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 Set 1.1: A 68 LYS NZ :NH3+ -137:sc= 1.07 (180deg=-0.115) USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= 1.04 USER MOD Single : A 27 MET CE :methyl 138:sc= -0.0152 (180deg=-1.02) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -8:sc= -1.44 USER MOD Single : A 35 HIS : no HE2:sc= -1.57 K(o=-1.6,f=-6!) USER MOD Single : A 37 ASN : amide:sc= 0.0304 X(o=0.03,f=-0.18) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 154:sc= 0 (180deg=-1.05) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0278 X(o=-0.028,f=-0.11) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -35:sc= 0.524 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -69:sc= -4.39! USER MOD Single : A 82 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0351) USER MOD Single : A 83 LYS NZ :NH3+ 165:sc= -0.0528 (180deg=-0.335) USER MOD Single : A 87 GLN : amide:sc= -0.545 K(o=-0.54,f=-4.3!) USER MOD Single : A 89 ASN : amide:sc= 1.1 K(o=1.1,f=-0.012) USER MOD Single : A 98 MET CE :methyl 142:sc= -1.37 (180deg=-4.17!) USER MOD Single : A 99 LYS NZ :NH3+ -170:sc= -0.0149 (180deg=-0.152) USER MOD Single : A 102 HIS : no HD1:sc= -0.026 X(o=-0.026,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 359 N PRO A 26 -13.718 3.196 -5.858 1.00 0.00 N ATOM 360 CA PRO A 26 -12.462 3.710 -5.281 1.00 0.00 C ATOM 361 C PRO A 26 -12.208 3.204 -3.847 1.00 0.00 C ATOM 362 O PRO A 26 -12.790 3.701 -2.876 1.00 0.00 O ATOM 363 CB PRO A 26 -12.650 5.237 -5.307 1.00 0.00 C ATOM 364 CG PRO A 26 -14.127 5.438 -5.332 1.00 0.00 C ATOM 365 CD PRO A 26 -14.687 4.278 -6.117 1.00 0.00 C ATOM 0 HA PRO A 26 -11.592 3.370 -5.842 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.202 5.706 -4.431 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.176 5.679 -6.183 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -14.536 5.460 -4.322 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -14.384 6.388 -5.801 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.689 4.010 -5.781 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.759 4.508 -7.180 1.00 0.00 H new ATOM 373 N MET A 27 -11.338 2.205 -3.728 1.00 0.00 N ATOM 374 CA MET A 27 -11.009 1.592 -2.437 1.00 0.00 C ATOM 375 C MET A 27 -9.677 2.152 -1.894 1.00 0.00 C ATOM 376 O MET A 27 -8.745 2.399 -2.656 1.00 0.00 O ATOM 377 CB MET A 27 -10.928 0.067 -2.615 1.00 0.00 C ATOM 378 CG MET A 27 -11.163 -0.734 -1.342 1.00 0.00 C ATOM 379 SD MET A 27 -9.965 -0.378 -0.047 1.00 0.00 S ATOM 380 CE MET A 27 -10.513 -1.505 1.231 1.00 0.00 C ATOM 0 H MET A 27 -10.841 1.796 -4.519 1.00 0.00 H new ATOM 0 HA MET A 27 -11.787 1.830 -1.712 1.00 0.00 H new ATOM 0 HB2 MET A 27 -11.662 -0.238 -3.361 1.00 0.00 H new ATOM 0 HB3 MET A 27 -9.945 -0.187 -3.012 1.00 0.00 H new ATOM 0 HG2 MET A 27 -12.165 -0.524 -0.968 1.00 0.00 H new ATOM 0 HG3 MET A 27 -11.127 -1.798 -1.578 1.00 0.00 H new ATOM 0 HE1 MET A 27 -9.647 -1.976 1.696 1.00 0.00 H new ATOM 0 HE2 MET A 27 -11.075 -0.954 1.985 1.00 0.00 H new ATOM 0 HE3 MET A 27 -11.151 -2.272 0.791 1.00 0.00 H new ATOM 390 N ARG A 28 -9.590 2.346 -0.577 1.00 0.00 N ATOM 391 CA ARG A 28 -8.410 2.975 0.038 1.00 0.00 C ATOM 392 C ARG A 28 -7.701 2.030 1.027 1.00 0.00 C ATOM 393 O ARG A 28 -8.263 1.651 2.057 1.00 0.00 O ATOM 394 CB ARG A 28 -8.823 4.265 0.762 1.00 0.00 C ATOM 395 CG ARG A 28 -7.652 5.068 1.324 1.00 0.00 C ATOM 396 CD ARG A 28 -8.117 6.166 2.282 1.00 0.00 C ATOM 397 NE ARG A 28 -8.999 7.146 1.644 1.00 0.00 N ATOM 398 CZ ARG A 28 -10.300 7.158 1.769 1.00 0.00 C ATOM 399 NH1 ARG A 28 -10.910 6.223 2.427 1.00 0.00 N ATOM 400 NH2 ARG A 28 -10.989 8.108 1.228 1.00 0.00 N ATOM 0 H ARG A 28 -10.318 2.079 0.086 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.707 3.206 -0.763 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.382 4.894 0.069 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.499 4.010 1.578 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.970 4.397 1.846 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.093 5.516 0.503 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.638 5.710 3.123 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.245 6.680 2.688 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.570 7.867 1.064 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.374 5.467 2.854 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.926 6.243 2.518 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.517 8.846 0.705 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -12.004 8.120 1.324 1.00 0.00 H new ATOM 414 N LEU A 29 -6.457 1.675 0.715 1.00 0.00 N ATOM 415 CA LEU A 29 -5.650 0.812 1.586 1.00 0.00 C ATOM 416 C LEU A 29 -4.668 1.631 2.440 1.00 0.00 C ATOM 417 O LEU A 29 -3.916 2.458 1.922 1.00 0.00 O ATOM 418 CB LEU A 29 -4.860 -0.207 0.751 1.00 0.00 C ATOM 419 CG LEU A 29 -5.696 -1.119 -0.162 1.00 0.00 C ATOM 420 CD1 LEU A 29 -4.798 -2.125 -0.877 1.00 0.00 C ATOM 421 CD2 LEU A 29 -6.783 -1.835 0.635 1.00 0.00 C ATOM 0 H LEU A 29 -5.981 1.971 -0.137 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.339 0.290 2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.144 0.335 0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.283 -0.835 1.430 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.183 -0.498 -0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.405 -2.763 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.065 -1.592 -1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.281 -2.739 -0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.362 -2.474 -0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.322 -2.444 1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.442 -1.098 1.094 1.00 0.00 H new ATOM 433 N TYR A 30 -4.685 1.397 3.746 1.00 0.00 N ATOM 434 CA TYR A 30 -3.739 2.033 4.667 1.00 0.00 C ATOM 435 C TYR A 30 -2.481 1.162 4.861 1.00 0.00 C ATOM 436 O TYR A 30 -2.550 0.053 5.393 1.00 0.00 O ATOM 437 CB TYR A 30 -4.429 2.310 6.016 1.00 0.00 C ATOM 438 CG TYR A 30 -3.468 2.577 7.161 1.00 0.00 C ATOM 439 CD1 TYR A 30 -2.657 3.707 7.175 1.00 0.00 C ATOM 440 CD2 TYR A 30 -3.365 1.683 8.223 1.00 0.00 C ATOM 441 CE1 TYR A 30 -1.772 3.933 8.208 1.00 0.00 C ATOM 442 CE2 TYR A 30 -2.485 1.907 9.261 1.00 0.00 C ATOM 443 CZ TYR A 30 -1.689 3.031 9.247 1.00 0.00 C ATOM 444 OH TYR A 30 -0.800 3.249 10.272 1.00 0.00 O ATOM 0 H TYR A 30 -5.347 0.767 4.198 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.417 2.981 4.235 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.091 3.169 5.904 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.056 1.456 6.273 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -2.721 4.418 6.365 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.985 0.799 8.234 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.146 4.813 8.203 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.420 1.206 10.080 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.868 2.521 10.924 1.00 0.00 H new ATOM 454 N VAL A 31 -1.336 1.674 4.415 1.00 0.00 N ATOM 455 CA VAL A 31 -0.055 0.967 4.543 1.00 0.00 C ATOM 456 C VAL A 31 0.837 1.618 5.617 1.00 0.00 C ATOM 457 O VAL A 31 1.378 2.709 5.414 1.00 0.00 O ATOM 458 CB VAL A 31 0.710 0.938 3.194 1.00 0.00 C ATOM 459 CG1 VAL A 31 2.027 0.172 3.332 1.00 0.00 C ATOM 460 CG2 VAL A 31 -0.164 0.336 2.092 1.00 0.00 C ATOM 0 H VAL A 31 -1.265 2.583 3.958 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.286 -0.055 4.843 1.00 0.00 H new ATOM 0 HB VAL A 31 0.949 1.964 2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.546 0.165 2.373 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.654 0.657 4.080 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.821 -0.853 3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.390 0.324 1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.440 -0.683 2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.065 0.937 1.973 1.00 0.00 H new ATOM 470 N GLY A 32 0.991 0.946 6.758 1.00 0.00 N ATOM 471 CA GLY A 32 1.801 1.486 7.849 1.00 0.00 C ATOM 472 C GLY A 32 3.088 0.703 8.101 1.00 0.00 C ATOM 473 O GLY A 32 3.103 -0.235 8.902 1.00 0.00 O ATOM 0 H GLY A 32 0.570 0.037 6.950 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.054 2.522 7.624 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.206 1.494 8.762 1.00 0.00 H new ATOM 477 N SER A 33 4.166 1.092 7.416 1.00 0.00 N ATOM 478 CA