sc= -0.0793 USER MOD Single : A 46 LYS NZ :NH3+ -162:sc= -0.035 (180deg=-0.513!) USER MOD Single : A 50 LYS NZ :NH3+ -169:sc= -0.0172 (180deg=-0.209) USER MOD Single : A 54 SER OG : rot 180:sc= -0.295 USER MOD Single : A 62 LYS NZ :NH3+ -149:sc= -3.85! (180deg=-5.87!) USER MOD Single : A 65 MET CE :methyl -128:sc= -0.63 (180deg=-6.59!) USER MOD Single : A 72 LYS NZ :NH3+ -108:sc= 0.0313 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.275 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 349 N LEU A 25 4.979 4.460 -1.660 1.00 0.00 N ATOM 350 CA LEU A 25 4.824 5.476 -0.619 1.00 0.00 C ATOM 351 C LEU A 25 5.010 6.890 -1.166 1.00 0.00 C ATOM 352 O LEU A 25 4.546 7.858 -0.566 1.00 0.00 O ATOM 353 CB LEU A 25 5.831 5.226 0.506 1.00 0.00 C ATOM 354 CG LEU A 25 5.788 6.228 1.663 1.00 0.00 C ATOM 355 CD1 LEU A 25 4.467 6.130 2.411 1.00 0.00 C ATOM 356 CD2 LEU A 25 6.958 5.999 2.608 1.00 0.00 C ATOM 0 HA LEU A 25 3.807 5.398 -0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.661 4.227 0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.834 5.232 0.080 1.00 0.00 H new ATOM 0 HG LEU A 25 5.870 7.233 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.458 6.850 3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.645 6.346 1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.350 5.124 2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.912 6.719 3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.906 4.988 3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.895 6.125 2.065 1.00 0.00 H new ATOM 368 N LYS A 26 5.706 7.008 -2.289 1.00 0.00 N ATOM 369 CA LYS A 26 5.962 8.312 -2.886 1.00 0.00 C ATOM 370 C LYS A 26 4.886 8.728 -3.893 1.00 0.00 C ATOM 371 O LYS A 26 4.189 9.722 -3.689 1.00 0.00 O ATOM 372 CB LYS A 26 7.335 8.321 -3.563 1.00 0.00 C ATOM 373 CG LYS A 26 8.489 8.083 -2.599 1.00 0.00 C ATOM 374 CD LYS A 26 9.839 8.199 -3.293 1.00 0.00 C ATOM 375 CE LYS A 26 10.002 7.153 -4.385 1.00 0.00 C ATOM 376 NZ LYS A 26 11.331 7.250 -5.051 1.00 0.00 N ATOM 0 H LYS A 26 6.102 6.221 -2.803 1.00 0.00 H new ATOM 0 HA LYS A 26 5.940 9.039 -2.074 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.355 7.554 -4.337 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.480 9.280 -4.061 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.436 8.805 -1.784 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.393 7.092 -2.154 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.942 9.195 -3.725 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.637 8.086 -2.559 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.882 6.158 -3.956 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.214 7.277 -5.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.404 6.521 -5.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.435 8.191 -5.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.083 7.107 -4.347 1.00 0.00 H new ATOM 390 N GLU A 27 4.793 7.999 -5.002 1.00 0.00 N ATOM 391 CA GLU A 27 3.843 8.337 -6.064 1.00 0.00 C ATOM 392 C GLU A 27 2.459 7.703 -5.897 1.00 0.00 C ATOM 393 O GLU A 27 1.466 8.403 -5.699 1.00 0.00 O ATOM 394 CB GLU A 27 4.422 7.905 -7.410 1.00 0.00 C ATOM 395 CG GLU A 27 3.565 8.300 -8.603 1.00 0.00 C ATOM 396 CD GLU A 27 4.165 7.857 -9.925 1.00 0.00 C ATOM 397 OE1 GLU A 27 5.247 7.233 -9.908 1.00 0.00 O ATOM 398 OE2 GLU A 27 3.551 8.135 -10.977 1.00 0.00 O ATOM 0 H GLU A 27 5.361 7.173 -5.191 1.00 0.00 H new ATOM 0 HA GLU A 27 3.699 9.416 -6.009 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.413 8.343 -7.526 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.550 6.823 -7.409 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.573 7.862 -8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.437 9.382 -8.611 1.00 0.00 H new ATOM 405 N LEU A 28 2.396 6.384 -6.042 1.00 0.00 N ATOM 406 CA LEU A 28 1.128 5.656 -5.976 1.00 0.00 C ATOM 407 C LEU A 28 0.468 5.692 -4.601 1.00 0.00 C ATOM 408 O LEU A 28 -0.608 6.269 -4.441 1.00 0.00 O ATOM 409 CB LEU A 28 1.338 4.200 -6.398 1.00 0.00 C ATOM 410 CG LEU A 28 1.812 3.997 -7.840 1.00 0.00 C ATOM 411 CD1 LEU A 28 2.003 2.517 -8.133 1.00 0.00 C ATOM 412 CD2 LEU A 28 0.824 4.611 -8.821 1.00 0.00 C ATOM 0 H LEU A 28 3.210 5.792 -6.207 1.00 0.00 H new ATOM 0 HA LEU A 28 0.452 6.165 -6.663 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.067 3.746 -5.726 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.400 3.661 -6.262 1.00 0.00 H new ATOM 0 HG LEU A 28 2.771 4.500 -7.960 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.340 2.390 -9.162 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.749 2.105 -7.453 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.057 1.994 -7.994 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.179 4.456 -9.840 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.150 4.138 -8.700 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.735 5.680 -8.627 1.00 0.00 H new ATOM 424 N PHE A 29 1.091 5.032 -3.630 1.00 0.00 N ATOM 425 CA PHE A 29 0.548 4.938 -2.276 1.00 0.00 C ATOM 426 C PHE A 29 -0.126 6.233 -1.820 1.00 0.00 C ATOM 427 O PHE A 29 -1.259 6.207 -1.341 1.00 0.00 O ATOM 428 CB PHE A 29 1.645 4.537 -1.293 1.00 0.00 C ATOM 429 CG PHE A 29 1.120 4.016 0.013 1.00 0.00 C ATOM 430 CD1 PHE A 29 -0.026 3.238 0.053 1.00 0.00 C ATOM 431 CD2 PHE A 29 1.773 4.300 1.198 1.00 0.00 C ATOM 432 CE1 PHE A 29 -0.511 2.754 1.249 1.00 0.00 C ATOM 433 CE2 PHE A 29 1.294 3.818 2.399 1.00 0.00 C ATOM 434 CZ PHE A 29 0.150 3.044 2.426 1.00 0.00 C ATOM 0 H PHE A 29 1.981 4.550 -3.756 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.223 4.168 -2.295 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.273 3.774 -1.753 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.282 5.400 -1.101 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.546 3.008 -0.865 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.667 4.905 1.184 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.406 2.149 1.265 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.814 4.046 3.318 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.226 2.667 3.365 1.00 0.00 H new ATOM 444 N LYS A 30 0.563 7.360 -1.968 1.00 0.00 N ATOM 445 CA LYS A 30 0.002 8.648 -1.564 1.00 0.00 C ATOM 446 C LYS A 30 -1.245 8.978 -2.377 1.00 0.00 C ATOM 447 O LYS A 30 -2.263 9.402 -1.830 1.00 0.00 O ATOM 448 CB LYS A 30 1.036 9.764 -1.722 1.00 0.00 C ATOM 449 CG LYS A 30 2.203 9.653 -0.754 1.00 0.00 C ATOM 450 CD LYS A 30 3.202 10.784 -0.943 1.00 0.00 C ATOM 451 CE LYS A 30 2.584 12.139 -0.637 1.00 0.00 C ATOM 452 NZ LYS A 30 2.083 12.219 0.764 1.00 0.00 N ATOM 0 H LYS A 30 1.503 7.410 -2.361 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.277 8.573 -0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.419 9.752 -2.743 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.545 10.726 -1.577 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.829 9.666 0.270 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.705 8.696 -0.898 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.062 10.622 -0.294 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.571 10.776 -1.969 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.325 12.921 -0.803 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.762 12.327 -1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.890 13.211 1.