USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 559 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 28 LYS NZ :NH3+ 168:sc= -0.139 (180deg=-0.648) USER MOD Set 1.2: A 90 THR OG1 : rot 180:sc= -0.194 USER MOD Set 2.1: A 54 TYR OH : rot 130:sc= 0.557 USER MOD Set 2.2: A 95 GLN : amide:sc= -2.45! C(o=-1.9!,f=-4.5!) USER MOD Single : A 24 HIS : no HD1:sc= -1.45 X(o=-1.5,f=-1.9) USER MOD Single : A 26 ASN : amide:sc= -0.375 X(o=-0.37,f=-0.46) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 40 LYS NZ :NH3+ -153:sc= -0.12 (180deg=-1.04) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -0.454 X(o=-0.45,f=-0.23) USER MOD Single : A 45 THR OG1 : rot -133:sc= -1.67 USER MOD Single : A 48 SER OG : rot 180:sc= -0.714 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -137:sc= -0.175 (180deg=-3.65!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 CYS SG : rot -29:sc= 0.508 USER MOD Single : A 58 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.1!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -169:sc= -6.34! (180deg=-6.56!) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -0.155 X(o=-0.16,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.579 X(o=-0.58,f=-0.23) USER MOD Single : A 85 MET CE :methyl 160:sc= -1.81 (180deg=-2.62!) USER MOD ----------------------------------------------------------------- ATOM 307 N HIS A 24 7.448 7.999 12.926 1.00 0.00 N ATOM 308 CA HIS A 24 6.888 7.230 11.821 1.00 0.00 C ATOM 309 C HIS A 24 7.824 6.095 11.418 1.00 0.00 C ATOM 310 O HIS A 24 8.988 6.067 11.818 1.00 0.00 O ATOM 311 CB HIS A 24 6.625 8.140 10.621 1.00 0.00 C ATOM 312 CG HIS A 24 5.930 9.418 10.978 1.00 0.00 C ATOM 313 ND1 HIS A 24 4.596 9.478 11.324 1.00 0.00 N ATOM 314 CD2 HIS A 24 6.392 10.688 11.044 1.00 0.00 C ATOM 315 CE1 HIS A 24 4.268 10.730 11.585 1.00 0.00 C ATOM 316 NE2 HIS A 24 5.340 11.485 11.424 1.00 0.00 N ATOM 0 HA HIS A 24 5.945 6.797 12.154 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.574 8.375 10.139 1.00 0.00 H new ATOM 0 HB3 HIS A 24 6.022 7.600 9.891 1.00 0.00 H new ATOM 0 HD2 HIS A 24 7.400 11.014 10.836 1.00 0.00 H new ATOM 0 HE1 HIS A 24 3.289 11.078 11.880 1.00 0.00 H new ATOM 0 HE2 HIS A 24 5.380 12.495 11.560 1.00 0.00 H new ATOM 325 N ILE A 25 7.308 5.161 10.626 1.00 0.00 N ATOM 326 CA ILE A 25 8.098 4.025 10.170 1.00 0.00 C ATOM 327 C ILE A 25 7.982 3.845 8.660 1.00 0.00 C ATOM 328 O ILE A 25 6.926 4.084 8.076 1.00 0.00 O ATOM 329 CB ILE A 25 7.664 2.721 10.866 1.00 0.00 C ATOM 330 CG1 ILE A 25 6.208 2.396 10.525 1.00 0.00 C ATOM 331 CG2 ILE A 25 7.847 2.838 12.372 1.00 0.00 C ATOM 332 CD1 ILE A 25 5.756 1.045 11.033 1.00 0.00 C ATOM 0 H ILE A 25 6.346 5.169 10.287 1.00 0.00 H new ATOM 0 HA ILE A 25 9.135 4.238 10.430 1.00 0.00 H new ATOM 0 HB ILE A 25 8.293 1.907 10.505 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.564 3.168 10.946 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.080 2.430 9.443 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.536 1.909 12.850 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.896 3.028 12.597 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.240 3.661 12.749 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.715 0.882 10.755 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.376 0.264 10.592 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.851 1.014 12.118 1.00 0.00 H new ATOM 344 N ASN A 26 9.075 3.420 8.035 1.00 0.00 N ATOM 345 CA ASN A 26 9.096 3.206 6.592 1.00 0.00 C ATOM 346 C ASN A 26 9.203 1.720 6.264 1.00 0.00 C ATOM 347 O ASN A 26 10.084 1.023 6.770 1.00 0.00 O ATOM 348 CB ASN A 26 10.264 3.965 5.960 1.00 0.00 C ATOM 349 CG ASN A 26 10.206 5.454 6.242 1.00 0.00 C ATOM 350 OD1 ASN A 26 9.870 6.251 5.365 1.00 0.00 O ATOM 351 ND2 ASN A 26 10.534 5.837 7.470 1.00 0.00 N ATOM 0 H ASN A 26 9.957 3.217 8.504 1.00 0.00 H new ATOM 0 HA ASN A 26 8.160 3.584 6.180 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.203 3.562 6.339 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.259 3.802 4.882 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.514 6.826 7.718 1.00 0.00 H new ATOM 0 HD22 ASN A 26 10.806 5.142 8.165 1.00 0.00 H new ATOM 358 N LEU A 27 8.302 1.241 5.414 1.00 0.00 N ATOM 359 CA LEU A 27 8.295 -0.163 5.016 1.00 0.00 C ATOM 360 C LEU A 27 8.576 -0.308 3.524 1.00 0.00 C ATOM 361 O LEU A 27 7.989 0.394 2.700 1.00 0.00 O ATOM 362 CB LEU A 27 6.949 -0.803 5.358 1.00 0.00 C ATOM 363 CG LEU A 27 6.281 -0.316 6.644 1.00 0.00 C ATOM 364 CD1 LEU A 27 4.920 -0.971 6.820 1.00 0.00 C ATOM 365 CD2 LEU A 27 7.170 -0.597 7.847 1.00 0.00 C ATOM 0 H LEU A 27 7.566 1.804 4.987 1.00 0.00 H new ATOM 0 HA LEU A 27 9.084 -0.675 5.566 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.265 -0.627 4.528 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.090 -1.881 5.432 1.00 0.00 H new ATOM 0 HG LEU A 27 6.136 0.762 6.569 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.460 -0.612 7.741 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.282 -0.718 5.973 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.041 -2.053 6.873 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.678 -0.244 8.753 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.348 -1.670 7.925 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.121 -0.079 7.725 1.00 0.00 H new ATOM 377 N LYS A 28 9.476 -1.224 3.183 1.00 0.00 N ATOM 378 CA LYS A 28 9.833 -1.465 1.790 1.00 0.00 C ATOM 379 C LYS A 28 8.950 -2.549 1.181 1.00 0.00 C ATOM 380 O LYS A 28 9.025 -3.715 1.570 1.00 0.00 O ATOM 381 CB LYS A 28 11.305 -1.870 1.682 1.00 0.00 C ATOM 382 CG LYS A 28 12.272 -0.738 1.985 1.00 0.00 C ATOM 383 CD LYS A 28 13.702 -1.240 2.092 1.00 0.00 C ATOM 384 CE LYS A 28 14.051 -1.628 3.521 1.00 0.00 C ATOM 385 NZ LYS A 28 13.768 -3.065 3.790 1.00 0.00 N ATOM 0 H LYS A 28 9.972 -1.812 3.853 1.00 0.00 H new ATOM 0 HA LYS A 28 9.676 -0.540 1.236 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.497 -2.694 2.369 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.498 -2.242 0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.208 0.016 1.201 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.985 -0.253 2.918 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.837 -2.101 1.437 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.387 -0.466 1.746 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.106 -1.425 3.705 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.481 -1.010 4.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.201 -3.341 4.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.740 -3.213 3.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.165 -3.646 3.025 1.00 0.00 H new ATOM 399 N VAL A 29 8.115 -2.159 0.224 1.00 0.00 N ATOM 400 CA VAL A 29 7.220 -3.098 -0.440 1.00 0.00 C ATOM 401 C VAL A 29 7.882 -3.715 -1.667 1.00 0.00 C ATOM 402 O VAL A 29 8.216 -3.014 -2.623 1.00 0.00 O ATOM 403 CB VAL A 29 5.907 -2.416 -0.867 1.00 0.00 C ATOM 404 CG1 VAL A 29 4.894 -3.451 -1.334 1.00 0.00 C ATOM 405 CG2 VAL A 29 5.343 -1.584 0.275 1.00 0.00 C ATOM 0 H VAL A 29 8.040 -1.198 -0.109 1.00 0.00 H new ATOM 0 HA VAL A 29 6.995 -3.884 0.281 1.00 0.00 H new ATOM 0 HB VAL A 29 6.120 -1.749 -1.702 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.973 -2.950 -1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.300 -3.999 -2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.683 -4.146 -0.521 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.415 -1.109 -0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.145 -2.229 1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.064 -0.817 0.557 1.00 0.00 H new ATOM 415 N ALA A 30 8.068 -5.030 -1.634 1.00 0.00 N ATOM 416 CA ALA A 30 8.688 -5.742 -2.745 1.00 0.00 C ATOM 417 C ALA A 30 7.639 -6.438 -3.605 1.00 0.00 C ATOM 418 O ALA A 30 6.858 -7.251 -3.111 1.00 0.00 O ATOM 419 CB ALA A 30 9.702 -6.751 -2.225 1.00 0.00 C ATOM 0 H ALA A 30 7.798 -5.624 -0.850 1.00 0.00 H new ATOM 0 HA ALA A 30 9.205 -5.013 -3.369 1.00 0.00 H new ATOM 0 HB1 ALA A 30 10.157 -7.275 -3.065 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.475 -6.231 -1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.200 -7.470 -1.577 1.00 0.00 H new ATOM 479 N VAL A 36 10.125 -1.993 -6.001 1.00 0.00 N ATOM 480 CA VAL A 36 10.277 -1.596 -4.606 1.00 0.00 C ATOM 481 C VAL A 36 9.578 -0.268 -4.334 1.00 0.00 C ATOM 482 O VAL A 36 9.911 0.755 -4.932 1.00 0.00 O ATOM 483 CB VAL A 36 11.762 -1.470 -4.217 1.00 0.00 C ATOM 484 CG1 VAL A 36 11.899 -0.999 -2.777 1.00 