USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=14 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 75 ASN : amide:sc= -6.39! C(o=-6.5!,f=-7.3!) USER MOD Set 1.2: A 77 THR OG1 : rot 180:sc= -0.0975 USER MOD Set 2.1: A 54 TYR OH : rot 180:sc= -0.504 USER MOD Set 2.2: A 95 GLN : amide:sc= -1.2! C(o=-1.7!,f=-2.7!) USER MOD Set 3.1: A 42 LYS NZ :NH3+ -126:sc= -0.199 (180deg=-0.451) USER MOD Set 3.2: A 45 THR OG1 : rot -162:sc= -0.655 USER MOD Set 4.1: A 26 ASN : amide:sc= -1.13 K(o=-1.2,f=-2.8!) USER MOD Set 4.2: A 40 LYS NZ :NH3+ 157:sc= -0.0505 (180deg=-0.42) USER MOD Single : A 24 HIS : no HD1:sc= -0.536 X(o=-0.54,f=-0.078) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 44 HIS : no HE2:sc= -0.345 K(o=-0.35,f=-1.6) USER MOD Single : A 48 SER OG : rot 180:sc= -0.288 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -146:sc= -0.0502 (180deg=-1.01) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 CYS SG : rot 153:sc= 0.348 USER MOD Single : A 58 GLN : amide:sc= -1.28 K(o=-1.3,f=-3.4!) USER MOD Single : A 61 SER OG : rot 130:sc= -0.835 USER MOD Single : A 62 MET CE :methyl 148:sc= 0 (180deg=-1.35) USER MOD Single : A 64 GLN : amide:sc= -0.465 X(o=-0.47,f=-0.001) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.00292 USER MOD Single : A 82 GLN : amide:sc= -3.2! C(o=-3.2!,f=-6.5!) USER MOD Single : A 85 MET CE :methyl -169:sc= -6.9! (180deg=-7.79!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 307 N HIS A 24 7.676 8.051 12.902 1.00 0.00 N ATOM 308 CA HIS A 24 7.061 7.254 11.847 1.00 0.00 C ATOM 309 C HIS A 24 8.003 6.148 11.382 1.00 0.00 C ATOM 310 O HIS A 24 9.215 6.224 11.587 1.00 0.00 O ATOM 311 CB HIS A 24 6.677 8.144 10.664 1.00 0.00 C ATOM 312 CG HIS A 24 5.991 9.412 11.066 1.00 0.00 C ATOM 313 ND1 HIS A 24 4.644 9.635 10.869 1.00 0.00 N ATOM 314 CD2 HIS A 24 6.472 10.529 11.661 1.00 0.00 C ATOM 315 CE1 HIS A 24 4.327 10.834 11.322 1.00 0.00 C ATOM 316 NE2 HIS A 24 5.418 11.398 11.808 1.00 0.00 N ATOM 0 HA HIS A 24 6.160 6.793 12.252 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.576 8.390 10.099 1.00 0.00 H new ATOM 0 HB3 HIS A 24 6.024 7.583 9.995 1.00 0.00 H new ATOM 0 HD2 HIS A 24 7.494 10.704 11.964 1.00 0.00 H new ATOM 0 HE1 HIS A 24 3.343 11.278 11.299 1.00 0.00 H new ATOM 0 HE2 HIS A 24 5.470 12.328 12.225 1.00 0.00 H new ATOM 325 N ILE A 25 7.439 5.121 10.756 1.00 0.00 N ATOM 326 CA ILE A 25 8.229 3.999 10.262 1.00 0.00 C ATOM 327 C ILE A 25 8.096 3.857 8.750 1.00 0.00 C ATOM 328 O ILE A 25 7.075 4.222 8.169 1.00 0.00 O ATOM 329 CB ILE A 25 7.808 2.677 10.930 1.00 0.00 C ATOM 330 CG1 ILE A 25 6.412 2.264 10.458 1.00 0.00 C ATOM 331 CG2 ILE A 25 7.842 2.814 12.445 1.00 0.00 C ATOM 332 CD1 ILE A 25 5.801 1.152 11.282 1.00 0.00 C ATOM 0 H ILE A 25 6.438 5.042 10.579 1.00 0.00 H new ATOM 0 HA ILE A 25 9.268 4.209 10.515 1.00 0.00 H new ATOM 0 HB ILE A 25 8.514 1.899 10.640 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.754 3.133 10.490 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.468 1.945 9.417 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.542 1.871 12.902 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.853 3.067 12.765 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.156 3.602 12.755 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.812 0.911 10.891 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.437 0.269 11.230 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.712 1.474 12.319 1.00 0.00 H new ATOM 344 N ASN A 26 9.135 3.322 8.118 1.00 0.00 N ATOM 345 CA ASN A 26 9.135 3.130 6.672 1.00 0.00 C ATOM 346 C ASN A 26 9.208 1.647 6.320 1.00 0.00 C ATOM 347 O ASN A 26 10.056 0.917 6.834 1.00 0.00 O ATOM 348 CB ASN A 26 10.311 3.874 6.037 1.00 0.00 C ATOM 349 CG ASN A 26 10.074 5.370 5.960 1.00 0.00 C ATOM 350 OD1 ASN A 26 9.644 5.890 4.930 1.00 0.00 O ATOM 351 ND2 ASN A 26 10.356 6.071 7.053 1.00 0.00 N ATOM 0 H ASN A 26 9.988 3.014 8.584 1.00 0.00 H new ATOM 0 HA ASN A 26 8.203 3.534 6.278 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.215 3.681 6.615 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.485 3.484 5.034 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.218 7.082 7.060 1.00 0.00 H new ATOM 0 HD22 ASN A 26 10.710 5.599 7.885 1.00 0.00 H new ATOM 358 N LEU A 27 8.313 1.209 5.441 1.00 0.00 N ATOM 359 CA LEU A 27 8.276 -0.187 5.020 1.00 0.00 C ATOM 360 C LEU A 27 8.531 -0.310 3.521 1.00 0.00 C ATOM 361 O LEU A 27 7.918 0.391 2.716 1.00 0.00 O ATOM 362 CB LEU A 27 6.924 -0.811 5.371 1.00 0.00 C ATOM 363 CG LEU A 27 6.226 -0.246 6.609 1.00 0.00 C ATOM 364 CD1 LEU A 27 4.828 -0.829 6.746 1.00 0.00 C ATOM 365 CD2 LEU A 27 7.047 -0.526 7.859 1.00 0.00 C ATOM 0 H LEU A 27 7.604 1.800 5.007 1.00 0.00 H new ATOM 0 HA LEU A 27 9.064 -0.721 5.550 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.258 -0.691 4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.067 -1.882 5.516 1.00 0.00 H new ATOM 0 HG LEU A 27 6.137 0.834 6.491 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.347 -0.416 7.632 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.241 -0.577 5.863 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.893 -1.913 6.841 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.535 -0.117 8.730 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.168 -1.602 7.982 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.027 -0.060 7.762 1.00 0.00 H new ATOM 377 N LYS A 28 9.439 -1.208 3.152 1.00 0.00 N ATOM 378 CA LYS A 28 9.774 -1.427 1.750 1.00 0.00 C ATOM 379 C LYS A 28 8.941 -2.562 1.163 1.00 0.00 C ATOM 380 O LYS A 28 9.047 -3.711 1.594 1.00 0.00 O ATOM 381 CB LYS A 28 11.264 -1.744 1.604 1.00 0.00 C ATOM 382 CG LYS A 28 12.173 -0.616 2.059 1.00 0.00 C ATOM 383 CD LYS A 28 13.549 -1.131 2.446 1.00 0.00 C ATOM 384 CE LYS A 28 14.208 -0.235 3.483 1.00 0.00 C ATOM 385 NZ LYS A 28 15.642 -0.584 3.687 1.00 0.00 N ATOM 0 H LYS A 28 9.956 -1.796 3.805 1.00 0.00 H new ATOM 0 HA LYS A 28 9.548 -0.513 1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.494 -2.640 2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.478 -1.973 0.560 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.270 0.119 1.260 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.722 -0.105 2.910 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.462 -2.143 2.841 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.180 -1.188 1.559 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.129 0.805 3.167 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.675 -0.322 4.