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.208 11.664 0.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.801 11.837 1.412 1.00 0.00 H new ATOM 466 N MET A 31 -1.155 8.780 -3.687 1.00 0.00 N ATOM 467 CA MET A 31 -2.269 9.053 -4.588 1.00 0.00 C ATOM 468 C MET A 31 -3.455 8.132 -4.302 1.00 0.00 C ATOM 469 O MET A 31 -4.571 8.384 -4.758 1.00 0.00 O ATOM 470 CB MET A 31 -1.818 8.893 -6.044 1.00 0.00 C ATOM 471 CG MET A 31 -2.914 9.170 -7.062 1.00 0.00 C ATOM 472 SD MET A 31 -2.345 8.992 -8.765 1.00 0.00 S ATOM 473 CE MET A 31 -1.088 10.266 -8.841 1.00 0.00 C ATOM 0 H MET A 31 -0.317 8.429 -4.151 1.00 0.00 H new ATOM 0 HA MET A 31 -2.593 10.080 -4.421 1.00 0.00 H new ATOM 0 HB2 MET A 31 -0.982 9.567 -6.232 1.00 0.00 H new ATOM 0 HB3 MET A 31 -1.448 7.878 -6.190 1.00 0.00 H new ATOM 0 HG2 MET A 31 -3.746 8.488 -6.888 1.00 0.00 H new ATOM 0 HG3 MET A 31 -3.294 10.181 -6.914 1.00 0.00 H new ATOM 0 HE1 MET A 31 -0.896 10.526 -9.882 1.00 0.00 H new ATOM 0 HE2 MET A 31 -1.432 11.149 -8.303 1.00 0.00 H new ATOM 0 HE3 MET A 31 -0.169 9.898 -8.384 1.00 0.00 H new ATOM 483 N ILE A 32 -3.212 7.063 -3.548 1.00 0.00 N ATOM 484 CA ILE A 32 -4.268 6.115 -3.215 1.00 0.00 C ATOM 485 C ILE A 32 -4.921 6.480 -1.891 1.00 0.00 C ATOM 486 O ILE A 32 -6.146 6.521 -1.777 1.00 0.00 O ATOM 487 CB ILE A 32 -3.731 4.672 -3.138 1.00 0.00 C ATOM 488 CG1 ILE A 32 -3.075 4.279 -4.465 1.00 0.00 C ATOM 489 CG2 ILE A 32 -4.857 3.708 -2.789 1.00 0.00 C ATOM 490 CD1 ILE A 32 -2.465 2.892 -4.457 1.00 0.00 C ATOM 0 H ILE A 32 -2.298 6.833 -3.158 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.009 6.168 -4.012 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.977 4.619 -2.352 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.820 4.334 -5.259 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.299 5.006 -4.706 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.464 2.693 -2.738 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.284 3.981 -1.824 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.631 3.759 -3.555 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.020 2.685 -5.430 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.696 2.837 -3.687 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.240 2.155 -4.248 1.00 0.00 H new ATOM 502 N ASP A 33 -4.088 6.745 -0.894 1.00 0.00 N ATOM 503 CA ASP A 33 -4.570 7.110 0.426 1.00 0.00 C ATOM 504 C ASP A 33 -5.309 8.439 0.377 1.00 0.00 C ATOM 505 O ASP A 33 -4.702 9.487 0.152 1.00 0.00 O ATOM 506 CB ASP A 33 -3.399 7.206 1.409 1.00 0.00 C ATOM 507 CG ASP A 33 -3.852 7.447 2.838 1.00 0.00 C ATOM 508 OD1 ASP A 33 -5.072 7.383 3.096 1.00 0.00 O ATOM 509 OD2 ASP A 33 -2.983 7.687 3.703 1.00 0.00 O ATOM 0 H ASP A 33 -3.072 6.713 -0.977 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.260 6.337 0.764 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.818 6.285 1.367 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.737 8.015 1.101 1.00 0.00 H new ATOM 514 N THR A 34 -6.618 8.396 0.602 1.00 0.00 N ATOM 515 CA THR A 34 -7.426 9.608 0.598 1.00 0.00 C ATOM 516 C THR A 34 -6.944 10.541 1.703 1.00 0.00 C ATOM 517 O THR A 34 -7.338 11.706 1.777 1.00 0.00 O ATOM 518 CB THR A 34 -8.905 9.264 0.798 1.00 0.00 C ATOM 519 OG1 THR A 34 -9.345 8.353 -0.194 1.00 0.00 O ATOM 520 CG2 THR A 34 -9.819 10.470 0.745 1.00 0.00 C ATOM 0 H THR A 34 -7.139 7.539 0.788 1.00 0.00 H new ATOM 0 HA THR A 34 -7.320 10.107 -0.365 1.00 0.00 H new ATOM 0 HB THR A 34 -8.964 8.828 1.795 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.291 8.144 -0.049 1.00 0.00 H new ATOM 0 HG21 THR A 34 -10.851 10.151 0.894 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.539 11.173 1.529 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.726 10.955 -0.227 1.00 0.00 H new ATOM 528 N ASP A 35 -6.079 10.006 2.559 1.00 0.00 N ATOM 529 CA ASP A 35 -5.520 10.758 3.670 1.00 0.00 C ATOM 530 C ASP A 35 -4.154 11.322 3.305 1.00 0.00 C ATOM 531 O ASP A 35 -3.715 12.320 3.879 1.00 0.00 O ATOM 532 CB ASP A 35 -5.399 9.859 4.900 1.00 0.00 C ATOM 533 CG ASP A 35 -5.215 10.640 6.186 1.00 0.00 C ATOM 534 OD1 ASP A 35 -4.316 11.503 6.237 1.00 0.00 O ATOM 535 OD2 ASP A 35 -5.968 10.379 7.147 1.00 0.00 O ATOM 0 H ASP A 35 -5.749 9.043 2.500 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.189 11.589 3.895 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.293 9.241 4.981 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.555 9.183 4.768 1.00 0.00 H new ATOM 540 N ASN A 36 -3.478 10.677 2.353 1.00 0.00 N ATOM 541 CA ASN A 36 -2.158 11.121 1.931 1.00 0.00 C ATOM 542 C ASN A 36 -1.217 11.191 3.129 1.00 0.00 C ATOM 543 O ASN A 36 -0.179 11.851 3.079 1.00 0.00 O ATOM 544 CB ASN A 36 -2.244 12.490 1.252 1.00 0.00 C ATOM 545 CG ASN A 36 -3.193 12.492 0.069 1.00 0.00 C ATOM 546 OD1 ASN A 36 -3.002 11.754 -0.896 1.00 0.00 O ATOM 547 ND2 ASN A 36 -4.223 13.328 0.139 1.00 0.00 N ATOM 0 H ASN A 36 -3.824 9.851 1.865 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.765 10.400 1.214 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.573 13.233 1.979 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.251 12.789 0.918 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.894 13.376 -0.627 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.343 13.922 0.959 1.00 0.00 H new ATOM 554 N SER A 37 -1.588 10.502 4.209 1.00 0.00 N ATOM 555 CA SER A 37 -0.774 10.486 5.419 1.00 0.00 C ATOM 556 C SER A 37 0.240 9.358 5.351 1.00 0.00 C ATOM 557 O SER A 37 1.253 9.369 6.051 1.00 0.00 O ATOM 558 CB SER A 37 -1.654 10.321 6.660 1.00 0.00 C ATOM 559 OG SER A 37 -2.388 9.110 6.608 1.00 0.00 O ATOM 0 H SER A 37 -2.444 9.951 4.268 1.00 0.00 H new ATOM 0 HA SER A 37 -0.247 11.437 5.491 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.032 10.335 7.555 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.341 11.163 6.737 1.00 0.00 H new ATOM 0 HG SER A 37 -2.941 9.028 7.413 1.00 0.00 H new ATOM 565 N GLY A 38 -0.046 8.386 4.496 1.00 0.00 N ATOM 566 CA GLY A 38 0.847 7.253 4.338 1.00 0.00 C ATOM 567 C GLY A 38 0.250 5.964 4.863 1.00 0.00 C ATOM 568 O GLY A 38 0.951 4.964 5.016 1.00 0.00 O ATOM 0 H GLY A 38 -0.880 8.361 3.909 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.092 7.132 3.283 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.782 7.456 