SER A 33 5.497 0.478 7.621 1.00 0.00 C ATOM 479 C SER A 33 6.592 1.186 6.798 1.00 0.00 C ATOM 480 O SER A 33 7.688 0.652 6.609 1.00 0.00 O ATOM 481 CB SER A 33 5.473 -1.011 7.243 1.00 0.00 C ATOM 482 OG SER A 33 5.119 -1.192 5.881 1.00 0.00 O ATOM 0 H SER A 33 4.152 1.830 6.712 1.00 0.00 H new ATOM 0 HA SER A 33 5.733 0.588 8.679 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.453 -1.451 7.428 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.762 -1.538 7.879 1.00 0.00 H new ATOM 0 HG SER A 33 4.838 -0.334 5.499 1.00 0.00 H new ATOM 488 N LEU A 34 6.314 2.407 6.343 1.00 0.00 N ATOM 489 CA LEU A 34 7.222 3.121 5.437 1.00 0.00 C ATOM 490 C LEU A 34 8.341 3.832 6.212 1.00 0.00 C ATOM 491 O LEU A 34 8.266 5.034 6.466 1.00 0.00 O ATOM 492 CB LEU A 34 6.436 4.143 4.599 1.00 0.00 C ATOM 493 CG LEU A 34 5.114 3.632 3.996 1.00 0.00 C ATOM 494 CD1 LEU A 34 4.480 4.697 3.107 1.00 0.00 C ATOM 495 CD2 LEU A 34 5.326 2.334 3.222 1.00 0.00 C ATOM 0 H LEU A 34 5.469 2.925 6.585 1.00 0.00 H new ATOM 0 HA LEU A 34 7.682 2.386 4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.219 5.009 5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.075 4.489 3.787 1.00 0.00 H new ATOM 0 HG LEU A 34 4.430 3.421 4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.547 4.316 2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.276 5.590 3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.163 4.948 2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.375 1.998 2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.034 2.505 2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.720 1.571 3.893 1.00 0.00 H new ATOM 507 N HIS A 35 9.383 3.095 6.589 1.00 0.00 N ATOM 508 CA HIS A 35 10.446 3.667 7.429 1.00 0.00 C ATOM 509 C HIS A 35 11.425 4.549 6.618 1.00 0.00 C ATOM 510 O HIS A 35 12.531 4.129 6.281 1.00 0.00 O ATOM 511 CB HIS A 35 11.181 2.564 8.222 1.00 0.00 C ATOM 512 CG HIS A 35 11.980 1.589 7.403 1.00 0.00 C ATOM 513 ND1 HIS A 35 13.341 1.702 7.218 1.00 0.00 N ATOM 514 CD2 HIS A 35 11.617 0.449 6.763 1.00 0.00 C ATOM 515 CE1 HIS A 35 13.779 0.686 6.506 1.00 0.00 C ATOM 516 NE2 HIS A 35 12.756 -0.089 6.219 1.00 0.00 N ATOM 0 H HIS A 35 9.519 2.117 6.334 1.00 0.00 H new ATOM 0 HA HIS A 35 9.967 4.328 8.151 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.850 3.042 8.937 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.444 2.006 8.799 1.00 0.00 H new ATOM 0 HD1 HIS A 35 13.921 2.459 7.579 1.00 0.00 H new ATOM 0 HD2 HIS A 35 10.619 0.042 6.695 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.803 0.517 6.208 1.00 0.00 H new ATOM 525 N PHE A 36 10.958 5.763 6.278 1.00 0.00 N ATOM 526 CA PHE A 36 11.743 6.811 5.573 1.00 0.00 C ATOM 527 C PHE A 36 12.681 6.296 4.456 1.00 0.00 C ATOM 528 O PHE A 36 13.675 6.947 4.128 1.00 0.00 O ATOM 529 CB PHE A 36 12.514 7.702 6.577 1.00 0.00 C ATOM 530 CG PHE A 36 13.315 6.961 7.622 1.00 0.00 C ATOM 531 CD1 PHE A 36 14.536 6.383 7.309 1.00 0.00 C ATOM 532 CD2 PHE A 36 12.843 6.854 8.924 1.00 0.00 C ATOM 533 CE1 PHE A 36 15.269 5.713 8.268 1.00 0.00 C ATOM 534 CE2 PHE A 36 13.573 6.184 9.886 1.00 0.00 C ATOM 535 CZ PHE A 36 14.787 5.612 9.558 1.00 0.00 C ATOM 0 H PHE A 36 10.004 6.057 6.487 1.00 0.00 H new ATOM 0 HA PHE A 36 10.995 7.410 5.054 1.00 0.00 H new ATOM 0 HB2 PHE A 36 13.190 8.349 6.017 1.00 0.00 H new ATOM 0 HB3 PHE A 36 11.799 8.350 7.084 1.00 0.00 H new ATOM 0 HD1 PHE A 36 14.919 6.458 6.302 1.00 0.00 H new ATOM 0 HD2 PHE A 36 11.895 7.300 9.187 1.00 0.00 H new ATOM 0 HE1 PHE A 36 16.219 5.268 8.009 1.00 0.00 H new ATOM 0 HE2 PHE A 36 13.195 6.107 10.895 1.00 0.00 H new ATOM 0 HZ PHE A 36 15.358 5.087 10.309 1.00 0.00 H new ATOM 545 N ASN A 37 12.353 5.155 3.851 1.00 0.00 N ATOM 546 CA ASN A 37 13.117 4.632 2.703 1.00 0.00 C ATOM 547 C ASN A 37 12.189 4.025 1.638 1.00 0.00 C ATOM 548 O ASN A 37 12.647 3.399 0.679 1.00 0.00 O ATOM 549 CB ASN A 37 14.139 3.579 3.158 1.00 0.00 C ATOM 550 CG ASN A 37 15.292 4.172 3.951 1.00 0.00 C ATOM 551 OD1 ASN A 37 16.311 4.562 3.391 1.00 0.00 O ATOM 552 ND2 ASN A 37 15.145 4.248 5.257 1.00 0.00 N ATOM 0 H ASN A 37 11.565 4.571 4.131 1.00 0.00 H new ATOM 0 HA ASN A 37 13.647 5.475 2.259 1.00 0.00 H new ATOM 0 HB2 ASN A 37 13.633 2.830 3.768 1.00 0.00 H new ATOM 0 HB3 ASN A 37 14.535 3.063 2.283 1.00 0.00 H new ATOM 0 HD21 ASN A 37 15.891 4.640 5.832 1.00 0.00 H new ATOM 0 HD22 ASN A 37 14.285 3.915 5.694 1.00 0.00 H new ATOM 559 N ILE A 38 10.880 4.220 1.807 1.00 0.00 N ATOM 560 CA ILE A 38 9.881 3.655 0.893 1.00 0.00 C ATOM 561 C ILE A 38 9.074 4.775 0.214 1.00 0.00 C ATOM 562 O ILE A 38 8.477 5.614 0.888 1.00 0.00 O ATOM 563 CB ILE A 38 8.906 2.690 1.629 1.00 0.00 C ATOM 564 CG1 ILE A 38 9.659 1.518 2.299 1.00 0.00 C ATOM 565 CG2 ILE A 38 7.853 2.150 0.669 1.00 0.00 C ATOM 566 CD1 ILE A 38 10.377 1.882 3.583 1.00 0.00 C ATOM 0 H ILE A 38 10.484 4.767 2.571 1.00 0.00 H new ATOM 0 HA ILE A 38 10.423 3.086 0.138 1.00 0.00 H new ATOM 0 HB ILE A 38 8.412 3.266 2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.948 0.719 2.510 1.00 0.00 H new ATOM 0 HG13 ILE A 38 10.386 1.119 1.592 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.183 1.478 1.205 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.280 2.979 0.254 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.342 1.606 -0.139 1.00 0.00 H new ATOM 0 HD11 ILE A 38 10.877 1.000 3.983 1.00 0.00 H new ATOM 0 HD12 ILE A 38 11.116 2.657 3.380 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.655 2.251 4.311 1.00 0.00 H new ATOM 578 N THR A 39 9.067 4.782 -1.119 1.00 0.00 N ATOM 579 CA THR A 39 8.411 5.849 -1.898 1.00 0.00 C ATOM 580 C THR A 39 7.092 5.383 -2.534 1.00 0.00 C ATOM 581 O THR A 39 6.729 4.205 -2.455 1.00 0.00 O ATOM 582 CB THR A 39 9.334 6.343 -3.032 1.00 0.00 C ATOM 583 OG1 THR A 39 9.544 5.283 -3.979 1.00 0.00 O ATOM 584 CG2 THR A 39 10.678 6.818 -2.486 1.00 0.00 C ATOM 0 H THR A 39 9.508 4.061 -1.690 1.00 0.00 H new ATOM 0 HA THR A 39 8.201 6.653 -1.192 1.00 0.00 H new ATOM 0 HB THR A 39 8.849 7.187 -3.522 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.129 5.599 -4.699 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.305 7.160 -3.310 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.517 7.639 -1.788 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.173 5.995 -1.970 1.00 0.00 H new ATOM 592 N GLU A 40 6.386 6.321 -3.183 1.00 0.00 N ATOM 593 CA GLU A 40 5.145 6.005 -3.908 1.00 0.00 C ATOM 594 C GLU A 40 5.356 4.888 -4.932 1.00 0.00 C ATOM 595 O GLU A 40 4.600 3.924 -4.977 1.00 0.00 O ATOM 596 CB GLU A 40 4.603 7.243 -4.644 1.00 0.00 C ATOM 597 CG GLU A 40 3.882 8.249 -3.755 1.00 0.00 C ATOM 598 CD GLU A 40 3.299 9.415 -4.544 1.00 0.00 C ATOM 599 OE1 GLU A 40 2.525 9.167 -5.496 1.00 0.00 O ATOM 600 OE2 GLU A 40 3.606 10.580 -4.212 1.00 0.00 O ATOM 0 H GLU A 40 6.653 7.305 -3.221 1.00 0.00 H new ATOM 0 HA GLU A 40 4.426 5.674 -3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.433 7.746 -5.139 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.918 6.913 -5.425 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.081 7.743 -3.216 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.577 8.632 -3.008 1.00 0.00 H new ATOM 607 N ASP A 41 6.396 5.023 -5.749 1.00 0.00 N ATOM 608 CA ASP A 41 6.640 4.091 -6.852 1.00 0.00 C ATOM 609 C ASP A 41 7.149 2.728 -6.365 1.00 0.00 C ATOM 610 O ASP A 41 7.057 1.733 -7.090 1.00 0.00 O ATOM 611 CB ASP A 41 7.608 4.718 -7.855 1.00 0.00 C ATOM 612 CG ASP A 41 7.006 5.959 -8.485 1.00 0.00 C ATOM 613 OD1 ASP A 41 7.128 7.051 -7.895 1.00 0.00 O ATOM 614 OD2 ASP A 41 6.374 5.842 -9.555 1.00 0.00 O ATOM 0 H ASP A 41 7.087 5.770 -5.670 1.00 0.00 H new ATOM 0 HA ASP A 41 5.687 3.902 -7.346 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.541 4.976 -7.354 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.853 3.993 -8.632 1.00 0.00 H new ATOM 619 N MET A 42 7.667 2.669 -5.139 1.00 0.00 N ATOM 620 CA MET A 42 8.036 1.386 -4.537 1.00 0.00 C ATOM 621 C MET A 42 6.764 0.595 -4.202 1.00 0.00 C ATOM 622 O MET A 42 6.579 -0.540 -4.648 1.00 0.00 O ATOM 623 CB MET A 42 8.888 1.599 -3.276 1.00 0.00 C ATOM 624 CG MET A 42 9.300 0.303 -2.591 1.00 0.00 C ATOM 625 SD MET A 42 10.181 -0.809 -3.705 1.00 0.00 S ATOM 626 CE MET A 42 10.480 -2.209 -2.626 1.00 0.00 C ATOM 0 H MET A 42 7.840 3.483 -4.548 1.00 0.00 H new ATOM 0 HA MET A 42 8.634 0.819 -5.250 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.784 2.159 -3.544 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.328 2.212 -2.569 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.934 0.533 -1.734 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.413 -0.200 -2.206 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.579 -3.115 -3.224 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.398 -2.044 -2.063 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.645 -2.320 -1.934 1.00 0.00 H new ATOM 636 N LEU A 43 5.877 1.226 -3.435 1.00 0.00 N ATOM 637 CA LEU A 43 4.570 0.647 -3.112 1.00 0.00 C ATOM 638 C LEU A 43 3.766 0.372 -4.389 1.00 0.00 C ATOM 639 O LEU A 43 3.352 -0.752 -4.646 1.00 0.00 O ATOM 640 CB LEU A 43 3.796 1.614 -2.209 1.00 0.00 C ATOM 641 CG LEU A 43 4.454 1.906 -0.856 1.00 0.00 C ATOM 642 CD1 LEU A 43 3.778 3.091 -0.173 1.00 0.00 C ATOM 643 CD2 LEU A 43 4.413 0.664 0.036 1.00 0.00 C ATOM 0 H LEU A 43 6.039 2.145 -3.022 1.00 0.00 H new ATOM 0 HA LEU A 43 4.723 -0.299 -2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.662 2.556 -2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.802 1.204 -2.031 1.00 0.00 H new ATOM 0 HG LEU A 43 5.498 2.168 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.260 3.282 0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.866 3.974 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.724 2.865 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.884 0.888 0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.377 0.369 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.949 -0.151 -0.450 1.00 0.00 H new ATOM 655 N ARG A 44 3.578 1.411 -5.196 1.00 0.00 N ATOM 656 CA ARG A 44 2.872 1.303 -6.479 1.00 0.00 C ATOM 657 C ARG A 44 3.482 0.207 -7.367 1.00 0.00 C ATOM 658 O ARG A 44 2.768 -0.493 -8.083 1.00 0.00 O ATOM 659 CB ARG A 44 2.897 2.665 -7.195 1.00 0.00 C ATOM 660 CG ARG A 44 2.178 2.697 -8.540 1.00 0.00 C ATOM 661 CD ARG A 44 1.819 4.126 -8.947 1.00 0.00 C ATOM 662 NE ARG A 44 2.979 5.023 -8.961 1.00 0.00 N ATOM 663 CZ ARG A 44 2.902 6.318 -8.770 1.00 0.00 C ATOM 664 NH1 ARG A 44 1.763 6.882 -8.527 1.00 0.00 N ATOM 665 NH2 ARG A 44 3.966 7.052 -8.818 1.00 0.00 N ATOM 0 H ARG A 44 3.908 2.353 -4.984 1.00 0.00 H new ATOM 0 HA ARG A 44 1.838 1.019 -6.283 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.446 3.411 -6.541 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.935 2.960 -7.347 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.812 2.248 -9.304 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.271 2.094 -8.484 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.364 4.113 -9.937 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.071 4.518 -8.258 1.00 0.00 H new ATOM 0 HE ARG A 44 3.899 4.616 -9.129 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.914 6.318 -8.483 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.714 7.890 -8.380 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.873 6.624 -9.005 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.898 8.059 -8.668 1.00 0.00 H new ATOM 679 N GLY A 45 4.804 0.050 -7.292 1.00 0.00 N ATOM 680 CA GLY A 45 5.483 -0.995 -8.048 1.00 0.00 C ATOM 681 C GLY A 45 5.078 -2.403 -7.619 1.00 0.00 C ATOM 682 O GLY A 45 5.002 -3.309 -8.446 1.00 0.00 O ATOM 0 H GLY A 45 5.419 0.629 -6.720 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.265 -0.868 -9.108 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.560 -0.881 -7.928 1.00 0.00 H new ATOM 686 N ILE A 46 4.834 -2.587 -6.323 1.00 0.00 N ATOM 687 CA ILE A 46 4.397 -3.884 -5.785 1.00 0.00 C ATOM 688 C ILE A 46 2.863 -4.056 -5.864 1.00 0.00 C ATOM 689 O ILE A 46 2.361 -5.140 -6.162 1.00 0.00 O ATOM 690 CB ILE A 46 4.847 -4.049 -4.310 1.00 0.00 C ATOM 691 CG1 ILE A 46 6.361 -3.802 -4.177 1.00 0.00 C ATOM 692 CG2 ILE A 46 4.482 -5.438 -3.788 1.00 0.00 C ATOM 693 CD1 ILE A 46 6.883 -3.904 -2.756 1.00 0.00 C ATOM 0 H ILE A 46 4.931 -1.855 -5.620 1.00 0.00 H new ATOM 0 HA ILE A 46 4.865 -4.651 -6.402 1.00 0.00 H new ATOM 0 HB ILE A 46 4.323 -3.308 -3.706 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.892 -4.522 -4.800 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.592 -2.811 -4.567 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.806 -5.534 -2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.402 -5.576 -3.845 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.977 -6.196 -4.395 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.957 -3.717 -2.749 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.382 -3.166 -2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.686 -4.903 -2.367 1.00 0.00 H new ATOM 705 N PHE A 47 2.132 -2.972 -5.607 1.00 0.00 N ATOM 706 CA PHE A 47 0.663 -3.008 -5.502 1.00 0.00 C ATOM 707 C PHE A 47 -0.055 -3.021 -6.870 1.00 0.00 C ATOM 708 O PHE A 47 -0.999 -3.787 -7.068 1.00 0.00 O ATOM 709 CB PHE A 47 0.168 -1.805 -4.681 1.00 0.00 C ATOM 710 CG PHE A 47 0.284 -1.977 -3.182 1.00 0.00 C ATOM 711 CD1 PHE A 47 1.506 -1.834 -2.537 1.00 0.00 C ATOM 712 CD2 PHE A 47 -0.838 -2.274 -2.416 1.00 0.00 C ATOM 713 CE1 PHE A 47 1.606 -1.980 -1.166 1.00 0.00 C ATOM 714 CE2 PHE A 47 -0.741 -2.423 -1.046 1.00 0.00 C ATOM 715 CZ PHE A 47 0.481 -2.276 -0.420 1.00 0.00 C ATOM 0 H PHE A 47 2.534 -2.045 -5.465 1.00 0.00 H new ATOM 0 HA PHE A 47 0.415 -3.946 -5.005 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.734 -0.922 -4.977 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.875 -1.614 -4.932 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.390 -1.606 -3.114 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.797 -2.390 -2.898 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.562 -1.863 -0.678 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.621 -2.655 -0.464 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.557 -2.392 0.651 1.00 0.00 H new ATOM 725 N GLU A 48 0.379 -2.177 -7.811 1.00 0.00 N ATOM 726 CA GLU A 48 -0.348 -2.015 -9.083 1.00 0.00 C ATOM 727 C GLU A 48 -0.361 -3.293 -9.957 1.00 0.00 C ATOM 728 O GLU A 48 -1.325 -3.516 -10.688 1.00 0.00 O ATOM 729 CB GLU A 48 0.180 -0.816 -9.883 1.00 0.00 C ATOM 730 CG GLU A 48 -0.698 -0.459 -11.083 1.00 0.00 C ATOM 731 CD GLU A 48 -0.431 0.935 -11.626 1.00 0.00 C ATOM 732 OE1 GLU A 48 0.515 1.102 -12.424 1.00 0.00 O ATOM 733 OE2 GLU A 48 -1.179 1.868 -11.264 1.00 0.00 O ATOM 0 H GLU A 48 1.217 -1.601 -7.723 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.384 -1.822 -8.805 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.252 0.049 -9.224 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.189 -1.036 -10.232 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.533 -1.189 -11.876 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.746 -0.535 -10.794 1.00 0.00 H new ATOM 740 N PRO A 49 0.694 -4.146 -9.932 1.00 0.00 N ATOM 741 CA PRO A 49 0.642 -5.481 -10.569 1.00 0.00 C ATOM 742 C PRO A 49 -0.627 -6.286 -10.216 1.00 0.00 C ATOM 743 O PRO A 49 -1.025 -7.189 -10.954 1.00 0.00 O ATOM 744 CB PRO A 49 1.891 -6.170 -10.013 1.00 0.00 C ATOM 745 CG PRO A 49 2.858 -5.057 -9.807 1.00 0.00 C ATOM 746 CD PRO A 49 2.034 -3.870 -9.370 1.00 0.00 C ATOM 0 HA PRO A 49 0.611 -5.407 -11.656 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.677 -6.690 -9.079 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.280 -6.913 -10.710 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.599 -5.318 -9.051 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.403 -4.838 -10.725 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.002 -3.783 -8.284 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.444 -2.935 -9.753 1.00 0.00 H new ATOM 754 N PHE A 50 -1.264 -5.957 -9.086 1.00 0.00 N ATOM 755 CA PHE A 50 -2.527 -6.602 -8.692 1.00 0.00 C ATOM 756 C PHE A 50 -3.720 -6.049 -9.488 1.00 0.00 C ATOM 757 O PHE A 50 -4.753 -6.709 -9.606 1.00 0.00 O ATOM 758 CB PHE A 50 -2.776 -6.435 -7.189 1.00 0.00 C ATOM 759 CG PHE A 50 -1.843 -7.248 -6.327 1.00 0.00 C ATOM 760 CD1 PHE A 50 -2.134 -8.573 -6.035 1.00 0.00 C ATOM 761 CD2 PHE A 50 -0.683 -6.692 -5.804 1.00 0.00 C ATOM 762 CE1 PHE A 50 -1.289 -9.323 -5.242 1.00 0.00 C ATOM 763 CE2 PHE A 50 0.165 -7.441 -5.011 1.00 0.00 C ATOM 764 CZ PHE A 50 -0.139 -8.757 -4.729 1.00 0.00 C ATOM 0 H PHE A 50 -0.929 -5.252 -8.430 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.433 -7.664 -8.920 