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.055 0.049 4.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.717 -1.569 4.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.157 -0.476 2.790 1.00 0.00 H new ATOM 399 N VAL A 29 8.114 -2.234 0.176 1.00 0.00 N ATOM 400 CA VAL A 29 7.265 -3.227 -0.473 1.00 0.00 C ATOM 401 C VAL A 29 7.933 -3.788 -1.723 1.00 0.00 C ATOM 402 O VAL A 29 8.434 -3.039 -2.561 1.00 0.00 O ATOM 403 CB VAL A 29 5.898 -2.631 -0.857 1.00 0.00 C ATOM 404 CG1 VAL A 29 4.995 -3.704 -1.448 1.00 0.00 C ATOM 405 CG2 VAL A 29 5.244 -1.977 0.350 1.00 0.00 C ATOM 0 H VAL A 29 8.013 -1.288 -0.192 1.00 0.00 H new ATOM 0 HA VAL A 29 7.112 -4.032 0.246 1.00 0.00 H new ATOM 0 HB VAL A 29 6.055 -1.864 -1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.033 -3.265 -1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.462 -4.122 -2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.842 -4.495 -0.714 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.279 -1.561 0.060 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.098 -2.721 1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.886 -1.179 0.724 1.00 0.00 H new ATOM 415 N ALA A 30 7.936 -5.112 -1.843 1.00 0.00 N ATOM 416 CA ALA A 30 8.539 -5.774 -2.993 1.00 0.00 C ATOM 417 C ALA A 30 7.473 -6.367 -3.907 1.00 0.00 C ATOM 418 O ALA A 30 6.472 -6.908 -3.440 1.00 0.00 O ATOM 419 CB ALA A 30 9.504 -6.857 -2.532 1.00 0.00 C ATOM 0 H ALA A 30 7.527 -5.747 -1.157 1.00 0.00 H new ATOM 0 HA ALA A 30 9.093 -5.027 -3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.947 -7.343 -3.401 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.291 -6.409 -1.926 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.965 -7.596 -1.938 1.00 0.00 H new ATOM 479 N VAL A 36 10.552 -1.731 -5.898 1.00 0.00 N ATOM 480 CA VAL A 36 10.493 -1.517 -4.457 1.00 0.00 C ATOM 481 C VAL A 36 9.826 -0.187 -4.126 1.00 0.00 C ATOM 482 O VAL A 36 10.354 0.880 -4.443 1.00 0.00 O ATOM 483 CB VAL A 36 11.898 -1.546 -3.828 1.00 0.00 C ATOM 484 CG1 VAL A 36 11.814 -1.331 -2.324 1.00 0.00 C ATOM 485 CG2 VAL A 36 12.599 -2.857 -4.149 1.00 0.00 C ATOM 0 HA VAL A 36 9.900 -2.331 -4.040 1.00 0.00 H new ATOM 0 HB VAL A 36 12.485 -0.733 -4.255 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.816 -1.355 -1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.355 -0.364 -2.120 1.00 0.00 H new ATOM 0 HG13 VAL A 36 11.210 -2.121 -1.877 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.591 -2.860 -3.696 1.00 0.00 H new ATOM 0 HG22 VAL A 36 12.016 -3.688 -3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.693 -2.964 -5.230 1.00 0.00 H new ATOM 495 N VAL A 37 8.663 -0.257 -3.486 1.00 0.00 N ATOM 496 CA VAL A 37 7.924 0.943 -3.110 1.00 0.00 C ATOM 497 C VAL A 37 7.916 1.131 -1.598 1.00 0.00 C ATOM 498 O VAL A 37 7.484 0.250 -0.855 1.00 0.00 O ATOM 499 CB VAL A 37 6.471 0.889 -3.618 1.00 0.00 C ATOM 500 CG1 VAL A 37 5.840 2.272 -3.577 1.00 0.00 C ATOM 501 CG2 VAL A 37 6.420 0.311 -5.025 1.00 0.00 C ATOM 0 H VAL A 37 8.212 -1.132 -3.217 1.00 0.00 H new ATOM 0 HA VAL A 37 8.432 1.787 -3.575 1.00 0.00 H new ATOM 0 HB VAL A 37 5.898 0.235 -2.961 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.814 2.215 -3.939 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.843 2.643 -2.552 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.411 2.951 -4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.386 0.280 -5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.007 0.937 -5.697 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.831 -0.699 -5.019 1.00 0.00 H new ATOM 511 N GLN A 38 8.396 2.286 -1.148 1.00 0.00 N ATOM 512 CA GLN A 38 8.443 2.590 0.277 1.00 0.00 C ATOM 513 C GLN A 38 7.204 3.366 0.710 1.00 0.00 C ATOM 514 O GLN A 38 6.524 3.979 -0.113 1.00 0.00 O ATOM 515 CB GLN A 38 9.703 3.392 0.607 1.00 0.00 C ATOM 516 CG GLN A 38 10.976 2.562 0.588 1.00 0.00 C ATOM 517 CD GLN A 38 12.208 3.388 0.276 1.00 0.00 C ATOM 518 OE1 GLN A 38 12.365 4.503 0.775 1.00 0.00 O ATOM 519 NE2 GLN A 38 13.091 2.845 -0.554 1.00 0.00 N ATOM 0 H GLN A 38 8.758 3.026 -1.750 1.00 0.00 H new ATOM 0 HA GLN A 38 8.467 1.647 0.823 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.801 4.209 -0.108 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.588 3.843 1.593 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.104 2.078 1.556 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.877 1.770 -0.154 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.921 1.918 -0.945 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.939 3.355 -0.801 1.00 0.00 H new ATOM 528 N PHE A 39 6.915 3.335 2.007 1.00 0.00 N ATOM 529 CA PHE A 39 5.757 4.035 2.549 1.00 0.00 C ATOM 530 C PHE A 39 6.010 4.471 3.989 1.00 0.00 C ATOM 531 O PHE A 39 6.397 3.666 4.836 1.00 0.00 O ATOM 532 CB PHE A 39 4.518 3.139 2.486 1.00 0.00 C ATOM 533 CG PHE A 39 4.098 2.794 1.086 1.00 0.00 C ATOM 534 CD1 PHE A 39 4.662 1.715 0.425 1.00 0.00 C ATOM 535 CD2 PHE A 39 3.138 3.549 0.431 1.00 0.00 C ATOM 536 CE1 PHE A 39 4.278 1.396 -0.864 1.00 0.00 C ATOM 537 CE2 PHE A 39 2.750 3.235 -0.858 1.00 0.00 C ATOM 538 CZ PHE A 39 3.320 2.156 -1.506 1.00 0.00 C ATOM 0 H PHE A 39 7.467 2.832 2.702 1.00 0.00 H new ATOM 0 HA PHE A 39 5.585 4.925 1.943 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.717 2.218 3.034 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.692 3.639 2.992 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.410 1.116 0.923 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.688 4.392 0.933 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.727 0.553 -1.369 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.002 3.832 -1.358 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.017 1.907 -2.512 1.00 0.00 H new ATOM 548 N LYS A 40 5.788 5.753 4.260 1.00 0.00 N ATOM 549 CA LYS A 40 5.991 6.299 5.597 1.00 0.00 C ATOM 550 C LYS A 40 4.660 6.679 6.237 1.00 0.00 C ATOM 551 O LYS A 40 4.006 7.632 5.813 1.00 0.00 O ATOM 552 CB LYS A 40 6.907 7.524 5.536 1.00 0.00 C ATOM 553 CG LYS A 40 7.056 8.239 6.868 1.00 0.00 C ATOM 554 CD LYS A 40 7.396 9.707 6.678 1.00 0.00 C ATOM 555 CE LYS A 40 8.158 10.262 7.871 1.00 0.00 C ATOM 556 NZ LYS A 40 9.511 9.652 7.998 1.00 0.00 N ATOM 0 H LYS A 40 5.467 6.433 3.571 1.00 0.00 H new ATOM 0 HA LYS A 40 6.462 5.530 6.209 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.892 7.214 5.188 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.514 8.225 4.799 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.130 8.150 7.435 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.837 7.757 7.455 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.994 9.829 5.775 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.479 10.278 6.533 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.255 11.343 7.769 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.590 10.078 8.