4.861 1.00 0.00 H new ATOM 572 N THR A 39 -1.050 5.988 5.129 1.00 0.00 N ATOM 573 CA THR A 39 -1.757 4.814 5.628 1.00 0.00 C ATOM 574 C THR A 39 -3.213 4.852 5.182 1.00 0.00 C ATOM 575 O THR A 39 -3.890 5.866 5.342 1.00 0.00 O ATOM 576 CB THR A 39 -1.687 4.752 7.157 1.00 0.00 C ATOM 577 OG1 THR A 39 -2.214 5.934 7.730 1.00 0.00 O ATOM 578 CG2 THR A 39 -0.284 4.565 7.695 1.00 0.00 C ATOM 0 H THR A 39 -1.639 6.812 5.007 1.00 0.00 H new ATOM 0 HA THR A 39 -1.278 3.925 5.219 1.00 0.00 H new ATOM 0 HB THR A 39 -2.278 3.879 7.433 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.929 6.284 7.158 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.314 4.530 8.784 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.131 3.632 7.313 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.342 5.398 7.375 1.00 0.00 H new ATOM 586 N ILE A 40 -3.694 3.747 4.624 1.00 0.00 N ATOM 587 CA ILE A 40 -5.071 3.675 4.160 1.00 0.00 C ATOM 588 C ILE A 40 -5.924 2.836 5.102 1.00 0.00 C ATOM 589 O ILE A 40 -5.485 1.797 5.591 1.00 0.00 O ATOM 590 CB ILE A 40 -5.149 3.070 2.745 1.00 0.00 C ATOM 591 CG1 ILE A 40 -4.480 3.995 1.734 1.00 0.00 C ATOM 592 CG2 ILE A 40 -6.597 2.813 2.348 1.00 0.00 C ATOM 593 CD1 ILE A 40 -4.218 3.333 0.402 1.00 0.00 C ATOM 0 H ILE A 40 -3.153 2.894 4.483 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.454 4.695 4.138 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.620 2.117 2.751 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.111 4.870 1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.536 4.352 2.147 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.629 2.386 1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.050 2.117 3.054 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.150 3.752 2.360 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.741 4.046 -0.271 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.562 2.474 0.545 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.162 3.001 -0.031 1.00 0.00 H new ATOM 605 N THR A 41 -7.150 3.286 5.340 1.00 0.00 N ATOM 606 CA THR A 41 -8.069 2.566 6.209 1.00 0.00 C ATOM 607 C THR A 41 -9.407 2.373 5.509 1.00 0.00 C ATOM 608 O THR A 41 -9.846 3.249 4.780 1.00 0.00 O ATOM 609 CB THR A 41 -8.269 3.326 7.521 1.00 0.00 C ATOM 610 OG1 THR A 41 -8.819 4.609 7.278 1.00 0.00 O ATOM 611 CG2 THR A 41 -6.990 3.517 8.305 1.00 0.00 C ATOM 0 H THR A 41 -7.529 4.146 4.943 1.00 0.00 H new ATOM 0 HA THR A 41 -7.642 1.589 6.434 1.00 0.00 H new ATOM 0 HB THR A 41 -8.948 2.709 8.110 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.194 5.136 6.737 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.204 4.063 9.224 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.566 2.544 8.552 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.276 4.082 7.705 1.00 0.00 H new ATOM 619 N PHE A 42 -10.033 1.220 5.731 1.00 0.00 N ATOM 620 CA PHE A 42 -11.318 0.885 5.131 1.00 0.00 C ATOM 621 C PHE A 42 -12.230 2.104 4.999 1.00 0.00 C ATOM 622 O PHE A 42 -12.731 2.393 3.912 1.00 0.00 O ATOM 623 CB PHE A 42 -12.005 -0.190 5.972 1.00 0.00 C ATOM 624 CG PHE A 42 -13.369 -0.558 5.478 1.00 0.00 C ATOM 625 CD1 PHE A 42 -13.580 -0.839 4.140 1.00 0.00 C ATOM 626 CD2 PHE A 42 -14.439 -0.621 6.351 1.00 0.00 C ATOM 627 CE1 PHE A 42 -14.834 -1.176 3.681 1.00 0.00 C ATOM 628 CE2 PHE A 42 -15.698 -0.957 5.899 1.00 0.00 C ATOM 629 CZ PHE A 42 -15.897 -1.235 4.560 1.00 0.00 C ATOM 0 H PHE A 42 -9.659 0.489 6.336 1.00 0.00 H new ATOM 0 HA PHE A 42 -11.129 0.512 4.124 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -11.380 -1.083 5.986 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -12.083 0.161 7.001 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -12.752 -0.794 3.448 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -14.287 -0.405 7.398 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -14.986 -1.394 2.634 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -16.527 -1.003 6.590 1.00 0.00 H new ATOM 0 HZ PHE A 42 -16.882 -1.498 4.202 1.00 0.00 H new ATOM 639 N ASP A 43 -12.444 2.811 6.108 1.00 0.00 N ATOM 640 CA ASP A 43 -13.298 3.997 6.104 1.00 0.00 C ATOM 641 C ASP A 43 -12.943 4.904 4.931 1.00 0.00 C ATOM 642 O ASP A 43 -13.818 5.468 4.275 1.00 0.00 O ATOM 643 CB ASP A 43 -13.154 4.762 7.421 1.00 0.00 C ATOM 644 CG ASP A 43 -14.038 5.993 7.473 1.00 0.00 C ATOM 645 OD1 ASP A 43 -15.273 5.841 7.372 1.00 0.00 O ATOM 646 OD2 ASP A 43 -13.494 7.109 7.613 1.00 0.00 O ATOM 0 H ASP A 43 -12.040 2.584 7.017 1.00 0.00 H new ATOM 0 HA ASP A 43 -14.334 3.675 5.997 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -13.406 4.102 8.251 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.114 5.059 7.554 1.00 0.00 H new ATOM 651 N GLU A 44 -11.646 5.026 4.675 1.00 0.00 N ATOM 652 CA GLU A 44 -11.143 5.847 3.583 1.00 0.00 C ATOM 653 C GLU A 44 -11.090 5.046 2.283 1.00 0.00 C ATOM 654 O GLU A 44 -11.242 5.602 1.195 1.00 0.00 O ATOM 655 CB GLU A 44 -9.744 6.366 3.922 1.00 0.00 C ATOM 656 CG GLU A 44 -9.659 7.042 5.281 1.00 0.00 C ATOM 657 CD GLU A 44 -8.272 7.570 5.587 1.00 0.00 C ATOM 658 OE1 GLU A 44 -7.319 6.763 5.609 1.00 0.00 O ATOM 659 OE2 GLU A 44 -8.138 8.792 5.808 1.00 0.00 O ATOM 0 H GLU A 44 -10.917 4.561 5.216 1.00 0.00 H new ATOM 0 HA GLU A 44 -11.822 6.689 3.447 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.040 5.534 3.895 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.432 7.073 3.153 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.373 7.865 5.318 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.951 6.332 6.054 1.00 0.00 H new ATOM 666 N LEU A 45 -10.862 3.738 2.408 1.00 0.00 N ATOM 667 CA LEU A 45 -10.774 2.857 1.251 1.00 0.00 C ATOM 668 C LEU A 45 -11.987 3.021 0.342 1.00 0.00 C ATOM 669 O LEU A 45 -11.850 3.322 -0.843 1.00 0.00 O ATOM 670 CB LEU A 45 -10.652 1.394 1.684 1.00 0.00 C ATOM 671 CG LEU A 45 -10.477 0.404 0.530 1.00 0.00 C ATOM 672 CD1 LEU A 45 -9.182 0.680 -0.220 1.00 0.00 C ATOM 673 CD2 LEU A 45 -10.502 -1.025 1.043 1.00 0.00 C ATOM 0 H LEU A 45 -10.735 3.267 3.304 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.879 3.138 0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.803 1.298 2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.543 1.120 2.249 1.00 0.00 H new ATOM 0 HG LEU A 45 -11.309 0.534 -0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.075 -0.034 -1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.204 1.692 -0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.338 0.580 0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.376 -1.714 0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.692 -1.169 1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.456 -1.219 1.533 1.00 0.00 H new ATOM 685 N LYS A 46 -13.172 2.812 0.911 1.00 0.00 N ATOM 686 CA LYS A 46 -14.419 2.928 0.166 1.00 0.00 C