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.673 -5.382 -6.927 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.804 -6.720 -6.966 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.032 -9.023 -6.433 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.441 -5.662 -6.020 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.528 -10.353 -5.023 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.065 -6.997 -4.612 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.522 -9.343 -4.108 1.00 0.00 H new ATOM 774 N GLY A 51 -3.587 -4.830 -10.012 1.00 0.00 N ATOM 775 CA GLY A 51 -4.630 -4.263 -10.861 1.00 0.00 C ATOM 776 C GLY A 51 -4.282 -2.881 -11.411 1.00 0.00 C ATOM 777 O GLY A 51 -3.532 -2.759 -12.381 1.00 0.00 O ATOM 0 H GLY A 51 -2.779 -4.225 -9.865 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.818 -4.940 -11.694 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.556 -4.196 -10.290 1.00 0.00 H new ATOM 781 N ARG A 52 -4.823 -1.837 -10.785 1.00 0.00 N ATOM 782 CA ARG A 52 -4.624 -0.458 -11.252 1.00 0.00 C ATOM 783 C ARG A 52 -4.876 0.561 -10.125 1.00 0.00 C ATOM 784 O ARG A 52 -5.907 0.518 -9.444 1.00 0.00 O ATOM 785 CB ARG A 52 -5.532 -0.196 -12.470 1.00 0.00 C ATOM 786 CG ARG A 52 -5.716 1.274 -12.858 1.00 0.00 C ATOM 787 CD ARG A 52 -6.986 1.854 -12.244 1.00 0.00 C ATOM 788 NE ARG A 52 -7.280 3.209 -12.706 1.00 0.00 N ATOM 789 CZ ARG A 52 -8.130 3.498 -13.656 1.00 0.00 C ATOM 790 NH1 ARG A 52 -8.676 2.561 -14.368 1.00 0.00 N ATOM 791 NH2 ARG A 52 -8.415 4.734 -13.903 1.00 0.00 N ATOM 0 H ARG A 52 -5.405 -1.916 -9.951 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.585 -0.333 -11.556 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.122 -0.730 -13.327 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.513 -0.625 -12.267 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.853 1.851 -12.526 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.761 1.363 -13.943 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.828 1.204 -12.484 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.887 1.860 -11.158 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.789 3.982 -12.257 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.444 1.584 -14.190 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.338 2.801 -15.106 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.977 5.477 -13.358 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.077 4.967 -14.643 1.00 0.00 H new ATOM 805 N ILE A 53 -3.932 1.482 -9.946 1.00 0.00 N ATOM 806 CA ILE A 53 -3.975 2.453 -8.843 1.00 0.00 C ATOM 807 C ILE A 53 -4.231 3.880 -9.352 1.00 0.00 C ATOM 808 O ILE A 53 -3.713 4.282 -10.391 1.00 0.00 O ATOM 809 CB ILE A 53 -2.648 2.418 -8.042 1.00 0.00 C ATOM 810 CG1 ILE A 53 -2.387 0.989 -7.530 1.00 0.00 C ATOM 811 CG2 ILE A 53 -2.677 3.416 -6.883 1.00 0.00 C ATOM 812 CD1 ILE A 53 -1.050 0.807 -6.843 1.00 0.00 C ATOM 0 H ILE A 53 -3.119 1.580 -10.554 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.803 2.170 -8.192 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.833 2.710 -8.704 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.180 0.715 -6.834 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.447 0.298 -8.371 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.734 3.369 -6.339 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.821 4.423 -7.274 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.497 3.167 -6.209 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.948 -0.227 -6.514 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.247 1.047 -7.540 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.991 1.470 -5.980 1.00 0.00 H new ATOM 824 N GLU A 54 -5.040 4.637 -8.613 1.00 0.00 N ATOM 825 CA GLU A 54 -5.376 6.017 -8.986 1.00 0.00 C ATOM 826 C GLU A 54 -4.395 7.029 -8.372 1.00 0.00 C ATOM 827 O GLU A 54 -3.686 7.736 -9.089 1.00 0.00 O ATOM 828 CB GLU A 54 -6.814 6.343 -8.554 1.00 0.00 C ATOM 829 CG GLU A 54 -7.883 5.598 -9.354 1.00 0.00 C ATOM 830 CD GLU A 54 -8.027 6.117 -10.780 1.00 0.00 C ATOM 831 OE1 GLU A 54 -7.174 5.787 -11.632 1.00 0.00 O ATOM 832 OE2 GLU A 54 -8.993 6.855 -11.054 1.00 0.00 O ATOM 0 H GLU A 54 -5.478 4.320 -7.748 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.296 6.097 -10.070 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.930 6.101 -7.498 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.979 7.416 -8.655 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.635 4.537 -9.382 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.841 5.688 -8.842 1.00 0.00 H new ATOM 839 N SER A 55 -4.350 7.092 -7.043 1.00 0.00 N ATOM 840 CA SER A 55 -3.485 8.056 -6.343 1.00 0.00 C ATOM 841 C SER A 55 -2.938 7.477 -5.034 1.00 0.00 C ATOM 842 O SER A 55 -3.602 6.678 -4.369 1.00 0.00 O ATOM 843 CB SER A 55 -4.248 9.355 -6.044 1.00 0.00 C ATOM 844 OG SER A 55 -3.423 10.296 -5.368 1.00 0.00 O ATOM 0 H SER A 55 -4.898 6.492 -6.426 1.00 0.00 H new ATOM 0 HA SER A 55 -2.646 8.272 -7.005 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.610 9.789 -6.976 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.124 9.133 -5.435 1.00 0.00 H new ATOM 0 HG SER A 55 -3.935 11.113 -5.193 1.00 0.00 H new ATOM 850 N ILE A 56 -1.724 7.889 -4.671 1.00 0.00 N ATOM 851 CA ILE A 56 -1.086 7.458 -3.425 1.00 0.00 C ATOM 852 C ILE A 56 -0.690 8.670 -2.565 1.00 0.00 C ATOM 853 O ILE A 56 0.016 9.569 -3.021 1.00 0.00 O ATOM 854 CB ILE A 56 0.171 6.589 -3.700 1.00 0.00 C ATOM 855 CG1 ILE A 56 -0.215 5.345 -4.521 1.00 0.00 C ATOM 856 CG2 ILE A 56 0.850 6.187 -2.387 1.00 0.00 C ATOM 857 CD1 ILE A 56 0.938 4.406 -4.811 1.00 0.00 C ATOM 0 H ILE A 56 -1.156 8.528 -5.228 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.815 6.855 -2.884 1.00 0.00 H new ATOM 0 HB ILE A 56 0.883 7.178 -4.278 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.989 4.796 -3.985 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.651 5.669 -5.466 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.728 5.579 -2.603 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.153 7.083 -1.845 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.152 5.613 -1.777 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.579 3.557 -5.393 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.705 4.935 -5.377 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.361 4.049 -3.872 1.00 0.00 H new ATOM 869 N GLN A 57 -1.153 8.688 -1.322 1.00 0.00 N ATOM 870 CA GLN A 57 -0.844 9.783 -0.395 1.00 0.00 C ATOM 871 C GLN A 57 0.123 9.317 0.702 1.00 0.00 C ATOM 872 O GLN A 57 -0.203 8.438 1.500 1.00 0.00 O ATOM 873 CB GLN A 57 -2.142 10.318 0.236 1.00 0.00 C ATOM 874 CG GLN A 57 -1.946 11.483 1.205 1.00 0.00 C ATOM 875 CD GLN A 57 -1.355 12.719 0.544 1.00 0.00 C ATOM 876 OE1 GLN A 57 -0.142 12.905 0.507 1.00 0.00 O ATOM 877 NE2 GLN A 57 -2.207 13.571 0.015 1.00 0.00 N ATOM 0 H GLN A 57 -1.745 7.958 -0.926 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.361 10.583 -0.957 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.814 10.635 -0.561 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -2.636 9.503 0.764 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.906 11.742 1.651 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -1.292 11.166 2.017 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.209 13.386 0.063 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.865 14.416 -0.443 1.00 0.00 H new ATOM 886 N LEU A 58 1.311 9.915 0.747 1.00 0.00 N ATOM 887 CA LEU A 58 2.313 9.573 1.766 1.00 0.00 C ATOM 888 C LEU A 58 2.280 10.585 2.919 1.00 0.00 C ATOM 889 O LEU A 58 2.210 11.794 2.694 1.00 0.00 O ATOM 890 CB LEU A 58 3.720 9.541 1.152 1.00 0.00 C ATOM 891 CG LEU A 58 3.927 8.528 0.010 1.00 0.00 C ATOM 892 CD1 LEU A 58 5.370 8.569 -0.489 1.00 0.00 C ATOM 893 CD2 LEU A 58 3.550 7.118 0.461 1.00 0.00 C ATOM 0 H LEU A 58 1.608 10.639 0.092 1.00 0.00 H new ATOM 0 HA LEU A 58 2.071 8.584 2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.956 10.537 0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.437 9.321 1.943 1.00 0.00 H new ATOM 0 HG LEU A 58 3.272 8.805 -0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.497 7.847 -1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.599 9.569 -0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.045 8.321 0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.704 6.420 -0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.174 6.827 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.502 7.100 0.761 1.00 0.00 H new ATOM 905 N MET A 59 2.352 10.093 4.151 1.00 0.00 N ATOM 906 CA MET A 59 2.238 10.960 5.326 1.00 0.00 C ATOM 907 C MET A 59 3.600 11.426 5.833 1.00 0.00 C ATOM 908 O MET A 59 4.468 10.624 6.196 1.00 0.00 O ATOM 909 CB MET A 59 1.466 10.250 6.438 1.00 0.00 C ATOM 910 CG MET A 59 -0.014 10.128 6.132 1.00 0.00 C ATOM 911 SD MET A 59 -0.795 11.747 5.962 1.00 0.00 S ATOM 912 CE MET A 59 -2.390 11.292 5.292 1.00 0.00 C ATOM 0 H MET A 59 2.488 9.105 4.365 1.00 0.00 H new ATOM 0 HA MET A 59 1.687 11.850 5.021 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.886 9.255 6.589 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.597 10.796 7.372 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.150 9.560 5.212 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.505 9.568 6.928 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.987 12.190 5.133 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.252 10.775 4.342 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.904 10.634 5.992 1.00 0.00 H new ATOM 1033 N LYS A 68 6.486 10.326 8.446 1.00 0.00 N ATOM 1034 CA LYS A 68 5.704 9.736 9.544 1.00 0.00 C ATOM 1035 C LYS A 68 5.818 8.201 9.556 1.00 0.00 C ATOM 1036 O LYS A 68 5.868 7.578 10.617 1.00 0.00 O ATOM 1037 CB LYS A 68 4.232 10.160 9.431 1.00 0.00 C ATOM 1038 CG LYS A 68 3.989 11.644 9.716 1.00 0.00 C ATOM 1039 CD LYS A 68 4.202 11.990 11.191 1.00 0.00 C ATOM 1040 CE LYS A 68 3.195 11.280 12.099 1.00 0.00 C ATOM 1041 NZ LYS A 68 1.793 11.702 11.825 1.00 0.00 N ATOM 0 HA LYS A 68 6.113 10.107 10.484 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.874 9.930 8.428 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.639 9.565 10.125 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.660 12.245 9.103 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.972 11.906 9.426 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.214 11.713 11.486 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.115 13.068 11.327 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.281 10.202 11.961 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.438 11.489 13.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.292 11.849 12.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.797 12.589 11.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.309 10.963 11.276 1.00 0.00 H new ATOM 1055 N GLY A 69 5.848 7.591 8.370 1.00 0.00 N ATOM 1056 CA GLY A 69 6.045 6.145 8.276 1.00 0.00 C ATOM 1057 C GLY A 69 4.820 5.367 7.797 1.00 0.00 C ATOM 1058 O GLY A 69 4.788 4.138 7.902 1.00 0.00 O ATOM 0 H GLY A 69 5.740 8.067 7.475 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.874 5.948 7.596 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.339 5.767 9.255 1.00 0.00 H new ATOM 1062 N TYR A 70 3.814 6.064 7.267 1.00 0.00 N ATOM 1063 CA TYR A 70 2.612 5.400 6.742 1.00 0.00 C ATOM 1064 C TYR A 70 1.981 6.194 5.587 1.00 0.00 C ATOM 1065 O TYR A 70 2.187 7.404 5.465 1.00 0.00 O ATOM 1066 CB TYR A 70 1.587 5.169 7.867 1.00 0.00 C ATOM 1067 CG TYR A 70 1.235 6.412 8.670 1.00 0.00 C ATOM 1068 CD1 TYR A 70 2.032 6.826 9.735 1.00 0.00 C ATOM 1069 CD2 TYR A 70 0.107 7.168 8.366 1.00 0.00 C ATOM 1070 CE1 TYR A 70 1.715 7.951 10.469 1.00 0.00 C ATOM 1071 CE2 TYR A 70 -0.214 8.294 9.097 1.00 0.00 C ATOM 1072 CZ TYR A 70 0.593 8.682 10.146 1.00 0.00 C ATOM 1073 OH TYR A 70 0.281 9.808 10.871 1.00 0.00 O ATOM 0 H TYR A 70 3.803 7.081 7.188 1.00 0.00 H new ATOM 0 HA TYR A 70 2.918 4.432 6.344 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.674 4.764 7.431 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.978 4.412 8.547 1.00 0.00 H new ATOM 0 HD1 TYR A 70 2.913 6.257 9.991 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.528 6.869 7.545 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.343 8.257 11.292 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -1.094 8.869 8.848 1.00 0.00 H new ATOM 0 HH TYR A 70 -0.539 10.209 10.515 1.00 0.00 H new ATOM 1083 N GLY A 71 1.228 5.502 4.732 1.00 0.00 N ATOM 1084 CA GLY A 71 0.587 6.146 3.588 1.00 0.00 C ATOM 1085 C GLY A 71 -0.713 5.460 3.165 1.00 0.00 C ATOM 1086 O GLY A 71 -0.953 4.304 3.508 1.00 0.00 O ATOM 0 H GLY A 71 1.048 4.501 4.810 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.378 7.187 3.835 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.279 6.151 2.746 1.00 0.00 H new ATOM 1090 N PHE A 72 -1.552 6.181 2.423 1.00 0.00 N ATOM 1091 CA PHE A 72 -2.831 5.646 1.935 1.00 0.00 C ATOM 1092 C PHE A 72 -2.827 5.490 0.402 1.00 0.00 C ATOM 1093 O PHE A 72 -2.633 6.462 -0.330 1.00 0.00 O ATOM 1094 CB PHE A 72 -3.986 6.571 2.348 1.00 0.00 C ATOM 1095 CG PHE A 72 -4.234 6.631 3.837 1.00 0.00 C ATOM 1096 CD1 PHE A 72 -3.531 7.516 4.645 1.00 0.00 C ATOM 1097 CD2 PHE A 72 -5.180 5.801 4.428 1.00 0.00 C ATOM 1098 CE1 PHE A 72 -3.766 7.570 6.007 1.00 0.00 C ATOM 1099 CE2 PHE A 72 -5.417 5.853 5.789 1.00 0.00 C ATOM 1100 CZ PHE A 72 -4.710 6.737 6.579 1.00 0.00 C ATOM 0 H PHE A 72 -1.371 7.145 2.143 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.969 4.662 2.383 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.777 7.578 1.986 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.898 6.237 1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.792 8.169 4.205 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.737 5.107 3.816 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.212 8.263 6.624 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.155 5.202 6.234 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.894 6.778 7.642 1.00 0.00 H new ATOM 1110 N ILE A 73 -3.046 4.267 -0.076 1.00 0.00 N ATOM 1111 CA ILE A 73 -3.093 3.989 -1.518 1.00 0.00 C ATOM 1112 C ILE A 73 -4.541 3.802 -2.005 1.00 0.00 C ATOM 1113 O ILE A 73 -5.327 3.090 -1.384 1.00 0.00 O ATOM 1114 CB ILE A 73 -2.270 2.722 -1.868 1.00 0.00 C ATOM 1115 CG1 ILE A 73 -0.814 2.888 -1.398 1.00 0.00 C ATOM 1116 CG2 ILE A 73 -2.330 2.440 -3.369 1.00 0.00 C ATOM 1117 CD1 ILE A 73 0.050 1.664 -1.623 1.00 0.00 C ATOM 0 H ILE A 73 -3.195 3.447 0.513 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.658 4.851 -2.023 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.704 1.868 -1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.369 3.735 -1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.812 3.131 -0.336 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.747 1.547 -3.595 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.366 2.282 -3.668 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.920 3.289 -3.915 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.061 1.861 -1.266 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.369 0.818 -1.078 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.081 1.431 -2.687 1.00 0.00 H new ATOM 1129 N THR A 74 -4.886 4.440 -3.122 1.00 0.00 N ATOM 1130 CA THR A 74 -6.261 4.381 -3.652 1.00 0.00 C ATOM 1131 C THR A 74 -6.351 3.564 -4.954 1.00 0.00 C ATOM 1132 O THR A 74 -5.743 3.915 -5.968 1.00 0.00 O ATOM 1133 CB THR A 74 -6.822 5.801 -3.911 1.00 0.00 C ATOM 1134 OG1 THR A 74 -6.769 6.578 -2.705 1.00 0.00 O ATOM 1135 CG2 THR A 74 -8.263 5.748 -4.422 1.00 0.00 C ATOM 0 H THR A 74 -4.243 5.002 -3.679 1.00 0.00 H new ATOM 0 HA THR A 74 -6.859 3.883 -2.889 1.00 0.00 H new ATOM 0 HB THR A 74 -6.204 6.268 -4.678 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.124 7.475 -2.878 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.626 6.761 -4.593 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.297 5.187 -5.356 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.894 5.257 -3.681 1.00 0.00 H new ATOM 1143 N PHE A 75 -7.123 2.477 -4.917 1.00 0.00 N ATOM 1144 CA PHE A 75 -7.385 1.649 -6.106 1.00 0.00 C ATOM 1145 C PHE A 75 -8.746 1.993 -6.733 1.00 0.00 C ATOM 1146 O PHE A 75 -9.675 2.400 -6.039 1.00 0.00 O ATOM 1147 CB PHE A 75 -7.368 0.156 -5.741 1.00 0.00 C ATOM 1148 CG PHE A 75 -6.006 -0.394 -5.398 1.00 0.00 C ATOM 1149 CD1 PHE A 75 -5.374 -0.047 -4.212 1.00 0.00 C ATOM 1150 CD2 PHE A 75 -5.364 -1.279 -6.258 1.00 0.00 C ATOM 1151 CE1 PHE A 75 -4.135 -0.569 -3.893 1.00 0.00 C ATOM 1152 CE2 PHE A 75 -4.125 -1.799 -5.942 1.00 0.00 C ATOM 1153 CZ PHE A 75 -3.511 -1.445 -4.758 1.00 0.00 C ATOM 0 H PHE A 75 -7.584 2.143 -4.070 