USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 549 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 27 MET CE :methyl -125:sc= 0 (180deg=-0.658) USER MOD Single : A 30 TYR OH : rot -35:sc= 0.0883 USER MOD Single : A 33 SER OG : rot -40:sc= 0.733 USER MOD Single : A 35 HIS : no HE2:sc= -1.72 K(o=-1.7,f=-5.5) USER MOD Single : A 37 ASN : amide:sc= -0.102 K(o=-0.1,f=-3!) USER MOD Single : A 39 THR OG1 : rot 118:sc= 0.367 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0409 K(o=-0.041,f=-0.66) USER MOD Single : A 59 MET CE :methyl 153:sc= -0.193 (180deg=-0.875) USER MOD Single : A 68 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.174) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.333 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -105:sc= -1.34! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -92:sc= -1.12 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 153:sc= -1.46 (180deg=-2.86!) USER MOD Single : A 87 GLN : amide:sc= -1.03 K(o=-1,f=-5.8!) USER MOD Single : A 89 ASN : amide:sc= 0.824 K(o=0.82,f=-0.056) USER MOD Single : A 98 MET CE :methyl -167:sc= -1.24 (180deg=-1.56) USER MOD Single : A 99 LYS NZ :NH3+ 171:sc= -0.0107 (180deg=-0.11) USER MOD Single : A 102 HIS : no HE2:sc= -1.41 K(o=-1.4,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 359 N PRO A 26 -13.886 2.284 -6.028 1.00 0.00 N ATOM 360 CA PRO A 26 -12.491 2.584 -5.676 1.00 0.00 C ATOM 361 C PRO A 26 -12.210 2.372 -4.175 1.00 0.00 C ATOM 362 O PRO A 26 -12.807 3.029 -3.318 1.00 0.00 O ATOM 363 CB PRO A 26 -12.356 4.061 -6.062 1.00 0.00 C ATOM 364 CG PRO A 26 -13.723 4.633 -5.857 1.00 0.00 C ATOM 365 CD PRO A 26 -14.704 3.513 -6.122 1.00 0.00 C ATOM 0 HA PRO A 26 -11.779 1.932 -6.182 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.618 4.567 -5.440 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.031 4.172 -7.097 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.835 5.014 -4.842 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.898 5.470 -6.533 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.512 3.510 -5.391 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.164 3.611 -7.105 1.00 0.00 H new ATOM 373 N MET A 27 -11.302 1.451 -3.860 1.00 0.00 N ATOM 374 CA MET A 27 -11.003 1.106 -2.462 1.00 0.00 C ATOM 375 C MET A 27 -9.658 1.707 -2.015 1.00 0.00 C ATOM 376 O MET A 27 -8.685 1.709 -2.772 1.00 0.00 O ATOM 377 CB MET A 27 -10.994 -0.423 -2.299 1.00 0.00 C ATOM 378 CG MET A 27 -11.032 -0.906 -0.856 1.00 0.00 C ATOM 379 SD MET A 27 -11.083 -2.707 -0.744 1.00 0.00 S ATOM 380 CE MET A 27 -11.368 -2.936 1.007 1.00 0.00 C ATOM 0 H MET A 27 -10.759 0.929 -4.548 1.00 0.00 H new ATOM 0 HA MET A 27 -11.780 1.530 -1.826 1.00 0.00 H new ATOM 0 HB2 MET A 27 -11.851 -0.837 -2.830 1.00 0.00 H new ATOM 0 HB3 MET A 27 -10.100 -0.821 -2.778 1.00 0.00 H new ATOM 0 HG2 MET A 27 -10.154 -0.535 -0.327 1.00 0.00 H new ATOM 0 HG3 MET A 27 -11.906 -0.487 -0.357 1.00 0.00 H new ATOM 0 HE1 MET A 27 -10.594 -3.582 1.420 1.00 0.00 H new ATOM 0 HE2 MET A 27 -11.340 -1.969 1.510 1.00 0.00 H new ATOM 0 HE3 MET A 27 -12.344 -3.396 1.160 1.00 0.00 H new ATOM 390 N ARG A 28 -9.613 2.227 -0.786 1.00 0.00 N ATOM 391 CA ARG A 28 -8.395 2.854 -0.249 1.00 0.00 C ATOM 392 C ARG A 28 -7.739 1.978 0.833 1.00 0.00 C ATOM 393 O ARG A 28 -8.388 1.576 1.801 1.00 0.00 O ATOM 394 CB ARG A 28 -8.732 4.240 0.332 1.00 0.00 C ATOM 395 CG ARG A 28 -7.512 5.045 0.786 1.00 0.00 C ATOM 396 CD ARG A 28 -7.913 6.350 1.476 1.00 0.00 C ATOM 397 NE ARG A 28 -8.762 7.189 0.630 1.00 0.00 N ATOM 398 CZ ARG A 28 -9.492 8.183 1.071 1.00 0.00 C ATOM 399 NH1 ARG A 28 -9.456 8.537 2.315 1.00 0.00 N ATOM 400 NH2 ARG A 28 -10.245 8.840 0.255 1.00 0.00 N ATOM 0 H ARG A 28 -10.404 2.228 -0.142 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.684 2.963 -1.068 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.273 4.815 -0.420 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.405 4.112 1.180 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.913 4.442 1.469 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.884 5.269 -0.076 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.440 6.121 2.402 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.015 6.905 1.749 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.787 6.986 -0.369 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.852 8.040 2.970 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.031 9.314 2.641 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.271 8.585 -0.732 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.814 9.614 0.597 1.00 0.00 H new ATOM 414 N LEU A 29 -6.449 1.691 0.668 1.00 0.00 N ATOM 415 CA LEU A 29 -5.693 0.894 1.644 1.00 0.00 C ATOM 416 C LEU A 29 -4.746 1.766 2.480 1.00 0.00 C ATOM 417 O LEU A 29 -4.122 2.698 1.972 1.00 0.00 O ATOM 418 CB LEU A 29 -4.873 -0.198 0.937 1.00 0.00 C ATOM 419 CG LEU A 29 -5.686 -1.287 0.218 1.00 0.00 C ATOM 420 CD1 LEU A 29 -4.753 -2.332 -0.397 1.00 0.00 C ATOM 421 CD2 LEU A 29 -6.681 -1.942 1.173 1.00 0.00 C ATOM 0 H LEU A 29 -5.900 1.998 -0.135 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.423 0.434 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.218 0.280 0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.231 -0.679 1.675 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.252 -0.817 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.345 -3.096 -0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.091 -1.850 -1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.157 -2.796 0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.244 -2.709 0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.142 -2.398 2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.368 -1.188 1.557 1.00 0.00 H new ATOM 433 N TYR A 30 -4.653 1.447 3.766 1.00 0.00 N ATOM 434 CA TYR A 30 -3.691 2.080 4.671 1.00 0.00 C ATOM 435 C TYR A 30 -2.420 1.224 4.775 1.00 0.00 C ATOM 436 O TYR A 30 -2.464 0.089 5.257 1.00 0.00 O ATOM 437 CB TYR A 30 -4.319 2.279 6.061 1.00 0.00 C ATOM 438 CG TYR A 30 -3.320 2.620 7.152 1.00 0.00 C ATOM 439 CD1 TYR A 30 -2.857 3.921 7.327 1.00 0.00 C ATOM 440 CD2 TYR A 30 -2.839 1.633 8.010 1.00 0.00 C ATOM 441 CE1 TYR A 30 -1.947 4.225 8.320 1.00 0.00 C ATOM 442 CE2 TYR A 30 -1.931 1.931 9.004 1.00 0.00 C ATOM 443 CZ TYR A 30 -1.488 3.227 9.155 1.00 0.00 C ATOM 444 OH TYR A 30 -0.588 3.528 10.155 1.00 0.00 O ATOM 0 H TYR A 30 -5.240 0.743 4.214 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.421 3.057 4.270 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.061 3.075 6.002 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -4.850 1.369 6.341 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.215 4.705 6.676 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.184 0.616 7.894 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.596 5.239 8.443 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.569 1.153 9.660 1.00 0.00 H new ATOM 0 HH TYR A 30 0.021 4.231 9.846 1.00 0.00 H new ATOM 454 N VAL A 31 -1.300 1.764 4.307 1.00 0.00 N ATOM 455 CA VAL A 31 -0.022 1.045 4.330 1.00 0.00 C ATOM 456 C VAL A 31 0.947 1.647 5.359 1.00 0.00 C ATOM 457 O VAL A 31 1.572 2.684 5.115 1.00 0.00 O ATOM 458 CB VAL A 31 0.646 1.054 2.933 1.00 0.00 C ATOM 459 CG1 VAL A 31 1.907 0.187 2.920 1.00 0.00 C ATOM 460 CG2 VAL A 31 -0.343 0.598 1.864 1.00 0.00 C ATOM 0 H VAL A 31 -1.247 2.700 3.905 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.243 0.017 4.617 1.00 0.00 H new ATOM 0 HB VAL A 31 0.946 2.077 2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.355 0.212 1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.620 0.571 3.650 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.645 -0.840 3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.144 0.611 0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.680 -0.414 2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.200 1.271 1.850 1.00 0.00 H new ATOM 470 N GLY A 32 1.058 0.999 6.514 1.00 0.00 N ATOM 471 CA GLY A 32 1.979 1.452 7.549 1.00 0.00 C ATOM 472 C GLY A 32 3.265 0.631 7.596 1.00 0.00 C ATOM 473 O GLY A 32 3.347 -0.370 8.308 1.00 0.00 O ATOM 0 H GLY A 32 0.525 0.164 6.756 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.228 2.499 7.375 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.484 1.399 8.518 1.00 0.00 H new ATOM 477 N SER A 33 4.263 