0.00 C ATOM 485 CG2 VAL A 36 12.480 -2.796 -4.423 1.00 0.00 C ATOM 0 HA VAL A 36 9.816 -2.377 -4.002 1.00 0.00 H new ATOM 0 HB VAL A 36 12.227 -0.726 -4.863 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.955 -0.916 -2.520 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.421 -0.026 -2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 36 11.419 -1.717 -2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.528 -2.689 -4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 36 12.015 -3.562 -3.802 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.412 -3.088 -5.471 1.00 0.00 H new ATOM 495 N VAL A 37 8.607 -0.293 -3.427 1.00 0.00 N ATOM 496 CA VAL A 37 7.861 0.909 -3.073 1.00 0.00 C ATOM 497 C VAL A 37 7.847 1.123 -1.564 1.00 0.00 C ATOM 498 O VAL A 37 7.407 0.257 -0.809 1.00 0.00 O ATOM 499 CB VAL A 37 6.409 0.839 -3.584 1.00 0.00 C ATOM 500 CG1 VAL A 37 5.730 2.193 -3.450 1.00 0.00 C ATOM 501 CG2 VAL A 37 6.374 0.356 -5.026 1.00 0.00 C ATOM 0 H VAL A 37 8.318 -1.132 -2.924 1.00 0.00 H new ATOM 0 HA VAL A 37 8.367 1.748 -3.551 1.00 0.00 H new ATOM 0 HB VAL A 37 5.861 0.123 -2.972 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.706 2.124 -3.816 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.722 2.494 -2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.275 2.933 -4.036 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.341 0.313 -5.370 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.937 1.046 -5.655 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.819 -0.637 -5.088 1.00 0.00 H new ATOM 511 N GLN A 38 8.333 2.283 -1.132 1.00 0.00 N ATOM 512 CA GLN A 38 8.377 2.611 0.288 1.00 0.00 C ATOM 513 C GLN A 38 7.120 3.364 0.712 1.00 0.00 C ATOM 514 O GLN A 38 6.385 3.886 -0.126 1.00 0.00 O ATOM 515 CB GLN A 38 9.618 3.448 0.601 1.00 0.00 C ATOM 516 CG GLN A 38 10.905 2.639 0.636 1.00 0.00 C ATOM 517 CD GLN A 38 12.119 3.457 0.242 1.00 0.00 C ATOM 518 OE1 GLN A 38 12.248 4.621 0.623 1.00 0.00 O ATOM 519 NE2 GLN A 38 13.017 2.851 -0.526 1.00 0.00 N ATOM 0 H GLN A 38 8.701 3.010 -1.745 1.00 0.00 H new ATOM 0 HA GLN A 38 8.426 1.678 0.850 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.714 4.235 -0.147 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.481 3.939 1.564 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.051 2.239 1.639 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.812 1.786 -0.037 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.869 1.885 -0.818 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.854 3.352 -0.824 1.00 0.00 H new ATOM 528 N PHE A 39 6.880 3.416 2.018 1.00 0.00 N ATOM 529 CA PHE A 39 5.711 4.104 2.553 1.00 0.00 C ATOM 530 C PHE A 39 5.968 4.583 3.979 1.00 0.00 C ATOM 531 O PHE A 39 6.302 3.792 4.861 1.00 0.00 O ATOM 532 CB PHE A 39 4.491 3.181 2.525 1.00 0.00 C ATOM 533 CG PHE A 39 4.045 2.820 1.137 1.00 0.00 C ATOM 534 CD1 PHE A 39 4.646 1.777 0.451 1.00 0.00 C ATOM 535 CD2 PHE A 39 3.023 3.523 0.519 1.00 0.00 C ATOM 536 CE1 PHE A 39 4.237 1.443 -0.826 1.00 0.00 C ATOM 537 CE2 PHE A 39 2.610 3.193 -0.758 1.00 0.00 C ATOM 538 CZ PHE A 39 3.217 2.152 -1.431 1.00 0.00 C ATOM 0 H PHE A 39 7.479 2.990 2.725 1.00 0.00 H new ATOM 0 HA PHE A 39 5.514 4.973 1.926 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.724 2.268 3.072 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.667 3.665 3.049 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.443 1.219 0.920 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.544 4.338 1.041 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.714 0.629 -1.351 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.813 3.749 -1.229 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.895 1.892 -2.429 1.00 0.00 H new ATOM 548 N LYS A 40 5.809 5.884 4.197 1.00 0.00 N ATOM 549 CA LYS A 40 6.023 6.471 5.515 1.00 0.00 C ATOM 550 C LYS A 40 4.692 6.776 6.196 1.00 0.00 C ATOM 551 O LYS A 40 3.973 7.690 5.792 1.00 0.00 O ATOM 552 CB LYS A 40 6.853 7.751 5.397 1.00 0.00 C ATOM 553 CG LYS A 40 7.474 8.196 6.710 1.00 0.00 C ATOM 554 CD LYS A 40 7.836 9.671 6.684 1.00 0.00 C ATOM 555 CE LYS A 40 6.671 10.539 7.136 1.00 0.00 C ATOM 556 NZ LYS A 40 5.794 10.927 5.997 1.00 0.00 N ATOM 0 H LYS A 40 5.533 6.552 3.478 1.00 0.00 H new ATOM 0 HA LYS A 40 6.566 5.748 6.124 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.645 7.594 4.665 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.219 8.551 5.015 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.777 8.006 7.526 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.368 7.605 6.910 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.695 9.847 7.331 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.133 9.956 5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.084 10.000 7.879 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.054 11.437 7.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.322 11.828 6.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.369 11.036 5.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.078 10.189 5.843 1.00 0.00 H new ATOM 570 N ILE A 41 4.373 6.007 7.232 1.00 0.00 N ATOM 571 CA ILE A 41 3.131 6.198 7.970 1.00 0.00 C ATOM 572 C ILE A 41 3.378 6.186 9.475 1.00 0.00 C ATOM 573 O ILE A 41 4.508 6.000 9.928 1.00 0.00 O ATOM 574 CB ILE A 41 2.097 5.110 7.622 1.00 0.00 C ATOM 575 CG1 ILE A 41 2.443 3.801 8.334 1.00 0.00 C ATOM 576 CG2 ILE A 41 2.034 4.901 6.117 1.00 0.00 C ATOM 577 CD1 ILE A 41 1.400 2.721 8.152 1.00 0.00 C ATOM 0 H ILE A 41 4.957 5.246 7.579 1.00 0.00 H new ATOM 0 HA ILE A 41 2.736 7.171 7.677 1.00 0.00 H new ATOM 0 HB ILE A 41 1.116 5.439 7.964 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.401 3.437 7.962 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.569 3.998 9.399 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.299 4.129 5.887 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.745 5.833 5.632 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.013 4.590 5.752 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.711 1.822 8.684 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.446 3.066 8.550 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.291 2.496 7.091 1.00 0.00 H new ATOM 589 N LYS A 42 2.314 6.383 10.245 1.00 0.00 N ATOM 590 CA LYS A 42 2.413 6.393 11.700 1.00 0.00 C ATOM 591 C LYS A 42 2.190 4.995 12.269 1.00 0.00 C ATOM 592 O LYS A 42 1.758 4.087 11.559 1.00 0.00 O ATOM 593 CB LYS A 42 1.394 7.366 12.295 1.00 0.00 C ATOM 594 CG LYS A 42 1.415 8.740 11.648 1.00 0.00 C ATOM 595 CD LYS A 42 0.099 9.473 11.852 1.00 0.00 C ATOM 596 CE LYS A 42 -0.086 10.582 10.828 1.00 0.00 C ATOM 597 NZ LYS A 42 -0.544 10.053 9.513 1.00 0.00 N ATOM 0 H LYS A 42 1.372 6.538 9.886 1.00 0.00 H new ATOM 0 HA LYS A 42 3.417 6.720 11.969 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.396 6.941 12.193 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.587 7.473 13.362 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.230 9.329 12.069 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.614 8.638 10.581 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.728 8.766 11.778 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.068 9.895 12.857 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.812 11.304 11.202 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.855 11.116 10.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.658 10.840 8.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.161 9.383 9.