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.596 1.859 -6.828 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.034 -0.004 -4.893 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.775 -0.413 -6.577 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.856 0.639 -3.531 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.841 -1.563 -7.185 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.655 -0.291 -2.966 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.637 -2.482 -6.621 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.543 -1.853 -4.508 1.00 0.00 H new ATOM 1163 N SER A 76 -8.859 1.811 -8.047 1.00 0.00 N ATOM 1164 CA SER A 76 -10.125 2.070 -8.759 1.00 0.00 C ATOM 1165 C SER A 76 -11.088 0.874 -8.654 1.00 0.00 C ATOM 1166 O SER A 76 -12.187 0.893 -9.211 1.00 0.00 O ATOM 1167 CB SER A 76 -9.845 2.392 -10.235 1.00 0.00 C ATOM 1168 OG SER A 76 -11.037 2.710 -10.939 1.00 0.00 O ATOM 0 H SER A 76 -8.098 1.487 -8.644 1.00 0.00 H new ATOM 0 HA SER A 76 -10.604 2.928 -8.286 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.150 3.229 -10.299 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.360 1.538 -10.708 1.00 0.00 H new ATOM 0 HG SER A 76 -11.777 2.169 -10.591 1.00 0.00 H new ATOM 1174 N ASP A 77 -10.675 -0.170 -7.932 1.00 0.00 N ATOM 1175 CA ASP A 77 -11.507 -1.363 -7.747 1.00 0.00 C ATOM 1176 C ASP A 77 -11.363 -1.932 -6.322 1.00 0.00 C ATOM 1177 O ASP A 77 -10.255 -2.045 -5.791 1.00 0.00 O ATOM 1178 CB ASP A 77 -11.141 -2.431 -8.787 1.00 0.00 C ATOM 1179 CG ASP A 77 -12.105 -3.603 -8.767 1.00 0.00 C ATOM 1180 OD1 ASP A 77 -13.148 -3.528 -9.454 1.00 0.00 O ATOM 1181 OD2 ASP A 77 -11.836 -4.593 -8.059 1.00 0.00 O ATOM 0 H ASP A 77 -9.769 -0.214 -7.465 1.00 0.00 H new ATOM 0 HA ASP A 77 -12.548 -1.072 -7.887 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -11.137 -1.982 -9.780 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.130 -2.791 -8.596 1.00 0.00 H new ATOM 1186 N SER A 78 -12.496 -2.294 -5.720 1.00 0.00 N ATOM 1187 CA SER A 78 -12.531 -2.819 -4.345 1.00 0.00 C ATOM 1188 C SER A 78 -11.823 -4.176 -4.216 1.00 0.00 C ATOM 1189 O SER A 78 -11.005 -4.376 -3.316 1.00 0.00 O ATOM 1190 CB SER A 78 -13.982 -2.951 -3.863 1.00 0.00 C ATOM 1191 OG SER A 78 -14.046 -3.493 -2.553 1.00 0.00 O ATOM 0 H SER A 78 -13.412 -2.234 -6.164 1.00 0.00 H new ATOM 0 HA SER A 78 -11.994 -2.105 -3.721 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.462 -1.972 -3.877 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.538 -3.589 -4.550 1.00 0.00 H new ATOM 0 HG SER A 78 -14.983 -3.563 -2.273 1.00 0.00 H new ATOM 1197 N GLU A 79 -12.128 -5.106 -5.118 1.00 0.00 N ATOM 1198 CA GLU A 79 -11.567 -6.464 -5.043 1.00 0.00 C ATOM 1199 C GLU A 79 -10.076 -6.477 -5.404 1.00 0.00 C ATOM 1200 O GLU A 79 -9.297 -7.238 -4.829 1.00 0.00 O ATOM 1201 CB GLU A 79 -12.354 -7.422 -5.946 1.00 0.00 C ATOM 1202 CG GLU A 79 -13.807 -7.584 -5.515 1.00 0.00 C ATOM 1203 CD GLU A 79 -14.601 -8.522 -6.406 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -14.617 -9.741 -6.129 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -15.228 -8.041 -7.377 1.00 0.00 O ATOM 0 H GLU A 79 -12.756 -4.951 -5.907 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.658 -6.806 -4.012 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.323 -7.054 -6.972 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.868 -8.398 -5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.835 -7.957 -4.491 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.288 -6.606 -5.511 1.00 0.00 H new ATOM 1212 N CYS A 80 -9.689 -5.626 -6.349 1.00 0.00 N ATOM 1213 CA CYS A 80 -8.274 -5.438 -6.691 1.00 0.00 C ATOM 1214 C CYS A 80 -7.474 -4.963 -5.471 1.00 0.00 C ATOM 1215 O CYS A 80 -6.383 -5.464 -5.190 1.00 0.00 O ATOM 1216 CB CYS A 80 -8.133 -4.421 -7.829 1.00 0.00 C ATOM 1217 SG CYS A 80 -6.423 -4.041 -8.270 1.00 0.00 S ATOM 0 H CYS A 80 -10.332 -5.053 -6.895 1.00 0.00 H new ATOM 0 HA CYS A 80 -7.875 -6.399 -7.016 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -8.648 -4.804 -8.710 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -8.637 -3.498 -7.542 1.00 0.00 H new ATOM 0 HG CYS A 80 -5.867 -3.365 -7.309 1.00 0.00 H new ATOM 1223 N ALA A 81 -8.033 -4.000 -4.744 1.00 0.00 N ATOM 1224 CA ALA A 81 -7.409 -3.493 -3.522 1.00 0.00 C ATOM 1225 C ALA A 81 -7.353 -4.568 -2.425 1.00 0.00 C ATOM 1226 O ALA A 81 -6.314 -4.777 -1.799 1.00 0.00 O ATOM 1227 CB ALA A 81 -8.158 -2.266 -3.022 1.00 0.00 C ATOM 0 H ALA A 81 -8.919 -3.553 -4.979 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.383 -3.214 -3.763 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.685 -1.897 -2.112 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.133 -1.488 -3.785 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.193 -2.533 -2.810 1.00 0.00 H new ATOM 1233 N LYS A 82 -8.476 -5.248 -2.202 1.00 0.00 N ATOM 1234 CA LYS A 82 -8.550 -6.310 -1.191 1.00 0.00 C ATOM 1235 C LYS A 82 -7.566 -7.451 -1.504 1.00 0.00 C ATOM 1236 O LYS A 82 -7.001 -8.065 -0.596 1.00 0.00 O ATOM 1237 CB LYS A 82 -9.986 -6.848 -1.091 1.00 0.00 C ATOM 1238 CG LYS A 82 -10.179 -7.904 0.000 1.00 0.00 C ATOM 1239 CD LYS A 82 -11.657 -8.206 0.251 1.00 0.00 C ATOM 1240 CE LYS A 82 -12.334 -8.847 -0.955 1.00 0.00 C ATOM 1241 NZ LYS A 82 -11.817 -10.214 -1.235 1.00 0.00 N ATOM 0 H LYS A 82 -9.348 -5.085 -2.705 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.266 -5.882 -0.230 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.663 -6.015 -0.900 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.271 -7.277 -2.052 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -9.666 -8.821 -0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.718 -7.558 0.925 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.748 -8.870 1.110 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.175 -7.282 0.506 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.409 -8.896 -0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.181 -8.217 -1.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.387 -10.654 -1.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.825 -10.154 -1.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.877 -10.791 -0.372 1.00 0.00 H new ATOM 1255 N LYS A 83 -7.359 -7.722 -2.794 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.389 -8.733 -3.227 1.00 0.00 C ATOM 1257 C LYS A 83 -4.954 -8.300 -2.883 1.00 0.00 C ATOM 1258 O LYS A 83 -4.184 -9.066 -2.302 1.00 0.00 O ATOM 1259 CB LYS A 83 -6.516 -8.990 -4.737 1.00 0.00 C ATOM 1260 CG LYS A 83 -5.625 -10.123 -5.242 1.00 0.00 C ATOM 1261 CD LYS A 83 -5.788 -10.350 -6.741 1.00 0.00 C ATOM 1262 CE LYS A 83 -4.975 -11.548 -7.216 1.00 0.00 C ATOM 1263 NZ LYS A 83 -5.399 -12.808 -6.549 1.00 0.00 N ATOM 0 H LYS A 83 -7.849 -7.256 -3.558 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.607 -9.658 -2.693 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.555 -9.224 -4.971 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.266 -8.075 -5.275 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.583 -9.891 -5.021 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.868 -11.041 -4.707 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.841 -10.508 -6.974 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.473 -9.458 -7.282 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.083 -11.655 -8.295 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.918 -11.371 -7.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.013 -13.622 -7.