1.052 6.820 1.00 0.00 N ATOM 478 CA SER A 33 5.579 0.382 6.790 1.00 0.00 C ATOM 479 C SER A 33 6.580 1.152 5.910 1.00 0.00 C ATOM 480 O SER A 33 7.579 0.596 5.444 1.00 0.00 O ATOM 481 CB SER A 33 5.444 -1.063 6.275 1.00 0.00 C ATOM 482 OG SER A 33 6.674 -1.773 6.366 1.00 0.00 O ATOM 0 H SER A 33 4.192 1.857 6.198 1.00 0.00 H new ATOM 0 HA SER A 33 5.958 0.364 7.812 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.680 -1.584 6.851 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.108 -1.050 5.238 1.00 0.00 H new ATOM 0 HG SER A 33 7.412 -1.183 6.106 1.00 0.00 H new ATOM 488 N LEU A 34 6.332 2.446 5.695 1.00 0.00 N ATOM 489 CA LEU A 34 7.219 3.268 4.864 1.00 0.00 C ATOM 490 C LEU A 34 8.472 3.660 5.654 1.00 0.00 C ATOM 491 O LEU A 34 8.659 4.813 6.042 1.00 0.00 O ATOM 492 CB LEU A 34 6.490 4.520 4.353 1.00 0.00 C ATOM 493 CG LEU A 34 5.088 4.277 3.770 1.00 0.00 C ATOM 494 CD1 LEU A 34 4.562 5.534 3.089 1.00 0.00 C ATOM 495 CD2 LEU A 34 5.087 3.096 2.805 1.00 0.00 C ATOM 0 H LEU A 34 5.531 2.946 6.081 1.00 0.00 H new ATOM 0 HA LEU A 34 7.521 2.678 3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.405 5.231 5.175 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.106 4.991 3.587 1.00 0.00 H new ATOM 0 HG LEU A 34 4.421 4.031 4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.569 5.340 2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.505 6.345 3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.235 5.818 2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.082 2.950 2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.774 3.297 1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.404 2.196 3.331 1.00 0.00 H new ATOM 507 N HIS A 35 9.316 2.667 5.895 1.00 0.00 N ATOM 508 CA HIS A 35 10.525 2.823 6.709 1.00 0.00 C ATOM 509 C HIS A 35 11.567 3.756 6.067 1.00 0.00 C ATOM 510 O HIS A 35 12.528 3.289 5.460 1.00 0.00 O ATOM 511 CB HIS A 35 11.131 1.436 6.974 1.00 0.00 C ATOM 512 CG HIS A 35 10.989 0.492 5.815 1.00 0.00 C ATOM 513 ND1 HIS A 35 10.095 -0.557 5.813 1.00 0.00 N ATOM 514 CD2 HIS A 35 11.611 0.451 4.613 1.00 0.00 C ATOM 515 CE1 HIS A 35 10.177 -1.203 4.668 1.00 0.00 C ATOM 516 NE2 HIS A 35 11.088 -0.613 3.921 1.00 0.00 N ATOM 0 H HIS A 35 9.185 1.723 5.532 1.00 0.00 H new ATOM 0 HA HIS A 35 10.236 3.296 7.648 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.188 1.549 7.213 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.651 0.999 7.850 1.00 0.00 H new ATOM 0 HD1 HIS A 35 9.467 -0.796 6.580 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.376 1.129 4.264 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.596 -2.069 4.389 1.00 0.00 H new ATOM 525 N PHE A 36 11.343 5.070 6.187 1.00 0.00 N ATOM 526 CA PHE A 36 12.327 6.094 5.786 1.00 0.00 C ATOM 527 C PHE A 36 12.947 5.806 4.397 1.00 0.00 C ATOM 528 O PHE A 36 14.136 6.043 4.164 1.00 0.00 O ATOM 529 CB PHE A 36 13.415 6.180 6.876 1.00 0.00 C ATOM 530 CG PHE A 36 14.341 7.368 6.757 1.00 0.00 C ATOM 531 CD1 PHE A 36 13.862 8.659 6.929 1.00 0.00 C ATOM 532 CD2 PHE A 36 15.691 7.191 6.486 1.00 0.00 C ATOM 533 CE1 PHE A 36 14.710 9.744 6.830 1.00 0.00 C ATOM 534 CE2 PHE A 36 16.539 8.275 6.386 1.00 0.00 C ATOM 535 CZ PHE A 36 16.049 9.552 6.558 1.00 0.00 C ATOM 0 H PHE A 36 10.478 5.457 6.564 1.00 0.00 H new ATOM 0 HA PHE A 36 11.816 7.052 5.692 1.00 0.00 H new ATOM 0 HB2 PHE A 36 12.930 6.212 7.852 1.00 0.00 H new ATOM 0 HB3 PHE A 36 14.012 5.268 6.846 1.00 0.00 H new ATOM 0 HD1 PHE A 36 12.815 8.817 7.142 1.00 0.00 H new ATOM 0 HD2 PHE A 36 16.082 6.193 6.352 1.00 0.00 H new ATOM 0 HE1 PHE A 36 14.325 10.744 6.966 1.00 0.00 H new ATOM 0 HE2 PHE A 36 17.587 8.123 6.173 1.00 0.00 H new ATOM 0 HZ PHE A 36 16.712 10.401 6.480 1.00 0.00 H new ATOM 545 N ASN A 37 12.125 5.319 3.464 1.00 0.00 N ATOM 546 CA ASN A 37 12.622 4.923 2.137 1.00 0.00 C ATOM 547 C ASN A 37 11.490 4.704 1.119 1.00 0.00 C ATOM 548 O ASN A 37 11.601 5.108 -0.040 1.00 0.00 O ATOM 549 CB ASN A 37 13.468 3.645 2.258 1.00 0.00 C ATOM 550 CG ASN A 37 13.916 3.105 0.912 1.00 0.00 C ATOM 551 OD1 ASN A 37 13.254 2.266 0.312 1.00 0.00 O ATOM 552 ND2 ASN A 37 15.040 3.583 0.425 1.00 0.00 N ATOM 0 H ASN A 37 11.122 5.189 3.597 1.00 0.00 H new ATOM 0 HA ASN A 37 13.233 5.745 1.765 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.345 3.852 2.871 1.00 0.00 H new ATOM 0 HB3 ASN A 37 12.890 2.880 2.777 1.00 0.00 H new ATOM 0 HD21 ASN A 37 15.385 3.256 -0.478 1.00 0.00 H new ATOM 0 HD22 ASN A 37 15.567 4.281 0.950 1.00 0.00 H new ATOM 559 N ILE A 38 10.409 4.063 1.546 1.00 0.00 N ATOM 560 CA ILE A 38 9.339 3.669 0.624 1.00 0.00 C ATOM 561 C ILE A 38 8.497 4.870 0.171 1.00 0.00 C ATOM 562 O ILE A 38 7.657 5.374 0.916 1.00 0.00 O ATOM 563 CB ILE A 38 8.412 2.603 1.258 1.00 0.00 C ATOM 564 CG1 ILE A 38 9.243 1.480 1.901 1.00 0.00 C ATOM 565 CG2 ILE A 38 7.456 2.030 0.209 1.00 0.00 C ATOM 566 CD1 ILE A 38 10.210 0.807 0.946 1.00 0.00 C ATOM 0 H ILE A 38 10.246 3.804 2.519 1.00 0.00 H new ATOM 0 HA ILE A 38 9.830 3.242 -0.250 1.00 0.00 H new ATOM 0 HB ILE A 38 7.820 3.082 2.037 1.00 0.00 H new ATOM 0 HG12 ILE A 38 9.804 1.891 2.740 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.567 0.728 2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.812 1.283 0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.843 2.832 -0.201 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.031 1.566 -0.593 1.00 0.00 H new ATOM 0 HD11 ILE A 38 10.759 0.027 1.474 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.655 0.364 0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.912 1.545 0.558 1.00 0.00 H new ATOM 578 N THR A 39 8.737 5.326 -1.055 1.00 0.00 N ATOM 579 CA THR A 39 7.983 6.445 -1.627 1.00 0.00 C ATOM 580 C THR A 39 6.782 5.953 -2.440 1.00 0.00 C ATOM 581 O THR A 39 6.613 4.751 -2.661 1.00 0.00 O ATOM 582 CB THR A 39 8.865 7.330 -2.543 1.00 0.00 C ATOM 583 OG1 THR A 39 9.267 6.596 -3.715 1.00 0.00 O ATOM 584 CG2 THR A 39 10.103 7.825 -1.799 1.00 0.00 C ATOM 0 H THR A 39 9.448 4.939 -1.675 1.00 0.00 H new ATOM 0 HA THR A 39 7.637 7.039 -0.781 1.00 0.00 H new ATOM 0 HB THR A 39 8.271 8.193 -2.845 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.903 7.031 -4.514 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.705 8.444 -2.465 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.797 8.414 -0.934 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.693 6.971 -1.466 1.00 0.00 H new ATOM 592 N GLU A 40 5.962 6.898 -2.895 1.00 0.00 N ATOM 593 CA GLU A 40 4.771 6.596 -3.700 1.00 0.00 C ATOM 594 C GLU A 40 5.107 5.682 -4.893 1.00 0.00 C ATOM 595 O GLU A 40 4.347 4.772 -5.230 1.00 0.00 O ATOM 596 CB GLU A 40 4.166 7.910 -4.206 1.00 0.00 C ATOM 597 CG GLU A 40 3.962 8.946 -3.105 1.00 0.00 C ATOM 598 CD GLU A 40 3.711 10.340 -3.654 1.00 0.00 C ATOM 599 OE1 GLU A 40 4.541 10.818 -4.459 1.00 0.00 O ATOM 600 OE2 GLU A 40 2.703 10.967 -3.274 1.00 0.00 O ATOM 0 H GLU A 40 6.100 7.893 -2.719 1.00 0.00 H new ATOM 0 HA GLU A 40 4.055 6.066 -3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.817 8.329 -4.973 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.207 7.701 -4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.119 8.648 -2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.842 8.966 -2.462 1.00 0.00 H new ATOM 607 N ASP A 41 6.258 5.935 -5.515 1.00 0.00 N ATOM 608 CA ASP A 41 6.728 5.150 -6.665 1.00 0.00 C ATOM 609 C ASP A 41 6.909 3.664 -6.300 1.00 0.00 C ATOM 610 O ASP A 41 6.426 2.773 -7.004 1.00 0.00 O ATOM 611 CB ASP A 41 8.049 5.734 -7.172 1.00 0.00 C ATOM 612 CG ASP A 41 7.991 7.246 -7.279 1.00 0.00 C ATOM 613 OD1 ASP A 41 8.216 7.921 -6.250 1.00 0.00 O ATOM 614 OD2 ASP A 41 7.707 7.766 -8.378 1.00 0.00 O ATOM 0 H ASP A 41 6.891 6.686 -5.240 1.00 0.00 H new ATOM 0 HA ASP A 41 5.974 5.206 -7.450 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.856 5.448 -6.497 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.284 5.309 -8.148 1.00 0.00 H new ATOM 619 N MET A 42 7.596 3.406 -5.184 1.00 0.00 N ATOM 620 CA MET A 42 7.801 2.032 -4.703 1.00 0.00 C ATOM 621 C MET A 42 6.464 1.378 -4.342 1.00 0.00 C ATOM 622 O MET A 42 6.235 0.203 -4.631 1.00 0.00 O ATOM 623 CB MET A 42 8.736 2.019 -3.486 1.00 0.00 C ATOM 624 CG MET A 42 10.166 2.428 -3.809 1.00 0.00 C ATOM 625 SD MET A 42 10.926 1.350 -5.044 1.00 0.00 S ATOM 626 CE MET A 42 12.566 2.068 -5.171 1.00 0.00 C ATOM 0 H MET A 