ATOM 687 C LYS A 46 -14.502 4.256 -0.577 1.00 0.00 C ATOM 688 O LYS A 46 -14.919 4.295 -1.728 1.00 0.00 O ATOM 689 CB LYS A 46 -15.617 2.783 1.110 1.00 0.00 C ATOM 690 CG LYS A 46 -15.634 3.801 2.241 1.00 0.00 C ATOM 691 CD LYS A 46 -16.873 3.654 3.113 1.00 0.00 C ATOM 692 CE LYS A 46 -16.919 2.299 3.806 1.00 0.00 C ATOM 693 NZ LYS A 46 -15.745 2.087 4.696 1.00 0.00 N ATOM 0 H LYS A 46 -13.293 2.560 1.892 1.00 0.00 H new ATOM 0 HA LYS A 46 -14.441 2.125 -0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.536 2.880 0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -15.612 1.780 1.536 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -14.741 3.679 2.854 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -15.599 4.808 1.825 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -16.886 4.446 3.862 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -17.766 3.779 2.500 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -17.836 2.222 4.391 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -16.952 1.509 3.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -15.646 1.073 4.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -14.884 2.428 4.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -15.883 2.611 5.583 1.00 0.00 H new ATOM 707 N ASP A 47 -14.103 5.338 0.089 1.00 0.00 N ATOM 708 CA ASP A 47 -14.135 6.676 -0.503 1.00 0.00 C ATOM 709 C ASP A 47 -13.481 6.702 -1.885 1.00 0.00 C ATOM 710 O ASP A 47 -13.682 7.640 -2.657 1.00 0.00 O ATOM 711 CB ASP A 47 -13.435 7.677 0.419 1.00 0.00 C ATOM 712 CG ASP A 47 -14.099 7.780 1.779 1.00 0.00 C ATOM 713 OD1 ASP A 47 -15.104 7.073 2.007 1.00 0.00 O ATOM 714 OD2 ASP A 47 -13.615 8.569 2.618 1.00 0.00 O ATOM 0 H ASP A 47 -13.751 5.314 1.046 1.00 0.00 H new ATOM 0 HA ASP A 47 -15.182 6.957 -0.622 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.394 7.380 0.548 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.430 8.659 -0.054 1.00 0.00 H new ATOM 719 N GLY A 48 -12.703 5.669 -2.192 1.00 0.00 N ATOM 720 CA GLY A 48 -12.040 5.597 -3.480 1.00 0.00 C ATOM 721 C GLY A 48 -13.003 5.253 -4.598 1.00 0.00 C ATOM 722 O GLY A 48 -13.145 6.008 -5.560 1.00 0.00 O ATOM 0 H GLY A 48 -12.520 4.881 -1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.562 6.553 -3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.250 4.847 -3.439 1.00 0.00 H new ATOM 726 N LEU A 49 -13.671 4.112 -4.464 1.00 0.00 N ATOM 727 CA LEU A 49 -14.636 3.665 -5.461 1.00 0.00 C ATOM 728 C LEU A 49 -16.016 4.239 -5.163 1.00 0.00 C ATOM 729 O LEU A 49 -16.917 4.187 -6.001 1.00 0.00 O ATOM 730 CB LEU A 49 -14.703 2.133 -5.502 1.00 0.00 C ATOM 731 CG LEU A 49 -13.454 1.426 -6.044 1.00 0.00 C ATOM 732 CD1 LEU A 49 -13.132 1.909 -7.450 1.00 0.00 C ATOM 733 CD2 LEU A 49 -12.264 1.641 -5.118 1.00 0.00 C ATOM 0 H LEU A 49 -13.561 3.479 -3.672 1.00 0.00 H new ATOM 0 HA LEU A 49 -14.308 4.026 -6.436 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -14.895 1.769 -4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.557 1.841 -6.113 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.662 0.357 -6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -12.243 1.396 -7.816 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -13.973 1.695 -8.110 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -12.949 2.983 -7.433 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.391 1.130 -5.523 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -12.055 2.708 -5.036 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.494 1.239 -4.131 1.00 0.00 H new ATOM 745 N LYS A 50 -16.171 4.792 -3.963 1.00 0.00 N ATOM 746 CA LYS A 50 -17.438 5.384 -3.550 1.00 0.00 C ATOM 747 C LYS A 50 -17.701 6.671 -4.318 1.00 0.00 C ATOM 748 O LYS A 50 -18.753 6.835 -4.937 1.00 0.00 O ATOM 749 CB LYS A 50 -17.441 5.668 -2.045 1.00 0.00 C ATOM 750 CG LYS A 50 -18.712 6.345 -1.551 1.00 0.00 C ATOM 751 CD LYS A 50 -19.941 5.484 -1.799 1.00 0.00 C ATOM 752 CE LYS A 50 -21.214 6.189 -1.359 1.00 0.00 C ATOM 753 NZ LYS A 50 -21.192 6.526 0.092 1.00 0.00 N ATOM 0 H LYS A 50 -15.434 4.842 -3.260 1.00 0.00 H new ATOM 0 HA LYS A 50 -18.231 4.670 -3.772 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -17.308 4.729 -1.507 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -16.586 6.299 -1.802 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.623 6.553 -0.485 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -18.832 7.304 -2.054 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -20.007 5.240 -2.859 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -19.841 4.542 -1.260 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -21.343 7.101 -1.941 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -22.073 5.552 -1.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -22.140 6.832 0.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -20.910 5.687 0.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -20.511 7.294 0.260 1.00 0.00 H new ATOM 767 N ARG A 51 -16.734 7.581 -4.273 1.00 0.00 N ATOM 768 CA ARG A 51 -16.854 8.857 -4.967 1.00 0.00 C ATOM 769 C ARG A 51 -17.029 8.637 -6.467 1.00 0.00 C ATOM 770 O ARG A 51 -17.473 9.531 -7.189 1.00 0.00 O ATOM 771 CB ARG A 51 -15.621 9.724 -4.698 1.00 0.00 C ATOM 772 CG ARG A 51 -15.711 11.118 -5.298 1.00 0.00 C ATOM 773 CD ARG A 51 -14.498 11.961 -4.936 1.00 0.00 C ATOM 774 NE ARG A 51 -14.363 12.133 -3.492 1.00 0.00 N ATOM 775 CZ ARG A 51 -13.400 12.850 -2.919 1.00 0.00 C ATOM 776 NH1 ARG A 51 -12.492 13.467 -3.665 1.00 0.00 N ATOM 777 NH2 ARG A 51 -13.345 12.953 -1.598 1.00 0.00 N ATOM 0 H ARG A 51 -15.859 7.458 -3.763 1.00 0.00 H new ATOM 0 HA ARG A 51 -17.736 9.374 -4.589 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -15.476 9.810 -3.621 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.740 9.222 -5.099 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.793 11.044 -6.382 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -16.616 11.610 -4.943 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.598 11.490 -5.331 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -14.581 12.938 -5.411 1.00 0.00 H new ATOM 0 HE ARG A 51 -15.047 11.677 -2.888 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.531 13.392 -4.682 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.755 14.016 -3.222 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -14.041 12.482 -1.020 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.606 13.503 -1.160 1.00 0.00 H new ATOM 791 N VAL A 52 -16.684 7.437 -6.927 1.00 0.00 N ATOM 792 CA VAL A 52 -16.808 7.094 -8.339 1.00 0.00 C ATOM 793 C VAL A 52 -18.275 6.970 -8.740 1.00 0.00 C ATOM 794 O VAL A 52 -18.645 7.273 -9.875 1.00 0.00 O ATOM 795 CB VAL A 52 -16.083 5.771 -8.655 1.00 0.00 C ATOM 796 CG1 VAL A 52 -16.216 5.420 -10.129 1.00 0.00 C ATOM 797 CG2 VAL A 52 -14.619 