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.455 9.566 9.633 1.00 0.00 H new ATOM 611 N ARG A 43 2.485 4.831 13.554 1.00 0.00 N ATOM 612 CA ARG A 43 2.316 3.544 14.219 1.00 0.00 C ATOM 613 C ARG A 43 0.848 3.291 14.548 1.00 0.00 C ATOM 614 O ARG A 43 0.379 2.153 14.508 1.00 0.00 O ATOM 615 CB ARG A 43 3.153 3.492 15.498 1.00 0.00 C ATOM 616 CG ARG A 43 4.626 3.210 15.251 1.00 0.00 C ATOM 617 CD ARG A 43 4.891 1.719 15.108 1.00 0.00 C ATOM 618 NE ARG A 43 6.301 1.436 14.857 1.00 0.00 N ATOM 619 CZ ARG A 43 7.238 1.473 15.798 1.00 0.00 C ATOM 620 NH1 ARG A 43 6.915 1.780 17.047 1.00 0.00 N ATOM 621 NH2 ARG A 43 8.500 1.202 15.492 1.00 0.00 N ATOM 0 H ARG A 43 2.842 5.573 14.156 1.00 0.00 H new ATOM 0 HA ARG A 43 2.658 2.764 13.538 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.057 4.442 16.024 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.749 2.722 16.155 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.950 3.727 14.348 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.217 3.608 16.076 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.574 1.206 16.016 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.290 1.321 14.290 1.00 0.00 H new ATOM 0 HE ARG A 43 6.582 1.197 13.906 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.946 1.988 17.287 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.636 1.808 17.768 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.752 0.965 14.533 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.218 1.231 16.216 1.00 0.00 H new ATOM 635 N HIS A 44 0.127 4.359 14.874 1.00 0.00 N ATOM 636 CA HIS A 44 -1.288 4.253 15.210 1.00 0.00 C ATOM 637 C HIS A 44 -2.160 4.604 14.008 1.00 0.00 C ATOM 638 O HIS A 44 -3.207 5.236 14.151 1.00 0.00 O ATOM 639 CB HIS A 44 -1.625 5.171 16.385 1.00 0.00 C ATOM 640 CG HIS A 44 -1.055 6.549 16.251 1.00 0.00 C ATOM 641 ND1 HIS A 44 -0.315 7.157 17.243 1.00 0.00 N ATOM 642 CD2 HIS A 44 -1.118 7.438 15.232 1.00 0.00 C ATOM 643 CE1 HIS A 44 0.051 8.361 16.841 1.00 0.00 C ATOM 644 NE2 HIS A 44 -0.423 8.556 15.624 1.00 0.00 N ATOM 0 H HIS A 44 0.500 5.308 14.913 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.492 3.221 15.495 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.708 5.243 16.480 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.253 4.721 17.305 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.621 7.295 14.287 1.00 0.00 H new ATOM 0 HE1 HIS A 44 0.638 9.066 17.411 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -0.294 9.400 15.066 1.00 0.00 H new ATOM 653 N THR A 45 -1.721 4.191 12.823 1.00 0.00 N ATOM 654 CA THR A 45 -2.459 4.463 11.597 1.00 0.00 C ATOM 655 C THR A 45 -2.723 3.180 10.818 1.00 0.00 C ATOM 656 O THR A 45 -1.840 2.341 10.639 1.00 0.00 O ATOM 657 CB THR A 45 -1.701 5.453 10.693 1.00 0.00 C ATOM 658 OG1 THR A 45 -1.662 6.746 11.307 1.00 0.00 O ATOM 659 CG2 THR A 45 -2.363 5.554 9.327 1.00 0.00 C ATOM 0 H THR A 45 -0.857 3.666 12.687 1.00 0.00 H new ATOM 0 HA THR A 45 -3.410 4.907 11.892 1.00 0.00 H new ATOM 0 HB THR A 45 -0.684 5.084 10.560 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.907 7.429 10.648 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.810 6.259 8.706 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.365 4.574 8.850 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.389 5.902 9.445 1.00 0.00 H new ATOM 667 N PRO A 46 -3.967 3.022 10.340 1.00 0.00 N ATOM 668 CA PRO A 46 -4.375 1.843 9.570 1.00 0.00 C ATOM 669 C PRO A 46 -3.734 1.803 8.187 1.00 0.00 C ATOM 670 O PRO A 46 -3.775 2.784 7.444 1.00 0.00 O ATOM 671 CB PRO A 46 -5.892 2.005 9.451 1.00 0.00 C ATOM 672 CG PRO A 46 -6.128 3.471 9.576 1.00 0.00 C ATOM 673 CD PRO A 46 -5.069 3.982 10.514 1.00 0.00 C ATOM 0 HA PRO A 46 -4.068 0.915 10.052 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.257 1.625 8.497 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.412 1.452 10.234 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.059 3.962 8.605 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.126 3.674 9.966 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.762 4.996 10.259 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.423 4.005 11.545 1.00 0.00 H new ATOM 681 N LEU A 47 -3.141 0.664 7.848 1.00 0.00 N ATOM 682 CA LEU A 47 -2.491 0.496 6.553 1.00 0.00 C ATOM 683 C LEU A 47 -3.432 0.882 5.417 1.00 0.00 C ATOM 684 O LEU A 47 -2.998 1.104 4.286 1.00 0.00 O ATOM 685 CB LEU A 47 -2.027 -0.951 6.377 1.00 0.00 C ATOM 686 CG LEU A 47 -1.154 -1.518 7.497 1.00 0.00 C ATOM 687 CD1 LEU A 47 -0.869 -2.992 7.258 1.00 0.00 C ATOM 688 CD2 LEU A 47 0.144 -0.733 7.610 1.00 0.00 C ATOM 0 H LEU A 47 -3.097 -0.157 8.452 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.624 1.156 6.521 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.908 -1.584 6.275 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.473 -1.022 5.441 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.696 -1.423 8.438 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.246 -3.378 8.065 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.808 -3.544 7.229 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.347 -3.112 6.308 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.753 -1.150 8.412 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.691 -0.796 6.669 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.080 0.311 7.830 1.00 0.00 H new ATOM 700 N SER A 48 -4.722 0.964 5.726 1.00 0.00 N ATOM 701 CA SER A 48 -5.725 1.322 4.730 1.00 0.00 C ATOM 702 C SER A 48 -5.178 2.363 3.758 1.00 0.00 C ATOM 703 O SER A 48 -5.421 2.293 2.553 1.00 0.00 O ATOM 704 CB SER A 48 -6.984 1.859 5.414 1.00 0.00 C ATOM 705 OG SER A 48 -6.653 2.692 6.511 1.00 0.00 O ATOM 0 H SER A 48 -5.097 0.787 6.658 1.00 0.00 H new ATOM 0 HA SER A 48 -5.980 0.424 4.168 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.581 2.420 4.695 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.598 1.027 5.758 1.00 0.00 H new ATOM 0 HG SER A 48 -7.475 3.023 6.930 1.00 0.00 H new ATOM 711 N LYS A 49 -4.438 3.330 4.291 1.00 0.00 N ATOM 712 CA LYS A 49 -3.854 4.386 3.473 1.00 0.00 C ATOM 713 C LYS A 49 -2.625 3.879 2.725 1.00 0.00 C ATOM 714 O LYS A 49 -2.430 4.188 1.549 1.00 0.00 O ATOM 715 CB LYS A 49 -3.475 5.584 4.346 1.00 0.00 C ATOM 716 CG LYS A 49 -4.586 6.610 4.486 1.00 0.00 C ATOM 717 CD LYS A 49 -5.470 6.314 5.685 1.00 0.00 C ATOM 718 CE LYS A 49 -4.895 6.905 6.963 1.00 0.00 C ATOM 719 NZ LYS A 49 -5.926 7.030 8.030 1.00 0.00 N ATOM 0 H LYS A 49 -4.229 3.404 5.287 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.599 4.698 2.741 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.195 5.227 5.337 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.596 6.069 3.922 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.153 7.605 4.589 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.191 6.618 3.580 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.467 6.720 5.512 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.580 5.236 5.799 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.079 6.276 7.319 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.472 7.887 6.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.494 7.437 8.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.693 7.651 7.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.312 6.090 8.251 1.00 0.00 H new ATOM 733 N LEU A 50 -1.801 3.097 3.413 1.00 0.00 N ATOM 734 CA LEU A 50 -0.591 2.545 2.814 1.00 0.00 C ATOM 735 C LEU A 50 -0.928 1.694 1.593 1.00 0.00 C ATOM 736 O LEU A 50 -0.391 1.909 0.507 1.00 0.00 O ATOM 737 CB LEU A 50 0.174 1.706 3.839 1.00 0.00 C ATOM 738 CG LEU A 50 1.031 0.573 3.275 1.00 0.00 C ATOM 739 CD1 LEU A 50 1.926 1.086 2.158 1.00 0.00 C ATOM 740 CD2 LEU A 50 1.863 -0.066 4.377 1.00 0.00 C ATOM 0 H LEU A 50 -1.949 2.831 4.386 1.00 0.00 H new ATOM 0 HA LEU A 50 0.037 3.376 2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.819 2.371 4.414 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.545 1.277 4.537 1.00 0.00 H new ATOM 0 HG LEU A 50 0.368 -0.187 2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.529 0.265 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.310 1.495 1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.582 1.865 2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.467 -0.871 3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.517 0.685 4.821 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.202 -0.471 5.144 1.00 0.00 H new ATOM 752 N MET A 51 -1.821 0.728 1.780 1.00 0.00 N ATOM 753 CA MET A 51 -2.232 -0.153 0.694 1.00 0.00 C ATOM 754 C MET A 51 -2.833 0.647 -0.458 1.00 0.00 C ATOM 755 O MET A 51 -2.394 0.533 -1.602 1.00 0.00 O ATOM 756 CB MET A 51 -3.246 -1.182 1.198 1.00 0.00 C ATOM 757 CG MET A 51 -2.797 -1.912 2.454 1.00 0.00 C ATOM 758 SD MET A 51 -4.179 -2.407 3.501 1.00 0.00 S ATOM 759 CE MET A 51 -3.538 -3.919 4.215 1.00 0.00 C ATOM 0 H MET A 51 -2.274 0.536 2.674 1.00 0.00 H new ATOM 0 HA MET A 51 -1.347 -0.674 0.329 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.192 -0.680 1.398 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.433 -1.912 0.410 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.226 -2.796 2.171 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.127 -1.268 3.024 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.318 -4.681 4.215 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.690 -4.268 3.626 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.216 -3.730 5.239 1.00 0.00 H new ATOM 769 N LYS A 52 -3.840 1.457 -0.148 1.00 0.00 N ATOM 770 CA LYS A 52 -4.500 2.277 -1.156 1.00 0.00 C ATOM 771 C LYS A 52 -3.480 3.072 -1.965 1.00 0.00 C ATOM 772 O LYS A 52 -3.563 3.138 -3.191 1.00 0.00 O ATOM 773 CB LYS A 52 -5.496 3.232 -0.493 1.00 0.00 C ATOM 774 CG LYS A 52 -6.842 2.595 -0.193 1.00 0.00 C ATOM 775 CD LYS A 52 -7.960 3.624 -0.197 1.00 0.00 C ATOM 776 CE LYS A 52 -9.319 2.970 -0.389 1.00 0.00 C ATOM 777 NZ LYS A 52 -10.432 3.946 -0.227 1.00 0.00 N ATOM 0 H LYS A 52 -4.217 1.563 0.794 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.037 1.613 -1.834 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.065 3.605 0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.648 4.094 -1.143 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.054 1.824 -0.934 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.804 2.102 0.778 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.951 4.177 0.742 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.787 4.347 -0.994 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.370 2.523 -1.382 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.438 2.161 0.