42 8.019 4.125 -4.597 1.00 0.00 H new ATOM 0 HA MET A 42 8.263 1.460 -5.507 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.338 2.691 -2.726 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.742 1.018 -3.054 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.174 3.456 -4.173 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.762 2.408 -2.897 1.00 0.00 H new ATOM 0 HE1 MET A 42 13.153 1.507 -5.898 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.485 3.106 -5.493 1.00 0.00 H new ATOM 0 HE3 MET A 42 13.057 2.027 -4.199 1.00 0.00 H new ATOM 636 N LEU A 43 5.591 2.157 -3.712 1.00 0.00 N ATOM 637 CA LEU A 43 4.243 1.702 -3.371 1.00 0.00 C ATOM 638 C LEU A 43 3.475 1.238 -4.618 1.00 0.00 C ATOM 639 O LEU A 43 2.828 0.193 -4.602 1.00 0.00 O ATOM 640 CB LEU A 43 3.488 2.827 -2.654 1.00 0.00 C ATOM 641 CG LEU A 43 4.019 3.154 -1.252 1.00 0.00 C ATOM 642 CD1 LEU A 43 3.449 4.472 -0.737 1.00 0.00 C ATOM 643 CD2 LEU A 43 3.704 2.010 -0.290 1.00 0.00 C ATOM 0 H LEU A 43 5.793 3.114 -3.424 1.00 0.00 H new ATOM 0 HA LEU A 43 4.325 0.844 -2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.535 3.728 -3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.437 2.550 -2.576 1.00 0.00 H new ATOM 0 HG LEU A 43 5.101 3.269 -1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.844 4.675 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.733 5.280 -1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.362 4.404 -0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.085 2.253 0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.625 1.865 -0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.177 1.095 -0.646 1.00 0.00 H new ATOM 655 N ARG A 44 3.553 2.012 -5.699 1.00 0.00 N ATOM 656 CA ARG A 44 2.962 1.600 -6.975 1.00 0.00 C ATOM 657 C ARG A 44 3.594 0.303 -7.481 1.00 0.00 C ATOM 658 O ARG A 44 2.897 -0.627 -7.880 1.00 0.00 O ATOM 659 CB ARG A 44 3.131 2.690 -8.037 1.00 0.00 C ATOM 660 CG ARG A 44 2.398 3.978 -7.710 1.00 0.00 C ATOM 661 CD ARG A 44 2.449 4.962 -8.868 1.00 0.00 C ATOM 662 NE ARG A 44 1.927 4.369 -10.100 1.00 0.00 N ATOM 663 CZ ARG A 44 2.416 4.599 -11.286 1.00 0.00 C ATOM 664 NH1 ARG A 44 3.407 5.422 -11.445 1.00 0.00 N ATOM 665 NH2 ARG A 44 1.910 3.992 -12.310 1.00 0.00 N ATOM 0 H ARG A 44 4.015 2.921 -5.720 1.00 0.00 H new ATOM 0 HA ARG A 44 1.899 1.434 -6.799 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.192 2.907 -8.157 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.773 2.311 -8.994 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.359 3.754 -7.468 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.841 4.434 -6.825 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.870 5.851 -8.617 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.478 5.286 -9.026 1.00 0.00 H new ATOM 0 HE ARG A 44 1.131 3.736 -10.026 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.811 5.896 -10.637 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.782 5.595 -12.378 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.135 3.340 -12.185 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.286 4.165 -13.242 1.00 0.00 H new ATOM 679 N GLY A 45 4.918 0.246 -7.451 1.00 0.00 N ATOM 680 CA GLY A 45 5.628 -0.927 -7.935 1.00 0.00 C ATOM 681 C GLY A 45 5.223 -2.224 -7.227 1.00 0.00 C ATOM 682 O GLY A 45 5.253 -3.305 -7.823 1.00 0.00 O ATOM 0 H GLY A 45 5.517 0.993 -7.099 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.448 -1.035 -9.005 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.699 -0.772 -7.806 1.00 0.00 H new ATOM 686 N ILE A 46 4.868 -2.121 -5.949 1.00 0.00 N ATOM 687 CA ILE A 46 4.406 -3.278 -5.167 1.00 0.00 C ATOM 688 C ILE A 46 2.887 -3.519 -5.322 1.00 0.00 C ATOM 689 O ILE A 46 2.446 -4.630 -5.626 1.00 0.00 O ATOM 690 CB ILE A 46 4.740 -3.093 -3.663 1.00 0.00 C ATOM 691 CG1 ILE A 46 6.250 -2.852 -3.474 1.00 0.00 C ATOM 692 CG2 ILE A 46 4.286 -4.306 -2.850 1.00 0.00 C ATOM 693 CD1 ILE A 46 6.657 -2.564 -2.041 1.00 0.00 C ATOM 0 H ILE A 46 4.890 -1.246 -5.425 1.00 0.00 H new ATOM 0 HA ILE A 46 4.932 -4.149 -5.559 1.00 0.00 H new ATOM 0 HB ILE A 46 4.199 -2.219 -3.299 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.794 -3.729 -3.826 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.555 -2.015 -4.102 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.531 -4.152 -1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.209 -4.433 -2.956 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.794 -5.199 -3.214 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.734 -2.406 -1.994 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.143 -1.669 -1.690 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.386 -3.410 -1.409 1.00 0.00 H new ATOM 705 N PHE A 47 2.099 -2.464 -5.119 1.00 0.00 N ATOM 706 CA PHE A 47 0.631 -2.572 -5.041 1.00 0.00 C ATOM 707 C PHE A 47 -0.072 -2.531 -6.415 1.00 0.00 C ATOM 708 O PHE A 47 -1.025 -3.274 -6.647 1.00 0.00 O ATOM 709 CB PHE A 47 0.080 -1.455 -4.143 1.00 0.00 C ATOM 710 CG PHE A 47 0.409 -1.629 -2.680 1.00 0.00 C ATOM 711 CD1 PHE A 47 1.693 -1.391 -2.208 1.00 0.00 C ATOM 712 CD2 PHE A 47 -0.564 -2.036 -1.777 1.00 0.00 C ATOM 713 CE1 PHE A 47 1.997 -1.552 -0.870 1.00 0.00 C ATOM 714 CE2 PHE A 47 -0.265 -2.199 -0.438 1.00 0.00 C ATOM 715 CZ PHE A 47 1.018 -1.957 0.015 1.00 0.00 C ATOM 0 H PHE A 47 2.451 -1.514 -5.004 1.00 0.00 H new ATOM 0 HA PHE A 47 0.416 -3.553 -4.617 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.477 -0.499 -4.484 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -1.003 -1.410 -4.259 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.464 -1.076 -2.896 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.568 -2.228 -2.126 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.000 -1.361 -0.517 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.032 -2.515 0.253 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.255 -2.085 1.061 1.00 0.00 H new ATOM 725 N GLU A 48 0.390 -1.667 -7.321 1.00 0.00 N ATOM 726 CA GLU A 48 -0.279 -1.476 -8.621 1.00 0.00 C ATOM 727 C GLU A 48 -0.373 -2.783 -9.451 1.00 0.00 C ATOM 728 O GLU A 48 -1.378 -3.008 -10.129 1.00 0.00 O ATOM 729 CB GLU A 48 0.413 -0.361 -9.427 1.00 0.00 C ATOM 730 CG GLU A 48 -0.389 0.126 -10.629 1.00 0.00 C ATOM 731 CD GLU A 48 0.185 1.396 -11.243 1.00 0.00 C ATOM 732 OE1 GLU A 48 1.044 1.294 -12.141 1.00 0.00 O ATOM 733 OE2 GLU A 48 -0.211 2.502 -10.822 1.00 0.00 O ATOM 0 H GLU A 48 1.219 -1.089 -7.185 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.304 -1.174 -8.406 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.607 0.484 -8.766 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.381 -0.724 -9.772 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.415 -0.659 -11.385 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.419 0.309 -10.323 1.00 0.00 H new ATOM 740 N PRO A 49 0.661 -3.668 -9.431 1.00 0.00 N ATOM 741 CA PRO A 49 0.563 -5.011 -10.048 1.00 0.00 C ATOM 742 C PRO A 49 -0.670 -5.827 -9.592 1.00 0.00 C ATOM 743 O PRO A 49 -0.985 -6.868 -10.176 1.00 0.00 O ATOM 744 CB PRO A 49 1.853 -5.698 -9.592 1.00 0.00 C ATOM 745 CG PRO A 49 2.820 -4.581 -9.413 1.00 0.00 C ATOM 746 CD PRO A 49 2.014 -3.426 -8.882 1.00 0.00 C ATOM 0 HA PRO A 49 0.443 -4.937 -11.129 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.704 -6.248 -8.663 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.206 -6.415 -10.334 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.613 -4.857 -8.718 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.299 -4.323 -10.357 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.008 -3.408 -7.792 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.417 -2.469 -9.214 1.00 0.00 H new ATOM 754 N PHE A 50 -1.348 -5.373 -8.533 1.00 0.00 N ATOM 755 CA PHE A 50 -2.618 -5.983 -8.097 1.00 0.00 C ATOM 756 C PHE A 50 -3.819 -5.287 -8.755 1.00 0.00 C ATOM 757 O PHE A 50 -4.854 -5.908 -9.011 1.00 0.00 O ATOM 758 CB PHE A 50 -2.764 -5.911 -6.570 1.00 0.00 C ATOM 759 CG PHE A 50 -1.806 -6.799 -5.820 1.00 0.00 C ATOM 760 CD1 PHE A 50 -2.127 -8.124 -5.568 1.00 0.00 C ATOM 761 CD2 PHE A 50 -0.591 -6.311 -5.361 1.00 0.00 C ATOM 762 CE1 PHE A 50 -1.258 -8.942 -4.876 1.00 0.00 C ATOM 763 CE2 PHE A 50 0.280 -7.126 -4.665 1.00 0.00 C ATOM 764 CZ PHE A 50 -0.054 -8.443 -4.423 1.00 0.00 C ATOM 0 H PHE A 50 -1.043 -4.587 -7.960 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.600 -7.028 -8.406 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.614 -4.880 -6.249 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.784 -6.184 -6.300 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.069 -8.521 -5.918 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.323 -5.282 -5.550 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.520 -9.973 -4.689 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.221 -6.733 -4.310 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.626 -9.082 -3.880 1.00 0.00 H new ATOM 774 N GLY A 51 -3.660 -3.994 -9.019 1.00 0.00 N ATOM 775 CA GLY A 51 -4.708 -3.197 -9.638 1.00 0.00 C ATOM 776 C GLY A 51 -4.259 -1.758 -9.855 1.00 0.00 C ATOM 777 O GLY A 51 -3.657 -1.159 -8.963 1.00 0.00 O ATOM 0 H GLY A 51 -2.807 -3.474 -8.811 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.987 -3.640 -10.594 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.597 -3.211 -9.008 1.00 0.00 H new ATOM 781 N ARG A 52 -4.529 -1.210 -11.041 1.00 0.00 N ATOM 782 CA ARG A 52 -4.122 0.165 -11.373 1.00 0.00 C ATOM 783 C ARG A 52 -4.519 1.160 -10.265 1.00 0.00 C ATOM 784 O ARG A 52 -5.668 1.187 -9.814 1.00 0.00 O ATOM 785 CB ARG A 52 -4.712 0.594 -12.733 1.00 0.00 C ATOM 786 CG ARG A 52 -4.284 1.998 -13.184 1.00 0.00 C ATOM 787 CD ARG A 52 -5.245 3.088 -12.706 1.00 0.00 C ATOM 788 NE ARG A 52 -4.571 4.369 -12.504 1.00 0.00 N ATOM 789 CZ ARG A 52 -5.014 5.516 -12.943 1.00 0.00 C ATOM 790 NH1 ARG A 52 -6.048 5.577 -13.718 1.00 0.00 N ATOM 791 NH2 ARG A 52 -4.409 6.608 -12.608 1.00 0.00 N ATOM 0 H ARG A 52 -5.027 -1.693 -11.789 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.035 0.178 -11.448 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.411 -0.128 -13.492 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.800 0.559 -12.673 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.284 2.208 -12.804 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.224 2.023 -14.272 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.044 3.211 -13.437 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.712 2.774 -11.773 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.694 4.367 -11.984 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.529 4.721 -13.994 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.382 6.481 -14.053 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.589 6.572 -12.003 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.752 7.506 -12.949 1.00 0.00 H new ATOM 805 N ILE A 53 -3.554 1.971 -9.841 1.00 0.00 N ATOM 806 CA ILE A 53 -3.749 2.915 -8.740 1.00 0.00 C ATOM 807 C ILE A 53 -4.127 4.321 -9.243 1.00 0.00 C ATOM 808 O ILE A 53 -3.451 4.893 -10.102 1.00 0.00 O ATOM 809 CB ILE A 53 -2.471 2.997 -7.867 1.00 0.00 C ATOM 810 CG1 ILE A 53 -2.147 1.608 -7.283 1.00 0.00 C ATOM 811 CG2 ILE A 53 -2.629 4.035 -6.755 1.00 0.00 C ATOM 812 CD1 ILE A 53 -0.845 1.542 -6.513 1.00 0.00 C ATOM 0 H ILE A 53 -2.619 1.994 -10.247 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.579 2.542 -8.140 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.640 3.316 -8.496 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.961 1.306 -6.624 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.111 0.884 -8.097 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.717 4.071 -6.159 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.813 5.015 -7.195 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.469 3.760 -6.117 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.695 0.530 -6.137 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.019 1.810 -7.171 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.882 2.238 -5.675 1.00 0.00 H new ATOM 824 N GLU A 54 -5.208 4.867 -8.689 1.00 0.00 N ATOM 825 CA GLU A 54 -5.693 6.206 -9.045 1.00 0.00 C ATOM 826 C GLU A 54 -4.779 7.295 -8.462 1.00 0.00 C ATOM 827 O GLU A 54 -4.249 8.142 -9.187 1.00 0.00 O ATOM 828 CB GLU A 54 -7.126 6.392 -8.518 1.00 0.00 C ATOM 829 CG GLU A 54 -8.184 5.572 -9.261 1.00 0.00 C ATOM 830 CD GLU A 54 -8.681 6.250 -10.533 1.00 0.00 C ATOM 831 OE1 GLU A 54 -9.445 7.234 -10.425 1.00 0.00 O ATOM 832 OE2 GLU A 54 -8.326 5.801 -11.643 1.00 0.00 O ATOM 0 H GLU A 54 -5.774 4.398 -7.982 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.686 6.299 -10.131 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.150 6.122 -7.462 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.390 7.448 -8.583 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.767 4.597 -9.515 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.030 5.394 -8.597 1.00 0.00 H new ATOM 839 N SER A 55 -4.617 7.274 -7.140 1.00 0.00 N ATOM 840 CA SER A 55 -3.771 8.252 -6.445 1.00 0.00 C ATOM 841 C SER A 55 -3.184 7.676 -5.150 1.00 0.00 C ATOM 842 O SER A 55 -3.803 6.835 -4.494 1.00 0.00 O ATOM 843 CB SER A 55 -4.569 9.522 -6.121 1.00 0.00 C ATOM 844 OG SER A 55 -3.767 10.482 -5.442 1.00 0.00 O ATOM 0 H SER A 55 -5.060 6.591 -6.525 1.00 0.00 H new ATOM 0 HA SER A 55 -2.948 8.499 -7.116 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.955 9.956 -7.043 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.430 9.265 -5.505 1.00 0.00 H new ATOM 0 HG SER A 55 -4.303 11.280 -5.251 1.00 0.00 H new ATOM 850 N ILE A 56 -1.990 8.139 -4.787 1.00 0.00 N ATOM 851 CA ILE A 56 -1.353 7.761 -3.519 1.00 0.00 C ATOM 852 C ILE A 56 -1.080 9.004 -2.660 1.00 0.00 C ATOM 853 O ILE A 56 -0.698 10.056 -3.176 1.00 0.00 O ATOM 854 CB ILE A 56 -0.019 6.996 -3.745 1.00 0.00 C ATOM 855 CG1 ILE A 56 -0.269 5.692 -4.522 1.00 0.00 C ATOM 856 CG2 ILE A 56 0.674 6.705 -2.408 1.00 0.00 C ATOM 857 CD1 ILE A 56 0.969 4.838 -4.706 1.00 0.00 C ATOM 0 H ILE A 56 -1.437 8.781 -5.355 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.047 7.099 -3.001 1.00 0.00 H new ATOM 0 HB ILE A 56 0.641 7.628 -4.339 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.026 5.108 -3.998 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.678 5.938 -5.502 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.605 6.169 -2.590 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.889 7.644 -1.898 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.020 6.095 -1.785 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.710 3.937 -5.263 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.721 5.402 -5.258 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.367 4.560 -3.730 1.00 0.00 H new ATOM 869 N GLN A 57 -1.293 8.879 -1.356 1.00 0.00 N ATOM 870 CA GLN A 57 -1.049 9.976 -0.415 1.00 0.00 C ATOM 871 C GLN A 57 -0.047 9.542 0.668 1.00 0.00 C ATOM 872 O GLN A 57 -0.364 8.718 1.527 1.00 0.00 O ATOM 873 CB GLN A 57 -2.372 10.417 0.230 1.00 0.00 C ATOM 874 CG GLN A 57 -2.268 11.687 1.073 1.00 0.00 C ATOM 875 CD GLN A 57 -1.945 12.927 0.247 1.00 0.00 C ATOM 876 OE1 GLN A 57 -2.314 13.029 -0.920 1.00 0.00 O ATOM 877 NE2 GLN A 57 -1.262 13.881 0.845 1.00 0.00 N ATOM 0 H GLN A 57 -1.637 8.024 -0.919 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.623 10.818 -0.961 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.110 10.576 -0.556 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -2.744 9.608 0.858 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.209 11.844 1.601 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -1.496 11.551 1.831 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.969 13.767 1.815 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.026 14.734 0.338 1.00 0.00 H new ATOM 886 N LEU A 58 1.159 10.100 0.625 1.00 0.00 N ATOM 887 CA LEU A 58 2.227 9.727 1.563 1.00 0.00 C ATOM 888 C LEU A 58 2.297 10.752 2.709 1.00 0.00 C ATOM 889 O LEU A 58 2.352 11.958 2.470 1.00 0.00 O ATOM 890 CB LEU A 58 3.568 9.656 0.799 1.00 0.00 C ATOM 891 CG LEU A 58 4.651 8.730 1.394 1.00 0.00 C ATOM 892 CD1 LEU A 58 5.829 8.595 0.431 1.00 0.00 C ATOM 893 CD2 LEU A 58 5.138 9.229 2.752 1.00 0.00 C ATOM 0 H LEU A 58 1.427 10.816 -0.050 1.00 0.00 H new ATOM 0 HA LEU A 58 2.018 8.749 1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.363 9.330 -0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.978 10.664 0.735 1.00 0.00 H new ATOM 0 HG LEU A 58 4.197 7.750 1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.582 7.939 0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.482 8.172 -0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.265 9.577 0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.899 