USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=16 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 83 LYS NZ :NH3+ 136:sc= 1.26 (180deg=-0.141) USER MOD Set 1.2: A 87 GLN : amide:sc= -4.46! C(o=-3.2!,f=-10!) USER MOD Single : A 27 MET CE :methyl 141:sc= -0.152 (180deg=-0.727) USER MOD Single : A 30 TYR OH : rot -33:sc= 1.47 USER MOD Single : A 33 SER OG : rot 100:sc= -0.337 USER MOD Single : A 35 HIS : no HE2:sc= -1.24 K(o=-1.2,f=-2.3!) USER MOD Single : A 37 ASN : amide:sc= 0.0573 X(o=0.057,f=-0.019) USER MOD Single : A 39 THR OG1 : rot -93:sc= -0.0111! 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= -1.97! K(o=-2!,f=-0.032) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00381) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 65:sc= 1.19 USER MOD Single : A 82 LYS NZ :NH3+ -142:sc= -1.76 (180deg=-4.31!) USER MOD Single : A 89 ASN : amide:sc= -0.903 K(o=-0.9,f=-4.1!) USER MOD Single : A 98 MET CE :methyl -170:sc= -0.594 (180deg=-0.765) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HE2:sc= 0.325 K(o=0.33,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 359 N PRO A 26 -14.133 4.280 -4.829 1.00 0.00 N ATOM 360 CA PRO A 26 -12.666 4.199 -4.707 1.00 0.00 C ATOM 361 C PRO A 26 -12.230 3.664 -3.329 1.00 0.00 C ATOM 362 O PRO A 26 -12.548 4.250 -2.291 1.00 0.00 O ATOM 363 CB PRO A 26 -12.209 5.655 -4.901 1.00 0.00 C ATOM 364 CG PRO A 26 -13.397 6.481 -4.536 1.00 0.00 C ATOM 365 CD PRO A 26 -14.602 5.675 -4.948 1.00 0.00 C ATOM 0 HA PRO A 26 -12.229 3.510 -5.429 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.355 5.889 -4.266 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.901 5.839 -5.930 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.414 6.690 -3.466 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.376 7.443 -5.048 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.457 5.869 -4.300 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.914 5.909 -5.966 1.00 0.00 H new ATOM 373 N MET A 27 -11.501 2.548 -3.321 1.00 0.00 N ATOM 374 CA MET A 27 -11.092 1.901 -2.068 1.00 0.00 C ATOM 375 C MET A 27 -9.648 2.277 -1.706 1.00 0.00 C ATOM 376 O MET A 27 -8.739 2.146 -2.524 1.00 0.00 O ATOM 377 CB MET A 27 -11.229 0.375 -2.192 1.00 0.00 C ATOM 378 CG MET A 27 -11.060 -0.365 -0.871 1.00 0.00 C ATOM 379 SD MET A 27 -12.285 0.141 0.354 1.00 0.00 S ATOM 380 CE MET A 27 -11.878 -0.943 1.719 1.00 0.00 C ATOM 0 H MET A 27 -11.181 2.072 -4.164 1.00 0.00 H new ATOM 0 HA MET A 27 -11.746 2.252 -1.270 1.00 0.00 H new ATOM 0 HB2 MET A 27 -12.209 0.140 -2.607 1.00 0.00 H new ATOM 0 HB3 MET A 27 -10.486 0.009 -2.901 1.00 0.00 H new ATOM 0 HG2 MET A 27 -11.143 -1.438 -1.044 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.059 -0.182 -0.479 1.00 0.00 H new ATOM 0 HE1 MET A 27 -11.972 -0.397 2.658 1.00 0.00 H new ATOM 0 HE2 MET A 27 -12.560 -1.793 1.724 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.854 -1.300 1.607 1.00 0.00 H new ATOM 390 N ARG A 28 -9.443 2.729 -0.473 1.00 0.00 N ATOM 391 CA ARG A 28 -8.143 3.249 -0.042 1.00 0.00 C ATOM 392 C ARG A 28 -7.460 2.292 0.951 1.00 0.00 C ATOM 393 O ARG A 28 -8.059 1.879 1.945 1.00 0.00 O ATOM 394 CB ARG A 28 -8.339 4.631 0.598 1.00 0.00 C ATOM 395 CG ARG A 28 -7.080 5.492 0.630 1.00 0.00 C ATOM 396 CD ARG A 28 -7.359 6.866 1.238 1.00 0.00 C ATOM 397 NE ARG A 28 -6.321 7.843 0.916 1.00 0.00 N ATOM 398 CZ ARG A 28 -6.174 8.989 1.525 1.00 0.00 C ATOM 399 NH1 ARG A 28 -6.938 9.311 2.521 1.00 0.00 N ATOM 400 NH2 ARG A 28 -5.254 9.806 1.135 1.00 0.00 N ATOM 0 H ARG A 28 -10.162 2.747 0.251 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.494 3.336 -0.914 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.116 5.165 0.051 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.700 4.498 1.618 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.307 4.987 1.209 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.694 5.612 -0.382 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.321 7.231 0.877 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.440 6.771 2.321 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.668 7.615 0.166 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.663 8.667 2.837 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.814 10.209 2.989 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.646 9.555 0.355 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.135 10.702 1.607 1.00 0.00 H new ATOM 414 N LEU A 29 -6.207 1.942 0.672 1.00 0.00 N ATOM 415 CA LEU A 29 -5.431 1.052 1.543 1.00 0.00 C ATOM 416 C LEU A 29 -4.466 1.842 2.442 1.00 0.00 C ATOM 417 O LEU A 29 -3.904 2.860 2.036 1.00 0.00 O ATOM 418 CB LEU A 29 -4.640 0.033 0.708 1.00 0.00 C ATOM 419 CG LEU A 29 -5.485 -0.932 -0.142 1.00 0.00 C ATOM 420 CD1 LEU A 29 -4.583 -1.898 -0.907 1.00 0.00 C ATOM 421 CD2 LEU A 29 -6.482 -1.696 0.728 1.00 0.00 C ATOM 0 H LEU A 29 -5.702 2.261 -0.154 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.140 0.524 2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.967 0.578 0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.017 -0.556 1.381 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.052 -0.344 -0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.196 -2.574 -1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.920 -1.334 -1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.987 -2.476 -0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.067 -2.371 0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.942 -2.273 1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.149 -0.990 1.223 1.00 0.00 H new ATOM 433 N TYR A 30 -4.277 1.349 3.659 1.00 0.00 N ATOM 434 CA TYR A 30 -3.383 1.973 4.636 1.00 0.00 C ATOM 435 C TYR A 30 -2.117 1.128 4.844 1.00 0.00 C ATOM 436 O TYR A 30 -2.160 0.072 5.473 1.00 0.00 O ATOM 437 CB TYR A 30 -4.121 2.160 5.971 1.00 0.00 C ATOM 438 CG TYR A 30 -3.234 2.598 7.124 1.00 0.00 C ATOM 439 CD1 TYR A 30 -2.769 3.904 7.216 1.00 0.00 C ATOM 440 CD2 TYR A 30 -2.874 1.703 8.128 1.00 0.00 C ATOM 441 CE1 TYR A 30 -1.969 4.303 8.267 1.00 0.00 C ATOM 442 CE2 TYR A 30 -2.073 2.096 9.180 1.00 0.00 C ATOM 443 CZ TYR A 30 -1.627 3.397 9.247 1.00 0.00 C ATOM 444 OH TYR A 30 -0.833 3.795 10.300 1.00 0.00 O ATOM 0 H TYR A 30 -4.737 0.505 4.000 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.079 2.947 4.252 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.910 2.899 5.835 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -4.606 1.221 6.238 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.038 4.619 6.452 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.228 0.684 8.082 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.612 5.321 8.321 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.797 1.387 9.947 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.198 4.475 9.992 1.00 0.00 H new ATOM 454 N VAL A 31 -1.002 1.596 4.297 1.00 0.00 N ATOM 455 CA VAL A 31 0.296 0.935 4.469 1.00 0.00 C ATOM 456 C VAL A 31 1.126 1.640 5.556 1.00 0.00 C ATOM 457 O VAL A 31 1.760 2.664 5.298 1.00 0.00 O ATOM 458 CB VAL A 31 1.094 0.929 3.138 1.00 0.00 C ATOM 459 CG1 VAL A 31 2.412 0.169 3.288 1.00 0.00 C ATOM 460 CG2 VAL A 31 0.254 0.337 2.006 1.00 0.00 C ATOM 0 H VAL A 31 -0.966 2.439 3.724 1.00 0.00 H new ATOM 0 HA VAL A 31 0.104 -0.094 4.774 1.00 0.00 H new ATOM 0 HB VAL A 31 1.331 1.963 2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.949 0.182 2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.021 0.645 4.056 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.207 -0.862 3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.833 0.342 1.082 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.022 -0.688 2.255 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.648 0.934 1.872 1.00 0.00 H new ATOM 470 N GLY A 32 1.111 1.104 6.771 1.00 0.00 N ATOM 471 CA GLY A 32 1.804 1.757 7.878 1.00 0.00 C ATOM 472 C GLY A 32 2.943 0.929 8.464 1.00 0.00 C ATOM 473 O GLY A 32 2.739 0.162 9.408 1.00 0.00 O ATOM 0 H GLY A 32 0.636 0.235 7.014 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.201 2.712 7.533 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.084 1.977 8.666 1.00 0.00 H new ATOM 477 N SER A 33 4.143 1.094 7.903 1.00 0.00 N ATOM 478 CA SER A 33 5.355 0.418 8.404 1.00 0.00 C ATOM 479 C SER A 33 6.603 0.874 7.625 1.00 0.00 C ATOM 480 O SER