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.130 10.290 8.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.436 8.741 8.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.913 9.499 7.051 1.00 0.00 H new ATOM 570 N ILE A 41 4.265 5.928 7.260 1.00 0.00 N ATOM 571 CA ILE A 41 3.013 6.188 7.960 1.00 0.00 C ATOM 572 C ILE A 41 3.228 6.246 9.468 1.00 0.00 C ATOM 573 O ILE A 41 4.341 6.049 9.956 1.00 0.00 O ATOM 574 CB ILE A 41 1.958 5.111 7.644 1.00 0.00 C ATOM 575 CG1 ILE A 41 2.215 3.854 8.478 1.00 0.00 C ATOM 576 CG2 ILE A 41 1.967 4.780 6.159 1.00 0.00 C ATOM 577 CD1 ILE A 41 1.187 2.766 8.262 1.00 0.00 C ATOM 0 H ILE A 41 4.794 5.135 7.622 1.00 0.00 H new ATOM 0 HA ILE A 41 2.650 7.155 7.610 1.00 0.00 H new ATOM 0 HB ILE A 41 0.973 5.501 7.903 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.203 3.463 8.236 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.230 4.125 9.534 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.216 4.018 5.952 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.740 5.678 5.585 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.951 4.407 5.875 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.432 1.905 8.885 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.199 3.140 8.532 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.188 2.467 7.214 1.00 0.00 H new ATOM 589 N LYS A 42 2.155 6.517 10.203 1.00 0.00 N ATOM 590 CA LYS A 42 2.224 6.598 11.657 1.00 0.00 C ATOM 591 C LYS A 42 2.006 5.228 12.290 1.00 0.00 C ATOM 592 O LYS A 42 1.440 4.329 11.667 1.00 0.00 O ATOM 593 CB LYS A 42 1.179 7.586 12.183 1.00 0.00 C ATOM 594 CG LYS A 42 1.080 8.860 11.363 1.00 0.00 C ATOM 595 CD LYS A 42 -0.199 9.621 11.668 1.00 0.00 C ATOM 596 CE LYS A 42 -0.462 10.707 10.636 1.00 0.00 C ATOM 597 NZ LYS A 42 -0.727 10.137 9.286 1.00 0.00 N ATOM 0 H LYS A 42 1.227 6.684 9.815 1.00 0.00 H new ATOM 0 HA LYS A 42 3.219 6.950 11.929 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.205 7.097 12.199 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.422 7.845 13.213 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.941 9.495 11.571 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.114 8.614 10.302 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.040 8.927 11.690 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.129 10.069 12.659 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.315 11.308 10.950 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.397 11.376 10.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.080 10.567 8.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.577 9.108 9.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.710 10.338 9.011 1.00 0.00 H new ATOM 611 N ARG A 43 2.459 5.075 13.530 1.00 0.00 N ATOM 612 CA ARG A 43 2.313 3.814 14.247 1.00 0.00 C ATOM 613 C ARG A 43 0.863 3.592 14.668 1.00 0.00 C ATOM 614 O ARG A 43 0.482 2.490 15.064 1.00 0.00 O ATOM 615 CB ARG A 43 3.222 3.794 15.477 1.00 0.00 C ATOM 616 CG ARG A 43 2.772 4.736 16.582 1.00 0.00 C ATOM 617 CD ARG A 43 3.931 5.132 17.483 1.00 0.00 C ATOM 618 NE ARG A 43 3.672 6.383 18.190 1.00 0.00 N ATOM 619 CZ ARG A 43 4.419 6.828 19.195 1.00 0.00 C ATOM 620 NH1 ARG A 43 5.466 6.127 19.607 1.00 0.00 N ATOM 621 NH2 ARG A 43 4.119 7.976 19.788 1.00 0.00 N ATOM 0 H ARG A 43 2.930 5.809 14.059 1.00 0.00 H new ATOM 0 HA ARG A 43 2.605 3.007 13.575 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.264 2.779 15.871 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.235 4.060 15.174 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.330 5.630 16.142 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.995 4.256 17.177 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.115 4.338 18.207 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.836 5.234 16.885 1.00 0.00 H new ATOM 0 HE ARG A 43 2.874 6.946 17.896 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.700 5.244 19.152 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.038 6.470 20.379 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.314 8.518 19.473 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.693 8.317 20.559 1.00 0.00 H new ATOM 635 N HIS A 44 0.059 4.647 14.580 1.00 0.00 N ATOM 636 CA HIS A 44 -1.349 4.567 14.952 1.00 0.00 C ATOM 637 C HIS A 44 -2.245 4.755 13.731 1.00 0.00 C ATOM 638 O HIS A 44 -3.428 5.072 13.859 1.00 0.00 O ATOM 639 CB HIS A 44 -1.680 5.622 16.009 1.00 0.00 C ATOM 640 CG HIS A 44 -1.853 6.999 15.446 1.00 0.00 C ATOM 641 ND1 HIS A 44 -3.082 7.523 15.104 1.00 0.00 N ATOM 642 CD2 HIS A 44 -0.944 7.963 15.168 1.00 0.00 C ATOM 643 CE1 HIS A 44 -2.921 8.749 14.638 1.00 0.00 C ATOM 644 NE2 HIS A 44 -1.633 9.040 14.667 1.00 0.00 N ATOM 0 H HIS A 44 0.358 5.566 14.255 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.534 3.576 15.368 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.595 5.332 16.526 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.885 5.640 16.754 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -3.976 7.040 15.196 1.00 0.00 H new ATOM 0 HD2 HIS A 44 0.124 7.897 15.313 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -3.709 9.402 14.292 1.00 0.00 H new ATOM 653 N THR A 45 -1.673 4.556 12.548 1.00 0.00 N ATOM 654 CA THR A 45 -2.419 4.705 11.304 1.00 0.00 C ATOM 655 C THR A 45 -2.623 3.358 10.621 1.00 0.00 C ATOM 656 O THR A 45 -1.693 2.567 10.464 1.00 0.00 O ATOM 657 CB THR A 45 -1.702 5.659 10.330 1.00 0.00 C ATOM 658 OG1 THR