8.551 3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.563 10.227 2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.300 9.267 3.448 1.00 0.00 H new ATOM 905 N MET A 59 2.298 10.274 3.955 1.00 0.00 N ATOM 906 CA MET A 59 2.231 11.174 5.112 1.00 0.00 C ATOM 907 C MET A 59 3.622 11.535 5.656 1.00 0.00 C ATOM 908 O MET A 59 4.220 10.799 6.447 1.00 0.00 O ATOM 909 CB MET A 59 1.367 10.566 6.225 1.00 0.00 C ATOM 910 CG MET A 59 -0.056 10.228 5.786 1.00 0.00 C ATOM 911 SD MET A 59 -1.167 9.944 7.180 1.00 0.00 S ATOM 912 CE MET A 59 -1.211 11.581 7.915 1.00 0.00 C ATOM 0 H MET A 59 2.344 9.282 4.189 1.00 0.00 H new ATOM 0 HA MET A 59 1.768 12.098 4.765 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.849 9.660 6.592 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.323 11.265 7.061 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.447 11.042 5.176 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.036 9.339 5.156 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.154 11.717 8.444 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.383 11.687 8.616 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.122 12.334 7.132 1.00 0.00 H new ATOM 1033 N LYS A 68 6.663 9.877 8.552 1.00 0.00 N ATOM 1034 CA LYS A 68 5.919 9.214 9.637 1.00 0.00 C ATOM 1035 C LYS A 68 5.742 7.703 9.391 1.00 0.00 C ATOM 1036 O LYS A 68 5.332 6.964 10.289 1.00 0.00 O ATOM 1037 CB LYS A 68 4.561 9.899 9.861 1.00 0.00 C ATOM 1038 CG LYS A 68 4.615 11.001 10.916 1.00 0.00 C ATOM 1039 CD LYS A 68 3.293 11.752 11.039 1.00 0.00 C ATOM 1040 CE LYS A 68 3.225 12.561 12.333 1.00 0.00 C ATOM 1041 NZ LYS A 68 4.460 13.357 12.567 1.00 0.00 N ATOM 0 HA LYS A 68 6.515 9.317 10.544 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.214 10.323 8.918 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.828 9.151 10.163 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.873 10.564 11.881 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.408 11.705 10.662 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.172 12.419 10.185 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.466 11.042 11.009 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.366 13.230 12.296 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.066 11.885 13.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.294 14.038 13.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.239 12.720 12.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.712 13.870 11.698 1.00 0.00 H new ATOM 1055 N GLY A 69 6.045 7.252 8.175 1.00 0.00 N ATOM 1056 CA GLY A 69 6.126 5.816 7.905 1.00 0.00 C ATOM 1057 C GLY A 69 4.822 5.158 7.449 1.00 0.00 C ATOM 1058 O GLY A 69 4.718 3.932 7.454 1.00 0.00 O ATOM 0 H GLY A 69 6.236 7.850 7.371 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.884 5.650 7.139 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.470 5.313 8.809 1.00 0.00 H new ATOM 1062 N TYR A 70 3.830 5.946 7.040 1.00 0.00 N ATOM 1063 CA TYR A 70 2.573 5.378 6.527 1.00 0.00 C ATOM 1064 C TYR A 70 1.931 6.246 5.436 1.00 0.00 C ATOM 1065 O TYR A 70 2.134 7.463 5.381 1.00 0.00 O ATOM 1066 CB TYR A 70 1.574 5.111 7.670 1.00 0.00 C ATOM 1067 CG TYR A 70 1.507 6.191 8.735 1.00 0.00 C ATOM 1068 CD1 TYR A 70 0.958 7.442 8.470 1.00 0.00 C ATOM 1069 CD2 TYR A 70 1.976 5.943 10.022 1.00 0.00 C ATOM 1070 CE1 TYR A 70 0.884 8.411 9.453 1.00 0.00 C ATOM 1071 CE2 TYR A 70 1.907 6.907 11.006 1.00 0.00 C ATOM 1072 CZ TYR A 70 1.361 8.138 10.720 1.00 0.00 C ATOM 1073 OH TYR A 70 1.286 9.098 11.706 1.00 0.00 O ATOM 0 H TYR A 70 3.864 6.965 7.051 1.00 0.00 H new ATOM 0 HA TYR A 70 2.833 4.426 6.063 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.580 4.985 7.240 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.837 4.167 8.148 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.584 7.659 7.480 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.402 4.978 10.254 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.455 9.377 9.231 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.280 6.697 11.998 1.00 0.00 H new ATOM 0 HH TYR A 70 1.665 8.743 12.537 1.00 0.00 H new ATOM 1083 N GLY A 71 1.169 5.593 4.557 1.00 0.00 N ATOM 1084 CA GLY A 71 0.495 6.286 3.461 1.00 0.00 C ATOM 1085 C GLY A 71 -0.804 5.604 3.030 1.00 0.00 C ATOM 1086 O GLY A 71 -1.023 4.425 3.314 1.00 0.00 O ATOM 0 H GLY A 71 1.004 4.587 4.584 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.277 7.310 3.765 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.169 6.344 2.606 1.00 0.00 H new ATOM 1090 N PHE A 72 -1.670 6.350 2.342 1.00 0.00 N ATOM 1091 CA PHE A 72 -2.948 5.814 1.849 1.00 0.00 C ATOM 1092 C PHE A 72 -2.937 5.650 0.321 1.00 0.00 C ATOM 1093 O PHE A 72 -2.650 6.596 -0.413 1.00 0.00 O ATOM 1094 CB PHE A 72 -4.105 6.737 2.262 1.00 0.00 C ATOM 1095 CG PHE A 72 -4.312 6.821 3.754 1.00 0.00 C ATOM 1096 CD1 PHE A 72 -5.163 5.932 4.400 1.00 0.00 C ATOM 1097 CD2 PHE A 72 -3.661 7.788 4.510 1.00 0.00 C ATOM 1098 CE1 PHE A 72 -5.358 6.008 5.766 1.00 0.00 C ATOM 1099 CE2 PHE A 72 -3.853 7.866 5.875 1.00 0.00 C ATOM 1100 CZ PHE A 72 -4.702 6.975 6.504 1.00 0.00 C ATOM 0 H PHE A 72 -1.512 7.331 2.111 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.089 4.830 2.296 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.916 7.738 1.874 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -5.025 6.383 1.796 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.677 5.174 3.828 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.997 8.487 4.024 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.023 5.312 6.257 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.340 8.622 6.451 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.853 7.034 7.572 1.00 0.00 H new ATOM 1110 N ILE A 73 -3.258 4.448 -0.155 1.00 0.00 N ATOM 1111 CA ILE A 73 -3.276 4.160 -1.595 1.00 0.00 C ATOM 1112 C ILE A 73 -4.703 3.900 -2.102 1.00 0.00 C ATOM 1113 O ILE A 73 -5.446 3.116 -1.516 1.00 0.00 O ATOM 1114 CB ILE A 73 -2.389 2.933 -1.928 1.00 0.00 C ATOM 1115 CG1 ILE A 73 -0.949 3.173 -1.450 1.00 0.00 C ATOM 1116 CG2 ILE A 73 -2.416 2.636 -3.427 1.00 0.00 C ATOM 1117 CD1 ILE A 73 -0.034 1.981 -1.643 1.00 0.00 C ATOM 0 H ILE A 73 -3.510 3.654 0.434 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.879 5.042 -2.098 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.789 2.065 -1.404 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.536 4.027 -1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.966 3.438 -0.393 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.787 1.771 -3.638 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.439 2.425 -3.738 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.041 3.500 -3.976 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.965 2.227 -1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.423 1.130 -1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.015 1.728 -2.702 1.00 0.00 H new ATOM 1129 N THR A 74 -5.076 4.557 -3.199 1.00 0.00 N ATOM 1130 CA THR A 74 -6.418 4.390 -3.790 1.00 0.00 C ATOM 1131 C THR A 74 -6.360 3.603 -5.106 1.00 0.00 C ATOM 1132 O THR A 74 -5.726 4.035 -6.069 1.00 0.00 O ATOM 1133 CB THR A 74 -7.099 5.756 -4.064 1.00 0.00 C ATOM 1134 OG1 THR A 74 -7.233 6.498 -2.842 1.00 0.00 O ATOM 1135 CG2 THR A 74 -8.478 5.577 -4.700 1.00 0.00 C ATOM 0 H THR A 74 -4.475 5.210 -3.701 1.00 0.00 H new ATOM 0 HA THR A 74 -7.004 3.834 -3.058 1.00 0.00 H new ATOM 0 HB THR A 74 -6.465 6.304 -4.761 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.663 7.359 -3.028 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.926 6.554 -4.878 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.376 5.047 -5.647 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.116 5.002 -4.029 1.00 0.00 H new ATOM 1143 N PHE A 75 -7.049 2.465 -5.151 1.00 0.00 N ATOM 1144 CA PHE A 75 -7.085 1.619 -6.353 1.00 0.00 C ATOM 1145 C PHE A 75 -8.367 1.860 -7.166 1.00 0.00 C ATOM 1146 O PHE A 75 -9.417 2.179 -6.606 1.00 0.00 O ATOM 1147 CB PHE A 75 -7.011 0.133 -5.968 1.00 0.00 C ATOM 1148 CG PHE A 75 -5.748 -0.261 -5.242 1.00 0.00 C ATOM 1149 CD1 PHE A 75 -5.549 0.104 -3.917 1.00 0.00 C ATOM 1150 CD2 PHE A 75 -4.766 -1.002 -5.881 1.00 0.00 C ATOM 1151 CE1 PHE A 75 -4.399 -0.263 -3.248 1.00 0.00 C ATOM 1152 CE2 PHE A 75 -3.615 -1.372 -5.213 1.00 0.00 C ATOM 1153 CZ PHE A 75 -3.432 -1.002 -3.895 1.00 0.00 C ATOM 0 H PHE A 75 -7.593 2.102 -4.369 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.222 1.885 -6.964 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.868 -0.110 -5.339 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.098 -0.469 -6.873 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.303 0.682 -3.404 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.902 -1.293 -6.912 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.257 0.029 -2.218 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.858 -1.951 -5.721 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.532 -1.291 -3.372 1.00 0.00 H new ATOM 1163 N SER A 76 -8.280 1.677 -8.483 1.00 0.00 N ATOM 1164 CA SER A 76 -9.441 1.842 -9.378 1.00 0.00 C ATOM 1165 C SER A 76 -10.411 0.645 -9.289 1.00 0.00 C ATOM 1166 O SER A 76 -11.325 0.512 -10.105 1.00 0.00 O ATOM 1167 CB SER A 76 -8.964 2.008 -10.830 1.00 0.00 C ATOM 1168 OG SER A 76 -7.950 2.996 -10.930 1.00 0.00 O ATOM 0 H SER A 76 -7.419 1.414 -8.961 1.00 0.00 H new ATOM 0 HA SER A 76 -9.978 2.735 -9.057 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.585 1.056 -11.202 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.807 2.284 -11.463 1.00 0.00 H new ATOM 0 HG SER A 76 -8.325 3.811 -11.324 1.00 0.00 H new ATOM 1174 N ASP A 77 -10.203 -0.222 -8.300 1.00 0.00 N ATOM 1175 CA ASP A 77 -11.038 -1.414 -8.117 1.00 0.00 C ATOM 1176 C ASP A 77 -11.040 -1.859 -6.641 1.00 0.00 C ATOM 1177 O ASP A 77 -10.035 -1.720 -5.937 1.00 0.00 O ATOM 1178 CB ASP A 77 -10.519 -2.549 -9.013 1.00 0.00 C ATOM 1179 CG ASP A 77 -11.473 -3.732 -9.075 1.00 0.00 C ATOM 1180 OD1 ASP A 77 -11.494 -4.537 -8.123 1.00 0.00 O ATOM 1181 OD2 ASP A 77 -12.197 -3.861 -10.085 1.00 0.00 O ATOM 0 H ASP A 77 -9.460 -0.123 -7.608 1.00 0.00 H new ATOM 0 HA ASP A 77 -12.062 -1.171 -8.399 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.357 -2.166 -10.020 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.552 -2.887 -8.641 1.00 0.00 H new ATOM 1186 N SER A 78 -12.171 -2.393 -6.183 1.00 0.00 N ATOM 1187 CA SER A 78 -12.317 -2.848 -4.791 1.00 0.00 C ATOM 1188 C SER A 78 -11.585 -4.174 -4.540 1.00 0.00 C ATOM 1189 O SER A 78 -10.832 -4.307 -3.575 1.00 0.00 O ATOM 1190 CB SER A 78 -13.802 -3.004 -4.429 1.00 0.00 C ATOM 1191 OG SER A 78 -13.967 -3.585 -3.141 1.00 0.00 O ATOM 0 H SER A 78 -13.006 -2.524 -6.754 1.00 0.00 H new ATOM 0 HA SER A 78 -11.864 -2.086 -4.156 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.288 -2.029 -4.454 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.296 -3.626 -5.176 1.00 0.00 H new ATOM 0 HG SER A 78 -14.922 -3.669 -2.940 1.00 0.00 H new ATOM 1197 N GLU A 79 -11.791 -5.150 -5.420 1.00 0.00 N ATOM 1198 CA GLU A 79 -11.223 -6.489 -5.230 1.00 0.00 C ATOM 1199 C GLU A 79 -9.702 -6.489 -5.436 1.00 0.00 C ATOM 1200 O GLU A 79 -8.988 -7.274 -4.814 1.00 0.00 O ATOM 1201 CB GLU A 79 -11.890 -7.494 -6.173 1.00 0.00 C ATOM 1202 CG GLU A 79 -13.403 -7.575 -6.004 1.00 0.00 C ATOM 1203 CD GLU A 79 -14.034 -8.673 -6.841 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -13.920 -8.620 -8.083 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -14.667 -9.583 -6.261 1.00 0.00 O ATOM 0 H GLU A 79 -12.345 -5.043 -6.270 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.420 -6.789 -4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.662 -7.220 -7.203 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.460 -8.481 -6.002 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.637 -7.746 -4.953 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -13.846 -6.617 -6.277 1.00 0.00 H new ATOM 1212 N CYS A 80 -9.215 -5.610 -6.310 1.00 0.00 N ATOM 1213 CA CYS A 80 -7.767 -5.433 -6.498 1.00 0.00 C ATOM 1214 C CYS A 80 -7.086 -4.999 -5.191 1.00 0.00 C ATOM 1215 O CYS A 80 -6.052 -5.547 -4.805 1.00 0.00 O ATOM 1216 CB CYS A 80 -7.485 -4.401 -7.595 1.00 0.00 C ATOM 1217 SG CYS A 80 -7.997 -4.914 -9.252 1.00 0.00 S ATOM 0 H CYS A 80 -9.794 -5.010 -6.898 1.00 0.00 H new ATOM 0 HA CYS A 80 -7.355 -6.396 -6.801 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -7.995 -3.471 -7.342 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -6.417 -4.186 -7.608 1.00 0.00 H new ATOM 0 HG CYS A 80 -7.005 -5.506 -9.849 1.00 0.00 H new ATOM 1223 N ALA A 81 -7.680 -4.016 -4.515 1.00 0.00 N ATOM 1224 CA ALA A 81 -7.178 -3.548 -3.217 1.00 0.00 C ATOM 1225 C ALA A 81 -7.356 -4.628 -2.140 1.00 0.00 C ATOM 1226 O ALA A 81 -6.451 -4.889 -1.347 1.00 0.00 O ATOM 1227 CB ALA A 81 -7.896 -2.266 -2.811 1.00 0.00 C ATOM 0 H ALA A 81 -8.512 -3.525 -4.843 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.112 -3.340 -3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.517 -1.926 -1.847 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.719 -1.496 -3.562 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.966 -2.457 -2.733 1.00 0.00 H new ATOM 1233 N LYS A 82 -8.531 -5.251 -2.127 1.00 0.00 N ATOM 1234 CA LYS A 82 -8.831 -6.348 -1.201 1.00 0.00 C ATOM 1235 C LYS A 82 -7.778 -7.469 -1.301 1.00 0.00 C ATOM 1236 O LYS A 82 -7.267 -7.954 -0.287 1.00 0.00 O ATOM 1237 CB LYS A 82 -10.228 -6.898 -1.515 1.00 0.00 C ATOM 1238 CG LYS A 82 -10.715 -7.978 -0.555 1.00 0.00 C ATOM 1239 CD LYS A 82 -12.091 -8.507 -0.956 1.00 0.00 C ATOM 1240 CE LYS A 82 -13.135 -7.394 -1.020 1.00 0.00 C ATOM 1241 NZ LYS A 82 -14.458 -7.898 -1.471 1.00 0.00 N ATOM 0 H LYS A 82 -9.301 -5.014 -2.753 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.805 -5.965 -0.181 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.940 -6.073 -1.504 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.226 -7.304 -2.527 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -9.999 -8.800 -0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.760 -7.573 0.456 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.022 -8.996 -1.928 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.411 -9.264 -0.240 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.238 -6.936 -0.036 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.793 -6.614 -1.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.138 -7.111 -1.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.366 -8.312 -2.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.797 -8.624 -0.808 1.00 0.00 H new ATOM 1255 N LYS A 83 -7.458 -7.865 -2.532 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.440 -8.893 -2.786 1.00 0.00 C ATOM 1257 C LYS A 83 -5.035 -8.400 -2.406 1.00 0.00 C ATOM 1258 O LYS A 83 -4.252 -9.137 -1.802 1.00 0.00 O ATOM 1259 CB LYS A 83 -6.474 -9.317 -4.263 1.00 0.00 C ATOM 1260 CG LYS A 83 -5.390 -10.324 -4.644 1.00 0.00 C ATOM 1261 CD LYS A 83 -5.487 -10.765 -6.107 1.00 0.00 C ATOM 1262 CE LYS A 83 -6.535 -11.862 -6.323 1.00 0.00 C ATOM 1263 NZ LYS A 83 -7.926 -11.408 -6.044 1.00 0.00 N ATOM 0 H LYS A 83 -7.890 -7.489 -3.376 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.670 -9.755 -2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.450 -9.748 -4.485 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.368 -8.430 -4.888 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.410 -9.882 -4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.468 -11.199 -3.998 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.735 -9.903 -6.727 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.514 -11.127 -6.439 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.475 -12.215 -7.352 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.301 -12.711 -5.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.595 -11.971 -6.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.135 -11.532 -5.