5.856 -8.253 1.00 0.00 C ATOM 0 H VAL A 52 -16.317 6.687 -6.342 1.00 0.00 H new ATOM 0 HA VAL A 52 -16.344 7.898 -8.910 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.553 4.977 -8.075 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -15.697 4.483 -10.328 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -17.270 5.312 -10.384 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -15.777 6.214 -10.733 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -14.123 4.913 -8.483 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -14.137 6.664 -8.804 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -14.546 6.052 -7.183 1.00 0.00 H new ATOM 807 N GLY A 53 -19.105 6.535 -7.793 1.00 0.00 N ATOM 808 CA GLY A 53 -20.528 6.385 -8.047 1.00 0.00 C ATOM 809 C GLY A 53 -20.831 5.721 -9.378 1.00 0.00 C ATOM 810 O GLY A 53 -21.657 6.213 -10.146 1.00 0.00 O ATOM 0 H GLY A 53 -18.814 6.283 -6.849 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -20.974 5.797 -7.245 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -21.000 7.367 -8.022 1.00 0.00 H new ATOM 814 N SER A 54 -20.163 4.604 -9.655 1.00 0.00 N ATOM 815 CA SER A 54 -20.376 3.886 -10.906 1.00 0.00 C ATOM 816 C SER A 54 -21.465 2.827 -10.746 1.00 0.00 C ATOM 817 O SER A 54 -22.654 3.127 -10.854 1.00 0.00 O ATOM 818 CB SER A 54 -19.070 3.240 -11.376 1.00 0.00 C ATOM 819 OG SER A 54 -19.247 2.575 -12.615 1.00 0.00 O ATOM 0 H SER A 54 -19.474 4.180 -9.034 1.00 0.00 H new ATOM 0 HA SER A 54 -20.705 4.602 -11.660 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.299 4.003 -11.476 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.721 2.531 -10.626 1.00 0.00 H new ATOM 0 HG SER A 54 -18.398 2.172 -12.894 1.00 0.00 H new ATOM 825 N GLU A 55 -21.054 1.590 -10.479 1.00 0.00 N ATOM 826 CA GLU A 55 -21.996 0.491 -10.296 1.00 0.00 C ATOM 827 C GLU A 55 -21.445 -0.519 -9.294 1.00 0.00 C ATOM 828 O GLU A 55 -21.824 -1.690 -9.302 1.00 0.00 O ATOM 829 CB GLU A 55 -22.295 -0.200 -11.634 1.00 0.00 C ATOM 830 CG GLU A 55 -21.167 -1.079 -12.165 1.00 0.00 C ATOM 831 CD GLU A 55 -19.888 -0.314 -12.454 1.00 0.00 C ATOM 832 OE1 GLU A 55 -19.218 0.113 -11.492 1.00 0.00 O ATOM 833 OE2 GLU A 55 -19.559 -0.142 -13.646 1.00 0.00 O ATOM 0 H GLU A 55 -20.074 1.324 -10.385 1.00 0.00 H new ATOM 0 HA GLU A 55 -22.927 0.902 -9.906 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -23.190 -0.811 -11.519 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -22.523 0.563 -12.378 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -20.955 -1.863 -11.438 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -21.500 -1.572 -13.078 1.00 0.00 H new ATOM 840 N LEU A 56 -20.545 -0.052 -8.434 1.00 0.00 N ATOM 841 CA LEU A 56 -19.932 -0.907 -7.426 1.00 0.00 C ATOM 842 C LEU A 56 -20.715 -0.895 -6.126 1.00 0.00 C ATOM 843 O LEU A 56 -21.489 0.022 -5.855 1.00 0.00 O ATOM 844 CB LEU A 56 -18.494 -0.467 -7.152 1.00 0.00 C ATOM 845 CG LEU A 56 -17.493 -0.773 -8.268 1.00 0.00 C ATOM 846 CD1 LEU A 56 -16.122 -0.215 -7.919 1.00 0.00 C ATOM 847 CD2 LEU A 56 -17.409 -2.272 -8.516 1.00 0.00 C ATOM 0 H LEU A 56 -20.224 0.916 -8.416 1.00 0.00 H new ATOM 0 HA LEU A 56 -19.937 -1.923 -7.822 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -18.489 0.607 -6.966 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -18.152 -0.950 -6.237 1.00 0.00 H new ATOM 0 HG LEU A 56 -17.841 -0.292 -9.183 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -15.422 -0.441 -8.723 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -16.191 0.865 -7.791 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -15.770 -0.669 -6.993 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -16.692 -2.469 -9.313 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -17.085 -2.774 -7.604 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -18.389 -2.648 -8.809 1.00 0.00 H new ATOM 859 N MET A 57 -20.487 -1.923 -5.320 1.00 0.00 N ATOM 860 CA MET A 57 -21.145 -2.046 -4.033 1.00 0.00 C ATOM 861 C MET A 57 -20.115 -2.011 -2.911 1.00 0.00 C ATOM 862 O MET A 57 -19.153 -2.778 -2.910 1.00 0.00 O ATOM 863 CB MET A 57 -21.968 -3.337 -3.974 1.00 0.00 C ATOM 864 CG MET A 57 -21.154 -4.601 -4.204 1.00 0.00 C ATOM 865 SD MET A 57 -22.185 -6.071 -4.377 1.00 0.00 S ATOM 866 CE MET A 57 -23.115 -6.026 -2.846 1.00 0.00 C ATOM 0 H MET A 57 -19.847 -2.686 -5.539 1.00 0.00 H new ATOM 0 HA MET A 57 -21.824 -1.203 -3.904 1.00 0.00 H new ATOM 0 HB2 MET A 57 -22.453 -3.402 -3.000 1.00 0.00 H new ATOM 0 HB3 MET A 57 -22.759 -3.286 -4.722 1.00 0.00 H new ATOM 0 HG2 MET A 57 -20.548 -4.480 -5.102 1.00 0.00 H new ATOM 0 HG3 MET A 57 -20.465 -4.741 -3.371 1.00 0.00 H new ATOM 0 HE1 MET A 57 -22.894 -6.918 -2.259 1.00 0.00 H new ATOM 0 HE2 MET A 57 -22.837 -5.139 -2.277 1.00 0.00 H new ATOM 0 HE3 MET A 57 -24.181 -5.994 -3.069 1.00 0.00 H new ATOM 876 N GLU A 58 -20.324 -1.104 -1.965 1.00 0.00 N ATOM 877 CA GLU A 58 -19.423 -0.939 -0.826 1.00 0.00 C ATOM 878 C GLU A 58 -19.220 -2.253 -0.074 1.00 0.00 C ATOM 879 O GLU A 58 -18.365 -2.348 0.807 1.00 0.00 O ATOM 880 CB GLU A 58 -19.970 0.123 0.129 1.00 0.00 C ATOM 881 CG GLU A 58 -20.139 1.494 -0.508 1.00 0.00 C ATOM 882 CD GLU A 58 -18.827 2.088 -0.986 1.00 0.00 C ATOM 883 OE1 GLU A 58 -18.202 1.501 -1.894 1.00 0.00 O ATOM 884 OE2 GLU A 58 -18.424 3.142 -0.450 1.00 0.00 O ATOM 0 H GLU A 58 -21.118 -0.464 -1.963 1.00 0.00 H new ATOM 0 HA GLU A 58 -18.456 -0.619 -1.214 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -20.934 -0.210 0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -19.299 0.210 0.983 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -20.825 1.415 -1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -20.597 2.171 0.214 1.00 0.00 H new ATOM 891 N SER A 59 -20.013 -3.260 -0.422 1.00 0.00 N ATOM 892 CA SER A 59 -19.924 -4.563 0.225 1.00 0.00 C ATOM 893 C SER A 59 -18.632 -5.271 -0.159 1.00 0.00 C ATOM 894 O SER A 59 -18.116 -6.095 0.595 1.00 0.00 O ATOM 895 CB SER A 59 -21.125 -5.428 -0.155 1.00 0.00 C ATOM 896 OG SER A 59 -22.340 -4.819 0.246 1.00 0.00 O ATOM 0 H SER A 59 -20.725 -3.199 -1.149 1.00 0.00 H new ATOM 0 HA SER A 59 -19.926 -4.406 1.304 1.00 0.00 H new ATOM 0 HB2 SER A 59 -21.134 -5.590 -1.233 1.00 0.00 H new ATOM 0 HB3 SER A 59 -21.034 -6.408 0.313 1.00 0.00 H new ATOM 0 HG SER A 59 -23.093 -5.391 -0.010 1.00 0.00 H new ATOM 902 N GLU A 60 -18.113 -4.938 -1.333 1.00 0.00 N ATOM 903 CA GLU A 60 -16.881 -5.532 -1.819 1.00 0.00 C ATOM 904 C GLU A 60 -15.678 -4.796 -1.245 1.00 0.00 C ATOM 905 O GLU A 60 -14.575 -5.334 -1.194 1.00 0.00 O ATOM 906 CB GLU A 60 -16.844 -5.492 -3.347 1.00 0.00 C ATOM 907 CG GLU A 60 -17.955 -6.293 -4.006 1.00 0.00 C ATOM 908 CD GLU A 60 -17.890 -6.243 -5.521 1.00 0.00 C ATOM 909 OE1 GLU A 60 -16.860 -6.668 -6.085 1.00 0.00 O ATOM 910 OE2 GLU A 60 -18.870 -5.781 -6.142 1.00 