A 33 7.586 0.137 7.507 1.00 0.00 O ATOM 481 CB SER A 33 5.211 -1.111 8.312 1.00 0.00 C ATOM 482 OG SER A 33 5.007 -1.542 6.973 1.00 0.00 O ATOM 0 H SER A 33 4.308 1.694 7.095 1.00 0.00 H new ATOM 0 HA SER A 33 5.476 0.695 9.451 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.106 -1.585 8.714 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.374 -1.435 8.930 1.00 0.00 H new ATOM 0 HG SER A 33 5.853 -1.870 6.602 1.00 0.00 H new ATOM 488 N LEU A 34 6.569 2.111 7.129 1.00 0.00 N ATOM 489 CA LEU A 34 7.639 2.645 6.271 1.00 0.00 C ATOM 490 C LEU A 34 8.775 3.266 7.108 1.00 0.00 C ATOM 491 O LEU A 34 8.530 4.099 7.981 1.00 0.00 O ATOM 492 CB LEU A 34 7.056 3.698 5.314 1.00 0.00 C ATOM 493 CG LEU A 34 5.777 3.271 4.565 1.00 0.00 C ATOM 494 CD1 LEU A 34 5.314 4.369 3.608 1.00 0.00 C ATOM 495 CD2 LEU A 34 5.990 1.952 3.820 1.00 0.00 C ATOM 0 H LEU A 34 5.810 2.769 7.305 1.00 0.00 H new ATOM 0 HA LEU A 34 8.060 1.819 5.697 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.839 4.602 5.883 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.818 3.959 4.579 1.00 0.00 H new ATOM 0 HG LEU A 34 4.992 3.114 5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.411 4.044 3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.103 5.278 4.172 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.098 4.569 2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.072 1.675 3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.796 2.070 3.095 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.254 1.170 4.532 1.00 0.00 H new ATOM 507 N HIS A 35 10.025 2.887 6.814 1.00 0.00 N ATOM 508 CA HIS A 35 11.176 3.328 7.625 1.00 0.00 C ATOM 509 C HIS A 35 11.677 4.731 7.212 1.00 0.00 C ATOM 510 O HIS A 35 12.799 4.894 6.737 1.00 0.00 O ATOM 511 CB HIS A 35 12.317 2.288 7.573 1.00 0.00 C ATOM 512 CG HIS A 35 12.964 2.115 6.225 1.00 0.00 C ATOM 513 ND1 HIS A 35 14.090 2.812 5.836 1.00 0.00 N ATOM 514 CD2 HIS A 35 12.647 1.318 5.175 1.00 0.00 C ATOM 515 CE1 HIS A 35 14.435 2.453 4.618 1.00 0.00 C ATOM 516 NE2 HIS A 35 13.580 1.549 4.194 1.00 0.00 N ATOM 0 H HIS A 35 10.268 2.282 6.030 1.00 0.00 H new ATOM 0 HA HIS A 35 10.833 3.406 8.657 1.00 0.00 H new ATOM 0 HB2 HIS A 35 13.084 2.577 8.292 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.924 1.324 7.896 1.00 0.00 H new ATOM 0 HD1 HIS A 35 14.580 3.501 6.406 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.816 0.630 5.120 1.00 0.00 H new ATOM 0 HE1 HIS A 35 15.277 2.836 4.061 1.00 0.00 H new ATOM 525 N PHE A 36 10.815 5.737 7.379 1.00 0.00 N ATOM 526 CA PHE A 36 11.146 7.150 7.086 1.00 0.00 C ATOM 527 C PHE A 36 11.653 7.390 5.646 1.00 0.00 C ATOM 528 O PHE A 36 12.097 8.494 5.328 1.00 0.00 O ATOM 529 CB PHE A 36 12.193 7.686 8.079 1.00 0.00 C ATOM 530 CG PHE A 36 11.691 7.845 9.494 1.00 0.00 C ATOM 531 CD1 PHE A 36 10.549 8.588 9.762 1.00 0.00 C ATOM 532 CD2 PHE A 36 12.368 7.259 10.556 1.00 0.00 C ATOM 533 CE1 PHE A 36 10.091 8.739 11.058 1.00 0.00 C ATOM 534 CE2 PHE A 36 11.913 7.410 11.852 1.00 0.00 C ATOM 535 CZ PHE A 36 10.773 8.150 12.103 1.00 0.00 C ATOM 0 H PHE A 36 9.864 5.603 7.722 1.00 0.00 H new ATOM 0 HA PHE A 36 10.205 7.690 7.192 1.00 0.00 H new ATOM 0 HB2 PHE A 36 13.049 7.011 8.084 1.00 0.00 H new ATOM 0 HB3 PHE A 36 12.551 8.652 7.723 1.00 0.00 H new ATOM 0 HD1 PHE A 36 10.012 9.053 8.949 1.00 0.00 H new ATOM 0 HD2 PHE A 36 13.259 6.679 10.367 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.200 9.318 11.252 1.00 0.00 H new ATOM 0 HE2 PHE A 36 12.448 6.950 12.669 1.00 0.00 H new ATOM 0 HZ PHE A 36 10.416 8.267 13.116 1.00 0.00 H new ATOM 545 N ASN A 37 11.573 6.383 4.775 1.00 0.00 N ATOM 546 CA ASN A 37 12.045 6.538 3.396 1.00 0.00 C ATOM 547 C ASN A 37 11.503 5.434 2.473 1.00 0.00 C ATOM 548 O ASN A 37 12.237 4.543 2.048 1.00 0.00 O ATOM 549 CB ASN A 37 13.582 6.562 3.353 1.00 0.00 C ATOM 550 CG ASN A 37 14.120 7.005 2.002 1.00 0.00 C ATOM 551 OD1 ASN A 37 14.342 8.190 1.767 1.00 0.00 O ATOM 552 ND2 ASN A 37 14.339 6.064 1.106 1.00 0.00 N ATOM 0 H ASN A 37 11.191 5.463 4.994 1.00 0.00 H new ATOM 0 HA ASN A 37 11.662 7.490 3.028 1.00 0.00 H new ATOM 0 HB2 ASN A 37 13.953 7.234 4.126 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.964 5.568 3.584 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.703 6.311 0.186 1.00 0.00 H new ATOM 0 HD22 ASN A 37 14.144 5.089 1.333 1.00 0.00 H new ATOM 559 N ILE A 38 10.200 5.475 2.213 1.00 0.00 N ATOM 560 CA ILE A 38 9.574 4.632 1.184 1.00 0.00 C ATOM 561 C ILE A 38 8.689 5.502 0.278 1.00 0.00 C ATOM 562 O ILE A 38 7.736 6.127 0.745 1.00 0.00 O ATOM 563 CB ILE A 38 8.725 3.488 1.805 1.00 0.00 C ATOM 564 CG1 ILE A 38 9.596 2.560 2.675 1.00 0.00 C ATOM 565 CG2 ILE A 38 8.022 2.686 0.709 1.00 0.00 C ATOM 566 CD1 ILE A 38 10.649 1.791 1.898 1.00 0.00 C ATOM 0 H ILE A 38 9.547 6.087 2.702 1.00 0.00 H new ATOM 0 HA ILE A 38 10.371 4.170 0.601 1.00 0.00 H new ATOM 0 HB ILE A 38 7.969 3.941 2.446 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.089 3.157 3.442 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.949 1.850 3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.432 1.889 1.163 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.366 3.345 0.140 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.766 2.252 0.042 1.00 0.00 H new ATOM 0 HD11 ILE A 38 11.219 1.162 2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.164 1.166 1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.322 2.493 1.405 1.00 0.00 H new ATOM 578 N THR A 39 9.016 5.547 -1.013 1.00 0.00 N ATOM 579 CA THR A 39 8.353 6.471 -1.947 1.00 0.00 C ATOM 580 C THR A 39 7.128 5.844 -2.620 1.00 0.00 C ATOM 581 O THR A 39 6.960 4.622 -2.635 1.00 0.00 O ATOM 582 CB THR A 39 9.315 6.946 -3.064 1.00 0.00 C ATOM 583 OG1 THR A 39 9.500 5.902 -4.033 1.00 0.00 O ATOM 584 CG2 THR A 39 10.666 7.361 -2.490 1.00 0.00 C ATOM 0 H THR A 39 9.732 4.959 -1.440 1.00 0.00 H new ATOM 0 HA THR A 39 8.038 7.318 -1.337 1.00 0.00 H new ATOM 0 HB THR A 39 8.866 7.814 -3.546 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.286 5.369 -3.793 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.319 7.689 -3.298 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.525 8.178 -1.782 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.120 6.512 -1.978 1.00 0.00 H new ATOM 592 N GLU A 40 6.287 6.700 -3.199 1.00 0.00 N ATOM 593 CA GLU A 40 5.092 6.256 -3.924 1.00 0.00 C ATOM 594 C GLU A 40 5.455 5.364 -5.123 1.00 0.00 C ATOM 595 O GLU A 40 4.687 4.482 -5.510 1.00 0.00 O ATOM 596 CB GLU A 40 4.296 7.472 -4.420 1.00 0.00 C ATOM 597 CG GLU A 40 3.908 8.458 -3.320 1.00 0.00 C ATOM 598 CD GLU A 40 3.032 9.598 -3.819 1.00 0.00 C ATOM 599 OE1 GLU A 40 3.156 9.980 -5.007 1.00 0.00 O ATOM 600 OE2 GLU A 40 2.217 10.116 -3.030 1.00 0.00 O ATOM 0 H GLU A 40 6.411 7.712 -3.181 1.00 0.00 H new ATOM 0 HA GLU A 40 4.486 5.671 -3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.887 7.997 -5.171 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.390 7.122 -4.915 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.381 7.922 -2.530 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.813 8.872 -2.876 1.00 0.00 H new ATOM 607 N ASP A 41 6.629 5.600 -5.707 1.00 0.00 N ATOM 608 CA ASP A 41 7.070 4.858 -6.893 1.00 0.00 C ATOM 609 C ASP A 41 7.321 3.376 -6.566 1.00 0.00 C ATOM 610 O ASP A 41 6.854 2.485 -7.284 1.00 0.00 O ATOM 611 CB ASP A 41 8.335 5.501 -7.478 1.00 0.00 C ATOM 612 CG ASP A 41 8.641 4.995 -8.878 1.00 0.00 C ATOM 613 OD1 ASP A 41 8.060 5.535 -9.846 1.00 0.00 O ATOM 614 OD2 ASP A 41 9.448 4.055 -9.019 1.00 0.00 O ATOM 0 H ASP A 41 7.295 6.300 -5.379 1.00 0.00 H new ATOM 0 HA ASP A 41 6.273 4.903 -7.636 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.212 6.584 -7.504 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.182 5.292 -6.825 1.00 0.00 H new ATOM 619 N MET A 42 8.051 3.113 -5.477 1.00 0.00 N ATOM 620 CA MET A 42 8.304 1.735 -5.040 1.00 0.00 C ATOM 621 C MET A 42 6.990 1.022 -4.696 1.00 0.00 C ATOM 622 O MET A 42 6.735 -0.098 -5.148 1.00 0.00 O ATOM 623 CB MET A 42 9.245 1.707 -3.825 1.00 0.00 C ATOM 624 CG MET A 42 10.691 2.069 -4.146 1.00 0.00 C ATOM 625 SD MET A 42 10.877 3.740 -4.799 1.00 0.00 S ATOM 626 CE MET A 42 12.648 3.815 -5.057 1.00 0.00 C ATOM 0 H MET A 42 8.474 3.829 -4.886 1.00 0.00 H new ATOM 0 HA MET A 42 8.784 1.210 -5.866 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.868 2.398 -3.071 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.221 0.711 -3.384 1.00 0.00 H new ATOM 0 HG2 MET A 42 11.293 1.970 -3.243 1.00 0.00 H new ATOM 0 HG3 MET A 42 11.085 1.357 -4.871 1.00 0.00 H new ATOM 0 HE1 MET A 42 12.916 4.792 -5.459 1.00 0.00 H new ATOM 0 HE2 MET A 42 13.161 3.660 -4.108 1.00 0.00 H new ATOM 0 HE3 MET A 42 12.946 3.038 -5.761 1.00 0.00 H new ATOM 636 N LEU A 43 6.158 1.696 -3.903 1.00 0.00 N ATOM 637 CA LEU A 43 4.836 1.181 -3.529 1.00 0.00 C ATOM 638 C LEU A 43 4.005 0.825 -4.769 1.00 0.00 C ATOM 639 O LEU A 43 3.468 -0.275 -4.871 1.00 0.00 O ATOM 640 CB LEU A 43 4.096 2.225 -2.685 1.00 0.00 C ATOM 641 CG LEU A 43 4.746 2.542 -1.330 1.00 0.00 C ATOM 642 CD1 LEU A 43 4.112 3.778 -0.706 1.00 0.00 C ATOM 643 CD2 LEU A 43 4.635 1.345 -0.387 1.00 0.00 C ATOM 0 H LEU A 43 6.377 2.608 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 43 4.976 0.271 -2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.021 3.148 -3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.079 1.874 -2.510 1.00 0.00 H new ATOM 0 HG LEU A 43 5.803 2.748 -1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.587 3.985 0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.248 4.631 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.047 3.603 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.101 1.589 0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.584 1.104 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.140 0.486 -0.828 1.00 0.00 H new ATOM 655 N ARG A 44 3.915 1.761 -5.714 1.00 0.00 N ATOM 656 CA ARG A 44 3.179 1.532 -6.962 1.00 0.00 C ATOM 657 C ARG A 44 3.651 0.246 -7.646 1.00 0.00 C ATOM 658 O ARG A 44 2.851 -0.632 -7.956 1.00 0.00 O ATOM 659 CB ARG A 44 3.376 2.711 -7.920 1.00 0.00 C ATOM 660 CG ARG A 44 2.412 2.714 -9.102 1.00 0.00 C ATOM 661 CD ARG A 44 2.834 3.709 -10.176 1.00 0.00 C ATOM 662 NE ARG A 44 3.942 3.185 -10.970 1.00 0.00 N ATOM 663 CZ ARG A 44 5.151 3.668 -10.979 1.00 0.00 C ATOM 664 NH1 ARG A 44 5.462 4.700 -10.261 1.00 0.00 N ATOM 665 NH2 ARG A 44 6.055 3.107 -11.712 1.00 0.00 N ATOM 0 H ARG A 44 4.341 2.685 -5.641 1.00 0.00 H new ATOM 0 HA ARG A 44 2.122 1.435 -6.713 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.258 3.641 -7.365 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.398 2.693 -8.297 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.362 1.714 -9.533 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.409 2.960 -8.752 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.987 3.928 -10.827 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.129 4.649 -9.710 1.00 0.00 H new ATOM 0 HE ARG A 44 3.754 2.377 -11.564 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.755 5.147 -9.677 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.414 5.066 -10.279 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.819 2.292 -12.278 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.005 3.479 -11.725 1.00 0.00 H new ATOM 679 N GLY A 45 4.964 0.139 -7.852 1.00 0.00 N ATOM 680 CA GLY A 45 5.537 -1.035 -8.502 1.00 0.00 C ATOM 681 C GLY A 45 5.160 -2.355 -7.830 1.00 0.00 C ATOM 682 O GLY A 45 5.055 -3.389 -8.494 1.00 0.00 O ATOM 0 H GLY A 45 5.645 0.847 -7.579 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.209 -1.060 -9.541 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.623 -0.940 -8.512 1.00 0.00 H new ATOM 686 N ILE A 46 4.959 -2.326 -6.513 1.00 0.00 N ATOM 687 CA ILE A 46 4.554 -3.522 -5.765 1.00 0.00 C ATOM 688 C ILE A 46 3.042 -3.801 -5.904 1.00 0.00 C ATOM 689 O ILE A 46 2.625 -4.946 -6.085 1.00 0.00 O ATOM 690 CB ILE A 46 4.913 -3.384 -4.263 1.00 0.00 C ATOM 691 CG1 ILE A 46 6.426 -3.159 -4.093 1.00 0.00 C ATOM 692 CG2 ILE A 46 4.457 -4.615 -3.478 1.00 0.00 C ATOM 693 CD1 ILE A 46 6.857 -2.933 -2.657 1.00 0.00 C ATOM 0 H ILE A 46 5.069 -1.489 -5.940 1.00 0.00 H new ATOM 0 HA ILE A 46 5.102 -4.361 -6.193 1.00 0.00 H new ATOM 0 HB ILE A 46 4.387 -2.517 -3.863 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.959 -4.023 -4.490 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.725 -2.298 -4.691 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.720 -4.494 -2.427 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.377 -4.726 -3.571 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.949 -5.503 -3.876 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.936 -2.782 -2.620 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.354 -2.051 -2.261 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.591 -3.803 -2.056 1.00 0.00 H new ATOM 705 N PHE A 47 2.231 -2.745 -5.841 1.00 0.00 N ATOM 706 CA PHE A 47 0.764 -2.882 -5.851 1.00 0.00 C ATOM 707 C PHE A 47 0.175 -3.034 -7.272 1.00 0.00 C ATOM 708 O PHE A 47 -0.897 -3.621 -7.441 1.00 0.00 O ATOM 709 CB PHE A 47 0.116 -1.680 -5.145 1.00 0.00 C ATOM 710 CG PHE A 47 0.269 -1.689 -3.636 1.00 0.00 C ATOM 711 CD1 PHE A 47 1.516 -1.542 -3.045 1.00 0.00 C ATOM 712 CD2 PHE A 47 -0.840 -1.831 -2.812 1.00 0.00 C ATOM 713 CE1 PHE A 47 1.656 -1.538 -1.669 1.00 0.00 C ATOM 714 CE2 PHE A 47 -0.706 -1.830 -1.435 1.00 0.00 C ATOM 715 CZ PHE A 47 0.542 -1.682 -0.863 1.00 0.00 C ATOM 0 H PHE A 47 2.560 -1.781 -5.782 1.00 0.00 H new ATOM 0 HA PHE A 47 0.535 -3.802 -5.314 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.554 -0.763 -5.538 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.946 -1.657 -5.391 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.390 -1.429 -3.669 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.820 -1.944 -3.252 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.634 -1.423 -1.225 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.577 -1.945 -0.808 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.648 -1.679 0.212 1.00 0.00 H new ATOM 725 N GLU A 48 0.866 -2.513 -8.288 1.00 0.00 N ATOM 726 CA GLU A 48 0.373 -2.577 -9.678 1.00 0.00 C ATOM 727 C GLU A 48 0.045 -4.015 -10.152 1.00 0.00 C ATOM 728 O GLU A 48 -1.013 -4.233 -10.743 1.00 0.00 O ATOM 729 CB GLU A 48 1.366 -1.918 -10.653 1.00 0.00 C ATOM 730 CG GLU A 48 1.351 -0.395 -10.629 1.00 0.00 C ATOM 731 CD GLU A 48 2.115 0.218 -11.792 1.00 0.00 C ATOM 732 OE1 GLU A 48 1.500 0.428 -12.859 1.00 0.00 O ATOM 733 OE2 GLU A 48 3.327 0.486 -11.652 1.00 0.00 O ATOM 0 H GLU A 48 1.765 -2.043 -8.182 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.563 -2.019 -9.681 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.372 -2.264 -10.417 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.142 -2.256 -11.665 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.319 -0.046 -10.653 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.784 -0.046 -9.691 1.00 0.00 H new ATOM 740 N PRO A 49 0.940 -5.014 -9.930 1.00 0.00 N ATOM 741 CA PRO A 49 0.692 -6.420 -10.342 1.00 0.00 C ATOM 742 C PRO A 49 -0.689 -6.980 -9.929 1.00 0.00 C ATOM 743 O PRO A 49 -1.172 -7.953 -10.511 1.00 0.00 O ATOM 744 CB PRO A 49 1.815 -7.187 -9.633 1.00 0.00 C ATOM 745 CG PRO A 49 2.929 -6.202 -9.543 1.00 0.00 C ATOM 746 CD PRO A 49 2.275 -4.866 -9.303 1.00 0.00 C ATOM 0 HA PRO A 49 0.685 -6.511 -11.428 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.503 -7.527 -8.645 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.110 -8.072 -10.196 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.611 -6.455 -8.731 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.517 -6.191 -10.461 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.196 -4.644 -8.239 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.843 -4.054 -9.757 1.00 0.00 H new ATOM 754 N PHE A 50 -1.324 -6.371 -8.929 1.00 0.00 N ATOM 755 CA PHE A 50 -2.649 -6.818 -8.475 1.00 0.00 C ATOM 756 C PHE A 50 -3.766 -6.251 -9.362 1.00 0.00 C ATOM 757 O PHE A 50 -4.751 -6.934 -9.656 1.00 0.00 O ATOM 758 CB PHE A 50 -2.872 -6.414 -7.013 1.00 0.00 C ATOM 759 CG PHE A 50 -1.874 -7.045 -6.072 1.00 0.00 C ATOM 760 CD1 PHE A 50 -2.100 -8.310 -5.548 1.00 0.00 C ATOM 761 CD2 PHE A 50 -0.705 -6.383 -5.727 1.00 0.00 C ATOM 762 CE1 PHE A 50 -1.184 -8.898 -4.699 1.00 0.00 C ATOM 763 CE2 PHE A 50 0.214 -6.968 -4.880 1.00 0.00 C ATOM 764 CZ PHE A 50 -0.026 -8.227 -4.364 1.00 0.00 C ATOM 0 H PHE A 50 -0.949 -5.572 -8.418 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.682 -7.905 -8.553 