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.342 3.461 -0.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.399 4.354 0.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.333 4.705 -0.931 1.00 0.00 H new ATOM 791 N ALA A 53 -2.518 3.671 -1.271 1.00 0.00 N ATOM 792 CA ALA A 53 -1.480 4.457 -1.926 1.00 0.00 C ATOM 793 C ALA A 53 -0.606 3.580 -2.816 1.00 0.00 C ATOM 794 O ALA A 53 0.029 4.066 -3.752 1.00 0.00 O ATOM 795 CB ALA A 53 -0.628 5.175 -0.890 1.00 0.00 C ATOM 0 H ALA A 53 -2.436 3.627 -0.255 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.967 5.200 -2.558 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.143 5.758 -1.394 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.258 5.840 -0.299 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.158 4.442 -0.234 1.00 0.00 H new ATOM 801 N TYR A 54 -0.578 2.286 -2.519 1.00 0.00 N ATOM 802 CA TYR A 54 0.221 1.341 -3.290 1.00 0.00 C ATOM 803 C TYR A 54 -0.493 0.951 -4.581 1.00 0.00 C ATOM 804 O TYR A 54 0.109 0.935 -5.656 1.00 0.00 O ATOM 805 CB TYR A 54 0.514 0.091 -2.459 1.00 0.00 C ATOM 806 CG TYR A 54 1.374 -0.925 -3.176 1.00 0.00 C ATOM 807 CD1 TYR A 54 2.760 -0.865 -3.104 1.00 0.00 C ATOM 808 CD2 TYR A 54 0.800 -1.945 -3.925 1.00 0.00 C ATOM 809 CE1 TYR A 54 3.550 -1.791 -3.759 1.00 0.00 C ATOM 810 CE2 TYR A 54 1.582 -2.876 -4.581 1.00 0.00 C ATOM 811 CZ TYR A 54 2.956 -2.794 -4.496 1.00 0.00 C ATOM 812 OH TYR A 54 3.739 -3.719 -5.148 1.00 0.00 O ATOM 0 H TYR A 54 -1.100 1.867 -1.749 1.00 0.00 H new ATOM 0 HA TYR A 54 1.162 1.826 -3.548 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.011 0.387 -1.535 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.429 -0.378 -2.178 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.228 -0.082 -2.527 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.276 -2.011 -3.996 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.626 -1.729 -3.694 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.120 -3.664 -5.157 1.00 0.00 H new ATOM 0 HH TYR A 54 3.425 -4.622 -4.934 1.00 0.00 H new ATOM 822 N CYS A 55 -1.779 0.639 -4.467 1.00 0.00 N ATOM 823 CA CYS A 55 -2.576 0.249 -5.625 1.00 0.00 C ATOM 824 C CYS A 55 -2.781 1.430 -6.567 1.00 0.00 C ATOM 825 O CYS A 55 -2.778 1.271 -7.787 1.00 0.00 O ATOM 826 CB CYS A 55 -3.930 -0.302 -5.175 1.00 0.00 C ATOM 827 SG CYS A 55 -5.084 0.962 -4.590 1.00 0.00 S ATOM 0 H CYS A 55 -2.292 0.648 -3.585 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.035 -0.530 -6.162 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.387 -0.838 -6.007 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -3.768 -1.028 -4.378 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.418 1.954 -4.077 1.00 0.00 H new ATOM 833 N GLU A 56 -2.962 2.615 -5.991 1.00 0.00 N ATOM 834 CA GLU A 56 -3.171 3.823 -6.781 1.00 0.00 C ATOM 835 C GLU A 56 -1.896 4.218 -7.520 1.00 0.00 C ATOM 836 O GLU A 56 -1.930 4.543 -8.707 1.00 0.00 O ATOM 837 CB GLU A 56 -3.630 4.973 -5.882 1.00 0.00 C ATOM 838 CG GLU A 56 -2.485 5.799 -5.319 1.00 0.00 C ATOM 839 CD GLU A 56 -2.966 6.985 -4.506 1.00 0.00 C ATOM 840 OE1 GLU A 56 -3.843 7.725 -4.998 1.00 0.00 O ATOM 841 OE2 GLU A 56 -2.466 7.173 -3.377 1.00 0.00 O ATOM 0 H GLU A 56 -2.968 2.764 -4.982 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.947 3.615 -7.518 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.292 5.626 -6.451 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.214 4.567 -5.056 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.858 5.164 -4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.861 6.154 -6.139 1.00 0.00 H new ATOM 848 N ARG A 57 -0.774 4.187 -6.809 1.00 0.00 N ATOM 849 CA ARG A 57 0.512 4.543 -7.397 1.00 0.00 C ATOM 850 C ARG A 57 0.658 3.943 -8.792 1.00 0.00 C ATOM 851 O ARG A 57 0.996 4.643 -9.746 1.00 0.00 O ATOM 852 CB ARG A 57 1.656 4.063 -6.502 1.00 0.00 C ATOM 853 CG ARG A 57 2.991 4.719 -6.816 1.00 0.00 C ATOM 854 CD ARG A 57 3.874 4.804 -5.581 1.00 0.00 C ATOM 855 NE ARG A 57 4.936 5.795 -5.734 1.00 0.00 N ATOM 856 CZ ARG A 57 6.055 5.573 -6.415 1.00 0.00 C ATOM 857 NH1 ARG A 57 6.257 4.401 -7.002 1.00 0.00 N ATOM 858 NH2 ARG A 57 6.975 6.524 -6.510 1.00 0.00 N ATOM 0 H ARG A 57 -0.729 3.919 -5.826 1.00 0.00 H new ATOM 0 HA ARG A 57 0.556 5.629 -7.481 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.399 4.261 -5.461 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.758 2.983 -6.605 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.503 4.151 -7.592 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.821 5.720 -7.213 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.263 5.059 -4.715 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.316 3.827 -5.383 1.00 0.00 H new ATOM 0 HE ARG A 57 4.812 6.707 -5.294 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.552 3.667 -6.931 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.117 4.234 -7.524 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.824 7.427 -6.060 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.834 6.352 -7.033 1.00 0.00 H new ATOM 872 N GLN A 58 0.400 2.644 -8.901 1.00 0.00 N ATOM 873 CA GLN A 58 0.503 1.950 -10.180 1.00 0.00 C ATOM 874 C GLN A 58 -0.809 2.033 -10.952 1.00 0.00 C ATOM 875 O GLN A 58 -0.819 2.307 -12.151 1.00 0.00 O ATOM 876 CB GLN A 58 0.888 0.486 -9.960 1.00 0.00 C ATOM 877 CG GLN A 58 2.127 0.306 -9.098 1.00 0.00 C ATOM 878 CD GLN A 58 3.291 1.159 -9.563 1.00 0.00 C ATOM 879 OE1 GLN A 58 3.321 1.619 -10.704 1.00 0.00 O ATOM 880 NE2 GLN A 58 4.258 1.375 -8.678 1.00 0.00 N ATOM 0 H GLN A 58 0.118 2.051 -8.120 1.00 0.00 H new ATOM 0 HA GLN A 58 1.280 2.438 -10.768 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.052 -0.035 -9.493 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.057 0.014 -10.928 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.886 0.559 -8.065 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.423 -0.743 -9.109 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.192 0.974 -7.742 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.066 1.942 -8.934 1.00 0.00 H new ATOM 889 N GLY A 59 -1.916 1.792 -10.255 1.00 0.00 N ATOM 890 CA GLY A 59 -3.219 1.844 -10.892 1.00 0.00 C ATOM 891 C GLY A 59 -3.847 0.472 -11.040 1.00 0.00 C ATOM 892 O GLY A 59 -4.566 0.211 -12.006 1.00 0.00 O ATOM 0 H GLY A 59 -1.933 1.562 -9.261 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.881 2.482 -10.307 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.121 2.303 -11.876 1.00 0.00 H new ATOM 896 N LEU A 60 -3.573 -0.408 -10.084 1.00 0.00 N ATOM 897 CA LEU A 60 -4.115 -1.762 -10.113 1.00 0.00 C ATOM 898 C LEU A 60 -5.320 -1.887 -9.185 1.00 0.00 C ATOM 899 O LEU A 60 -5.646 -0.958 -8.446 1.00 0.00 O ATOM 900 CB LEU A 60 -3.040 -2.772 -9.708 1.00 0.00 C ATOM 901 CG LEU A 60 -1.651 -2.551 -10.311 1.00 0.00 C ATOM 902 CD1 LEU A 60 -0.575 -3.095 -9.384 1.00 0.00 C ATOM 903 CD2 LEU A 60 -1.556 -3.201 -11.683 1.00 0.00 C ATOM 0 H LEU A 60 -2.979 -0.209 -9.279 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.440 -1.974 -11.132 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.949 -2.760 -8.622 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.382 -3.768 -9.988 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.492 -1.479 -10.428 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.406 -2.929 -9.829 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.629 -2.583 -8.423 