0.00 O ATOM 0 H GLU A 60 -18.530 -4.256 -1.967 1.00 0.00 H new ATOM 0 HA GLU A 60 -16.842 -6.572 -1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -16.911 -4.455 -3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.882 -5.873 -3.688 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -17.894 -7.330 -3.677 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.920 -5.910 -3.674 1.00 0.00 H new ATOM 917 N ILE A 61 -15.905 -3.559 -0.813 1.00 0.00 N ATOM 918 CA ILE A 61 -14.845 -2.740 -0.239 1.00 0.00 C ATOM 919 C ILE A 61 -14.368 -3.316 1.090 1.00 0.00 C ATOM 920 O ILE A 61 -13.203 -3.165 1.457 1.00 0.00 O ATOM 921 CB ILE A 61 -15.314 -1.288 -0.022 1.00 0.00 C ATOM 922 CG1 ILE A 61 -15.917 -0.722 -1.313 1.00 0.00 C ATOM 923 CG2 ILE A 61 -14.155 -0.421 0.451 1.00 0.00 C ATOM 924 CD1 ILE A 61 -14.956 -0.703 -2.484 1.00 0.00 C ATOM 0 H ILE A 61 -16.816 -3.102 -0.850 1.00 0.00 H new ATOM 0 HA ILE A 61 -14.019 -2.743 -0.950 1.00 0.00 H new ATOM 0 HB ILE A 61 -16.085 -1.284 0.749 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -16.792 -1.314 -1.583 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -16.265 0.294 -1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -14.502 0.601 0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -13.768 -0.813 1.391 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -13.364 -0.430 -0.299 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -15.457 -0.289 -3.359 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -14.092 -0.087 -2.235 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -14.627 -1.719 -2.701 1.00 0.00 H new ATOM 936 N LYS A 62 -15.272 -3.978 1.810 1.00 0.00 N ATOM 937 CA LYS A 62 -14.929 -4.574 3.097 1.00 0.00 C ATOM 938 C LYS A 62 -14.330 -5.964 2.905 1.00 0.00 C ATOM 939 O LYS A 62 -13.410 -6.355 3.624 1.00 0.00 O ATOM 940 CB LYS A 62 -16.159 -4.624 4.014 1.00 0.00 C ATOM 941 CG LYS A 62 -17.283 -5.523 3.518 1.00 0.00 C ATOM 942 CD LYS A 62 -17.070 -6.982 3.903 1.00 0.00 C ATOM 943 CE LYS A 62 -17.259 -7.215 5.397 1.00 0.00 C ATOM 944 NZ LYS A 62 -16.220 -6.527 6.213 1.00 0.00 N ATOM 0 H LYS A 62 -16.242 -4.114 1.525 1.00 0.00 H new ATOM 0 HA LYS A 62 -14.176 -3.948 3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.847 -4.966 5.001 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -16.547 -3.613 4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -18.231 -5.176 3.929 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -17.357 -5.443 2.433 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -17.768 -7.608 3.348 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -16.065 -7.290 3.613 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -18.246 -6.861 5.696 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -17.229 -8.285 5.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.038 -7.075 7.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.342 -6.448 5.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.554 -5.576 6.470 1.00 0.00 H new ATOM 958 N ASP A 63 -14.841 -6.700 1.920 1.00 0.00 N ATOM 959 CA ASP A 63 -14.333 -8.035 1.629 1.00 0.00 C ATOM 960 C ASP A 63 -12.979 -7.931 0.946 1.00 0.00 C ATOM 961 O ASP A 63 -12.170 -8.859 0.989 1.00 0.00 O ATOM 962 CB ASP A 63 -15.310 -8.811 0.741 1.00 0.00 C ATOM 963 CG ASP A 63 -16.624 -9.105 1.438 1.00 0.00 C ATOM 964 OD1 ASP A 63 -16.599 -9.766 2.497 1.00 0.00 O ATOM 965 OD2 ASP A 63 -17.678 -8.677 0.923 1.00 0.00 O ATOM 0 H ASP A 63 -15.602 -6.395 1.314 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.225 -8.576 2.569 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -15.504 -8.238 -0.166 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -14.849 -9.749 0.433 1.00 0.00 H new ATOM 970 N LEU A 64 -12.740 -6.781 0.323 1.00 0.00 N ATOM 971 CA LEU A 64 -11.485 -6.526 -0.367 1.00 0.00 C ATOM 972 C LEU A 64 -10.464 -5.962 0.618 1.00 0.00 C ATOM 973 O LEU A 64 -9.285 -6.308 0.574 1.00 0.00 O ATOM 974 CB LEU A 64 -11.714 -5.551 -1.529 1.00 0.00 C ATOM 975 CG LEU A 64 -10.644 -5.563 -2.628 1.00 0.00 C ATOM 976 CD1 LEU A 64 -11.118 -4.774 -3.838 1.00 0.00 C ATOM 977 CD2 LEU A 64 -9.329 -4.994 -2.115 1.00 0.00 C ATOM 0 H LEU A 64 -13.405 -6.008 0.283 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.099 -7.460 -0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.678 -5.777 -1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.781 -4.541 -1.124 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.477 -6.599 -2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.348 -4.792 -4.609 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.032 -5.221 -4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.314 -3.742 -3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.588 -5.014 -2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.481 -3.966 -1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.975 -5.594 -1.277 1.00 0.00 H new ATOM 989 N MET A 65 -10.937 -5.096 1.513 1.00 0.00 N ATOM 990 CA MET A 65 -10.081 -4.484 2.522 1.00 0.00 C ATOM 991 C MET A 65 -9.508 -5.539 3.464 1.00 0.00 C ATOM 992 O MET A 65 -8.319 -5.521 3.780 1.00 0.00 O ATOM 993 CB MET A 65 -10.874 -3.446 3.320 1.00 0.00 C ATOM 994 CG MET A 65 -10.067 -2.751 4.405 1.00 0.00 C ATOM 995 SD MET A 65 -8.592 -1.936 3.766 1.00 0.00 S ATOM 996 CE MET A 65 -7.919 -1.238 5.272 1.00 0.00 C ATOM 0 H MET A 65 -11.913 -4.803 1.558 1.00 0.00 H new ATOM 0 HA MET A 65 -9.251 -3.992 2.014 1.00 0.00 H new ATOM 0 HB2 MET A 65 -11.263 -2.694 2.633 1.00 0.00 H new ATOM 0 HB3 MET A 65 -11.734 -3.935 3.778 1.00 0.00 H new ATOM 0 HG2 MET A 65 -10.696 -2.014 4.904 1.00 0.00 H new ATOM 0 HG3 MET A 65 -9.775 -3.482 5.159 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.728 -0.175 5.126 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.633 -1.370 6.085 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.986 -1.744 5.522 1.00 0.00 H new ATOM 1006 N ASP A 66 -10.363 -6.454 3.912 1.00 0.00 N ATOM 1007 CA ASP A 66 -9.942 -7.515 4.822 1.00 0.00 C ATOM 1008 C ASP A 66 -8.958 -8.464 4.143 1.00 0.00 C ATOM 1009 O ASP A 66 -7.962 -8.870 4.742 1.00 0.00 O ATOM 1010 CB ASP A 66 -11.160 -8.294 5.327 1.00 0.00 C ATOM 1011 CG ASP A 66 -10.791 -9.362 6.340 1.00 0.00 C ATOM 1012 OD1 ASP A 66 -10.031 -10.287 5.983 1.00 0.00 O ATOM 1013 OD2 ASP A 66 -11.264 -9.273 7.492 1.00 0.00 O ATOM 0 H ASP A 66 -11.351 -6.482 3.660 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.438 -7.052 5.670 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.869 -7.600 5.778 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.665 -8.760 4.481 1.00 0.00 H new ATOM 1018 N ALA A 67 -9.244 -8.817 2.894 1.00 0.00 N ATOM 1019 CA ALA A 67 -8.384 -9.721 2.140 1.00 0.00 C ATOM 1020 C ALA A 67 -7.068 -9.048 1.764 1.00 0.00 C ATOM 1021 O ALA A 67 -6.034 -9.707 1.654 1.00 0.00 O ATOM 1022 CB ALA A 