A 45 -1.901 7.017 10.739 1.00 0.00 O ATOM 659 CG2 THR A 45 -2.217 5.470 8.911 1.00 0.00 C ATOM 0 H THR A 45 -0.696 4.291 12.425 1.00 0.00 H new ATOM 0 HA THR A 45 -3.389 5.127 11.566 1.00 0.00 H new ATOM 0 HB THR A 45 -0.637 5.428 10.347 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.701 7.617 9.990 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.696 6.154 8.241 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.037 4.443 8.593 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.287 5.677 8.882 1.00 0.00 H new ATOM 667 N PRO A 46 -3.869 3.088 10.203 1.00 0.00 N ATOM 668 CA PRO A 46 -4.223 1.836 9.528 1.00 0.00 C ATOM 669 C PRO A 46 -3.628 1.744 8.127 1.00 0.00 C ATOM 670 O PRO A 46 -3.732 2.682 7.335 1.00 0.00 O ATOM 671 CB PRO A 46 -5.751 1.892 9.457 1.00 0.00 C ATOM 672 CG PRO A 46 -6.080 3.345 9.495 1.00 0.00 C ATOM 673 CD PRO A 46 -5.027 3.985 10.357 1.00 0.00 C ATOM 0 HA PRO A 46 -3.838 0.964 10.058 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.122 1.426 8.544 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.206 1.361 10.293 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.076 3.772 8.492 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.075 3.509 9.908 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.798 4.998 10.026 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.346 4.054 11.397 1.00 0.00 H new ATOM 681 N LEU A 47 -3.006 0.610 7.827 1.00 0.00 N ATOM 682 CA LEU A 47 -2.395 0.395 6.520 1.00 0.00 C ATOM 683 C LEU A 47 -3.367 0.747 5.399 1.00 0.00 C ATOM 684 O LEU A 47 -2.961 0.978 4.260 1.00 0.00 O ATOM 685 CB LEU A 47 -1.942 -1.059 6.379 1.00 0.00 C ATOM 686 CG LEU A 47 -1.037 -1.591 7.491 1.00 0.00 C ATOM 687 CD1 LEU A 47 -0.916 -3.104 7.404 1.00 0.00 C ATOM 688 CD2 LEU A 47 0.337 -0.940 7.418 1.00 0.00 C ATOM 0 H LEU A 47 -2.911 -0.175 8.471 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.527 1.049 6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.828 -1.691 6.326 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.418 -1.165 5.429 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.487 -1.338 8.451 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.268 -3.464 8.203 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.903 -3.554 7.507 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.490 -3.380 6.440 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.968 -1.331 8.217 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.794 -1.162 6.454 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.235 0.139 7.531 1.00 0.00 H new ATOM 700 N SER A 48 -4.654 0.789 5.730 1.00 0.00 N ATOM 701 CA SER A 48 -5.685 1.112 4.751 1.00 0.00 C ATOM 702 C SER A 48 -5.182 2.150 3.754 1.00 0.00 C ATOM 703 O SER A 48 -5.258 1.953 2.541 1.00 0.00 O ATOM 704 CB SER A 48 -6.941 1.630 5.454 1.00 0.00 C ATOM 705 OG SER A 48 -6.689 2.864 6.104 1.00 0.00 O ATOM 0 H SER A 48 -5.007 0.603 6.669 1.00 0.00 H new ATOM 0 HA SER A 48 -5.932 0.201 4.206 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.743 1.756 4.727 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.283 0.895 6.182 1.00 0.00 H new ATOM 0 HG SER A 48 -7.507 3.175 6.544 1.00 0.00 H new ATOM 711 N LYS A 49 -4.666 3.259 4.274 1.00 0.00 N ATOM 712 CA LYS A 49 -4.148 4.331 3.431 1.00 0.00 C ATOM 713 C LYS A 49 -2.901 3.876 2.679 1.00 0.00 C ATOM 714 O LYS A 49 -2.729 4.184 1.499 1.00 0.00 O ATOM 715 CB LYS A 49 -3.824 5.563 4.280 1.00 0.00 C ATOM 716 CG LYS A 49 -5.024 6.119 5.027 1.00 0.00 C ATOM 717 CD LYS A 49 -4.612 7.186 6.027 1.00 0.00 C ATOM 718 CE LYS A 49 -5.773 8.108 6.368 1.00 0.00 C ATOM 719 NZ LYS A 49 -5.345 9.239 7.237 1.00 0.00 N ATOM 0 H LYS A 49 -4.595 3.439 5.276 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.916 4.591 2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.047 5.304 4.999 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.415 6.341 3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.734 6.541 4.315 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.537 5.310 5.547 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.244 6.711 6.936 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.789 7.772 5.618 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.207 8.500 5.449 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.554 7.538 6.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.164 9.845 7.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.954 8.866 8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.618 9.798 6.746 1.00 0.00 H new ATOM 733 N LEU A 50 -2.034 3.143 3.369 1.00 0.00 N ATOM 734 CA LEU A 50 -0.803 2.645 2.765 1.00 0.00 C ATOM 735 C LEU A 50 -1.104 1.815 1.521 1.00 0.00 C ATOM 736 O LEU A 50 -0.618 2.115 0.431 1.00 0.00 O ATOM 737 CB LEU A 50 -0.020 1.804 3.775 1.00 0.00 C ATOM 738 CG LEU A 50 0.848 0.689 3.191 1.00 0.00 C ATOM 739 CD1 LEU A 50 1.709 1.222 2.056 1.00 0.00 C ATOM 740 CD2 LEU A 50 1.717 0.067 4.275 1.00 0.00 C ATOM 0 H LEU A 50 -2.161 2.880 4.346 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.199 3.503 2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.620 2.470 4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.729 1.358 4.473 1.00 0.00 H new ATOM 0 HG LEU A 50 0.192 -0.084 2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.320 0.414 1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.068 1.620 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.357 2.014 2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.328 -0.725 3.842 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.365 0.831 4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.081 -0.351 5.055 1.00 0.00 H new ATOM 752 N MET A 51 -1.909 0.772 1.692 1.00 0.00 N ATOM 753 CA MET A 51 -2.278 -0.099 0.582 1.00 0.00 C ATOM 754 C MET A 51 -2.858 0.710 -0.574 1.00 0.00 C ATOM 755 O MET A 51 -2.350 0.663 -1.695 1.00 0.00 O ATOM 756 CB MET A 51 -3.290 -1.149 1.043 1.00 0.00 C ATOM 757 CG MET A 51 -2.841 -1.929 2.268 1.00 0.00 C ATOM 758 SD MET A 51 -4.224 -2.487 3.282 1.00 0.00 S ATOM 759 CE MET A 51 -3.518 -3.945 4.045 1.00 0.00 C ATOM 0 H MET A 51 -2.318 0.509 2.588 1.00 0.00 H new ATOM 0 HA MET A 51 -1.376 -0.603 0.234 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.237 -0.657 1.263 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.475 -1.846 0.226 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.257 -2.793 1.950 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.183 -1.304 2.871 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.295 -4.697 4.181 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.733 -4.347 3.405 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.096 -3.680 5.014 1.00 0.00 H new ATOM 769 N LYS A 52 -3.925 1.451 -0.295 1.00 0.00 N ATOM 770 CA LYS A 52 -4.574 2.271 -1.311 1.00 0.00 C ATOM 771 C LYS A 52 -3.541 3.005 -2.160 1.00 0.00 C ATOM 772 O LYS A 52 -3.524 2.875 -3.384 1.00 0.00 O ATOM 773 CB LYS A 52 -5.519 3.280 -0.654 1.00 0.00 C ATOM 774 CG LYS A 52 -6.946 2.779 -0.520 1.00 0.00 C ATOM 775 CD LYS A 52 -7.615 3.329 0.728 1.00 0.00 C ATOM 776 CE LYS A 52 -8.630 2.348 1.296 1.00 0.00 C ATOM 777 NZ LYS A 52 -9.992 2.573 0.737 1.00 0.00 N ATOM 0 H LYS A 52 -4.359 1.500 0.627 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.150 1.612 -1.960 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.137 3.532 0.335 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.519 4.199 -1.239 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.519 3.071 -1.400 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.948 1.690 -0.485 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.858 3.548 1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.111 4.271 0.491 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.312 1.329 1.077 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.662 2.446 2.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.654 1.885 1.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.307 3.537 0.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.967 2.454 -0.296 1.00 0.00 H new ATOM 791 N ALA A 53 -2.679 3.774 -1.503 1.00 0.00 N ATOM 792 CA ALA A 53 -1.641 4.525 -2.197 1.00 0.00 C ATOM 793 C ALA A 53 -0.804 3.612 -3.086 1.00 0.00 C ATOM 794 O ALA A 53 -0.411 3.993 -4.189 1.00 0.00 O ATOM 795 CB ALA A 53 -0.753 5.248 -1.195 1.00 0.00 C ATOM 0 H ALA A 53 -2.679 3.893 -0.490 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.127 5.264 -2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.018 5.805 -1.728 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.357 5.938 -0.605 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.283 4.520 -0.534 1.00 0.00 H new ATOM 801 N TYR A 54 -0.535 2.405 -2.600 1.00 0.00 N ATOM 802 CA TYR A 54 0.258 1.438 -3.349 1.00 0.00 C ATOM 803 C TYR A 54 -0.490 0.968 -4.593 1.00 0.00 C ATOM 804 O TYR A 54 0.119 0.519 -5.565 1.00 0.00 O ATOM 805 CB TYR A 54 0.607 0.239 -2.466 1.00 0.00 C ATOM 806 CG TYR A 54 1.357 -0.852 -3.196 1.00 0.00 C ATOM 807 CD1 TYR A 54 0.677 -1.874 -3.847 1.00 0.00 C ATOM 808 CD2 TYR A 54 2.746 -0.863 -3.232 1.00 0.00 C ATOM 809 CE1 TYR A 54 1.358 -2.873 -4.514 1.00 0.00 C ATOM 810 CE2 TYR A 54 3.435 -1.857 -3.898 1.00 0.00 C ATOM 811 CZ TYR A 54 2.737 -2.861 -4.537 1.00 0.00 C ATOM 812 OH TYR A 54 3.420 -3.854 -5.201 1.00 0.00 O ATOM 0 H TYR A 54 -0.855 2.073 -1.690 1.00 0.00 H new ATOM 0 HA TYR A 54 1.179 1.928 -3.664 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.209 0.581 -1.624 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.312 -0.177 -2.053 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -0.403 -1.887 -3.831 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.296 -0.081 -2.730 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.814 -3.660 -5.015 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.515 -1.849 -3.919 1.00 0.00 H new ATOM 0 HH TYR A 54 4.384 -3.697 -5.122 1.00 0.00 H new ATOM 822 N CYS A 55 -1.814 1.074 -4.555 1.00 0.00 N ATOM 823 CA CYS A 55 -2.647 0.660 -5.678 1.00 0.00 C ATOM 824 C CYS A 55 -2.780 1.784 -6.700 1.00 0.00 C ATOM 825 O CYS A 55 -2.697 1.552 -7.906 1.00 0.00 O ATOM 826 CB CYS A 55 -4.031 0.237 -5.184 1.00 0.00 C ATOM 827 SG CYS A 55 -4.010 -1.157 -4.032 1.00 0.00 S ATOM 0 H CYS A 55 -2.333 1.443 -3.758 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.166 -0.190 -6.161 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.507 1.089 -4.698 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.647 -0.025 -6.044 1.00 0.00 H new ATOM 0 HG CYS A 55 -5.043 -1.086 -3.246 1.00 0.00 H new ATOM 833 N GLU A 56 -2.988 3.002 -6.210 1.00 0.00 N ATOM 834 CA GLU A 56 -3.135 4.161 -7.081 1.00 0.00 C ATOM 835 C GLU A 56 -1.807 4.516 -7.744 1.00 0.00 C ATOM 836 O GLU A 56 -1.758 4.823 -8.935 1.00 0.00 O ATOM 837 CB GLU A 56 -3.658 5.361 -6.288 1.00 0.00 C ATOM 838 CG GLU A 56 -2.573 6.114 -5.538 1.00 0.00 C ATOM 839 CD GLU A 56 -3.129 7.220 -4.662 1.00 0.00 C ATOM 840 OE1 GLU A 56 -4.346 7.202 -4.384 1.00 0.00 O ATOM 841 OE2 GLU A 56 -2.346 8.104 -4.255 1.00 0.00 O ATOM 0 H GLU A 56 -3.058 3.211 -5.214 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.854 3.908 -7.860 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.159 6.047 -6.971 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.408 5.016 -5.576 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.011 5.414 -4.920 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.871 6.541 -6.254 1.00 0.00 H new ATOM 848 N ARG A 57 -0.733 4.470 -6.963 1.00 0.00 N ATOM 849 CA ARG A 57 0.596 4.788 -7.473 1.00 0.00 C ATOM 850 C ARG A 57 0.862 4.062 -8.788 1.00 0.00 C ATOM 851 O ARG A 57 1.363 4.654 -9.744 1.00 0.00 O ATOM 852 CB ARG A 57 1.664 4.411 -6.445 1.00 0.00 C ATOM 853 CG ARG A 57 3.084 4.507 -6.978 1.00 0.00 C ATOM 854 CD ARG A 57 4.109 4.325 -5.869 1.00 0.00 C ATOM 855 NE ARG A 57 4.471 5.594 -5.244 1.00 0.00 N ATOM 856 CZ ARG A 57 5.055 6.593 -5.896 1.00 0.00 C ATOM 857 NH1 ARG A 57 5.342 6.472 -7.184 1.00 0.00 N ATOM 858 NH2 ARG A 57 5.353 7.718 -5.258 1.00 0.00 N ATOM 0 H ARG A 57 -0.757 4.216 -5.975 1.00 0.00 H new ATOM 0 HA ARG A 57 0.640 5.862 -7.655 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.566 5.063 -5.577 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.482 3.393 -6.102 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.238 3.748 -7.745 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.230 5.476 -7.455 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.709 3.650 -5.113 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.003 3.853 -6.276 1.00 0.00 H new ATOM 0 HE ARG A 57 4.264 5.720 -4.253 