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.044 -12.820 -5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.437 -12.864 -6.540 1.00 0.00 H new ATOM 1277 N ALA A 84 -4.605 -7.062 -3.241 1.00 0.00 N ATOM 1278 CA ALA A 84 -3.292 -6.496 -2.905 1.00 0.00 C ATOM 1279 C ALA A 84 -3.058 -6.500 -1.385 1.00 0.00 C ATOM 1280 O ALA A 84 -1.988 -6.876 -0.907 1.00 0.00 O ATOM 1281 CB ALA A 84 -3.171 -5.078 -3.461 1.00 0.00 C ATOM 0 H ALA A 84 -5.212 -6.431 -3.764 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.525 -7.121 -3.363 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.193 -4.669 -3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.282 -5.102 -4.545 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.951 -4.450 -3.030 1.00 0.00 H new ATOM 1287 N LEU A 85 -4.081 -6.087 -0.638 1.00 0.00 N ATOM 1288 CA LEU A 85 -4.035 -6.090 0.828 1.00 0.00 C ATOM 1289 C LEU A 85 -3.729 -7.496 1.366 1.00 0.00 C ATOM 1290 O LEU A 85 -2.728 -7.704 2.044 1.00 0.00 O ATOM 1291 CB LEU A 85 -5.377 -5.564 1.385 1.00 0.00 C ATOM 1292 CG LEU A 85 -5.486 -5.411 2.923 1.00 0.00 C ATOM 1293 CD1 LEU A 85 -6.601 -4.432 3.286 1.00 0.00 C ATOM 1294 CD2 LEU A 85 -5.742 -6.757 3.610 1.00 0.00 C ATOM 0 H LEU A 85 -4.960 -5.743 -1.026 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.231 -5.433 1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.574 -4.592 0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.169 -6.236 1.054 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.531 -5.023 3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.663 -4.337 4.370 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.386 -3.457 2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.550 -4.802 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.812 -6.608 4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.675 -7.182 3.241 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.921 -7.439 3.391 1.00 0.00 H new ATOM 1306 N GLU A 86 -4.587 -8.457 1.030 1.00 0.00 N ATOM 1307 CA GLU A 86 -4.504 -9.815 1.579 1.00 0.00 C ATOM 1308 C GLU A 86 -3.181 -10.521 1.209 1.00 0.00 C ATOM 1309 O GLU A 86 -2.726 -11.422 1.922 1.00 0.00 O ATOM 1310 CB GLU A 86 -5.708 -10.630 1.085 1.00 0.00 C ATOM 1311 CG GLU A 86 -5.838 -12.009 1.717 1.00 0.00 C ATOM 1312 CD GLU A 86 -7.084 -12.749 1.254 1.00 0.00 C ATOM 1313 OE1 GLU A 86 -7.018 -13.443 0.217 1.00 0.00 O ATOM 1314 OE2 GLU A 86 -8.138 -12.635 1.921 1.00 0.00 O ATOM 0 H GLU A 86 -5.356 -8.321 0.374 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.522 -9.743 2.666 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.619 -10.066 1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.634 -10.745 0.004 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.956 -12.601 1.473 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.863 -11.907 2.802 1.00 0.00 H new ATOM 1321 N GLN A 87 -2.558 -10.111 0.104 1.00 0.00 N ATOM 1322 CA GLN A 87 -1.301 -10.722 -0.342 1.00 0.00 C ATOM 1323 C GLN A 87 -0.073 -10.017 0.255 1.00 0.00 C ATOM 1324 O GLN A 87 0.962 -10.642 0.485 1.00 0.00 O ATOM 1325 CB GLN A 87 -1.221 -10.703 -1.875 1.00 0.00 C ATOM 1326 CG GLN A 87 -2.259 -11.589 -2.563 1.00 0.00 C ATOM 1327 CD GLN A 87 -1.957 -13.076 -2.444 1.00 0.00 C ATOM 1328 OE1 GLN A 87 -1.343 -13.534 -1.481 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -2.384 -13.844 -3.424 1.00 0.00 N ATOM 0 H GLN A 87 -2.900 -9.362 -0.498 1.00 0.00 H new ATOM 0 HA GLN A 87 -1.295 -11.752 0.013 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.346 -9.677 -2.222 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -0.225 -11.024 -2.181 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.240 -11.389 -2.132 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.314 -11.320 -3.618 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -2.890 -13.435 -4.209 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -2.209 -14.848 -3.398 1.00 0.00 H new ATOM 1338 N LEU A 88 -0.187 -8.714 0.502 1.00 0.00 N ATOM 1339 CA LEU A 88 0.947 -7.918 0.989 1.00 0.00 C ATOM 1340 C LEU A 88 0.852 -7.611 2.493 1.00 0.00 C ATOM 1341 O LEU A 88 1.784 -7.056 3.081 1.00 0.00 O ATOM 1342 CB LEU A 88 1.041 -6.618 0.184 1.00 0.00 C ATOM 1343 CG LEU A 88 1.199 -6.819 -1.331 1.00 0.00 C ATOM 1344 CD1 LEU A 88 1.158 -5.489 -2.066 1.00 0.00 C ATOM 1345 CD2 LEU A 88 2.488 -7.570 -1.641 1.00 0.00 C ATOM 0 H LEU A 88 -1.049 -8.184 0.375 1.00 0.00 H new ATOM 0 HA LEU A 88 1.851 -8.510 0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.145 -6.026 0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.888 -6.038 0.551 1.00 0.00 H new ATOM 0 HG LEU A 88 0.360 -7.420 -1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.272 -5.661 -3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.203 -4.998 -1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.969 -4.853 -1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.582 -7.702 -2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.340 -7.000 -1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.466 -8.546 -1.156 1.00 0.00 H new ATOM 1357 N ASN A 89 -0.270 -7.967 3.111 1.00 0.00 N ATOM 1358 CA ASN A 89 -0.448 -7.806 4.558 1.00 0.00 C ATOM 1359 C ASN A 89 0.515 -8.729 5.329 1.00 0.00 C ATOM 1360 O ASN A 89 0.213 -9.895 5.586 1.00 0.00 O ATOM 1361 CB ASN A 89 -1.909 -8.096 4.937 1.00 0.00 C ATOM 1362 CG ASN A 89 -2.189 -7.901 6.417 1.00 0.00 C ATOM 1363 OD1 ASN A 89 -2.046 -8.821 7.214 1.00 0.00 O ATOM 1364 ND2 ASN A 89 -2.608 -6.712 6.795 1.00 0.00 N ATOM 0 H ASN A 89 -1.076 -8.371 2.633 1.00 0.00 H new ATOM 0 HA ASN A 89 -0.214 -6.777 4.832 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -2.564 -7.444 4.360 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -2.154 -9.121 4.659 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -2.824 -6.536 7.776 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -2.717 -5.967 6.107 1.00 0.00 H new ATOM 1371 N GLY A 90 1.689 -8.196 5.670 1.00 0.00 N ATOM 1372 CA GLY A 90 2.725 -8.991 6.328 1.00 0.00 C ATOM 1373 C GLY A 90 3.983 -9.159 5.471 1.00 0.00 C ATOM 1374 O GLY A 90 4.924 -9.850 5.867 1.00 0.00 O ATOM 0 H GLY A 90 1.945 -7.223 5.502 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.995 -8.517 7.271 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.322 -9.975 6.570 1.00 0.00 H new ATOM 1378 N PHE A 91 3.996 -8.521 4.299 1.00 0.00 N ATOM 1379 CA PHE A 91 5.145 -8.574 3.380 1.00 0.00 C ATOM 1380 C PHE A 91 6.393 -7.915 3.991 1.00 0.00 C ATOM 1381 O PHE A 91 6.308 -6.836 4.575 1.00 0.00 O ATOM 1382 CB PHE A 91 4.777 -7.880 2.055 1.00 0.00 C ATOM 1383 CG PHE A 91 5.902 -7.823 1.044 1.00 0.00 C ATOM 1384 CD1 PHE A 91 6.180 -8.913 0.232 1.00 0.00 C ATOM 1385 CD2 PHE A 91 6.680 -6.679 0.906 1.00 0.00 C ATOM 1386 CE1 PHE A 91 7.206 -8.865 -0.693 1.00 0.00 C ATOM 1387 CE2 PHE A 91 7.708 -6.628 -0.017 1.00 0.00 C ATOM 1388 CZ PHE A 91 7.971 -7.722 -0.817 1.00 0.00 C ATOM 0 H PHE A 91 3.219 -7.956 3.958 1.00 0.00 H new ATOM 0 HA PHE A 91 5.383 -9.622 3.195 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.930 -8.402 1.609 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.447 -6.864 2.271 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.587 -9.811 0.324 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.479 -5.819 1.528 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.409 -9.721 -1.319 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.305 -5.733 -0.112 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.774 -7.684 -1.539 1.00 0.00 H new ATOM 1398 N GLU A 92 7.548 -8.561 3.849 1.00 0.00 N ATOM 1399 CA GLU A 92 8.809 -8.019 4.375 1.00 0.00 C ATOM 1400 C GLU A 92 9.266 -6.783 3.576 1.00 0.00 C ATOM 1401 O GLU A 92 10.129 -6.872 2.703 1.00 0.00 O ATOM 1402 CB GLU A 92 9.910 -9.094 4.353 1.00 0.00 C ATOM 1403 CG GLU A 92 9.583 -10.347 5.163 1.00 0.00 C ATOM 1404 CD GLU A 92 9.400 -10.069 6.649 1.00 0.00 C ATOM 1405 OE1 GLU A 92 10.400 -9.762 7.328 1.00 0.00 O ATOM 1406 OE2 GLU A 92 8.258 -10.171 7.147 1.00 0.00 O ATOM 0 H GLU A 92 7.642 -9.460 3.376 1.00 0.00 H new ATOM 0 HA GLU A 92 8.631 -7.712 5.406 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.098 -9.383 3.319 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.833 -8.659 4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.672 -10.799 4.770 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.383 -11.076 5.032 1.00 0.00 H new ATOM 1413 N LEU A 93 8.673 -5.630 3.872 1.00 0.00 N ATOM 1414 CA LEU A 93 8.983 -4.391 3.151 1.00 0.00 C ATOM 1415 C LEU A 93 10.225 -3.693 3.730 1.00 0.00 C ATOM 1416 O LEU A 93 10.245 -3.303 4.901 1.00 0.00 O ATOM 1417 CB LEU A 93 7.787 -3.432 3.200 1.00 0.00 C ATOM 1418 CG LEU A 93 8.013 -2.082 2.501 1.00 0.00 C ATOM 1419 CD1 LEU A 93 8.170 -2.265 0.993 1.00 0.00 C ATOM 1420 CD2 LEU A 93 6.878 -1.112 2.818 1.00 0.00 C ATOM 0 H LEU A 93 7.973 -5.524 4.607 1.00 0.00 H new ATOM 0 HA LEU A 93 9.194 -4.660 2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.927 -3.922 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.531 -3.247 4.243 1.00 0.00 H new ATOM 0 HG LEU A 93 8.940 -1.655 2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.329 -1.294 0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 93 9.026 -2.910 