67 -9.100 -10.214 0.892 1.00 0.00 C ATOM 0 H ALA A 67 -10.064 -8.491 2.383 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.155 -10.575 2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.445 -10.888 0.339 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -10.008 -10.744 1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.360 -9.363 0.262 1.00 0.00 H new ATOM 1028 N ALA A 68 -7.114 -7.734 1.569 1.00 0.00 N ATOM 1029 CA ALA A 68 -5.923 -6.974 1.205 1.00 0.00 C ATOM 1030 C ALA A 68 -4.952 -6.880 2.377 1.00 0.00 C ATOM 1031 O ALA A 68 -3.830 -7.381 2.306 1.00 0.00 O ATOM 1032 CB ALA A 68 -6.317 -5.583 0.733 1.00 0.00 C ATOM 0 H ALA A 68 -7.962 -7.174 1.657 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.419 -7.497 0.392 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.422 -5.023 0.463 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.969 -5.665 -0.137 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.843 -5.063 1.533 1.00 0.00 H new ATOM 1038 N ASP A 69 -5.395 -6.244 3.458 1.00 0.00 N ATOM 1039 CA ASP A 69 -4.567 -6.094 4.650 1.00 0.00 C ATOM 1040 C ASP A 69 -4.761 -7.282 5.585 1.00 0.00 C ATOM 1041 O ASP A 69 -5.726 -7.341 6.347 1.00 0.00 O ATOM 1042 CB ASP A 69 -4.898 -4.788 5.372 1.00 0.00 C ATOM 1043 CG ASP A 69 -4.114 -4.624 6.660 1.00 0.00 C ATOM 1044 OD1 ASP A 69 -2.867 -4.608 6.597 1.00 0.00 O ATOM 1045 OD2 ASP A 69 -4.747 -4.511 7.730 1.00 0.00 O ATOM 0 H ASP A 69 -6.322 -5.825 3.533 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.522 -6.062 4.342 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.686 -3.947 4.711 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.965 -4.759 5.593 1.00 0.00 H new ATOM 1050 N ILE A 70 -3.835 -8.229 5.508 1.00 0.00 N ATOM 1051 CA ILE A 70 -3.884 -9.430 6.330 1.00 0.00 C ATOM 1052 C ILE A 70 -3.276 -9.173 7.701 1.00 0.00 C ATOM 1053 O ILE A 70 -3.456 -9.957 8.633 1.00 0.00 O ATOM 1054 CB ILE A 70 -3.140 -10.596 5.650 1.00 0.00 C ATOM 1055 CG1 ILE A 70 -3.344 -11.898 6.432 1.00 0.00 C ATOM 1056 CG2 ILE A 70 -1.658 -10.272 5.517 1.00 0.00 C ATOM 1057 CD1 ILE A 70 -2.687 -13.104 5.792 1.00 0.00 C ATOM 0 H ILE A 70 -3.034 -8.187 4.878 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.933 -9.702 6.450 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.553 -10.734 4.651 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.948 -11.772 7.440 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.413 -12.088 6.531 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.145 -11.105 5.035 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.535 -9.372 4.914 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.231 -10.107 6.506 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.875 -13.987 6.402 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.100 -13.257 4.795 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.613 -12.936 5.718 1.00 0.00 H new ATOM 1069 N ASP A 71 -2.554 -8.065 7.815 1.00 0.00 N ATOM 1070 CA ASP A 71 -1.914 -7.699 9.071 1.00 0.00 C ATOM 1071 C ASP A 71 -2.961 -7.427 10.148 1.00 0.00 C ATOM 1072 O ASP A 71 -2.625 -7.220 11.315 1.00 0.00 O ATOM 1073 CB ASP A 71 -1.024 -6.471 8.871 1.00 0.00 C ATOM 1074 CG ASP A 71 -0.214 -6.130 10.106 1.00 0.00 C ATOM 1075 OD1 ASP A 71 0.513 -7.017 10.603 1.00 0.00 O ATOM 1076 OD2 ASP A 71 -0.297 -4.975 10.569 1.00 0.00 O ATOM 0 H ASP A 71 -2.397 -7.405 7.053 1.00 0.00 H new ATOM 0 HA ASP A 71 -1.293 -8.532 9.400 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.347 -6.650 8.035 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.645 -5.617 8.601 1.00 0.00 H new ATOM 1081 N LYS A 72 -4.232 -7.447 9.742 1.00 0.00 N ATOM 1082 CA LYS A 72 -5.347 -7.218 10.653 1.00 0.00 C ATOM 1083 C LYS A 72 -5.078 -6.042 11.582 1.00 0.00 C ATOM 1084 O LYS A 72 -5.580 -5.996 12.706 1.00 0.00 O ATOM 1085 CB LYS A 72 -5.616 -8.483 11.460 1.00 0.00 C ATOM 1086 CG LYS A 72 -5.902 -9.692 10.587 1.00 0.00 C ATOM 1087 CD LYS A 72 -7.203 -9.535 9.812 1.00 0.00 C ATOM 1088 CE LYS A 72 -8.399 -9.404 10.743 1.00 0.00 C ATOM 1089 NZ LYS A 72 -9.671 -9.210 9.993 1.00 0.00 N ATOM 0 H LYS A 72 -4.513 -7.622 8.777 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.228 -6.971 10.060 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.754 -8.694 12.093 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.464 -8.311 12.123 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.078 -9.839 9.888 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.955 -10.585 11.209 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.142 -8.655 9.172 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.343 -10.396 9.158 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.476 -10.298 11.362 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.243 -8.562 11.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.996 -8.229 10.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.512 -9.405 8.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.394 -9.860 10.362 1.00 0.00 H new ATOM 1103 N SER A 73 -4.287 -5.093 11.103 1.00 0.00 N ATOM 1104 CA SER A 73 -3.956 -3.912 11.894 1.00 0.00 C ATOM 1105 C SER A 73 -5.032 -2.845 11.745 1.00 0.00 C ATOM 1106 O SER A 73 -4.969 -1.792 12.380 1.00 0.00 O ATOM 1107 CB SER A 73 -2.601 -3.345 11.473 1.00 0.00 C ATOM 1108 OG SER A 73 -2.613 -2.949 10.113 1.00 0.00 O ATOM 0 H SER A 73 -3.863 -5.115 10.175 1.00 0.00 H new ATOM 0 HA SER A 73 -3.903 -4.212 12.940 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.350 -2.490 12.101 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.825 -4.095 11.630 1.00 0.00 H new ATOM 0 HG SER A 73 -1.735 -2.588 9.870 1.00 0.00 H new ATOM 1114 N GLY A 74 -6.015 -3.120 10.894 1.00 0.00 N ATOM 1115 CA GLY A 74 -7.086 -2.169 10.667 1.00 0.00 C ATOM 1116 C GLY A 74 -6.710 -1.143 9.619 1.00 0.00 C ATOM 1117 O GLY A 74 -7.559 -0.393 9.135 1.00 0.00 O ATOM 0 H GLY A 74 -6.089 -3.985 10.358 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.984 -2.700 10.351 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.328 -1.663 11.602 1.00 0.00 H new ATOM 1121 N THR A 75 -5.429 -1.120 9.268 1.00 0.00 N ATOM 1122 CA THR A 75 -4.920 -0.192 8.268 1.00 0.00 C ATOM 1123 C THR A 75 -4.100 -0.938 7.220 1.00 0.00 C ATOM 1124 O THR A 75 -3.189 -1.697 7.555 1.00 0.00 O ATOM 1125 CB THR A 75 -4.067 0.888 8.935 1.00 0.00 C ATOM 1126 OG1 THR A 75 -4.823 1.600 9.899 1.00 0.00 O ATOM 1127 CG2 THR A 75 -3.505 1.898 7.958 1.00 0.00 C ATOM 0 H THR A 75 -4.721 -1.738 9.665 1.00 0.00 H new ATOM 0 HA THR A 75 -5.766 0.285 7.773 1.00 0.00 H new ATOM 0 HB THR A 75 -3.237 0.354 9.398 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.260 2.285 10.316 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.911 2.635 8.498 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.876 1.388 7.229 