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.810 -5.329 -6.927 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.880 -6.700 -6.712 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.004 -8.841 -5.808 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.512 -5.398 -6.126 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.374 -9.882 -4.297 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.121 -6.442 -4.620 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.692 -8.685 -3.700 1.00 0.00 H new ATOM 774 N GLY A 51 -3.604 -5.001 -9.781 1.00 0.00 N ATOM 775 CA GLY A 51 -4.556 -4.364 -10.684 1.00 0.00 C ATOM 776 C GLY A 51 -3.965 -3.124 -11.341 1.00 0.00 C ATOM 777 O GLY A 51 -3.214 -3.226 -12.313 1.00 0.00 O ATOM 0 H GLY A 51 -2.820 -4.407 -9.509 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.859 -5.074 -11.453 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.455 -4.090 -10.131 1.00 0.00 H new ATOM 781 N ARG A 52 -4.308 -1.955 -10.814 1.00 0.00 N ATOM 782 CA ARG A 52 -3.668 -0.703 -11.221 1.00 0.00 C ATOM 783 C ARG A 52 -3.938 0.392 -10.179 1.00 0.00 C ATOM 784 O ARG A 52 -4.944 0.351 -9.467 1.00 0.00 O ATOM 785 CB ARG A 52 -4.165 -0.239 -12.603 1.00 0.00 C ATOM 786 CG ARG A 52 -3.107 0.526 -13.405 1.00 0.00 C ATOM 787 CD ARG A 52 -3.718 1.611 -14.284 1.00 0.00 C ATOM 788 NE ARG A 52 -4.178 2.753 -13.493 1.00 0.00 N ATOM 789 CZ ARG A 52 -4.755 3.808 -13.994 1.00 0.00 C ATOM 790 NH1 ARG A 52 -4.985 3.894 -15.263 1.00 0.00 N ATOM 791 NH2 ARG A 52 -5.098 4.779 -13.216 1.00 0.00 N ATOM 0 H ARG A 52 -5.029 -1.844 -10.101 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.596 -0.885 -11.289 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.486 -1.109 -13.176 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.040 0.397 -12.471 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.391 0.978 -12.719 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.552 -0.174 -14.029 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.981 1.947 -15.013 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.555 1.196 -14.845 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.038 2.721 -12.483 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.714 3.131 -15.883 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.437 4.725 -15.644 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.917 4.718 -12.214 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.550 5.607 -13.603 1.00 0.00 H new ATOM 805 N ILE A 53 -3.044 1.370 -10.094 1.00 0.00 N ATOM 806 CA ILE A 53 -3.182 2.463 -9.125 1.00 0.00 C ATOM 807 C ILE A 53 -4.095 3.588 -9.650 1.00 0.00 C ATOM 808 O ILE A 53 -4.055 3.943 -10.831 1.00 0.00 O ATOM 809 CB ILE A 53 -1.788 3.044 -8.738 1.00 0.00 C ATOM 810 CG1 ILE A 53 -1.108 2.172 -7.658 1.00 0.00 C ATOM 811 CG2 ILE A 53 -1.899 4.495 -8.268 1.00 0.00 C ATOM 812 CD1 ILE A 53 -0.863 0.733 -8.070 1.00 0.00 C ATOM 0 H ILE A 53 -2.213 1.433 -10.683 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.649 2.040 -8.236 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.166 3.030 -9.633 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.154 2.627 -7.390 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.728 2.179 -6.761 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.909 4.869 -8.006 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.318 5.106 -9.068 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.549 4.546 -7.395 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.383 0.197 -7.251 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.814 0.256 -8.308 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.216 0.711 -8.947 1.00 0.00 H new ATOM 824 N GLU A 54 -4.929 4.131 -8.759 1.00 0.00 N ATOM 825 CA GLU A 54 -5.774 5.288 -9.079 1.00 0.00 C ATOM 826 C GLU A 54 -5.079 6.578 -8.610 1.00 0.00 C ATOM 827 O GLU A 54 -4.761 7.456 -9.416 1.00 0.00 O ATOM 828 CB GLU A 54 -7.153 5.114 -8.411 1.00 0.00 C ATOM 829 CG GLU A 54 -8.259 6.040 -8.930 1.00 0.00 C ATOM 830 CD GLU A 54 -8.104 7.492 -8.499 1.00 0.00 C ATOM 831 OE1 GLU A 54 -7.936 7.741 -7.291 1.00 0.00 O ATOM 832 OE2 GLU A 54 -8.172 8.387 -9.368 1.00 0.00 O ATOM 0 H GLU A 54 -5.038 3.787 -7.805 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.924 5.358 -10.156 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.475 4.081 -8.546 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.041 5.276 -7.339 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.275 5.995 -10.019 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.223 5.669 -8.581 1.00 0.00 H new ATOM 839 N SER A 55 -4.825 6.671 -7.301 1.00 0.00 N ATOM 840 CA SER A 55 -4.078 7.803 -6.724 1.00 0.00 C ATOM 841 C SER A 55 -3.312 7.379 -5.461 1.00 0.00 C ATOM 842 O SER A 55 -3.895 6.822 -4.530 1.00 0.00 O ATOM 843 CB SER A 55 -5.019 8.967 -6.384 1.00 0.00 C ATOM 844 OG SER A 55 -4.307 10.054 -5.798 1.00 0.00 O ATOM 0 H SER A 55 -5.125 5.977 -6.616 1.00 0.00 H new ATOM 0 HA SER A 55 -3.361 8.132 -7.476 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.524 9.306 -7.289 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.792 8.624 -5.697 1.00 0.00 H new ATOM 0 HG SER A 55 -4.931 10.781 -5.593 1.00 0.00 H new ATOM 850 N ILE A 56 -2.004 7.646 -5.427 1.00 0.00 N ATOM 851 CA ILE A 56 -1.168 7.306 -4.260 1.00 0.00 C ATOM 852 C ILE A 56 -0.932 8.535 -3.365 1.00 0.00 C ATOM 853 O ILE A 56 -0.933 9.669 -3.839 1.00 0.00 O ATOM 854 CB ILE A 56 0.210 6.729 -4.689 1.00 0.00 C ATOM 855 CG1 ILE A 56 0.020 5.537 -5.637 1.00 0.00 C ATOM 856 CG2 ILE A 56 1.026 6.308 -3.467 1.00 0.00 C ATOM 857 CD1 ILE A 56 1.318 4.940 -6.145 1.00 0.00 C ATOM 0 H ILE A 56 -1.497 8.095 -6.189 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.714 6.547 -3.700 1.00 0.00 H new ATOM 0 HB ILE A 56 0.757 7.511 -5.215 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.547 4.762 -5.121 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.579 5.856 -6.490 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.986 5.907 -3.791 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.192 7.173 -2.825 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.482 5.543 -2.912 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.099 4.103 -6.808 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.878 5.699 -6.691 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.911 4.588 -5.301 1.00 0.00 H new ATOM 869 N GLN A 57 -0.757 8.303 -2.066 1.00 0.00 N ATOM 870 CA GLN A 57 -0.451 9.379 -1.119 1.00 0.00 C ATOM 871 C GLN A 57 0.396 8.853 0.042 1.00 0.00 C ATOM 872 O GLN A 57 0.112 7.797 0.595 1.00 0.00 O ATOM 873 CB GLN A 57 -1.756 9.992 -0.586 1.00 0.00 C ATOM 874 CG GLN A 57 -1.578 11.153 0.397 1.00 0.00 C ATOM 875 CD GLN A 57 -0.739 12.294 -0.163 1.00 0.00 C ATOM 876 OE1 GLN A 57 -1.243 13.169 -0.858 1.00 0.00 O ATOM 877 NE2 GLN A 57 0.534 12.324 0.179 1.00 0.00 N ATOM 0 H GLN A 57 -0.822 7.378 -1.642 1.00 0.00 H new ATOM 0 HA GLN A 57 0.120 10.148 -1.639 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.347 10.341 -1.433 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -2.333 9.208 -0.096 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.559 11.536 0.677 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -1.110 10.780 1.308 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.924 11.581 0.759 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.129 13.090 -0.136 1.00 0.00 H new ATOM 886 N LEU A 58 1.438 9.587 0.405 1.00 0.00 N ATOM 887 CA LEU A 58 2.241 9.247 1.587 1.00 0.00 C ATOM 888 C LEU A 58 1.792 10.072 2.796 1.00 0.00 C ATOM 889 O LEU A 58 1.451 11.248 2.664 1.00 0.00 O ATOM 890 CB LEU A 58 3.734 9.498 1.323 1.00 0.00 C ATOM 891 CG LEU A 58 4.373 8.616 0.240 1.00 0.00 C ATOM 892 CD1 LEU A 58 5.838 8.994 0.024 1.00 0.00 C ATOM 893 CD2 LEU A 58 4.244 7.136 0.602 1.00 0.00 C ATOM 0 H LEU A 58 1.752 10.419 -0.094 1.00 0.00 H new ATOM 0 HA LEU A 58 2.092 8.188 1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.864 10.542 1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.279 9.351 2.255 1.00 0.00 H new ATOM 0 HG LEU A 58 3.838 8.787 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.269 8.356 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.902 10.036 -0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.389 8.860 0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.703 6.529 -0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.747 6.948 1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.190 6.874 0.692 1.00 0.00 H new ATOM 905 N MET A 59 1.798 9.457 3.973 1.00 0.00 N ATOM 906 CA MET A 59 1.403 10.143 5.202 1.00 0.00 C ATOM 907 C MET A 59 2.641 10.725 5.892 1.00 0.00 C ATOM 908 O MET A 59 3.318 10.049 6.671 1.00 0.00 O ATOM 909 CB MET A 59 0.659 9.179 6.138 1.00 0.00 C ATOM 910 CG MET A 59 0.089 9.837 7.387 1.00 0.00 C ATOM 911 SD MET A 59 -1.064 11.167 6.995 1.00 0.00 S ATOM 912 CE MET A 59 -1.654 11.599 8.629 1.00 0.00 C ATOM 0 H MET A 59 2.072 8.483 4.104 1.00 0.00 H new ATOM 0 HA MET A 59 0.726 10.960 4.952 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.154 8.709 5.585 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.341 8.384 6.439 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.419 9.085 7.991 1.00 0.00 H new ATOM 0 HG3 MET A 59 0.905 10.233 7.991 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.377 12.411 8.552 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.130 10.731 9.085 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.814 11.919 9.246 1.00 0.00 H new ATOM 1033 N LYS A 68 5.573 10.048 8.391 1.00 0.00 N ATOM 1034 CA LYS A 68 5.157 9.484 9.678 1.00 0.00 C ATOM 1035 C LYS A 68 5.308 7.951 9.668 1.00 0.00 C ATOM 1036 O LYS A 68 5.058 7.282 10.671 1.00 0.00 O ATOM 1037 CB LYS A 68 3.698 9.867 9.979 1.00 0.00 C ATOM 1038 CG LYS A 68 3.499 11.337 10.344 1.00 0.00 C ATOM 1039 CD LYS A 68 2.017 11.701 10.467 1.00 0.00 C ATOM 1040 CE LYS A 68 1.261 10.769 11.415 1.00 0.00 C ATOM 1041 NZ LYS A 68 1.825 10.772 12.792 1.00 0.00 N ATOM 0 HA LYS A 68 5.799 9.893 10.458 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.086 9.635 9.108 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.333 9.248 10.799 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.004 11.548 11.287 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.965 11.965 9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.927 12.727 10.823 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.554 11.664 9.481 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.214 11.069 11.455 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.287 9.754 11.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.256 10.151 13.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.806 10.428 12.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.808 11.740 13.172 1.00 0.00 H new ATOM 1055 N GLY A 69 5.726 7.408 8.522 1.00 0.00 N ATOM 1056 CA GLY A 69 5.901 5.965 8.377 1.00 0.00 C ATOM 1057 C GLY A 69 4.683 5.254 7.792 1.00 0.00 C ATOM 1058 O GLY A 69 4.580 4.028 7.864 1.00 0.00 O ATOM 0 H GLY A 69 5.948 7.946 7.684 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.763 5.775 7.738 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.127 5.536 9.353 1.00 0.00 H new ATOM 1062 N TYR A 70 3.761 6.017 7.202 1.00 0.00 N ATOM 1063 CA TYR A 70 2.525 5.444 6.640 1.00 0.00 C ATOM 1064 C TYR A 70 2.273 5.941 5.205 1.00 0.00 C ATOM 1065 O TYR A 70 2.819 6.962 4.784 1.00 0.00 O ATOM 1066 CB TYR A 70 1.311 5.806 7.514 1.00 0.00 C ATOM 1067 CG TYR A 70 1.597 5.873 9.007 1.00 0.00 C ATOM 1068 CD1 TYR A 70 1.897 4.731 9.740 1.00 0.00 C ATOM 1069 CD2 TYR A 70 1.552 7.087 9.681 1.00 0.00 C ATOM 1070 CE1 TYR A 70 2.143 4.798 11.099 1.00 0.00 C ATOM 1071 CE2 TYR A 70 1.800 7.161 11.036 1.00 0.00 C ATOM 1072 CZ TYR A 70 2.092 6.018 11.741 1.00 0.00 C ATOM 1073 OH TYR A 70 2.328 6.098 13.096 1.00 0.00 O ATOM 0 H TYR A 70 3.841 7.029 7.099 1.00 0.00 H new ATOM 0 HA TYR A 70 2.655 4.362 6.621 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.922 6.771 7.189 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.525 5.071 7.342 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.939 3.775 9.240 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.319 7.989 9.134 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.374 3.901 11.654 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.765 8.115 11.542 1.00 0.00 H new ATOM 0 HH TYR A 70 2.254 7.031 13.386 1.00 0.00 H new ATOM 1083 N GLY A 71 1.437 5.216 4.463 1.00 0.00 N ATOM 1084 CA GLY A 71 1.066 5.627 3.112 1.00 0.00 C ATOM 1085 C GLY A 71 -0.336 5.160 2.711 1.00 0.00 C ATOM 1086 O GLY A 71 -0.708 4.016 2.958 1.00 0.00 O ATOM 0 H GLY A 71 1.006 4.345 4.774 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.115 6.714 3.042 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.793 5.228 2.404 1.00 0.00 H new ATOM 1090 N PHE A 72 -1.116 6.045 2.095 1.00 0.00 N ATOM 1091 CA PHE A 72 -2.479 5.717 1.650 1.00 0.00 C ATOM 1092 C PHE A 72 -2.555 5.570 0.119 1.00 0.00 C ATOM 1093 O PHE A 72 -2.363 6.539 -0.622 1.00 0.00 O ATOM 1094 CB PHE A 72 -3.463 6.803 2.106 1.00 0.00 C ATOM 1095 CG PHE A 72 -3.633 6.904 3.602 1.00 0.00 C ATOM 1096 CD1 PHE A 72 -2.788 7.704 4.363 1.00 0.00 C ATOM 1097 CD2 PHE A 72 -4.648 6.206 4.247 1.00 0.00 C ATOM 1098 CE1 PHE A 72 -2.951 7.803 5.731 1.00 0.00 C ATOM 1099 CE2 PHE A 72 -4.812 6.303 5.616 1.00 0.00 C ATOM 1100 CZ PHE A 72 -3.964 7.103 6.358 1.00 0.00 C ATOM 0 H PHE A 72 -0.830 7.002 1.889 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.749 4.762 2.101 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.123 7.766 1.726 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.436 6.607 1.655 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.995 8.254 3.879 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.315 5.581 3.672 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.287 8.427 6.310 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.603 5.754 6.106 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.093 7.181 7.427 1.00 0.00 H new ATOM 1110 N ILE A 73 -2.854 4.363 -0.356 1.00 0.00 N ATOM 1111 CA ILE A 73 -2.957 4.102 -1.801 1.00 0.00 C ATOM 1112 C ILE A 73 -4.408 3.813 -2.215 1.00 0.00 C ATOM 1113 O ILE A 73 -5.045 2.903 -1.688 1.00 0.00 O ATOM 1114 CB ILE A 73 -2.056 2.914 -2.222 1.00 0.00 C ATOM 1115 CG1 ILE A 73 -0.611 3.157 -1.763 1.00 0.00 C ATOM 1116 CG2 ILE A 73 -2.112 2.704 -3.737 1.00 0.00 C ATOM 1117 CD1 ILE A 73 0.329 1.999 -2.031 1.00 0.00 C ATOM 0 H ILE A 73 -3.030 3.548 0.232 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.617 5.003 -2.311 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.427 2.009 -1.741 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.227 4.046 -2.264 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.612 3.370 -0.694 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.472 1.865 -4.012 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.138 2.492 -4.037 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.765 3.605 -4.242 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.328 2.252 -1.677 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.028 1.112 -1.507 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.363 1.799 -3.102 1.00 0.00 H new ATOM 1129 N THR A 74 -4.917 4.590 -3.167 1.00 0.00 N ATOM 1130 CA THR A 74 -6.317 4.472 -3.615 1.00 0.00 C ATOM 1131 C THR A 74 -6.443 3.666 -4.923 1.00 0.00 C ATOM 1132 O THR A 74 -5.720 3.917 -5.893 1.00 0.00 O ATOM 1133 CB THR A 74 -6.961 5.872 -3.823 1.00 0.00 C ATOM 1134 OG1 THR A 74 -6.874 6.645 -2.612 1.00 0.00 O ATOM 1135 CG2 THR A 74 -8.425 5.751 -4.244 1.00 0.00 C ATOM 0 H THR A 74 -4.385 5.314 -3.650 1.00 0.00 H new ATOM 0 HA THR A 74 -6.845 3.939 -2.825 1.00 0.00 H new ATOM 0 HB THR A 74 -6.411 6.375 -4.619 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.281 7.525 -2.756 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.847 6.746 -4.382 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.490 5.197 -5.180 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.984 5.224 -3.471 1.00 0.00 H new ATOM 1143 N PHE A 75 -7.364 2.698 -4.936 1.00 0.00 N ATOM 1144 CA PHE A 75 -7.645 1.874 -6.127 1.00 0.00 C ATOM 1145 C PHE A 75 -9.088 2.077 -6.620 1.00 0.00 C ATOM 1146 O PHE A 75 -9.989 2.379 -5.832 1.00 0.00 O ATOM 1147 CB PHE A 75 -7.429 0.385 -5.816 1.00 0.00 C ATOM 1148 CG PHE A 75 -6.001 0.024 -5.486 1.00 0.00 C ATOM 1149 CD1 PHE A 75 -5.498 0.235 -4.210 1.00 0.00 C ATOM 1150 CD2 PHE A 75 -5.164 -0.525 -6.449 1.00 0.00 C ATOM 1151 CE1 PHE A 75 -4.194 -0.091 -3.903 1.00 0.00 C ATOM 1152 CE2 PHE A 75 -3.857 -0.852 -6.144 1.00 0.00 C ATOM 1153 CZ PHE A 75 -3.374 -0.635 -4.870 1.00 0.00 C ATOM 0 H PHE A 