0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.268 -2.722 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.059 -0.163 2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.933 -1.532 2.473 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.831 -0.947 3.894 1.00 0.00 H new ATOM 1432 N ALA A 94 11.263 -3.546 2.906 1.00 0.00 N ATOM 1433 CA ALA A 94 12.485 -2.836 3.306 1.00 0.00 C ATOM 1434 C ALA A 94 13.127 -3.449 4.565 1.00 0.00 C ATOM 1435 O ALA A 94 13.823 -2.762 5.324 1.00 0.00 O ATOM 1436 CB ALA A 94 12.171 -1.356 3.518 1.00 0.00 C ATOM 0 H ALA A 94 11.285 -3.910 1.953 1.00 0.00 H new ATOM 0 HA ALA A 94 13.214 -2.939 2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 94 13.079 -0.830 3.815 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.791 -0.928 2.590 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.419 -1.252 4.300 1.00 0.00 H new ATOM 1442 N GLY A 95 12.887 -4.743 4.774 1.00 0.00 N ATOM 1443 CA GLY A 95 13.458 -5.453 5.921 1.00 0.00 C ATOM 1444 C GLY A 95 12.542 -5.465 7.145 1.00 0.00 C ATOM 1445 O GLY A 95 12.966 -5.825 8.244 1.00 0.00 O ATOM 0 H GLY A 95 12.304 -5.320 4.168 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.677 -6.480 5.630 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.407 -4.989 6.191 1.00 0.00 H new ATOM 1449 N ARG A 96 11.288 -5.057 6.955 1.00 0.00 N ATOM 1450 CA ARG A 96 10.294 -5.026 8.040 1.00 0.00 C ATOM 1451 C ARG A 96 8.889 -5.364 7.505 1.00 0.00 C ATOM 1452 O ARG A 96 8.516 -4.919 6.421 1.00 0.00 O ATOM 1453 CB ARG A 96 10.286 -3.637 8.709 1.00 0.00 C ATOM 1454 CG ARG A 96 11.515 -3.360 9.569 1.00 0.00 C ATOM 1455 CD ARG A 96 11.610 -1.898 9.990 1.00 0.00 C ATOM 1456 NE ARG A 96 12.673 -1.678 10.972 1.00 0.00 N ATOM 1457 CZ ARG A 96 13.937 -1.514 10.683 1.00 0.00 C ATOM 1458 NH1 ARG A 96 14.362 -1.627 9.466 1.00 0.00 N ATOM 1459 NH2 ARG A 96 14.782 -1.268 11.626 1.00 0.00 N ATOM 0 H ARG A 96 10.929 -4.740 6.054 1.00 0.00 H new ATOM 0 HA ARG A 96 10.569 -5.778 8.780 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.216 -2.872 7.936 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.393 -3.547 9.328 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.483 -3.990 10.458 1.00 0.00 H new ATOM 0 HG3 ARG A 96 12.413 -3.635 9.015 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.794 -1.279 9.112 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.656 -1.579 10.411 1.00 0.00 H new ATOM 0 HE ARG A 96 12.407 -1.651 11.956 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.707 -1.847 8.716 1.00 0.00 H new ATOM 0 HH12 ARG A 96 15.352 -1.496 9.257 1.00 0.00 H new ATOM 0 HH21 ARG A 96 14.463 -1.202 12.593 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.769 -1.139 11.405 1.00 0.00 H new ATOM 1473 N PRO A 97 8.091 -6.152 8.256 1.00 0.00 N ATOM 1474 CA PRO A 97 6.729 -6.536 7.832 1.00 0.00 C ATOM 1475 C PRO A 97 5.836 -5.322 7.514 1.00 0.00 C ATOM 1476 O PRO A 97 5.815 -4.334 8.252 1.00 0.00 O ATOM 1477 CB PRO A 97 6.174 -7.323 9.038 1.00 0.00 C ATOM 1478 CG PRO A 97 7.089 -6.999 10.175 1.00 0.00 C ATOM 1479 CD PRO A 97 8.437 -6.735 9.562 1.00 0.00 C ATOM 0 HA PRO A 97 6.748 -7.113 6.908 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.149 -7.028 9.262 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.161 -8.394 8.836 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.734 -6.128 10.725 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.138 -7.826 10.884 1.00 0.00 H new ATOM 0 HD2 PRO A 97 9.030 -6.049 10.167 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.019 -7.650 9.455 1.00 0.00 H new ATOM 1487 N MET A 98 5.086 -5.411 6.420 1.00 0.00 N ATOM 1488 CA MET A 98 4.252 -4.300 5.951 1.00 0.00 C ATOM 1489 C MET A 98 2.791 -4.476 6.383 1.00 0.00 C ATOM 1490 O MET A 98 2.125 -5.441 6.005 1.00 0.00 O ATOM 1491 CB MET A 98 4.350 -4.183 4.420 1.00 0.00 C ATOM 1492 CG MET A 98 3.517 -3.053 3.830 1.00 0.00 C ATOM 1493 SD MET A 98 3.896 -2.728 2.095 1.00 0.00 S ATOM 1494 CE MET A 98 3.585 -4.328 1.357 1.00 0.00 C ATOM 0 H MET A 98 5.036 -6.245 5.835 1.00 0.00 H new ATOM 0 HA MET A 98 4.622 -3.381 6.405 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.394 -4.034 4.143 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.034 -5.125 3.973 1.00 0.00 H new ATOM 0 HG2 MET A 98 2.460 -3.301 3.925 1.00 0.00 H new ATOM 0 HG3 MET A 98 3.685 -2.145 4.409 1.00 0.00 H new ATOM 0 HE1 MET A 98 3.121 -4.194 0.380 1.00 0.00 H new ATOM 0 HE2 MET A 98 4.527 -4.864 1.241 1.00 0.00 H new ATOM 0 HE3 MET A 98 2.917 -4.902 2.000 1.00 0.00 H new ATOM 1504 N LYS A 99 2.301 -3.527 7.178 1.00 0.00 N ATOM 1505 CA LYS A 99 0.930 -3.570 7.692 1.00 0.00 C ATOM 1506 C LYS A 99 -0.049 -2.882 6.730 1.00 0.00 C ATOM 1507 O LYS A 99 -0.193 -1.659 6.740 1.00 0.00 O ATOM 1508 CB LYS A 99 0.868 -2.902 9.076 1.00 0.00 C ATOM 1509 CG LYS A 99 1.722 -3.598 10.135 1.00 0.00 C ATOM 1510 CD LYS A 99 1.656 -2.886 11.487 1.00 0.00 C ATOM 1511 CE LYS A 99 2.510 -3.588 12.540 1.00 0.00 C ATOM 1512 NZ LYS A 99 2.025 -4.964 12.822 1.00 0.00 N ATOM 0 H LYS A 99 2.835 -2.713 7.483 1.00 0.00 H new ATOM 0 HA LYS A 99 0.634 -4.615 7.781 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.193 -1.866 8.984 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.168 -2.882 9.414 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.386 -4.628 10.252 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.757 -3.637 9.797 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.994 -1.856 11.372 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.621 -2.846 11.826 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.544 -3.631 12.198 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.502 -3.005 13.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.520 -5.343 13.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 1.002 -4.940 13.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.213 -5.574 12.001 1.00 0.00 H new ATOM 1526 N VAL A 100 -0.700 -3.678 5.885 1.00 0.00 N ATOM 1527 CA VAL A 100 -1.673 -3.160 4.915 1.00 0.00 C ATOM 1528 C VAL A 100 -3.111 -3.464 5.362 1.00 0.00 C ATOM 1529 O VAL A 100 -3.559 -4.606 5.286 1.00 0.00 O ATOM 1530 CB VAL A 100 -1.449 -3.774 3.509 1.00 0.00 C ATOM 1531 CG1 VAL A 100 -2.310 -3.068 2.461 1.00 0.00 C ATOM 1532 CG2 VAL A 100 0.026 -3.729 3.123 1.00 0.00 C ATOM 0 H VAL A 100 -0.573 -4.689 5.849 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.526 -2.081 4.864 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.755 -4.820 3.546 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.135 -3.517 1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.362 -3.172 2.725 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.048 -2.011 2.427 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.156 -4.166 2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.368 -2.694 3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.610 -4.295 3.849 1.00 0.00 H new ATOM 1542 N GLY A 101 -3.823 -2.447 5.834 1.00 0.00 N ATOM 1543 CA GLY A 101 -5.204 -2.639 6.276 1.00 0.00 C ATOM 1544 C GLY A 101 -6.143 -1.573 5.729 1.00 0.00 C ATOM 1545 O GLY A 101 -5.722 -0.457 5.452 1.00 0.00 O ATOM 0 H GLY A 101 -3.475 -1.492 5.921 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.551 -3.622 5.958 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.239 -2.626 7.365 1.00 0.00 H new ATOM 1549 N HIS A 102 -7.418 -1.915 5.557 1.00 0.00 N ATOM 1550 CA HIS A 102 -8.409 -0.939 5.081 1.00 0.00 C ATOM 1551 C HIS A 102 -8.688 0.128 6.154 1.00 0.00 C ATOM 1552 O HIS A 102 -8.217 0.020 7.289 1.00 0.00 O ATOM 1553 CB HIS A 102 -9.714 -1.644 4.682 1.00 0.00 C ATOM 1554 CG HIS A 102 -10.449 -2.261 5.831 1.00 0.00 C ATOM 1555 ND1 HIS A 102 -11.336 -1.560 6.614 1.00 0.00 N ATOM 1556 CD2 HIS A 102 -10.426 -3.518 6.332 1.00 0.00 C ATOM 1557 CE1 HIS A 102 -11.826 -2.354 7.541 1.00 0.00 C ATOM 1558 NE2 HIS A 102 -11.294 -3.549 7.393 1.00 0.00 N ATOM 0 H HIS A 102 -7.791 -2.847 5.736 1.00 0.00 H new ATOM 0 HA HIS A 102 -7.997 -0.443 4.202 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -10.368 -0.924 4.190 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -9.487 -2.420 3.951 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -9.834 -4.343 5.964 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -12.544 -2.073 8.297 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -11.495 -4.364 7.972 1.00 0.00 H new