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.324 2.400 7.442 1.00 0.00 H new ATOM 1135 N ILE A 76 -4.436 -0.724 5.952 1.00 0.00 N ATOM 1136 CA ILE A 76 -3.738 -1.383 4.856 1.00 0.00 C ATOM 1137 C ILE A 76 -2.552 -0.558 4.364 1.00 0.00 C ATOM 1138 O ILE A 76 -2.633 0.669 4.256 1.00 0.00 O ATOM 1139 CB ILE A 76 -4.686 -1.652 3.668 1.00 0.00 C ATOM 1140 CG1 ILE A 76 -3.929 -2.337 2.525 1.00 0.00 C ATOM 1141 CG2 ILE A 76 -5.320 -0.352 3.193 1.00 0.00 C ATOM 1142 CD1 ILE A 76 -4.787 -2.622 1.311 1.00 0.00 C ATOM 0 H ILE A 76 -5.187 -0.099 5.659 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.372 -2.331 5.250 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.481 -2.320 3.999 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.091 -1.707 2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.509 -3.274 2.890 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.986 -0.557 2.355 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.889 0.094 4.008 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.539 0.339 2.875 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.183 -3.107 0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.610 -3.278 1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.186 -1.686 0.920 1.00 0.00 H new ATOM 1154 N ASP A 77 -1.458 -1.249 4.054 1.00 0.00 N ATOM 1155 CA ASP A 77 -0.252 -0.599 3.552 1.00 0.00 C ATOM 1156 C ASP A 77 0.118 -1.169 2.186 1.00 0.00 C ATOM 1157 O ASP A 77 -0.368 -2.234 1.802 1.00 0.00 O ATOM 1158 CB ASP A 77 0.908 -0.786 4.531 1.00 0.00 C ATOM 1159 CG ASP A 77 0.604 -0.218 5.904 1.00 0.00 C ATOM 1160 OD1 ASP A 77 0.356 1.002 6.001 1.00 0.00 O ATOM 1161 OD2 ASP A 77 0.615 -0.994 6.883 1.00 0.00 O ATOM 0 H ASP A 77 -1.383 -2.262 4.142 1.00 0.00 H new ATOM 0 HA ASP A 77 -0.450 0.468 3.451 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.135 -1.848 4.622 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.799 -0.303 4.130 1.00 0.00 H new ATOM 1166 N TYR A 78 0.971 -0.460 1.453 1.00 0.00 N ATOM 1167 CA TYR A 78 1.387 -0.912 0.129 1.00 0.00 C ATOM 1168 C TYR A 78 2.102 -2.257 0.216 1.00 0.00 C ATOM 1169 O TYR A 78 2.054 -3.059 -0.717 1.00 0.00 O ATOM 1170 CB TYR A 78 2.306 0.119 -0.531 1.00 0.00 C ATOM 1171 CG TYR A 78 2.646 -0.212 -1.968 1.00 0.00 C ATOM 1172 CD1 TYR A 78 1.651 -0.563 -2.875 1.00 0.00 C ATOM 1173 CD2 TYR A 78 3.959 -0.175 -2.418 1.00 0.00 C ATOM 1174 CE1 TYR A 78 1.957 -0.867 -4.187 1.00 0.00 C ATOM 1175 CE2 TYR A 78 4.272 -0.478 -3.730 1.00 0.00 C ATOM 1176 CZ TYR A 78 3.268 -0.824 -4.609 1.00 0.00 C ATOM 1177 OH TYR A 78 3.576 -1.127 -5.915 1.00 0.00 O ATOM 0 H TYR A 78 1.385 0.423 1.750 1.00 0.00 H new ATOM 0 HA TYR A 78 0.491 -1.028 -0.480 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.827 1.098 -0.495 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.228 0.194 0.045 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.622 -0.598 -2.548 1.00 0.00 H new ATOM 0 HD2 TYR A 78 4.748 0.095 -1.732 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.173 -1.137 -4.879 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.298 -0.444 -4.065 1.00 0.00 H new ATOM 0 HH TYR A 78 4.543 -1.048 -6.050 1.00 0.00 H new ATOM 1187 N GLY A 79 2.766 -2.492 1.342 1.00 0.00 N ATOM 1188 CA GLY A 79 3.488 -3.735 1.539 1.00 0.00 C ATOM 1189 C GLY A 79 2.600 -4.856 2.044 1.00 0.00 C ATOM 1190 O GLY A 79 2.993 -6.022 2.026 1.00 0.00 O ATOM 0 H GLY A 79 2.817 -1.841 2.125 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.946 -4.037 0.597 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.298 -3.571 2.250 1.00 0.00 H new ATOM 1194 N GLU A 80 1.404 -4.503 2.506 1.00 0.00 N ATOM 1195 CA GLU A 80 0.467 -5.491 3.030 1.00 0.00 C ATOM 1196 C GLU A 80 -0.370 -6.094 1.908 1.00 0.00 C ATOM 1197 O GLU A 80 -0.779 -7.253 1.977 1.00 0.00 O ATOM 1198 CB GLU A 80 -0.450 -4.850 4.073 1.00 0.00 C ATOM 1199 CG GLU A 80 0.294 -4.085 5.157 1.00 0.00 C ATOM 1200 CD GLU A 80 1.201 -4.968 5.995 1.00 0.00 C ATOM 1201 OE1 GLU A 80 2.124 -5.588 5.427 1.00 0.00 O ATOM 1202 OE2 GLU A 80 0.991 -5.032 7.224 1.00 0.00 O ATOM 0 H GLU A 80 1.062 -3.542 2.528 1.00 0.00 H new ATOM 0 HA GLU A 80 1.043 -6.288 3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.139 -4.171 3.570 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.054 -5.628 4.540 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.890 -3.298 4.694 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.429 -3.595 5.809 1.00 0.00 H new ATOM 1209 N PHE A 81 -0.623 -5.296 0.878 1.00 0.00 N ATOM 1210 CA PHE A 81 -1.415 -5.741 -0.261 1.00 0.00 C ATOM 1211 C PHE A 81 -0.580 -6.590 -1.216 1.00 0.00 C ATOM 1212 O PHE A 81 -1.072 -7.564 -1.786 1.00 0.00 O ATOM 1213 CB PHE A 81 -1.990 -4.531 -1.001 1.00 0.00 C ATOM 1214 CG PHE A 81 -2.855 -4.892 -2.175 1.00 0.00 C ATOM 1215 CD1 PHE A 81 -3.886 -5.808 -2.039 1.00 0.00 C ATOM 1216 CD2 PHE A 81 -2.637 -4.311 -3.413 1.00 0.00 C ATOM 1217 CE1 PHE A 81 -4.683 -6.139 -3.118 1.00 0.00 C ATOM 1218 CE2 PHE A 81 -3.432 -4.638 -4.496 1.00 0.00 C ATOM 1219 CZ PHE A 81 -4.456 -5.553 -4.349 1.00 0.00 C ATOM 0 H PHE A 81 -0.290 -4.334 0.808 1.00 0.00 H new ATOM 0 HA PHE A 81 -2.232 -6.358 0.113 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.574 -3.933 -0.301 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -1.168 -3.904 -1.347 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.068 -6.268 -1.079 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.838 -3.595 -3.534 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.483 -6.855 -3.000 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.252 -4.178 -5.457 1.00 0.00 H new ATOM 0 HZ PHE A 81 -5.078 -5.810 -5.194 1.00 0.00 H new ATOM 1229 N ILE A 82 0.685 -6.214 -1.387 1.00 0.00 N ATOM 1230 CA ILE A 82 1.588 -6.940 -2.275 1.00 0.00 C ATOM 1231 C ILE A 82 1.926 -8.321 -1.722 1.00 0.00 C ATOM 1232 O ILE A 82 2.393 -9.195 -2.453 1.00 0.00 O ATOM 1233 CB ILE A 82 2.889 -6.147 -2.534 1.00 0.00 C ATOM 1234 CG1 ILE A 82 3.585 -5.768 -1.221 1.00 0.00 C ATOM 1235 CG2 ILE A 82 2.592 -4.900 -3.353 1.00 0.00 C ATOM 1236 CD1 ILE A 82 4.336 -6.908 -0.566 1.00 0.00 C ATOM 0 H ILE A 82 1.108 -5.411 -0.922 1.00 0.00 H new ATOM 0 HA ILE A 82 1.063 -7.064 -3.222 1.00 0.00 H new ATOM 0 HB ILE A 82 3.566 -6.790 -3.097 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.282 -4.952 -1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 82 2.838 -5.391 -0.522 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.517 -4.351 -3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.155 -5.188 -4.309 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.891 -4.266 -2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.799 -6.557 0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.642 -7.717 -0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.108 -7.272 -1.244 1.00 0.00 H new