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.021 -10.404 -6.296 1.00 0.00 H new ATOM 1277 N ALA A 84 -4.720 -7.154 -2.763 1.00 0.00 N ATOM 1278 CA ALA A 84 -3.434 -6.552 -2.399 1.00 0.00 C ATOM 1279 C ALA A 84 -3.197 -6.636 -0.888 1.00 0.00 C ATOM 1280 O ALA A 84 -2.116 -7.013 -0.434 1.00 0.00 O ATOM 1281 CB ALA A 84 -3.375 -5.100 -2.867 1.00 0.00 C ATOM 0 H ALA A 84 -5.334 -6.543 -3.302 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.644 -7.113 -2.898 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.414 -4.667 -2.589 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.491 -5.062 -3.950 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.178 -4.533 -2.396 1.00 0.00 H new ATOM 1287 N LEU A 85 -4.228 -6.300 -0.118 1.00 0.00 N ATOM 1288 CA LEU A 85 -4.176 -6.393 1.342 1.00 0.00 C ATOM 1289 C LEU A 85 -3.845 -7.826 1.781 1.00 0.00 C ATOM 1290 O LEU A 85 -2.902 -8.048 2.536 1.00 0.00 O ATOM 1291 CB LEU A 85 -5.521 -5.932 1.940 1.00 0.00 C ATOM 1292 CG LEU A 85 -5.586 -5.800 3.482 1.00 0.00 C ATOM 1293 CD1 LEU A 85 -6.740 -4.887 3.888 1.00 0.00 C ATOM 1294 CD2 LEU A 85 -5.744 -7.161 4.164 1.00 0.00 C ATOM 0 H LEU A 85 -5.117 -5.958 -0.482 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.385 -5.740 1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.774 -4.965 1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.292 -6.635 1.625 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.642 -5.365 3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.773 -4.804 4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.593 -3.899 3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.679 -5.306 3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.785 -7.024 5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.665 -7.634 3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.895 -7.795 3.911 1.00 0.00 H new ATOM 1306 N GLU A 86 -4.613 -8.796 1.280 1.00 0.00 N ATOM 1307 CA GLU A 86 -4.443 -10.205 1.667 1.00 0.00 C ATOM 1308 C GLU A 86 -3.008 -10.712 1.418 1.00 0.00 C ATOM 1309 O GLU A 86 -2.475 -11.505 2.196 1.00 0.00 O ATOM 1310 CB GLU A 86 -5.440 -11.093 0.901 1.00 0.00 C ATOM 1311 CG GLU A 86 -6.909 -10.782 1.182 1.00 0.00 C ATOM 1312 CD GLU A 86 -7.301 -11.012 2.635 1.00 0.00 C ATOM 1313 OE1 GLU A 86 -7.346 -12.184 3.065 1.00 0.00 O ATOM 1314 OE2 GLU A 86 -7.577 -10.027 3.355 1.00 0.00 O ATOM 0 H GLU A 86 -5.360 -8.635 0.605 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.637 -10.266 2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.257 -10.985 -0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.247 -12.136 1.154 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.112 -9.744 0.917 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.535 -11.403 0.541 1.00 0.00 H new ATOM 1321 N GLN A 87 -2.378 -10.243 0.342 1.00 0.00 N ATOM 1322 CA GLN A 87 -1.057 -10.740 -0.052 1.00 0.00 C ATOM 1323 C GLN A 87 0.080 -9.967 0.636 1.00 0.00 C ATOM 1324 O GLN A 87 1.105 -10.546 1.003 1.00 0.00 O ATOM 1325 CB GLN A 87 -0.898 -10.654 -1.575 1.00 0.00 C ATOM 1326 CG GLN A 87 -1.949 -11.438 -2.362 1.00 0.00 C ATOM 1327 CD GLN A 87 -1.851 -12.948 -2.183 1.00 0.00 C ATOM 1328 OE1 GLN A 87 -1.452 -13.453 -1.137 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -2.216 -13.686 -3.211 1.00 0.00 N ATOM 0 H GLN A 87 -2.758 -9.522 -0.272 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.990 -11.780 0.268 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -0.943 -9.607 -1.875 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.092 -11.021 -1.847 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.941 -11.108 -2.053 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.849 -11.200 -3.421 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -2.544 -13.240 -4.068 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -2.171 -14.703 -3.150 1.00 0.00 H new ATOM 1338 N LEU A 88 -0.113 -8.663 0.817 1.00 0.00 N ATOM 1339 CA LEU A 88 0.946 -7.786 1.333 1.00 0.00 C ATOM 1340 C LEU A 88 0.848 -7.564 2.855 1.00 0.00 C ATOM 1341 O LEU A 88 1.800 -7.092 3.480 1.00 0.00 O ATOM 1342 CB LEU A 88 0.910 -6.450 0.584 1.00 0.00 C ATOM 1343 CG LEU A 88 1.085 -6.572 -0.938 1.00 0.00 C ATOM 1344 CD1 LEU A 88 0.910 -5.222 -1.620 1.00 0.00 C ATOM 1345 CD2 LEU A 88 2.444 -7.183 -1.277 1.00 0.00 C ATOM 0 H LEU A 88 -0.992 -8.186 0.615 1.00 0.00 H new ATOM 0 HA LEU A 88 1.901 -8.281 1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.040 -5.957 0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.696 -5.805 0.978 1.00 0.00 H new ATOM 0 HG LEU A 88 0.308 -7.238 -1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.039 -5.338 -2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.089 -4.837 -1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.654 -4.523 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.548 -7.261 -2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.237 -6.549 -0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.517 -8.176 -0.833 1.00 0.00 H new ATOM 1357 N ASN A 89 -0.293 -7.900 3.452 1.00 0.00 N ATOM 1358 CA ASN A 89 -0.438 -7.837 4.910 1.00 0.00 C ATOM 1359 C ASN A 89 0.518 -8.839 5.581 1.00 0.00 C ATOM 1360 O ASN A 89 0.289 -10.052 5.552 1.00 0.00 O ATOM 1361 CB ASN A 89 -1.889 -8.127 5.317 1.00 0.00 C ATOM 1362 CG ASN A 89 -2.115 -8.014 6.813 1.00 0.00 C ATOM 1363 OD1 ASN A 89 -1.925 -8.970 7.557 1.00 0.00 O ATOM 1364 ND2 ASN A 89 -2.543 -6.852 7.264 1.00 0.00 N ATOM 0 H ASN A 89 -1.126 -8.217 2.956 1.00 0.00 H new ATOM 0 HA ASN A 89 -0.181 -6.832 5.244 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -2.552 -7.433 4.801 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -2.160 -9.130 4.988 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -2.727 -6.728 8.260 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -2.691 -6.077 6.617 1.00 0.00 H new ATOM 1371 N GLY A 90 1.599 -8.326 6.160 1.00 0.00 N ATOM 1372 CA GLY A 90 2.613 -9.188 6.762 1.00 0.00 C ATOM 1373 C GLY A 90 3.759 -9.514 5.806 1.00 0.00 C ATOM 1374 O GLY A 90 4.515 -10.463 6.026 1.00 0.00 O ATOM 0 H GLY A 90 1.796 -7.327 6.226 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.015 -8.702 7.651 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.145 -10.116 7.091 1.00 0.00 H new ATOM 1378 N PHE A 91 3.876 -8.730 4.733 1.00 0.00 N ATOM 1379 CA PHE A 91 4.959 -8.892 3.753 1.00 0.00 C ATOM 1380 C PHE A 91 6.278 -8.311 4.282 1.00 0.00 C ATOM 1381 O PHE A 91 6.306 -7.203 4.815 1.00 0.00 O ATOM 1382 CB PHE A 91 4.573 -8.210 2.430 1.00 0.00 C ATOM 1383 CG PHE A 91 5.632 -8.299 1.355 1.00 0.00 C ATOM 1384 CD1 PHE A 91 5.804 -9.469 0.627 1.00 0.00 C ATOM 1385 CD2 PHE A 91 6.455 -7.215 1.073 1.00 0.00 C ATOM 1386 CE1 PHE A 91 6.772 -9.555 -0.357 1.00 0.00 C ATOM 1387 CE2 PHE A 91 7.423 -7.297 0.090 1.00 0.00 C ATOM 1388 CZ PHE A 91 7.581 -8.467 -0.626 1.00 0.00 C ATOM 0 H PHE A 91 3.230 -7.970 4.517 1.00 0.00 H new ATOM 0 HA PHE A 91 5.106 -9.958 3.580 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.653 -8.661 2.057 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.357 -7.160 2.625 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.174 -10.322 0.832 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.337 -6.297 1.629 1.00 0.00 H new ATOM 0 HE1 PHE A 91 6.896 -10.472 -0.915 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.055 -6.447 -0.118 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.336 -8.532 -1.396 1.00 0.00 H new ATOM 1398 N GLU A 92 7.368 -9.062 4.132 1.00 0.00 N ATOM 1399 CA GLU A 92 8.686 -8.602 4.584 1.00 0.00 C ATOM 1400 C GLU A 92 9.320 -7.616 3.591 1.00 0.00 C ATOM 1401 O GLU A 92 9.985 -8.022 2.638 1.00 0.00 O ATOM 1402 CB GLU A 92 9.636 -9.789 4.792 1.00 0.00 C ATOM 1403 CG GLU A 92 9.177 -10.777 5.855 1.00 0.00 C ATOM 1404 CD GLU A 92 10.201 -11.874 6.100 1.00 0.00 C ATOM 1405 OE1 GLU A 92 11.109 -11.674 6.933 1.00 0.00 O ATOM 1406 OE2 GLU A 92 10.115 -12.936 5.446 1.00 0.00 O ATOM 0 H GLU A 92 7.368 -9.988 3.703 1.00 0.00 H new ATOM 0 HA GLU A 92 8.531 -8.087 5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.751 -10.318 3.846 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.620 -9.409 5.066 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.988 -10.244 6.787 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.233 -11.226 5.548 1.00 0.00 H new ATOM 1413 N LEU A 93 9.106 -6.323 3.807 1.00 0.00 N ATOM 1414 CA LEU A 93 9.744 -5.290 2.984 1.00 0.00 C ATOM 1415 C LEU A 93 10.963 -4.703 3.714 1.00 0.00 C ATOM 1416 O LEU A 93 10.858 -4.274 4.864 1.00 0.00 O ATOM 1417 CB LEU A 93 8.740 -4.183 2.635 1.00 0.00 C ATOM 1418 CG LEU A 93 9.254 -3.128 1.641 1.00 0.00 C ATOM 1419 CD1 LEU A 93 9.647 -3.780 0.316 1.00 0.00 C ATOM 1420 CD2 LEU A 93 8.207 -2.037 1.418 1.00 0.00 C ATOM 0 H LEU A 93 8.498 -5.961 4.542 1.00 0.00 H new ATOM 0 HA LEU A 93 10.084 -5.748 2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.843 -4.644 2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.443 -3.679 3.555 1.00 0.00 H new ATOM 0 HG LEU A 93 10.142 -2.663 2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.008 -3.016 -0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.435 -4.512 0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.779 -4.277 -0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 93 8.592 -1.302 0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 93 7.297 -2.483 1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.984 -1.547 2.366 1.00 0.00 H new ATOM 1432 N ALA A 94 12.121 -4.711 3.046 1.00 0.00 N ATOM 1433 CA ALA A 94 13.392 -4.277 3.656 1.00 0.00 C ATOM 1434 C ALA A 94 13.814 -5.199 4.812 1.00 0.00 C ATOM 1435 O ALA A 94 14.727 -4.878 5.576 1.00 0.00 O ATOM 1436 CB ALA A 94 13.301 -2.829 4.142 1.00 0.00 C ATOM 0 H ALA A 94 12.209 -5.015 2.076 1.00 0.00 H new ATOM 0 HA ALA A 94 14.156 -4.339 2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 94 14.251 -2.534 4.587 1.00 0.00 H new ATOM 0 HB2 ALA A 94 13.077 -2.176 3.299 1.00 0.00 H new ATOM 0 HB3 ALA A 94 12.509 -2.744 4.887 1.00 0.00 H new ATOM 1442 N GLY A 95 13.149 -6.348 4.927 1.00 0.00 N ATOM 1443 CA GLY A 95 13.444 -7.298 5.999 1.00 0.00 C ATOM 1444 C GLY A 95 12.492 -7.186 7.188 1.00 0.00 C ATOM 1445 O GLY A 95 12.644 -7.898 8.182 1.00 0.00 O ATOM 0 H GLY A 95 12.405 -6.643 4.294 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.397 -8.311 5.600 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.465 -7.139 6.345 1.00 0.00 H new ATOM 1449 N ARG A 96 11.501 -6.301 7.087 1.00 0.00 N ATOM 1450 CA ARG A 96 10.536 -6.081 8.173 1.00 0.00 C ATOM 1451 C ARG A 96 9.087 -6.121 7.643 1.00 0.00 C ATOM 1452 O ARG A 96 8.849 -5.850 6.465 1.00 0.00 O ATOM 1453 CB ARG A 96 10.834 -4.740 8.866 1.00 0.00 C ATOM 1454 CG ARG A 96 10.644 -3.513 7.979 1.00 0.00 C ATOM 1455 CD ARG A 96 11.250 -2.261 8.607 1.00 0.00 C ATOM 1456 NE ARG A 96 12.711 -2.342 8.687 1.00 0.00 N ATOM 1457 CZ ARG A 96 13.501 -1.319 8.887 1.00 0.00 C ATOM 1458 NH1 ARG A 96 13.021 -0.142 9.138 1.00 0.00 N ATOM 1459 NH2 ARG A 96 14.779 -1.493 8.876 1.00 0.00 N ATOM 0 H ARG A 96 11.342 -5.721 6.263 1.00 0.00 H new ATOM 0 HA ARG A 96 10.638 -6.884 8.903 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.188 -4.645 9.739 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.861 -4.754 9.230 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.105 -3.692 7.007 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.580 -3.353 7.803 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.966 -1.387 8.020 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.839 -2.121 9.607 1.00 0.00 H new ATOM 0 HE ARG A 96 13.142 -3.260 8.579 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.012 -0.002 9.182 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.652 0.644 9.291 1.00 0.00 H new ATOM 0 HH21 ARG A 96 15.166 -2.423 8.712 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.403 -0.701 9.031 1.00 0.00 H new ATOM 1473 N PRO A 97 8.102 -6.466 8.501 1.00 0.00 N ATOM 1474 CA PRO A 97 6.697 -6.659 8.076 1.00 0.00 C ATOM 1475 C PRO A 97 6.004 -5.378 7.561 1.00 0.00 C ATOM 1476 O PRO A 97 6.337 -4.259 7.956 1.00 0.00 O ATOM 1477 CB PRO A 97 6.007 -7.174 9.351 1.00 0.00 C ATOM 1478 CG PRO A 97 6.859 -6.675 10.470 1.00 0.00 C ATOM 1479 CD PRO A 97 8.271 -6.701 9.952 1.00 0.00 C ATOM 0 HA PRO A 97 6.641 -7.338 7.225 1.00 0.00 H new ATOM 0 HB2 PRO A 97 4.988 -6.796 9.430 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.944 -8.262 9.356 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.568 -5.666 10.763 1.00 0.00 H new ATOM 0 HG3 PRO A 97 6.754 -7.306 11.353 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.885 -5.929 10.416 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.756 -7.657 10.152 1.00 0.00 H new ATOM 1487 N MET A 98 5.034 -5.570 6.664 1.00 0.00 N ATOM 1488 CA MET A 98 4.229 -4.471 6.116 1.00 0.00 C ATOM 1489 C MET A 98 2.780 -4.523 6.644 1.00 0.00 C ATOM 1490 O MET A 98 2.069 -5.508 6.433 1.00 0.00 O ATOM 1491 CB MET A 98 4.226 -4.550 4.580 1.00 0.00 C ATOM 1492 CG MET A 98 3.431 -3.442 3.902 1.00 0.00 C ATOM 1493 SD MET A 98 3.293 -3.669 2.118 1.00 0.00 S ATOM 1494 CE MET A 98 5.016 -3.672 1.632 1.00 0.00 C ATOM 0 H MET A 98 4.783 -6.488 6.297 1.00 0.00 H new ATOM 0 HA MET A 98 4.673 -3.529 6.436 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.255 -4.515 4.223 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.817 -5.514 4.277 1.00 0.00 H new ATOM 0 HG2 MET A 98 2.432 -3.400 4.336 1.00 0.00 H new ATOM 0 HG3 MET A 98 3.907 -2.483 4.106 1.00 0.00 H new ATOM 0 HE1 MET A 98 5.089 -3.571 0.549 1.00 0.00 H new ATOM 0 HE2 MET A 98 5.530 -2.838 2.109 1.00 0.00 H new ATOM 0 HE3 MET A 98 5.480 -4.609 1.941 1.00 0.00 H new ATOM 1504 N LYS A 99 2.341 -3.461 7.324 1.00 0.00 N ATOM 1505 CA LYS A 99 0.965 -3.387 7.842 1.00 0.00 C ATOM 1506 C LYS A 99 0.004 -2.768 6.814 1.00 0.00 C ATOM 1507 O LYS A 99 -0.058 -1.550 6.661 1.00 0.00 O ATOM 1508 CB LYS A 99 0.920 -2.572 9.147 1.00 0.00 C ATOM 1509 CG LYS A 99 1.586 -3.265 10.332 1.00 0.00 C ATOM 1510 CD LYS A 99 1.476 -2.435 11.609 1.00 0.00 C ATOM 1511 CE LYS A 99 2.052 -3.171 12.818 1.00 0.00 C ATOM 1512 NZ LYS A 99 3.481 -3.536 12.622 1.00 0.00 N ATOM 0 H LYS A 99 2.913 -2.642 7.530 1.00 0.00 H new ATOM 0 HA LYS A 99 0.640 -4.408 8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.406 -1.611 8.981 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.120 -2.364 9.398 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.123 -4.239 10.491 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.637 -3.445 10.105 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.003 -1.490 11.474 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.430 -2.193 11.796 1.00 0.00 H new ATOM 0 HE2 LYS A 99 1.957 -2.543 13.704 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.470 -4.074 13.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.874 -3.894 13.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.554 -4.273 11.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.016 -2.696 12.321 1.00 0.00 H new ATOM 1526 N VAL A 100 -0.733 -3.617 6.103 1.00 0.00 N ATOM 1527 CA VAL A 100 -1.740 -3.152 5.142 1.00 0.00 C ATOM 1528 C VAL A 100 -3.165 -3.421 5.654 1.00 0.00 C ATOM 1529 O VAL A 100 -3.557 -4.574 5.846 1.00 0.00 O ATOM 1530 CB VAL A 100 -1.568 -3.833 3.761 1.00 0.00 C ATOM 1531 CG1 VAL A 100 -2.512 -3.211 2.727 1.00 0.00 C ATOM 1532 CG2 VAL A 100 -0.115 -3.762 3.295 1.00 0.00 C ATOM 0 H VAL A 100 -0.655 -4.632 6.171 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.591 -2.078 5.031 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.832 -4.885 3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.374 -3.705 1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.544 -3.337 3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.291 -2.149 2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.020 -4.247 2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.190 -2.719 3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.524 -4.270 4.018 1.00 0.00 H new ATOM 1542 N GLY A 101 -3.929 -2.353 5.882 1.00 0.00 N ATOM 1543 CA GLY A 101 -5.313 -2.489 6.337 1.00 0.00 C ATOM 1544 C GLY A 101 -6.251 -1.480 5.678 1.00 0.00 C ATOM 1545 O GLY A 101 -5.894 -0.317 5.506 1.00 0.00 O ATOM 0 H GLY A 101 -3.616 -1.390 5.760 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.664 -3.499 6.124 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.350 -2.361 7.419 1.00 0.00 H new ATOM 1549 N HIS A 102 -7.458 -1.910 5.320 1.00 0.00 N ATOM 1550 CA HIS A 102 -8.411 -1.029 4.625 1.00 0.00 C ATOM 1551 C HIS A 102 -9.062 -0.022 5.594 1.00 0.00 C ATOM 1552 O HIS A 102 -10.220 -0.175 5.979 1.00 0.00 O ATOM 1553 CB HIS A 102 -9.487 -1.857 3.895 1.00 0.00 C ATOM 1554 CG HIS A 102 -10.301 -2.756 4.789 1.00 0.00 C ATOM 1555 ND1 HIS A 102 -11.449 -2.342 5.435 1.00 0.00 N ATOM 1556 CD2 HIS A 102 -10.133 -4.054 5.136 1.00 0.00 C ATOM 1557 CE1 HIS A 102 -11.947 -3.339 6.135 1.00 0.00 C ATOM 1558 NE2 HIS A 102 -11.171 -4.388 5.969 1.00 0.00 N ATOM 0 H HIS A 102 -7.804 -2.854 5.495 1.00 0.00 H new ATOM 0 HA HIS A 102 -7.852 -0.459 3.883 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -10.161 -1.175 3.376 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -9.002 -2.467 3.133 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -11.850 -1.406 5.378 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -9.332 -4.705 4.817 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -12.840 -3.302 6.742 1.00 0.00 H new