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.730 -4.164 -9.234 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.562 -3.034 -12.097 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.735 -4.272 -11.591 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.303 -2.763 -12.345 1.00 0.00 H new ATOM 915 N SER A 61 -5.976 -3.042 -9.228 1.00 0.00 N ATOM 916 CA SER A 61 -7.146 -3.288 -8.393 1.00 0.00 C ATOM 917 C SER A 61 -6.736 -3.864 -7.041 1.00 0.00 C ATOM 918 O SER A 61 -5.868 -4.732 -6.961 1.00 0.00 O ATOM 919 CB SER A 61 -8.110 -4.245 -9.097 1.00 0.00 C ATOM 920 OG SER A 61 -8.592 -3.684 -10.306 1.00 0.00 O ATOM 0 H SER A 61 -5.717 -3.822 -9.832 1.00 0.00 H new ATOM 0 HA SER A 61 -7.649 -2.336 -8.226 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.604 -5.188 -9.306 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.948 -4.472 -8.438 1.00 0.00 H new ATOM 0 HG SER A 61 -9.205 -4.315 -10.738 1.00 0.00 H new ATOM 926 N MET A 62 -7.369 -3.374 -5.979 1.00 0.00 N ATOM 927 CA MET A 62 -7.072 -3.841 -4.630 1.00 0.00 C ATOM 928 C MET A 62 -7.357 -5.333 -4.496 1.00 0.00 C ATOM 929 O MET A 62 -6.781 -6.011 -3.645 1.00 0.00 O ATOM 930 CB MET A 62 -7.893 -3.058 -3.604 1.00 0.00 C ATOM 931 CG MET A 62 -7.220 -2.944 -2.246 1.00 0.00 C ATOM 932 SD MET A 62 -5.605 -2.148 -2.337 1.00 0.00 S ATOM 933 CE MET A 62 -5.622 -1.175 -0.833 1.00 0.00 C ATOM 0 H MET A 62 -8.090 -2.654 -6.027 1.00 0.00 H new ATOM 0 HA MET A 62 -6.012 -3.674 -4.440 1.00 0.00 H new ATOM 0 HB2 MET A 62 -8.084 -2.057 -3.991 1.00 0.00 H new ATOM 0 HB3 MET A 62 -8.862 -3.542 -3.481 1.00 0.00 H new ATOM 0 HG2 MET A 62 -7.863 -2.377 -1.573 1.00 0.00 H new ATOM 0 HG3 MET A 62 -7.107 -3.939 -1.816 1.00 0.00 H new ATOM 0 HE1 MET A 62 -4.783 -0.479 -0.840 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.556 -0.617 -0.771 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.537 -1.836 0.029 1.00 0.00 H new ATOM 943 N ARG A 63 -8.250 -5.839 -5.341 1.00 0.00 N ATOM 944 CA ARG A 63 -8.613 -7.250 -5.315 1.00 0.00 C ATOM 945 C ARG A 63 -7.591 -8.088 -6.077 1.00 0.00 C ATOM 946 O ARG A 63 -7.435 -9.281 -5.817 1.00 0.00 O ATOM 947 CB ARG A 63 -10.005 -7.452 -5.916 1.00 0.00 C ATOM 948 CG ARG A 63 -10.098 -7.060 -7.382 1.00 0.00 C ATOM 949 CD ARG A 63 -11.192 -7.835 -8.098 1.00 0.00 C ATOM 950 NE ARG A 63 -11.643 -7.154 -9.309 1.00 0.00 N ATOM 951 CZ ARG A 63 -12.476 -6.119 -9.303 1.00 0.00 C ATOM 952 NH1 ARG A 63 -12.946 -5.649 -8.156 1.00 0.00 N ATOM 953 NH2 ARG A 63 -12.840 -5.553 -10.446 1.00 0.00 N ATOM 0 H ARG A 63 -8.735 -5.292 -6.052 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.623 -7.578 -4.275 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.289 -8.499 -5.810 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.726 -6.867 -5.346 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.296 -5.991 -7.462 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.141 -7.244 -7.870 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.823 -8.828 -8.356 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.038 -7.975 -7.424 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.300 -7.491 -10.208 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -12.668 -6.082 -7.275 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -13.585 -4.854 -8.154 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.480 -5.912 -11.330 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.480 -4.758 -10.441 1.00 0.00 H new ATOM 967 N GLN A 64 -6.898 -7.456 -7.018 1.00 0.00 N ATOM 968 CA GLN A 64 -5.893 -8.144 -7.819 1.00 0.00 C ATOM 969 C GLN A 64 -4.611 -8.353 -7.020 1.00 0.00 C ATOM 970 O GLN A 64 -3.993 -9.416 -7.086 1.00 0.00 O ATOM 971 CB GLN A 64 -5.591 -7.349 -9.090 1.00 0.00 C ATOM 972 CG GLN A 64 -5.108 -8.210 -10.246 1.00 0.00 C ATOM 973 CD GLN A 64 -4.871 -7.409 -11.512 1.00 0.00 C ATOM 974 OE1 GLN A 64 -4.578 -6.214 -11.458 1.00 0.00 O ATOM 975 NE2 GLN A 64 -4.998 -8.064 -12.660 1.00 0.00 N ATOM 0 H GLN A 64 -7.014 -6.468 -7.245 1.00 0.00 H new ATOM 0 HA GLN A 64 -6.291 -9.120 -8.096 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.490 -6.815 -9.397 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.834 -6.597 -8.867 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.183 -8.711 -9.959 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.844 -8.989 -10.446 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.242 -9.054 -12.658 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.851 -7.577 -13.544 1.00 0.00 H new ATOM 984 N ILE A 65 -4.216 -7.333 -6.266 1.00 0.00 N ATOM 985 CA ILE A 65 -3.008 -7.406 -5.454 1.00 0.00 C ATOM 986 C ILE A 65 -3.347 -7.606 -3.980 1.00 0.00 C ATOM 987 O ILE A 65 -4.468 -7.336 -3.549 1.00 0.00 O ATOM 988 CB ILE A 65 -2.151 -6.135 -5.603 1.00 0.00 C ATOM 989 CG1 ILE A 65 -2.912 -4.916 -5.079 1.00 0.00 C ATOM 990 CG2 ILE A 65 -1.753 -5.933 -7.058 1.00 0.00 C ATOM 991 CD1 ILE A 65 -2.667 -4.635 -3.613 1.00 0.00 C ATOM 0 H ILE A 65 -4.715 -6.446 -6.201 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.438 -8.263 -5.814 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.243 -6.255 -5.011 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.625 -4.041 -5.661 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.980 -5.068 -5.238 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.148 -5.031 -7.148 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.176 -6.792 -7.400 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.649 -5.831 -7.670 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.238 -3.757 -3.310 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.981 -5.494 -3.020 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.605 -4.451 -3.450 1.00 0.00 H new ATOM 1003 N ARG A 66 -2.371 -8.079 -3.213 1.00 0.00 N ATOM 1004 CA ARG A 66 -2.566 -8.315 -1.787 1.00 0.00 C ATOM 1005 C ARG A 66 -1.329 -7.903 -0.994 1.00 0.00 C ATOM 1006 O ARG A 66 -0.268 -7.650 -1.566 1.00 0.00 O ATOM 1007 CB ARG A 66 -2.881 -9.790 -1.531 1.00 0.00 C ATOM 1008 CG ARG A 66 -4.362 -10.120 -1.619 1.00 0.00 C ATOM 1009 CD ARG A 66 -5.095 -9.739 -0.342 1.00 0.00 C ATOM 1010 NE ARG A 66 -6.498 -10.142 -0.376 1.00 0.00 N ATOM 1011 CZ ARG A 66 -7.440 -9.474 -1.032 1.00 0.00 C ATOM 1012 NH1 ARG A 66 -7.129 -8.375 -1.707 1.00 0.00 N ATOM 1013 NH2 ARG A 66 -8.695 -9.904 -1.015 1.00 0.00 N ATOM 0 H ARG A 66 -1.437 -8.307 -3.554 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.408 -7.708 -1.455 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.338 -10.400 -2.253 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.514 -10.065 -0.542 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.804 -9.593 -2.464 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.488 -11.186 -1.808 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.604 -10.207 0.511 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.031 -8.661 -0.195 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.770 -10.983 0.132 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.165 -8.042 -1.723 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.854 -7.863 -2.210 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.938 -10.749 -0.498 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.417 -9.390 -1.519 1.00 0.00 H new ATOM 1027 N PHE A 67 -1.473 -7.836 0.325 1.00 0.00 N ATOM 1028 CA PHE A 67 -0.369 -7.454 1.197 1.00 0.00 C ATOM 1029 C PHE A 67 -0.096 -8.536 2.237 1.00 0.00 C ATOM 1030 O PHE A 67 -0.985 -9.312 2.588 1.00 0.00 O ATOM 1031 CB PHE A 67 -0.678 -6.127 1.894 1.00 0.00 C ATOM 1032 CG PHE A 67 -0.872 -4.981 0.943 1.00 0.00 C ATOM 1033 CD1 PHE A 67 -2.004 -4.909 0.146 1.00 0.00 C ATOM 1034 CD2 PHE A 67 0.076 -3.975 0.847 1.00 0.00 C ATOM 1035 CE1 PHE A 67 -2.184 -3.856 -0.730 1.00 0.00 C ATOM 1036 CE2 PHE A 67 -0.100 -2.919 -0.028 1.00 0.00 C ATOM 1037 CZ PHE A 67 -1.232 -2.859 -0.816 1.00 0.00 C ATOM 0 H PHE A 67 -2.344 -8.042 0.814 1.00 0.00 H new ATOM 0 HA PHE A 67 0.522 -7.335 0.581 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.578 -6.244 2.498 1.00 0.00 H new ATOM 0 HB3 PHE A 67 0.136 -5.887 2.578 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.753 -5.684 0.211 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.962 -4.016 1.463 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.069 -3.812 -1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.647 -2.142 -0.095 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.373 -2.034 -1.498 1.00 0.00 H new ATOM 1047 N ARG A 68 1.139 -8.583 2.724 1.00 0.00 N ATOM 