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.114 5.609 -7.678 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.790 7.242 -7.681 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.134 7.816 -4.267 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.801 8.485 -5.759 1.00 0.00 H new ATOM 872 N GLN A 58 0.523 2.777 -8.828 1.00 0.00 N ATOM 873 CA GLN A 58 0.726 1.971 -10.026 1.00 0.00 C ATOM 874 C GLN A 58 -0.504 2.013 -10.926 1.00 0.00 C ATOM 875 O GLN A 58 -0.427 2.425 -12.082 1.00 0.00 O ATOM 876 CB GLN A 58 1.045 0.524 -9.644 1.00 0.00 C ATOM 877 CG GLN A 58 2.117 0.400 -8.574 1.00 0.00 C ATOM 878 CD GLN A 58 3.372 1.181 -8.912 1.00 0.00 C ATOM 879 OE1 GLN A 58 3.571 1.595 -10.054 1.00 0.00 O ATOM 880 NE2 GLN A 58 4.227 1.387 -7.917 1.00 0.00 N ATOM 0 H GLN A 58 0.107 2.272 -8.045 1.00 0.00 H new ATOM 0 HA GLN A 58 1.569 2.389 -10.576 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.134 0.041 -9.291 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.368 -0.015 -10.534 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.719 0.754 -7.623 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.373 -0.651 -8.441 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.022 1.026 -6.985 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.089 1.906 -8.084 1.00 0.00 H new ATOM 889 N GLY A 59 -1.641 1.581 -10.387 1.00 0.00 N ATOM 890 CA GLY A 59 -2.872 1.577 -11.155 1.00 0.00 C ATOM 891 C GLY A 59 -3.609 0.256 -11.063 1.00 0.00 C ATOM 892 O GLY A 59 -4.305 -0.142 -11.998 1.00 0.00 O ATOM 0 H GLY A 59 -1.731 1.234 -9.432 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.521 2.377 -10.799 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.646 1.791 -12.200 1.00 0.00 H new ATOM 896 N LEU A 60 -3.455 -0.428 -9.934 1.00 0.00 N ATOM 897 CA LEU A 60 -4.110 -1.714 -9.723 1.00 0.00 C ATOM 898 C LEU A 60 -5.244 -1.588 -8.711 1.00 0.00 C ATOM 899 O LEU A 60 -5.465 -0.520 -8.142 1.00 0.00 O ATOM 900 CB LEU A 60 -3.095 -2.753 -9.243 1.00 0.00 C ATOM 901 CG LEU A 60 -1.714 -2.696 -9.897 1.00 0.00 C ATOM 902 CD1 LEU A 60 -0.646 -3.191 -8.935 1.00 0.00 C ATOM 903 CD2 LEU A 60 -1.698 -3.513 -11.181 1.00 0.00 C ATOM 0 H LEU A 60 -2.882 -0.113 -9.151 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.531 -2.040 -10.674 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.970 -2.638 -8.166 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.514 -3.745 -9.411 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.495 -1.658 -10.147 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.330 -3.143 -9.418 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.641 -2.564 -8.043 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.860 -4.222 -8.652 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.707 -3.461 -11.633 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.940 -4.551 -10.955 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.436 -3.112 -11.876 1.00 0.00 H new ATOM 915 N SER A 61 -5.958 -2.687 -8.491 1.00 0.00 N ATOM 916 CA SER A 61 -7.071 -2.699 -7.548 1.00 0.00 C ATOM 917 C SER A 61 -6.666 -3.371 -6.239 1.00 0.00 C ATOM 918 O SER A 61 -5.602 -3.981 -6.145 1.00 0.00 O ATOM 919 CB SER A 61 -8.273 -3.424 -8.155 1.00 0.00 C ATOM 920 OG SER A 61 -9.491 -2.908 -7.645 1.00 0.00 O ATOM 0 H SER A 61 -5.786 -3.580 -8.952 1.00 0.00 H new ATOM 0 HA SER A 61 -7.347 -1.666 -7.336 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.256 -3.318 -9.240 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.207 -4.490 -7.937 1.00 0.00 H new ATOM 0 HG SER A 61 -10.095 -2.699 -8.388 1.00 0.00 H new ATOM 926 N MET A 62 -7.524 -3.252 -5.231 1.00 0.00 N ATOM 927 CA MET A 62 -7.257 -3.848 -3.927 1.00 0.00 C ATOM 928 C MET A 62 -7.563 -5.343 -3.939 1.00 0.00 C ATOM 929 O MET A 62 -6.780 -6.150 -3.439 1.00 0.00 O ATOM 930 CB MET A 62 -8.088 -3.155 -2.846 1.00 0.00 C ATOM 931 CG MET A 62 -7.661 -1.721 -2.576 1.00 0.00 C ATOM 932 SD MET A 62 -6.126 -1.620 -1.635 1.00 0.00 S ATOM 933 CE MET A 62 -6.760 -1.536 0.038 1.00 0.00 C ATOM 0 H MET A 62 -8.409 -2.749 -5.292 1.00 0.00 H new ATOM 0 HA MET A 62 -6.199 -3.713 -3.704 1.00 0.00 H new ATOM 0 HB2 MET A 62 -9.136 -3.163 -3.144 1.00 0.00 H new ATOM 0 HB3 MET A 62 -8.015 -3.727 -1.921 1.00 0.00 H new ATOM 0 HG2 MET A 62 -7.537 -1.198 -3.524 1.00 0.00 H new ATOM 0 HG3 MET A 62 -8.452 -1.207 -2.030 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.059 -2.020 0.718 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.884 -0.493 0.328 1.00 0.00 H new ATOM 0 HE3 MET A 62 -7.723 -2.044 0.088 1.00 0.00 H new ATOM 943 N ARG A 63 -8.706 -5.704 -4.514 1.00 0.00 N ATOM 944 CA ARG A 63 -9.115 -7.101 -4.589 1.00 0.00 C ATOM 945 C ARG A 63 -8.261 -7.864 -5.598 1.00 0.00 C ATOM 946 O ARG A 63 -8.403 -9.076 -5.754 1.00 0.00 O ATOM 947 CB ARG A 63 -10.591 -7.202 -4.976 1.00 0.00 C ATOM 948 CG ARG A 63 -10.872 -6.807 -6.416 1.00 0.00 C ATOM 949 CD ARG A 63 -11.015 -5.300 -6.563 1.00 0.00 C ATOM 950 NE ARG A 63 -11.792 -4.936 -7.745 1.00 0.00 N ATOM 951 CZ ARG A 63 -13.089 -5.192 -7.879 1.00 0.00 C ATOM 952 NH1 ARG A 63 -13.750 -5.810 -6.910 1.00 0.00 N ATOM 953 NH2 ARG A 63 -13.727 -4.830 -8.985 1.00 0.00 N ATOM 0 H ARG A 63 -9.365 -5.048 -4.934 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.972 -7.549 -3.605 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.930 -8.225 -4.816 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -11.176 -6.565 -4.313 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.064 -7.161 -7.056 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.785 -7.295 -6.757 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.496 -4.893 -5.674 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.026 -4.847 -6.626 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.313 -4.459 -8.509 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.263 -6.090 -6.059 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.746 -6.005 -7.016 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.222 -4.355 -9.733 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.723 -5.027 -9.087 1.00 0.00 H new ATOM 967 N GLN A 64 -7.375 -7.144 -6.279 1.00 0.00 N ATOM 968 CA GLN A 64 -6.499 -7.753 -7.273 1.00 0.00 C ATOM 969 C GLN A 64 -5.142 -8.095 -6.667 1.00 0.00 C ATOM 970 O GLN A 64 -4.495 -9.061 -7.074 1.00 0.00 O ATOM 971 CB GLN A 64 -6.316 -6.814 -8.467 1.00 0.00 C ATOM 972 CG GLN A 64 -5.593 -7.455 -9.640 1.00 0.00 C ATOM 973 CD GLN A 64 -5.313 -6.472 -10.760 1.00 0.00 C ATOM 974 OE1 GLN A 64 -6.147 -6.264 -11.642 1.00 0.00 O ATOM 975 NE2 GLN A 64 -4.134 -5.862 -10.732 1.00 0.00 N ATOM 0 H GLN A 64 -7.245 -6.139 -6.161 1.00 0.00 H new ATOM 0 HA GLN A 64 -6.967 -8.676 -7.615 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -7.295 -6.468 -8.800 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.759 -5.934 -8.145 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.652 -7.882 -9.293 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.194 -8.279 -10.026 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.473 -6.064 -9.982 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.890 -5.191 -11.460 1.00 0.00 H new ATOM 984 N ILE A 65 -4.716 -7.296 -5.694 1.00 0.00 N ATOM 985 CA ILE A 65 -3.436 -7.515 -5.032 1.00 0.00 C ATOM 986 C ILE A 65 -3.633 -7.904 -3.571 1.00 0.00 C ATOM 987 O ILE A 65 -4.716 -7.729 -3.012 1.00 0.00 O ATOM 988 CB ILE A 65 -2.544 -6.262 -5.103 1.00 0.00 C ATOM 989 CG1 ILE A 65 -3.168 -5.119 -4.298 1.00 0.00 C ATOM 990 CG2 ILE A 65 -2.333 -5.843 -6.550 1.00 0.00 C ATOM 991 CD1 ILE A 65 -2.152 -4.137 -3.757 1.00 0.00 C ATOM 0 H ILE A 65 -5.238 -6.492 -5.347 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.943 -8.332 -5.559 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.573 -6.500 -4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.877 -4.585 -4.930 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.735 -5.538 -3.467 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.700 -4.956 -6.583 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.851 -6.653 -7.097 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.296 -5.619 -7.008 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.664 -3.354 -3.198 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.457 -4.658 -3.098 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.601 -3.690 -4.585 1.00 0.00 H new ATOM 1003 N ARG A 66 -2.578 -8.429 -2.957 1.00 0.00 N ATOM 1004 CA ARG A 66 -2.634 -8.842 -1.560 1.00 0.00 C ATOM 1005 C ARG A 66 -1.400 -8.361 -0.801 1.00 0.00 C ATOM 1006 O ARG A 66 -0.311 -8.259 -1.366 1.00 0.00 O ATOM 1007 CB ARG A 66 -2.746 -10.364 -1.459 1.00 0.00 C ATOM 1008 CG ARG A 66 -4.178 -10.871 -1.471 1.00 0.00 C ATOM 1009 CD ARG A 66 -4.798 -10.822 -0.083 1.00 0.00 C ATOM 1010 NE ARG A 66 -5.419 -9.530 0.194 1.00 0.00 N ATOM 1011 CZ ARG A 66 -6.580 -9.146 -0.325 1.00 0.00 C ATOM 1012 NH1 ARG A 66 -7.243 -9.952 -1.142 1.00 0.00 N ATOM 1013 NH2 ARG A 66 -7.081 -7.955 -0.025 1.00 0.00 N ATOM 0 H ARG A 66 -1.674 -8.578 -3.405 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.517 -8.389 -1.109 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.203 -10.816 -2.289 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.260 -10.696 -0.542 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.773 -10.269 -2.158 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.200 -11.895 -1.844 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.545 -11.610 0.008 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.030 -11.023 0.664 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.935 -8.887 0.820 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.862 -10.869 -1.373 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.134 -9.655 -1.539 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.575 -7.333 0.605 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.973 -7.661 -0.424 1.00 0.00 H new ATOM 1027 N PHE A 67 -1.579 -8.065 0.482 1.00 0.00 N ATOM 1028 CA PHE A 67 -0.481 -7.594 1.319 1.00 0.00 C ATOM 1029 C PHE A 67 -0.106 -8.640 2.364 1.00 0.00 C ATOM 1030 O PHE A 67 -0.965 -9.355 2.878 1.00 0.00 O ATOM 1031 CB PHE A 67 -0.864 -6.282 2.007 1.00 0.00 C ATOM 1032 CG PHE A 67 -1.125 -5.156 1.049 1.00 0.00 C ATOM 1033 CD1 PHE A 67 -2.345 -5.050 0.399 1.00 0.00 C ATOM 1034 CD2 PHE A 67 -0.152 -4.202 0.799 1.00 0.00 C ATOM 1035 CE1 PHE A 67 -2.587 -4.015 -0.484 1.00 0.00 C ATOM 1036 CE2 PHE A 67 -0.389 -3.164 -0.083 1.00 0.00 C ATOM 1037 CZ PHE A 67 -1.608 -3.070 -0.724 1.00 0.00 C ATOM 0 H PHE A 67 -2.474 -8.143 0.965 1.00 0.00 H new ATOM 0 HA PHE A 67 0.384 -7.421 0.678 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.755 -6.446 2.614 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.064 -5.991 2.688 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.115 -5.784 0.585 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.803 -4.270 1.299 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.541 -3.945 -0.986 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.379 -2.428 -0.270 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.796 -2.259 -1.412 1.00 0.00 H new ATOM 1047 N ARG A 68 1.184 -8.722 2.673 1.00 0.00 N ATOM 1048 CA ARG A 68 1.675 -9.681 3.655 1.00 0.00 C ATOM 1049 C ARG A 68 2.724 -9.043 4.561 1.00 0.00 C ATOM 1050 O ARG A 68 3.423 -8.112 4.159 1.00 0.00 O ATOM 1051 CB ARG A 68 2.267 -10.904 2.953 1.00 0.00 C ATOM 1052 CG ARG A 68 1.244 -11.985 2.646 1.00 0.00 C ATOM 1053 CD ARG A 68 1.914 -13.280 2.212 1.00 0.00 C ATOM 1054 NE ARG A 68 1.070 -14.056 1.307 1.00 0.00 N ATOM 1055 CZ ARG A 68 -0.049 -14.663 1.685 1.00 0.00 C ATOM 1056 NH1 ARG A 68 -0.458 -14.583 2.944 1.00 0.00 N ATOM 1057 NH2 ARG A 68 -0.763 -15.350 0.803 1.00 0.00 N ATOM 0 H ARG A 68 1.908 -8.136 2.257 1.00 0.00 H new ATOM 0 HA ARG A 68 0.832 -9.997 4.270 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.737 -10.586 2.022 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.053 -11.327 3.579 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.632 -12.169 3.529 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.573 -11.640 1.859 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.859 -13.052 1.720 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.149 -13.879 3.092 1.00 0.00 H new ATOM 0 HE ARG A 68 1.356 -14.136 0.331 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.087 -14.054 3.625 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.318 -15.050 3.232 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.453 -15.412 -0.167 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.622 -15.816 