75 -7.937 2.460 -4.126 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.956 2.190 -6.910 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.066 0.104 -4.978 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.752 -0.205 -6.674 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.135 0.660 -3.449 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.539 -0.698 -7.447 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.815 0.079 -2.906 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.215 -1.277 -6.901 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.353 -0.891 -4.629 1.00 0.00 H new ATOM 1163 N SER A 76 -9.307 1.899 -7.926 1.00 0.00 N ATOM 1164 CA SER A 76 -10.650 2.032 -8.507 1.00 0.00 C ATOM 1165 C SER A 76 -11.527 0.829 -8.140 1.00 0.00 C ATOM 1166 O SER A 76 -12.736 0.960 -7.940 1.00 0.00 O ATOM 1167 CB SER A 76 -10.571 2.158 -10.037 1.00 0.00 C ATOM 1168 OG SER A 76 -11.865 2.153 -10.624 1.00 0.00 O ATOM 0 H SER A 76 -8.578 1.664 -8.599 1.00 0.00 H new ATOM 0 HA SER A 76 -11.099 2.936 -8.096 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.053 3.080 -10.302 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.983 1.334 -10.442 1.00 0.00 H new ATOM 0 HG SER A 76 -11.783 2.236 -11.597 1.00 0.00 H new ATOM 1174 N ASP A 77 -10.905 -0.343 -8.059 1.00 0.00 N ATOM 1175 CA ASP A 77 -11.615 -1.578 -7.724 1.00 0.00 C ATOM 1176 C ASP A 77 -11.425 -1.964 -6.249 1.00 0.00 C ATOM 1177 O ASP A 77 -10.296 -2.112 -5.769 1.00 0.00 O ATOM 1178 CB ASP A 77 -11.139 -2.718 -8.632 1.00 0.00 C ATOM 1179 CG ASP A 77 -11.837 -4.039 -8.331 1.00 0.00 C ATOM 1180 OD1 ASP A 77 -12.984 -4.018 -7.840 1.00 0.00 O ATOM 1181 OD2 ASP A 77 -11.237 -5.104 -8.576 1.00 0.00 O ATOM 0 H ASP A 77 -9.906 -0.466 -8.221 1.00 0.00 H new ATOM 0 HA ASP A 77 -12.679 -1.403 -7.885 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -11.317 -2.447 -9.673 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.063 -2.845 -8.515 1.00 0.00 H new ATOM 1186 N SER A 78 -12.540 -2.143 -5.546 1.00 0.00 N ATOM 1187 CA SER A 78 -12.520 -2.581 -4.147 1.00 0.00 C ATOM 1188 C SER A 78 -11.851 -3.953 -4.002 1.00 0.00 C ATOM 1189 O SER A 78 -11.125 -4.207 -3.040 1.00 0.00 O ATOM 1190 CB SER A 78 -13.946 -2.650 -3.579 1.00 0.00 C ATOM 1191 OG SER A 78 -14.579 -1.376 -3.603 1.00 0.00 O ATOM 0 H SER A 78 -13.476 -1.991 -5.922 1.00 0.00 H new ATOM 0 HA SER A 78 -11.941 -1.847 -3.586 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.535 -3.361 -4.158 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.913 -3.022 -2.555 1.00 0.00 H new ATOM 0 HG SER A 78 -15.485 -1.454 -3.237 1.00 0.00 H new ATOM 1197 N GLU A 79 -12.082 -4.832 -4.977 1.00 0.00 N ATOM 1198 CA GLU A 79 -11.547 -6.194 -4.927 1.00 0.00 C ATOM 1199 C GLU A 79 -10.024 -6.220 -5.141 1.00 0.00 C ATOM 1200 O GLU A 79 -9.300 -6.826 -4.351 1.00 0.00 O ATOM 1201 CB GLU A 79 -12.255 -7.092 -5.949 1.00 0.00 C ATOM 1202 CG GLU A 79 -13.748 -7.257 -5.678 1.00 0.00 C ATOM 1203 CD GLU A 79 -14.387 -8.341 -6.530 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -14.190 -9.537 -6.217 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -15.091 -8.007 -7.509 1.00 0.00 O ATOM 0 H GLU A 79 -12.635 -4.627 -5.809 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.741 -6.584 -3.928 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.118 -6.673 -6.946 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.782 -8.074 -5.948 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.897 -7.495 -4.625 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.253 -6.309 -5.865 1.00 0.00 H new ATOM 1212 N CYS A 80 -9.538 -5.562 -6.199 1.00 0.00 N ATOM 1213 CA CYS A 80 -8.087 -5.444 -6.440 1.00 0.00 C ATOM 1214 C CYS A 80 -7.368 -4.858 -5.216 1.00 0.00 C ATOM 1215 O CYS A 80 -6.284 -5.312 -4.840 1.00 0.00 O ATOM 1216 CB CYS A 80 -7.800 -4.572 -7.671 1.00 0.00 C ATOM 1217 SG CYS A 80 -8.384 -5.271 -9.233 1.00 0.00 S ATOM 0 H CYS A 80 -10.120 -5.104 -6.901 1.00 0.00 H new ATOM 0 HA CYS A 80 -7.707 -6.449 -6.623 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -8.265 -3.597 -7.527 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -6.725 -4.405 -7.741 1.00 0.00 H new ATOM 0 HG CYS A 80 -9.682 -5.343 -9.218 1.00 0.00 H new ATOM 1223 N ALA A 81 -7.981 -3.849 -4.599 1.00 0.00 N ATOM 1224 CA ALA A 81 -7.451 -3.262 -3.366 1.00 0.00 C ATOM 1225 C ALA A 81 -7.400 -4.301 -2.234 1.00 0.00 C ATOM 1226 O ALA A 81 -6.385 -4.446 -1.553 1.00 0.00 O ATOM 1227 CB ALA A 81 -8.294 -2.062 -2.949 1.00 0.00 C ATOM 0 H ALA A 81 -8.845 -3.420 -4.931 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.432 -2.927 -3.560 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.890 -1.635 -2.031 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.274 -1.311 -3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.322 -2.381 -2.778 1.00 0.00 H new ATOM 1233 N LYS A 82 -8.499 -5.037 -2.047 1.00 0.00 N ATOM 1234 CA LYS A 82 -8.563 -6.075 -1.014 1.00 0.00 C ATOM 1235 C LYS A 82 -7.553 -7.205 -1.285 1.00 0.00 C ATOM 1236 O LYS A 82 -7.024 -7.805 -0.351 1.00 0.00 O ATOM 1237 CB LYS A 82 -9.982 -6.653 -0.907 1.00 0.00 C ATOM 1238 CG LYS A 82 -10.148 -7.644 0.246 1.00 0.00 C ATOM 1239 CD LYS A 82 -11.587 -8.149 0.393 1.00 0.00 C ATOM 1240 CE LYS A 82 -11.997 -9.109 -0.725 1.00 0.00 C ATOM 1241 NZ LYS A 82 -12.141 -8.436 -2.042 1.00 0.00 N ATOM 0 H LYS A 82 -9.353 -4.934 -2.595 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.301 -5.605 -0.066 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.691 -5.835 -0.778 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.236 -7.150 -1.843 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -9.484 -8.494 0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.838 -7.167 1.176 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.694 -8.652 1.354 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.267 -7.297 0.401 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.253 -9.902 -0.807 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.942 -9.584 -0.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.949 -8.844 -2.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.301 -7.419 -1.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.274 -8.574 -2.599 1.00 0.00 H new ATOM 1255 N LYS A 83 -7.290 -7.498 -2.562 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.291 -8.511 -2.926 1.00 0.00 C ATOM 1257 C LYS A 83 -4.877 -8.027 -2.575 1.00 0.00 C ATOM 1258 O LYS A 83 -4.098 -8.754 -1.954 1.00 0.00 O ATOM 1259 CB LYS A 83 -6.365 -8.862 -4.421 1.00 0.00 C ATOM 1260 CG LYS A 83 -5.354 -9.932 -4.833 1.00 0.00 C ATOM 1261 CD LYS A 83 -5.421 -10.252 -6.321 1.00 0.00 C ATOM 1262 CE LYS A 83 -4.366 -11.282 -6.714 1.00 0.00 C ATOM 1263 NZ LYS A 83 -4.566 -12.587 -6.027 1.00 0.00 N ATOM 0 H LYS A 83 -7.750 -7.053 -3.356 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.514 -9.410 -2.352 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.371 -9.209 -4.658 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.192 -7.961 -5.009 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.349 -9.594 -4.582 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.537 -10.841 -4.260 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.412 -10.631 -6.570 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.274 -9.339 -6.899 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.394 -11.434 -7.793 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.376 -10.895 -6.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.442 -13.361 -6.