1048 CA ARG A 68 1.530 -9.571 3.722 1.00 0.00 C ATOM 1049 C ARG A 68 2.657 -9.038 4.602 1.00 0.00 C ATOM 1050 O ARG A 68 3.389 -8.129 4.210 1.00 0.00 O ATOM 1051 CB ARG A 68 1.971 -10.868 3.041 1.00 0.00 C ATOM 1052 CG ARG A 68 0.814 -11.776 2.656 1.00 0.00 C ATOM 1053 CD ARG A 68 1.239 -13.236 2.625 1.00 0.00 C ATOM 1054 NE ARG A 68 0.272 -14.073 1.920 1.00 0.00 N ATOM 1055 CZ ARG A 68 0.438 -15.375 1.716 1.00 0.00 C ATOM 1056 NH1 ARG A 68 1.527 -15.986 2.162 1.00 0.00 N ATOM 1057 NH2 ARG A 68 -0.487 -16.069 1.065 1.00 0.00 N ATOM 0 H ARG A 68 1.887 -7.948 2.444 1.00 0.00 H new ATOM 0 HA ARG A 68 0.665 -9.775 4.353 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.543 -10.623 2.146 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.641 -11.410 3.709 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.002 -11.648 3.367 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.432 -11.486 1.677 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.212 -13.320 2.141 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.358 -13.601 3.645 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.577 -13.634 1.565 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.240 -15.456 2.663 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.652 -16.986 2.004 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.326 -15.603 0.721 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.359 -17.069 0.909 1.00 0.00 H new ATOM 1071 N PHE A 69 2.790 -9.609 5.795 1.00 0.00 N ATOM 1072 CA PHE A 69 3.827 -9.191 6.731 1.00 0.00 C ATOM 1073 C PHE A 69 4.342 -10.379 7.538 1.00 0.00 C ATOM 1074 O PHE A 69 3.578 -11.051 8.231 1.00 0.00 O ATOM 1075 CB PHE A 69 3.287 -8.115 7.675 1.00 0.00 C ATOM 1076 CG PHE A 69 4.344 -7.491 8.540 1.00 0.00 C ATOM 1077 CD1 PHE A 69 5.401 -6.797 7.973 1.00 0.00 C ATOM 1078 CD2 PHE A 69 4.281 -7.598 9.920 1.00 0.00 C ATOM 1079 CE1 PHE A 69 6.376 -6.221 8.767 1.00 0.00 C ATOM 1080 CE2 PHE A 69 5.252 -7.024 10.719 1.00 0.00 C ATOM 1081 CZ PHE A 69 6.302 -6.336 10.141 1.00 0.00 C ATOM 0 H PHE A 69 2.193 -10.362 6.136 1.00 0.00 H new ATOM 0 HA PHE A 69 4.656 -8.778 6.156 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.804 -7.335 7.086 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.520 -8.554 8.313 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.464 -6.705 6.899 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.464 -8.136 10.377 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.194 -5.682 8.313 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.190 -7.113 11.794 1.00 0.00 H new ATOM 0 HZ PHE A 69 7.063 -5.889 10.763 1.00 0.00 H new ATOM 1091 N ASP A 70 5.643 -10.632 7.442 1.00 0.00 N ATOM 1092 CA ASP A 70 6.262 -11.738 8.163 1.00 0.00 C ATOM 1093 C ASP A 70 5.618 -13.067 7.776 1.00 0.00 C ATOM 1094 O ASP A 70 5.558 -13.996 8.580 1.00 0.00 O ATOM 1095 CB ASP A 70 6.145 -11.521 9.672 1.00 0.00 C ATOM 1096 CG ASP A 70 7.056 -12.440 10.462 1.00 0.00 C ATOM 1097 OD1 ASP A 70 8.140 -12.788 9.947 1.00 0.00 O ATOM 1098 OD2 ASP A 70 6.686 -12.811 11.596 1.00 0.00 O ATOM 0 H ASP A 70 6.289 -10.086 6.872 1.00 0.00 H new ATOM 0 HA ASP A 70 7.317 -11.772 7.890 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.387 -10.485 9.907 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.113 -11.685 9.981 1.00 0.00 H new ATOM 1103 N GLY A 71 5.138 -13.148 6.539 1.00 0.00 N ATOM 1104 CA GLY A 71 4.504 -14.366 6.068 1.00 0.00 C ATOM 1105 C GLY A 71 3.087 -14.518 6.584 1.00 0.00 C ATOM 1106 O GLY A 71 2.627 -15.633 6.829 1.00 0.00 O ATOM 0 H GLY A 71 5.177 -12.393 5.855 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.493 -14.368 4.978 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.096 -15.225 6.382 1.00 0.00 H new ATOM 1110 N GLN A 72 2.395 -13.396 6.750 1.00 0.00 N ATOM 1111 CA GLN A 72 1.023 -13.411 7.242 1.00 0.00 C ATOM 1112 C GLN A 72 0.180 -12.351 6.539 1.00 0.00 C ATOM 1113 O GLN A 72 0.642 -11.247 6.249 1.00 0.00 O ATOM 1114 CB GLN A 72 0.998 -13.177 8.754 1.00 0.00 C ATOM 1115 CG GLN A 72 1.630 -14.305 9.554 1.00 0.00 C ATOM 1116 CD GLN A 72 1.546 -14.078 11.050 1.00 0.00 C ATOM 1117 OE1 GLN A 72 0.477 -14.202 11.649 1.00 0.00 O ATOM 1118 NE2 GLN A 72 2.675 -13.744 11.663 1.00 0.00 N ATOM 0 H GLN A 72 2.762 -12.465 6.551 1.00 0.00 H new ATOM 0 HA GLN A 72 0.598 -14.391 7.025 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.520 -12.247 8.978 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.035 -13.048 9.077 1.00 0.00 H new ATOM 0 HG2 GLN A 72 1.135 -15.244 9.305 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.676 -14.409 9.264 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.538 -13.652 11.127 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.679 -13.579 12.670 1.00 0.00 H new ATOM 1127 N PRO A 73 -1.085 -12.693 6.256 1.00 0.00 N ATOM 1128 CA PRO A 73 -2.019 -11.785 5.583 1.00 0.00 C ATOM 1129 C PRO A 73 -2.430 -10.614 6.470 1.00 0.00 C ATOM 1130 O PRO A 73 -3.032 -10.806 7.527 1.00 0.00 O ATOM 1131 CB PRO A 73 -3.226 -12.677 5.282 1.00 0.00 C ATOM 1132 CG PRO A 73 -3.164 -13.757 6.306 1.00 0.00 C ATOM 1133 CD PRO A 73 -1.703 -13.992 6.572 1.00 0.00 C ATOM 0 HA PRO A 73 -1.577 -11.329 4.697 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.159 -12.118 5.353 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.175 -13.085 4.273 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.684 -13.461 7.217 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.646 -14.665 5.945 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.525 -14.280 7.608 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.304 -14.790 5.946 1.00 0.00 H new ATOM 1141 N ILE A 74 -2.101 -9.404 6.033 1.00 0.00 N ATOM 1142 CA ILE A 74 -2.438 -8.202 6.787 1.00 0.00 C ATOM 1143 C ILE A 74 -3.676 -7.523 6.213 1.00 0.00 C ATOM 1144 O ILE A 74 -3.916 -7.562 5.007 1.00 0.00 O ATOM 1145 CB ILE A 74 -1.271 -7.197 6.794 1.00 0.00 C ATOM 1146 CG1 ILE A 74 -0.536 -7.226 5.452 1.00 0.00 C ATOM 1147 CG2 ILE A 74 -0.314 -7.504 7.935 1.00 0.00 C ATOM 1148 CD1 ILE A 74 0.564 -6.193 5.344 1.00 0.00 C ATOM 0 H ILE A 74 -1.602 -9.229 5.161 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.641 -8.517 7.810 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.674 -6.196 6.944 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.108 -8.217 5.302 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.255 -7.064 4.649 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.505 -6.785 7.926 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.846 -7.437 8.884 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.086 -8.511 7.814 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.042 -6.271 4.367 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.140 -5.196 5.462 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.304 -6.367 6.125 1.00 0.00 H new ATOM 1160 N ASN A 75 -4.459 -6.898 7.087 1.00 0.00 N ATOM 1161 CA ASN A 75 -5.674 -6.207 6.667 1.00 0.00 C ATOM 1162 C ASN A 75 -5.519 -4.697 6.816 1.00 0.00 C ATOM 1163 O ASN A 75 -4.726 -4.221 7.627 1.00 0.00 O ATOM 1164 CB ASN A 75 -6.870 -6.692 7.489 1.00 0.00 C ATOM 1165 CG ASN A 75 -7.151 -8.168 7.285 1.00 0.00 C ATOM 1166 OD1 ASN A 75 -8.078 -8.542 6.566 1.00 0.00 O ATOM 1167 ND2 ASN A 75 -6.350 -9.016 7.919 1.00 0.00 N ATOM 0 H ASN A 75 -4.274 -6.856 8.089 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.848 -6.435 5.615 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.681 -6.503 8.546 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.754 -6.115 7.215 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.491 -10.021 7.820 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.594 -8.662 8.505 1.00 0.00 H new ATOM 1174 N GLU A 76 -6.284 -3.949 6.027 1.00 0.00 N ATOM 1175 CA GLU A 76 -6.232 -2.492 6.070 1.00 0.00 C ATOM 1176 C GLU A 76 -6.647 -1.974 7.444 1.00 0.00 C ATOM 1177 O GLU A 76 -6.064 -1.022 7.964 1.00 0.00 O ATOM 1178 CB GLU A 76 -7.139 -1.895 4.992 1.00 0.00 C ATOM 1179 CG GLU A 76 -8.549 -2.461 5.001 1.00 0.00 C ATOM 1180 CD GLU A 76 -9.458 -1.777 3.998 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -9.973 -0.683 4.314 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -9.655 -2.334 2.898 1.00 0.00 O ATOM 0 H GLU A 76 -6.947 -4.328 5.351 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.204 -2.184 5.880 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.189 -0.815 5.129 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.692 -2.072 4.014 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.510 -3.528 4.782 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.972 -2.356 6.000 1.00 0.00 H new ATOM 1189 N THR A 77 -7.660 -2.607 8.028 1.00 0.00 N ATOM 1190 CA THR A 77 -8.156 -2.210 9.340 1.00 0.00 C ATOM 1191 C THR A 77 -7.065 -2.327 10.398 1.00 0.00 C ATOM 1192 O THR A 77 -7.058 -1.586 11.381 1.00 0.00 O ATOM 1193 CB THR A 77 -9.363 -3.066 9.767 1.00 0.00 C ATOM 1194 OG1 THR A 77 -8.984 -4.445 9.840 1.00 0.00 O ATOM 1195 CG2 THR A 77 -10.516 -2.902 8.788 1.00 0.00 C ATOM 0 H THR A 77 -8.153 -3.397 7.613 1.00 0.00 H new ATOM 0 HA THR A 77 -8.469 -1.169 9.258 1.00 0.00 H new ATOM 0 HB THR A 77 -9.691 -2.728 10.750 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.756 -4.982 10.114 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.357 -3.516 9.110 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.821 -1.856 8.757 1.00 0.00 H new ATOM 0 HG23 THR A 77 -10.197 -3.216 7.794 1.00 0.00 H new ATOM 1203 N ASP A 78 -6.143 -3.260 10.189 1.00 0.00 N ATOM 1204 CA ASP A 78 -5.044 -3.473 11.125 1.00 0.00 C ATOM 1205 C ASP A 78 -4.041 -2.326 11.054 1.00 0.00 C ATOM 1206 O ASP A 78 -3.973 -1.606 10.058 1.00 0.00 O ATOM 1207 CB ASP A 78 -4.344 -4.800 10.830 1.00 0.00 C ATOM 1208 CG ASP A 78 -4.959 -5.961 11.586 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -5.948 -6.537 11.085 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -4.452 -6.293 12.677 1.00 0.00 O ATOM 0 H ASP A 78 -6.134 -3.881 9.380 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.458 -3.507 12.133 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.391 -5.002 9.760 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.289 -4.717 11.093 1.00 0.00 H new ATOM 1215 N THR A 79 -3.262 -2.161 12.119 1.00 0.00 N ATOM 1216 CA THR A 79 -2.263 -1.101 12.179 1.00 0.00 C ATOM 1217 C THR A 79 -0.853 -1.677 12.230 1.00 0.00 C ATOM 1218 O THR A 79 -0.642 -2.838 12.581 1.00 0.00 O ATOM 1219 CB THR A 79 -2.479 -0.194 13.405 1.00 0.00 C ATOM 1220 OG1 THR A 79 -3.030 -0.955 14.486 1.00 0.00 O ATOM 1221 CG2 THR A 79 -3.409 0.961 13.066 1.00 0.00 C ATOM 0 H THR A 79 -3.304 -2.748 12.952 1.00 0.00 H new ATOM 0 HA THR A 79 -2.378 -0.507 11.272 1.00 0.00 H new ATOM 0 HB THR A 79 -1.513 0.213 13.703 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.163 -0.372 15.262 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.547 1.588 13.947 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.974 1.555 12.262 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.374 0.569 12.745 1.00 0.00 H new ATOM 1229 N PRO A 80 0.139 -0.848 11.871 1.00 0.00 N ATOM 1230 CA PRO A 80 1.548 -1.253 11.869 1.00 0.00 C ATOM 1231 C PRO A 80 2.095 -1.457 13.278 1.00 0.00 C ATOM 1232 O PRO A 80 3.132 -2.092 13.465 1.00 0.00 O ATOM 1233 CB PRO A 80 2.253 -0.079 11.186 1.00 0.00 C ATOM 1234 CG PRO A 80 1.364 1.091 11.429 1.00 0.00 C ATOM 1235 CD PRO A 80 -0.039 0.549 11.442 1.00 0.00 C ATOM 0 HA PRO A 80 1.697 -2.208 11.366 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.246 0.085 11.605 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.384 -0.262 10.119 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.605 1.574 12.376 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.485 1.842 10.648 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.677 1.103 12.131 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.503 0.611 10.458 1.00 0.00 H new ATOM 1243 N ALA A 81 1.390 -0.914 14.265 1.00 0.00 N ATOM 1244 CA ALA A 81 1.805 -1.038 15.657 1.00 0.00 C ATOM 1245 C ALA A 81 1.346 -2.367 16.250 1.00 0.00 C ATOM 1246 O ALA A 81 1.954 -2.880 17.188 1.00 0.00 O ATOM 1247 CB ALA A 81 1.260 0.123 16.476 1.00 0.00 C ATOM 0 H ALA A 81 0.529 -0.384 14.127 1.00 0.00 H new ATOM 0 HA ALA A 81 2.894 -1.012 15.689 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.578 0.017 17.513 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.640 1.062 16.074 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.171 0.122 16.428 1.00 0.00 H new ATOM 1253 N GLN A 82 0.270 -2.916 15.696 1.00 0.00 N ATOM 1254 CA GLN A 82 -0.270 -4.184 16.171 1.00 0.00 C ATOM 1255 C GLN A 82 0.625 -5.347 15.756 1.00 0.00 C ATOM 1256 O GLN A 82 0.725 -6.351 16.463 1.00 0.00 O ATOM 1257 CB GLN A 82 -1.685 -4.395 15.630 1.00 0.00 C ATOM 1258 CG GLN A 82 -2.477 -5.447 16.390 1.00 0.00 C ATOM 1259 CD GLN A 82 -3.975 -5.265 16.250 1.00 0.00 C ATOM 1260 OE1 GLN A 82 -4.587 -4.483 16.978 1.00 0.00 O ATOM 1261 NE2 GLN A 82 -4.575 -5.987 15.310 1.00 0.00 N ATOM 0 H GLN A 82 -0.245 -2.503 14.918 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.307 -4.149 17.260 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.224 -3.449 15.668 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.624 -4.685 14.581 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -2.200 -6.437 16.027 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.207 -5.407 17.445 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.029 -6.623 14.729 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -5.582 -5.905 15.169 1.00 0.00 H new ATOM 1270 N LEU A 83 1.273 -5.206 14.605 1.00 0.00 N ATOM 1271 CA LEU A 83 2.160 -6.246 14.095 1.00 0.00 C ATOM 1272 C LEU A 83 3.617 -5.922 14.411 1.00 0.00 C ATOM 1273 O LEU A 83 4.531 -6.454 13.782 1.00 0.00 O ATOM 1274 CB LEU A 83 1.977 -6.404 12.584 1.00 0.00 C ATOM 1275 CG LEU A 83 0.535 -6.540 12.094 1.00 0.00 C ATOM 1276 CD1 LEU A 83 0.438 -6.189 10.617 1.00 0.00 C ATOM 1277 CD2 LEU A 83 0.018 -7.950 12.343 1.00 0.00 C ATOM 0 H LEU A 83 1.201 -4.382 14.008 1.00 0.00 H new ATOM 0 HA LEU A 83 1.901 -7.184 14.586 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.427 -5.542 12.091 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.534 -7.283 12.261 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.086 -5.842 12.655 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.595 -6.291 10.286 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.768 -5.161 10.465 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.072 -6.862 10.041 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.010 -8.029 11.988 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.642 -8.666 11.809 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.051 -8.166 13.411 1.00 0.00 H new ATOM 1289 N GLU A 84 3.824 -5.048 15.391 1.00 0.00 N ATOM 1290 CA GLU A 84 5.170 -4.655 15.790 1.00 0.00 C ATOM 1291 C GLU A 84 6.022 -4.313 14.571 1.00 0.00 C ATOM 1292 O GLU A 84 7.199 -4.666 14.505 1.00 0.00 O ATOM 1293 CB GLU A 84 5.836 -5.776 16.592 1.00 0.00 C ATOM 1294 CG GLU A 84 5.136 -6.082 17.906 1.00 0.00 C ATOM 1295 CD GLU A 84 5.348 -7.514 18.360 1.00 0.00 C ATOM 1296 OE1 GLU A 84 6.343 -7.771 19.070 1.00 0.00 O ATOM 1297 OE2 GLU A 84 4.518 -8.377 18.005 1.00 0.00 O ATOM 0 H GLU A 84 3.078 -4.599 15.922 1.00 0.00 H new ATOM 0 HA GLU A 84 5.090 -3.767 16.417 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.862 -6.680 15.984 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.870 -5.500 16.797 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.503 -5.403 18.676 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.068 -5.894 17.797 1.00 0.00 H new ATOM 1304 N MET A 85 5.417 -3.623 13.610 1.00 0.00 N ATOM 1305 CA MET A 85 6.120 -3.232 12.393 1.00 0.00 C ATOM 1306 C MET A 85 7.297 -2.317 12.715 1.00 0.00 C ATOM 1307 O MET A 85 7.121 -1.118 12.928 1.00 0.00 O ATOM 1308 CB MET A 85 5.162 -2.531 11.428 1.00 0.00 C ATOM 1309 CG MET A 85 4.079 -3.444 10.876 1.00 0.00 C ATOM 1310 SD MET A 85 3.326 -2.797 9.371 1.00 0.00 S ATOM 1311 CE MET A 85 3.487 -4.207 8.278 1.00 0.00 C ATOM 0 H MET A 85 4.443 -3.323 13.650 1.00 0.00 H new ATOM 0 HA MET A 85 6.505 -4.135 11.919 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.692 -1.692 11.941 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.734 -2.117 10.598 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.506 -4.426 10.671 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.307 -3.584 11.633 1.00 0.00 H new ATOM 0 HE1 MET A 85 2.779 -4.112 7.455 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.501 -4.246 7.881 1.00 0.00 H new ATOM 0 HE3 MET A 85 3.279 -5.122 8.832 1.00 0.00 H new ATOM 1321 N GLU A 86 8.495 -2.891 12.749 1.00 0.00 N ATOM 1322 CA GLU A 86 9.700 -2.125 13.047 1.00 0.00 C ATOM 1323 C GLU A 86 10.107 -1.266 11.853 1.00 0.00 C ATOM 1324 O GLU A 86 9.608 -1.451 10.743 1.00 0.00 O ATOM 1325 CB GLU A 86 10.846 -3.063 13.429 1.00 0.00 C ATOM 1326 CG GLU A 86 10.642 -3.762 14.763 1.00 0.00 C ATOM 1327 CD GLU A 86 11.829 -4.618 15.160 1.00 0.00 C ATOM 1328 OE1 GLU A 86 12.141 -5.579 14.426 1.00 0.00 O ATOM 1329 OE2 GLU A 86 12.447 -4.326 16.206 1.00 0.00 O ATOM 0 H GLU A 86 8.657 -3.883 12.574 1.00 0.00 H new ATOM 0 HA GLU A 86 9.483 -1.467 13.889 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.964 -3.815 12.649 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.774 -2.493 13.465 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.462 -3.015 15.537 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.750 -4.386 14.709 1.00 0.00 H new ATOM 1336 N ASP A 87 11.016 -0.326 12.091 1.00 0.00 N ATOM 1337 CA ASP A 87 11.491 0.562 11.036 1.00 0.00 C ATOM 1338 C ASP A 87 12.296 -0.212 9.996 1.00 0.00 C ATOM 1339 O ASP A 87 12.696 -1.351 10.230 1.00 0.00 O ATOM 1340 CB ASP A 87 12.346 1.683 11.630 1.00 0.00 C ATOM 1341 CG ASP A 87 13.457 1.155 12.517 1.00 0.00 C ATOM 1342 OD1 ASP A 87 14.480 0.690 11.973 1.00 0.00 O ATOM 1343 OD2 ASP A 87 13.303 1.209 13.755 1.00 0.00 O ATOM 0 H ASP A 87 11.438 -0.160 13.004 1.00 0.00 H new ATOM 0 HA ASP A 87 10.622 1.000 10.545 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.779 2.273 10.822 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.710 2.353 12.209 1.00 0.00 H new ATOM 1348 N GLU A 88 12.527 0.416 8.848 1.00 0.00 N ATOM 1349 CA GLU A 88 13.283 -0.215 7.772 1.00 0.00 C ATOM 1350 C GLU A 88 12.740 -1.609 7.471 1.00 0.00 C ATOM 1351 O GLU A 88 13.474 -2.490 7.024 1.00 0.00 O ATOM 1352 CB GLU A 88 14.765 -0.302 8.142 1.00 0.00 C ATOM 1353 CG GLU A 88 15.408 1.050 8.401 1.00 0.00 C ATOM 1354 CD GLU A 88 16.747 0.934 9.104 1.00 0.00 C ATOM 1355 OE1 GLU A 88 16.765 0.505 10.277 1.00 0.00 O ATOM 1356 OE2 GLU A 88 17.775 1.273 8.482 1.00 0.00 O ATOM 0 H GLU A 88 12.202 1.360 8.639 1.00 0.00 H new ATOM 0 HA GLU A 88 13.175 0.399 6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.873 -0.923 9.032 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.303 -0.803 7.337 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.543 1.571 7.453 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.736 1.658 9.006 1.00 0.00 H new ATOM 1363 N ASP A 89 11.449 -1.801 7.719 1.00 0.00 N ATOM 1364 CA ASP A 89 10.806 -3.087 7.475 1.00 0.00 C ATOM 1365 C ASP A 89 10.575 -3.304 5.983 1.00 0.00 C ATOM 1366 O ASP A 89 10.986 -2.490 5.154 1.00 0.00 O ATOM 1367 CB ASP A 89 9.476 -3.167 8.227 1.00 0.00 C ATOM 1368 CG ASP A 89 9.634 -3.740 9.621 1.00 0.00 C ATOM 1369 OD1 ASP A 89 10.748 -3.650 10.178 1.00 0.00 O ATOM 1370 OD2 ASP A 89 8.642 -4.278 10.157 1.00 0.00 O ATOM 0 H ASP A 89 10.827 -1.082 8.089 1.00 0.00 H new ATOM 0 HA ASP A 89 11.468 -3.872 7.840 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.039 -2.171 8.294 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.778 -3.784 7.661 1.00 0.00 H new ATOM 1375 N THR A 90 9.914 -4.407 5.646 1.00 0.00 N ATOM 1376 CA THR A 90 9.630 -4.733 4.254 1.00 0.00 C ATOM 1377 C THR A 90 8.302 -5.468 4.121 1.00 0.00 C ATOM 1378 O THR A 90 8.071 -6.478 4.787 1.00 0.00 O ATOM 1379 CB THR A 90 10.747 -5.599 3.640 1.00 0.00 C ATOM 1380 OG1 THR A 90 11.991 -4.892 3.678 1.00 0.00 O ATOM 1381 CG2 THR A 90 10.413 -5.974 2.204 1.00 0.00 C ATOM 0 H THR A 90 9.565 -5.090 6.319 1.00 0.00 H new ATOM 0 HA THR A 90 9.575 -3.788 3.714 1.00 0.00 H new ATOM 0 HB THR A 90 10.832 -6.514 4.227 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.696 -5.449 3.288 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.216 -6.585 1.791 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.480 -6.538 2.183 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.303 -5.068 1.608 1.00 0.00 H new ATOM 1389 N ILE A 91 7.431 -4.957 3.258 1.00 0.00 N ATOM 1390 CA ILE A 91 6.126 -5.567 3.037 1.00 0.00 C ATOM 1391 C ILE A 91 6.135 -6.450 1.794 1.00 0.00 C ATOM 1392 O ILE A 91 6.924 -6.236 0.874 1.00 0.00 O ATOM 1393 CB ILE A 91 5.024 -4.501 2.888 1.00 0.00 C ATOM 1394 CG1 ILE A 91 5.199 -3.404 3.940 1.00 0.00 C ATOM 1395 CG2 ILE A 91 3.649 -5.141 3.005 1.00 0.00 C ATOM 1396 CD1 ILE A 91 4.087 -2.378 3.934 1.00 0.00 C ATOM 0 H ILE A 91 7.606 -4.121 2.700 1.00 0.00 H new ATOM 0 HA ILE A 91 5.912 -6.179 3.913 1.00 0.00 H new ATOM 0 HB ILE A 91 5.109 -4.047 1.901 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.253 -3.864 4.927 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.150 -2.898 3.771 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.881 -4.375 2.898 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.528 -5.889 2.221 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.552 -5.618 3.980 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.277 -1.631 4.705 1.00 0.00 H new ATOM 0 HD12 ILE A 91 4.046 -1.891 2.960 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.136 -2.871 4.133 1.00 0.00 H new ATOM 1408 N ASP A 92 5.252 -7.442 1.774 1.00 0.00 N ATOM 1409 CA ASP A 92 5.155 -8.357 0.643 1.00 0.00 C ATOM 1410 C ASP A 92 3.835 -8.169 -0.098 1.00 0.00 C ATOM 1411 O ASP A 92 2.759 -8.322 0.481 1.00 0.00 O ATOM 1412 CB ASP A 92 5.286 -9.805 1.118 1.00 0.00 C ATOM 1413 CG ASP A 92 5.903 -10.706 0.067 1.00 0.00 C ATOM 1414 OD1 ASP A 92 5.400 -10.715 -1.076 1.00 0.00 O ATOM 1415 OD2 ASP A 92 6.889 -11.403 0.387 1.00 0.00 O ATOM 0 H ASP A 92 4.593 -7.633 2.529 1.00 0.00 H new ATOM 0 HA ASP A 92 5.971 -8.133 -0.044 1.00 0.00 H new ATOM 0 HB2 ASP A 92 5.896 -9.834 2.021 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.301 -10.187 1.386 1.00 0.00 H new ATOM 1420 N VAL A 93 3.925 -7.834 -1.381 1.00 0.00 N ATOM 1421 CA VAL A 93 2.737 -7.624 -2.201 1.00 0.00 C ATOM 1422 C VAL A 93 2.879 -8.305 -3.558 1.00 0.00 C ATOM 1423 O VAL A 93 3.988 -8.473 -4.067 1.00 0.00 O ATOM 1424 CB VAL A 93 2.463 -6.124 -2.418 1.00 0.00 C ATOM 1425 CG1 VAL A 93 1.373 -5.926 -3.461 1.00 0.00 C ATOM 1426 CG2 VAL A 93 2.083 -5.457 -1.105 1.00 0.00 C ATOM 0 H VAL A 93 4.808 -7.702 -1.875 1.00 0.00 H new ATOM 0 HA VAL A 93 1.898 -8.065 -1.662 1.00 0.00 H new ATOM 0 HB VAL A 93 3.375 -5.655 -2.787 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.193 -4.860 -3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.689 -6.368 -4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.455 -6.408 -3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.893 -4.398 -1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.184 -5.927 -0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.899 -5.568 -0.391 1.00 0.00 H new ATOM 1436 N PHE A 94 1.750 -8.695 -4.139 1.00 0.00 N ATOM 1437 CA PHE A 94 1.748 -9.358 -5.438 1.00 0.00 C ATOM 1438 C PHE A 94 1.066 -8.490 -6.491 1.00 0.00 C ATOM 1439 O PHE A 94 -0.151 -8.306 -6.465 1.00 0.00 O ATOM 1440 CB PHE A 94 1.041 -10.712 -5.341 1.00 0.00 C ATOM 1441 CG PHE A 94 1.479 -11.534 -4.163 1.00 0.00 C ATOM 1442 CD1 PHE A 94 1.081 -11.197 -2.879 1.00 0.00 C ATOM 1443 CD2 PHE A 94 2.288 -12.645 -4.339 1.00 0.00 C ATOM 1444 CE1 PHE A 94 1.483 -11.951 -1.794 1.00 0.00 C ATOM 1445 CE2 PHE A 94 2.693 -13.404 -3.257 1.00 0.00 C ATOM 1446 CZ PHE A 94 2.289 -13.057 -1.983 1.00 0.00 C ATOM 0 H PHE A 94 0.824 -8.564 -3.731 1.00 0.00 H new ATOM 0 HA PHE A 94 2.784 -9.517 -5.739 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.035 -10.548 -5.279 1.00 0.00 H new ATOM 0 HB3 PHE A 94 1.225 -11.275 -6.256 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.449 -10.335 -2.725 1.00 0.00 H new ATOM 0 HD2 PHE A 94 2.606 -12.921 -5.333 1.00 0.00 H new ATOM 0 HE1 PHE A 94 1.167 -11.676 -0.798 1.00 0.00 H new ATOM 0 HE2 PHE A 94 3.324 -14.267 -3.408 1.00 0.00 H new ATOM 0 HZ PHE A 94 2.603 -13.649 -1.136 1.00 0.00 H new ATOM 1456 N GLN A 95 1.860 -7.958 -7.415 1.00 0.00 N ATOM 1457 CA GLN A 95 1.333 -7.108 -8.476 1.00 0.00 C ATOM 1458 C GLN A 95 1.107 -7.910 -9.754 1.00 0.00 C ATOM 1459 O GLN A 95 2.056 -8.250 -10.459 1.00 0.00 O ATOM 1460 CB GLN A 95 2.291 -5.947 -8.751 1.00 0.00 C ATOM 1461 CG GLN A 95 2.036 -4.729 -7.879 1.00 0.00 C ATOM 1462 CD GLN A 95 2.559 -3.448 -8.498 1.00 0.00 C ATOM 1463 OE1 GLN A 95 2.360 -3.192 -9.686 1.00 0.00 O ATOM 1464 NE2 GLN A 95 3.233 -2.634 -7.694 1.00 0.00 N ATOM 0 H GLN A 95 2.869 -8.100 -7.450 1.00 0.00 H new ATOM 0 HA GLN A 95 0.374 -6.708 -8.145 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.315 -6.287 -8.595 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.207 -5.658 -9.799 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.965 -4.632 -7.702 1.00 0.00 H new ATOM 0 HG3 GLN A 95 2.507 -4.877 -6.907 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.375 -2.886 -6.716 1.00 0.00 H new ATOM 0 HE22 GLN A 95 3.609 -1.757 -8.055 1.00 0.00 H new