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.870 -12.686 -5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.526 -12.626 -5.629 1.00 0.00 H new ATOM 1277 N ALA A 84 -4.553 -6.795 -2.971 1.00 0.00 N ATOM 1278 CA ALA A 84 -3.274 -6.179 -2.603 1.00 0.00 C ATOM 1279 C ALA A 84 -3.065 -6.241 -1.084 1.00 0.00 C ATOM 1280 O ALA A 84 -2.007 -6.638 -0.603 1.00 0.00 O ATOM 1281 CB ALA A 84 -3.222 -4.737 -3.096 1.00 0.00 C ATOM 0 H ALA A 84 -5.155 -6.205 -3.545 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.468 -6.736 -3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.267 -4.291 -2.816 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.327 -4.719 -4.181 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.034 -4.168 -2.644 1.00 0.00 H new ATOM 1287 N LEU A 85 -4.102 -5.869 -0.344 1.00 0.00 N ATOM 1288 CA LEU A 85 -4.110 -5.987 1.117 1.00 0.00 C ATOM 1289 C LEU A 85 -3.878 -7.443 1.552 1.00 0.00 C ATOM 1290 O LEU A 85 -2.963 -7.738 2.318 1.00 0.00 O ATOM 1291 CB LEU A 85 -5.460 -5.460 1.655 1.00 0.00 C ATOM 1292 CG LEU A 85 -5.694 -5.547 3.183 1.00 0.00 C ATOM 1293 CD1 LEU A 85 -6.733 -4.517 3.614 1.00 0.00 C ATOM 1294 CD2 LEU A 85 -6.152 -6.945 3.614 1.00 0.00 C ATOM 0 H LEU A 85 -4.960 -5.478 -0.733 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.297 -5.391 1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.558 -4.416 1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.260 -6.010 1.159 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.741 -5.340 3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.890 -4.587 4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.380 -3.517 3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.673 -4.710 3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.304 -6.961 4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.087 -7.192 3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.391 -7.677 3.344 1.00 0.00 H new ATOM 1306 N GLU A 86 -4.706 -8.341 1.029 1.00 0.00 N ATOM 1307 CA GLU A 86 -4.706 -9.754 1.428 1.00 0.00 C ATOM 1308 C GLU A 86 -3.335 -10.424 1.214 1.00 0.00 C ATOM 1309 O GLU A 86 -2.950 -11.331 1.955 1.00 0.00 O ATOM 1310 CB GLU A 86 -5.789 -10.505 0.635 1.00 0.00 C ATOM 1311 CG GLU A 86 -6.068 -11.919 1.131 1.00 0.00 C ATOM 1312 CD GLU A 86 -6.785 -11.950 2.473 1.00 0.00 C ATOM 1313 OE1 GLU A 86 -6.119 -11.801 3.516 1.00 0.00 O ATOM 1314 OE2 GLU A 86 -8.021 -12.143 2.491 1.00 0.00 O ATOM 0 H GLU A 86 -5.399 -8.115 0.315 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.920 -9.799 2.496 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.714 -9.930 0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.488 -10.553 -0.411 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -6.672 -12.445 0.391 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.126 -12.460 1.217 1.00 0.00 H new ATOM 1321 N GLN A 87 -2.597 -9.977 0.197 1.00 0.00 N ATOM 1322 CA GLN A 87 -1.289 -10.563 -0.122 1.00 0.00 C ATOM 1323 C GLN A 87 -0.138 -9.815 0.576 1.00 0.00 C ATOM 1324 O GLN A 87 0.774 -10.435 1.127 1.00 0.00 O ATOM 1325 CB GLN A 87 -1.053 -10.577 -1.650 1.00 0.00 C ATOM 1326 CG GLN A 87 -1.437 -11.884 -2.359 1.00 0.00 C ATOM 1327 CD GLN A 87 -2.908 -12.000 -2.759 1.00 0.00 C ATOM 1328 OE1 GLN A 87 -3.236 -12.629 -3.759 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -3.805 -11.410 -2.000 1.00 0.00 N ATOM 0 H GLN A 87 -2.879 -9.215 -0.419 1.00 0.00 H new ATOM 0 HA GLN A 87 -1.300 -11.588 0.250 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.620 -9.760 -2.097 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.001 -10.375 -1.841 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -0.824 -11.986 -3.255 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.188 -12.720 -1.705 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.511 -10.892 -1.172 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -4.795 -11.471 -2.239 1.00 0.00 H new ATOM 1338 N LEU A 88 -0.189 -8.487 0.565 1.00 0.00 N ATOM 1339 CA LEU A 88 0.939 -7.670 1.030 1.00 0.00 C ATOM 1340 C LEU A 88 0.927 -7.449 2.549 1.00 0.00 C ATOM 1341 O LEU A 88 1.967 -7.159 3.145 1.00 0.00 O ATOM 1342 CB LEU A 88 0.943 -6.328 0.294 1.00 0.00 C ATOM 1343 CG LEU A 88 1.060 -6.440 -1.234 1.00 0.00 C ATOM 1344 CD1 LEU A 88 0.930 -5.072 -1.891 1.00 0.00 C ATOM 1345 CD2 LEU A 88 2.376 -7.112 -1.629 1.00 0.00 C ATOM 0 H LEU A 88 -0.994 -7.950 0.241 1.00 0.00 H new ATOM 0 HA LEU A 88 1.853 -8.219 0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.026 -5.792 0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.772 -5.726 0.666 1.00 0.00 H new ATOM 0 HG LEU A 88 0.240 -7.063 -1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.016 -5.178 -2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.040 -4.641 -1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.721 -4.417 -1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.438 -7.181 -2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.213 -6.522 -1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.417 -8.113 -1.199 1.00 0.00 H new ATOM 1357 N ASN A 89 -0.237 -7.581 3.182 1.00 0.00 N ATOM 1358 CA ASN A 89 -0.320 -7.451 4.639 1.00 0.00 C ATOM 1359 C ASN A 89 0.498 -8.562 5.318 1.00 0.00 C ATOM 1360 O ASN A 89 0.090 -9.727 5.347 1.00 0.00 O ATOM 1361 CB ASN A 89 -1.780 -7.487 5.109 1.00 0.00 C ATOM 1362 CG ASN A 89 -1.940 -7.160 6.587 1.00 0.00 C ATOM 1363 OD1 ASN A 89 -1.063 -7.424 7.405 1.00 0.00 O ATOM 1364 ND2 ASN A 89 -3.057 -6.563 6.941 1.00 0.00 N ATOM 0 H ASN A 89 -1.125 -7.775 2.719 1.00 0.00 H new ATOM 0 HA ASN A 89 0.100 -6.486 4.924 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -2.362 -6.778 4.521 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -2.193 -8.477 4.915 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.212 -6.307 7.916 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -3.769 -6.356 6.240 1.00 0.00 H new ATOM 1371 N GLY A 90 1.668 -8.191 5.832 1.00 0.00 N ATOM 1372 CA GLY A 90 2.569 -9.153 6.462 1.00 0.00 C ATOM 1373 C GLY A 90 3.834 -9.408 5.642 1.00 0.00 C ATOM 1374 O GLY A 90 4.789 -10.008 6.135 1.00 0.00 O ATOM 0 H GLY A 90 2.014 -7.232 5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.850 -8.787 7.450 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.041 -10.095 6.609 1.00 0.00 H new ATOM 1378 N PHE A 91 3.842 -8.941 4.395 1.00 0.00 N ATOM 1379 CA PHE A 91 4.986 -9.132 3.491 1.00 0.00 C ATOM 1380 C PHE A 91 6.236 -8.382 3.984 1.00 0.00 C ATOM 1381 O PHE A 91 6.188 -7.182 4.249 1.00 0.00 O ATOM 1382 CB PHE A 91 4.615 -8.659 2.076 1.00 0.00 C ATOM 1383 CG PHE A 91 5.752 -8.733 1.083 1.00 0.00 C ATOM 1384 CD1 PHE A 91 6.169 -9.956 0.578 1.00 0.00 C ATOM 1385 CD2 PHE A 91 6.404 -7.582 0.659 1.00 0.00 C ATOM 1386 CE1 PHE A 91 7.209 -10.028 -0.330 1.00 0.00 C ATOM 1387 CE2 PHE A 91 7.443 -7.650 -0.249 1.00 0.00 C ATOM 1388 CZ PHE A 91 7.848 -8.874 -0.743 1.00 0.00 C ATOM 0 H PHE A 91 3.066 -8.424 3.981 1.00 0.00 H new ATOM 0 HA PHE A 91 5.224 -10.196 3.474 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.786 -9.263 1.708 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.260 -7.630 2.130 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.676 -10.862 0.898 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.095 -6.622 1.044 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.522 -10.986 -0.717 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.938 -6.746 -0.572 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.662 -8.930 -1.450 1.00 0.00 H new ATOM 1398 N GLU A 92 7.355 -9.096 4.096 1.00 0.00 N ATOM 1399 CA GLU A 92 8.610 -8.498 4.563 1.00 0.00 C ATOM 1400 C GLU A 92 9.417 -7.927 3.387 1.00 0.00 C ATOM 1401 O GLU A 92 10.076 -8.666 2.650 1.00 0.00 O ATOM 1402 CB GLU A 92 9.438 -9.538 5.326 1.00 0.00 C ATOM 1403 CG GLU A 92 10.639 -8.964 6.067 1.00 0.00 C ATOM 1404 CD GLU A 92 11.318 -9.998 6.951 1.00 0.00 C ATOM 1405 OE1 GLU A 92 10.734 -10.371 7.992 1.00 0.00 O ATOM 1406 OE2 GLU A 92 12.422 -10.457 6.600 1.00 0.00 O ATOM 0 H GLU A 92 7.421 -10.089 3.871 1.00 0.00 H new ATOM 0 HA GLU A 92 8.369 -7.676 5.237 1.00 0.00 H new ATOM 0 HB2 GLU A 92 8.792 -10.044 6.043 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.787 -10.294 4.623 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.358 -8.578 5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.317 -8.121 6.679 1.00 0.00 H new ATOM 1413 N LEU A 93 9.348 -6.608 3.207 1.00 0.00 N ATOM 1414 CA LEU A 93 10.029 -5.937 2.092 1.00 0.00 C ATOM 1415 C LEU A 93 11.486 -5.587 2.442 1.00 0.00 C ATOM 1416 O LEU A 93 12.413 -6.308 2.081 1.00 0.00 O ATOM 1417 CB LEU A 93 9.255 -4.669 1.690 1.00 0.00 C ATOM 1418 CG LEU A 93 9.837 -3.882 0.500 1.00 0.00 C ATOM 1419 CD1 LEU A 93 9.841 -4.727 -0.771 1.00 0.00 C ATOM 1420 CD2 LEU A 93 9.059 -2.586 0.281 1.00 0.00 C ATOM 0 H LEU A 93 8.827 -5.979 3.818 1.00 0.00 H new ATOM 0 HA LEU A 93 10.052 -6.628 1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 93 8.230 -4.952 1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 93 9.208 -4.005 2.553 1.00 0.00 H new ATOM 0 HG LEU A 93 10.870 -3.630 0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.257 -4.145 -1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.448 -5.618 -0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.820 -5.022 -1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.485 -2.044 -0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.015 -2.819 0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 93 9.121 -1.968 1.177 1.00 0.00 H new ATOM 1432 N ALA A 94 11.681 -4.481 3.154 1.00 0.00 N ATOM 1433 CA ALA A 94 13.021 -4.041 3.558 1.00 0.00 C ATOM 1434 C ALA A 94 13.432 -4.675 4.894 1.00 0.00 C ATOM 1435 O ALA A 94 13.831 -3.976 5.831 1.00 0.00 O ATOM 1436 CB ALA A 94 13.055 -2.520 3.648 1.00 0.00 C ATOM 0 H ALA A 94 10.928 -3.868 3.466 1.00 0.00 H new ATOM 0 HA ALA A 94 13.738 -4.369 2.805 1.00 0.00 H new ATOM 0 HB1 ALA A 94 14.051 -2.195 3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 94 12.812 -2.092 2.675 1.00 0.00 H new ATOM 0 HB3 ALA A 94 12.326 -2.183 4.385 1.00 0.00 H new ATOM 1442 N GLY A 95 13.330 -6.005 4.973 1.00 0.00 N ATOM 1443 CA GLY A 95 13.573 -6.710 6.230 1.00 0.00 C ATOM 1444 C GLY A 95 12.561 -6.343 7.308 1.00 0.00 C ATOM 1445 O GLY A 95 12.762 -6.610 8.495 1.00 0.00 O ATOM 0 H GLY A 95 13.083 -6.608 4.188 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.537 -7.785 6.053 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.577 -6.479 6.585 1.00 0.00 H new ATOM 1449 N ARG A 96 11.465 -5.727 6.879 1.00 0.00 N ATOM 1450 CA ARG A 96 10.387 -5.308 7.773 1.00 0.00 C ATOM 1451 C ARG A 96 9.022 -5.664 7.175 1.00 0.00 C ATOM 1452 O ARG A 96 8.819 -5.542 5.962 1.00 0.00 O ATOM 1453 CB ARG A 96 10.456 -3.794 8.023 1.00 0.00 C ATOM 1454 CG ARG A 96 11.685 -3.352 8.806 1.00 0.00 C ATOM 1455 CD ARG A 96 11.721 -1.841 8.991 1.00 0.00 C ATOM 1456 NE ARG A 96 12.938 -1.400 9.669 1.00 0.00 N ATOM 1457 CZ ARG A 96 12.979 -0.466 10.580 1.00 0.00 C ATOM 1458 NH1 ARG A 96 11.899 0.143 10.951 1.00 0.00 N ATOM 1459 NH2 ARG A 96 14.111 -0.143 11.116 1.00 0.00 N ATOM 0 H ARG A 96 11.297 -5.503 5.898 1.00 0.00 H new ATOM 0 HA ARG A 96 10.509 -5.834 8.720 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.443 -3.277 7.064 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.562 -3.484 8.564 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.689 -3.838 9.781 1.00 0.00 H new ATOM 0 HG3 ARG A 96 12.585 -3.676 8.284 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.652 -1.355 8.018 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.851 -1.526 9.567 1.00 0.00 H new ATOM 0 HE ARG A 96 13.815 -1.853 9.413 1.00 0.00 H new ATOM 0 HH11 ARG A 96 11.003 -0.105 10.531 1.00 0.00 H new ATOM 0 HH12 ARG A 96 11.943 0.871 11.664 1.00 0.00 H new ATOM 0 HH21 ARG A 96 14.966 -0.617 10.826 1.00 0.00 H new ATOM 0 HH22 ARG A 96 14.148 0.586 11.828 1.00 0.00 H new ATOM 1473 N PRO A 97 8.076 -6.120 8.016 1.00 0.00 N ATOM 1474 CA PRO A 97 6.704 -6.435 7.580 1.00 0.00 C ATOM 1475 C PRO A 97 5.965 -5.220 6.985 1.00 0.00 C ATOM 1476 O PRO A 97 6.150 -4.084 7.422 1.00 0.00 O ATOM 1477 CB PRO A 97 6.013 -6.895 8.877 1.00 0.00 C ATOM 1478 CG PRO A 97 6.862 -6.346 9.979 1.00 0.00 C ATOM 1479 CD PRO A 97 8.265 -6.380 9.457 1.00 0.00 C ATOM 0 HA PRO A 97 6.701 -7.179 6.784 1.00 0.00 H new ATOM 0 HB2 PRO A 97 4.993 -6.516 8.937 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.952 -7.982 8.929 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.563 -5.330 10.236 1.00 0.00 H new ATOM 0 HG3 PRO A 97 6.765 -6.945 10.885 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.891 -5.622 9.927 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.742 -7.344 9.636 1.00 0.00 H new ATOM 1487 N MET A 98 5.123 -5.470 5.988 1.00 0.00 N ATOM 1488 CA MET A 98 4.290 -4.423 5.391 1.00 0.00 C ATOM 1489 C MET A 98 2.866 -4.478 5.972 1.00 0.00 C ATOM 1490 O MET A 98 2.105 -5.402 5.687 1.00 0.00 O ATOM 1491 CB MET A 98 4.249 -4.592 3.865 1.00 0.00 C ATOM 1492 CG MET A 98 3.506 -3.478 3.138 1.00 0.00 C ATOM 1493 SD MET A 98 3.407 -3.749 1.357 1.00 0.00 S ATOM 1494 CE MET A 98 5.143 -3.843 0.922 1.00 0.00 C ATOM 0 H MET A 98 4.996 -6.393 5.572 1.00 0.00 H new ATOM 0 HA MET A 98 4.723 -3.451 5.627 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.270 -4.640 3.487 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.776 -5.545 3.628 1.00 0.00 H new ATOM 0 HG2 MET A 98 2.498 -3.394 3.545 1.00 0.00 H new ATOM 0 HG3 MET A 98 4.007 -2.529 3.329 1.00 0.00 H new ATOM 0 HE1 MET A 98 5.247 -3.830 -0.163 1.00 0.00 H new ATOM 0 HE2 MET A 98 5.671 -2.990 1.348 1.00 0.00 H new ATOM 0 HE3 MET A 98 5.567 -4.766 1.316 1.00 0.00 H new ATOM 1504 N LYS A 99 2.512 -3.497 6.796 1.00 0.00 N ATOM 1505 CA LYS A 99 1.199 -3.482 7.451 1.00 0.00 C ATOM 1506 C LYS A 99 0.152 -2.764 6.585 1.00 0.00 C ATOM 1507 O LYS A 99 0.018 -1.540 6.640 1.00 0.00 O ATOM 1508 CB LYS A 99 1.300 -2.814 8.833 1.00 0.00 C ATOM 1509 CG LYS A 99 2.230 -3.538 9.805 1.00 0.00 C ATOM 1510 CD LYS A 99 1.747 -4.958 10.106 1.00 0.00 C ATOM 1511 CE LYS A 99 2.657 -5.676 11.098 1.00 0.00 C ATOM 1512 NZ LYS A 99 2.165 -7.048 11.410 1.00 0.00 N ATOM 0 H LYS A 99 3.109 -2.703 7.028 1.00 0.00 H new ATOM 0 HA LYS A 99 0.875 -4.515 7.580 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.650 -1.790 8.706 1.00 0.00 H new ATOM 0 HB3 LYS A 99 0.304 -2.758 9.272 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.235 -3.578 9.384 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.296 -2.972 10.734 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.734 -4.918 10.507 1.00 0.00 H new ATOM 0 HD3 LYS A 99 1.701 -5.529 9.179 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.665 -5.736 10.688 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.721 -5.095 12.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.810 -7.503 12.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 1.213 -6.989 11.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.128 -7.611 10.536 1.00 0.00 H new ATOM 1526 N VAL A 100 -0.570 -3.537 5.771 1.00 0.00 N ATOM 1527 CA VAL A 100 -1.608 -2.990 4.884 1.00 0.00 C ATOM 1528 C VAL A 100 -3.022 -3.297 5.406 1.00 0.00 C ATOM 1529 O VAL A 100 -3.496 -4.431 5.324 1.00 0.00 O ATOM 1530 CB VAL A 100 -1.473 -3.550 3.444 1.00 0.00 C ATOM 1531 CG1 VAL A 100 -2.498 -2.905 2.508 1.00 0.00 C ATOM 1532 CG2 VAL A 100 -0.055 -3.350 2.916 1.00 0.00 C ATOM 0 H VAL A 100 -0.457 -4.549 5.705 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.462 -1.910 4.868 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.675 -4.621 3.478 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.383 -3.315 1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.504 -3.113 2.871 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.338 -1.827 2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.016 -3.750 1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.182 -2.286 2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.651 -3.871 3.563 1.00 0.00 H new ATOM 1542 N GLY A 101 -3.690 -2.284 5.950 1.00 0.00 N ATOM 1543 CA GLY A 101 -5.071 -2.441 6.409 1.00 0.00 C ATOM 1544 C GLY A 101 -6.046 -1.577 5.613 1.00 0.00 C ATOM 1545 O GLY A 101 -5.657 -0.552 5.064 1.00 0.00 O ATOM 0 H GLY A 101 -3.302 -1.350 6.084 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.363 -3.488 6.324 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.133 -2.177 7.465 1.00 0.00 H new ATOM 1549 N HIS A 102 -7.315 -1.975 5.546 1.00 0.00 N ATOM 1550 CA HIS A 102 -8.316 -1.200 4.790 1.00 0.00 C ATOM 1551 C HIS A 102 -8.818 0.022 5.588 1.00 0.00 C ATOM 1552 O HIS A 102 -10.019 0.185 5.804 1.00 0.00 O ATOM 1553 CB HIS A 102 -9.497 -2.094 4.364 1.00 0.00 C ATOM 1554 CG HIS A 102 -10.173 -2.826 5.486 1.00 0.00 C ATOM 1555 ND1 HIS A 102 -10.881 -2.193 6.488 1.00 0.00 N ATOM 1556 CD2 HIS A 102 -10.256 -4.149 5.758 1.00 0.00 C ATOM 1557 CE1 HIS A 102 -11.364 -3.092 7.322 1.00 0.00 C ATOM 1558 NE2 HIS A 102 -11.000 -4.284 6.903 1.00 0.00 N ATOM 0 H HIS A 102 -7.678 -2.815 5.996 1.00 0.00 H new ATOM 0 HA HIS A 102 -7.824 -0.826 3.892 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -10.237 -1.476 3.855 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -9.138 -2.824 3.638 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -11.010 -1.185 6.570 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -9.818 -4.950 5.181 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -11.958 -2.885 8.200 1.00 0.00 H new