1.094 1.00 0.00 H new ATOM 1071 N PHE A 69 2.829 -9.550 5.785 1.00 0.00 N ATOM 1072 CA PHE A 69 3.792 -9.028 6.748 1.00 0.00 C ATOM 1073 C PHE A 69 4.382 -10.155 7.591 1.00 0.00 C ATOM 1074 O PHE A 69 3.718 -10.697 8.475 1.00 0.00 O ATOM 1075 CB PHE A 69 3.127 -7.992 7.656 1.00 0.00 C ATOM 1076 CG PHE A 69 4.064 -7.388 8.663 1.00 0.00 C ATOM 1077 CD1 PHE A 69 5.122 -6.593 8.255 1.00 0.00 C ATOM 1078 CD2 PHE A 69 3.886 -7.617 10.018 1.00 0.00 C ATOM 1079 CE1 PHE A 69 5.986 -6.035 9.179 1.00 0.00 C ATOM 1080 CE2 PHE A 69 4.746 -7.062 10.947 1.00 0.00 C ATOM 1081 CZ PHE A 69 5.798 -6.271 10.527 1.00 0.00 C ATOM 0 H PHE A 69 2.260 -10.321 6.133 1.00 0.00 H new ATOM 0 HA PHE A 69 4.600 -8.550 6.194 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.707 -7.197 7.040 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.295 -8.461 8.181 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.274 -6.407 7.202 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.066 -8.236 10.352 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.806 -5.416 8.847 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.596 -7.247 12.000 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.472 -5.838 11.251 1.00 0.00 H new ATOM 1091 N ASP A 70 5.633 -10.503 7.310 1.00 0.00 N ATOM 1092 CA ASP A 70 6.314 -11.565 8.042 1.00 0.00 C ATOM 1093 C ASP A 70 5.713 -12.927 7.707 1.00 0.00 C ATOM 1094 O ASP A 70 5.735 -13.844 8.527 1.00 0.00 O ATOM 1095 CB ASP A 70 6.229 -11.312 9.548 1.00 0.00 C ATOM 1096 CG ASP A 70 7.391 -11.923 10.304 1.00 0.00 C ATOM 1097 OD1 ASP A 70 8.499 -11.999 9.732 1.00 0.00 O ATOM 1098 OD2 ASP A 70 7.194 -12.326 11.470 1.00 0.00 O ATOM 0 H ASP A 70 6.196 -10.065 6.581 1.00 0.00 H new ATOM 0 HA ASP A 70 7.362 -11.566 7.741 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.204 -10.238 9.732 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.294 -11.723 9.930 1.00 0.00 H new ATOM 1103 N GLY A 71 5.177 -13.051 6.497 1.00 0.00 N ATOM 1104 CA GLY A 71 4.577 -14.303 6.077 1.00 0.00 C ATOM 1105 C GLY A 71 3.166 -14.476 6.604 1.00 0.00 C ATOM 1106 O GLY A 71 2.713 -15.599 6.824 1.00 0.00 O ATOM 0 H GLY A 71 5.148 -12.307 5.800 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.563 -14.348 4.988 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.195 -15.132 6.422 1.00 0.00 H new ATOM 1110 N GLN A 72 2.471 -13.361 6.808 1.00 0.00 N ATOM 1111 CA GLN A 72 1.105 -13.396 7.315 1.00 0.00 C ATOM 1112 C GLN A 72 0.247 -12.330 6.640 1.00 0.00 C ATOM 1113 O GLN A 72 0.715 -11.243 6.303 1.00 0.00 O ATOM 1114 CB GLN A 72 1.096 -13.190 8.831 1.00 0.00 C ATOM 1115 CG GLN A 72 1.631 -14.380 9.610 1.00 0.00 C ATOM 1116 CD GLN A 72 1.500 -14.203 11.109 1.00 0.00 C ATOM 1117 OE1 GLN A 72 0.545 -14.682 11.722 1.00 0.00 O ATOM 1118 NE2 GLN A 72 2.462 -13.512 11.710 1.00 0.00 N ATOM 0 H GLN A 72 2.831 -12.424 6.630 1.00 0.00 H new ATOM 0 HA GLN A 72 0.684 -14.375 7.086 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.692 -12.310 9.073 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.076 -12.983 9.155 1.00 0.00 H new ATOM 0 HG2 GLN A 72 1.095 -15.279 9.306 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.680 -14.533 9.356 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.235 -13.133 11.163 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.428 -13.361 12.718 1.00 0.00 H new ATOM 1127 N PRO A 73 -1.040 -12.648 6.437 1.00 0.00 N ATOM 1128 CA PRO A 73 -1.991 -11.731 5.801 1.00 0.00 C ATOM 1129 C PRO A 73 -2.324 -10.535 6.686 1.00 0.00 C ATOM 1130 O PRO A 73 -2.687 -10.696 7.852 1.00 0.00 O ATOM 1131 CB PRO A 73 -3.233 -12.600 5.587 1.00 0.00 C ATOM 1132 CG PRO A 73 -3.136 -13.662 6.627 1.00 0.00 C ATOM 1133 CD PRO A 73 -1.667 -13.926 6.813 1.00 0.00 C ATOM 0 HA PRO A 73 -1.591 -11.302 4.883 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.148 -12.018 5.700 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.249 -13.028 4.585 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.595 -13.337 7.561 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.658 -14.566 6.312 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.435 -14.200 7.842 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.323 -14.744 6.180 1.00 0.00 H new ATOM 1141 N ILE A 74 -2.199 -9.337 6.126 1.00 0.00 N ATOM 1142 CA ILE A 74 -2.488 -8.114 6.865 1.00 0.00 C ATOM 1143 C ILE A 74 -3.724 -7.415 6.309 1.00 0.00 C ATOM 1144 O ILE A 74 -3.886 -7.290 5.095 1.00 0.00 O ATOM 1145 CB ILE A 74 -1.298 -7.137 6.825 1.00 0.00 C ATOM 1146 CG1 ILE A 74 -0.571 -7.239 5.482 1.00 0.00 C ATOM 1147 CG2 ILE A 74 -0.342 -7.420 7.974 1.00 0.00 C ATOM 1148 CD1 ILE A 74 0.646 -6.346 5.385 1.00 0.00 C ATOM 0 H ILE A 74 -1.899 -9.187 5.163 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.673 -8.406 7.899 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.677 -6.121 6.935 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.267 -8.273 5.320 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.265 -6.982 4.682 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.494 -6.722 7.932 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.867 -7.301 8.922 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.033 -8.440 7.892 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.111 -6.470 4.407 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.346 -5.306 5.515 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.359 -6.617 6.163 1.00 0.00 H new ATOM 1160 N ASN A 75 -4.594 -6.960 7.205 1.00 0.00 N ATOM 1161 CA ASN A 75 -5.815 -6.272 6.804 1.00 0.00 C ATOM 1162 C ASN A 75 -5.638 -4.759 6.883 1.00 0.00 C ATOM 1163 O ASN A 75 -4.870 -4.256 7.702 1.00 0.00 O ATOM 1164 CB ASN A 75 -6.984 -6.707 7.691 1.00 0.00 C ATOM 1165 CG ASN A 75 -6.538 -7.098 9.086 1.00 0.00 C ATOM 1166 OD1 ASN A 75 -6.792 -6.382 10.055 1.00 0.00 O ATOM 1167 ND2 ASN A 75 -5.868 -8.240 9.194 1.00 0.00 N ATOM 0 H ASN A 75 -4.476 -7.056 8.214 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.032 -6.541 5.770 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.707 -5.894 7.758 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.495 -7.550 7.226 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.541 -8.555 10.107 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.680 -8.802 8.363 1.00 0.00 H new ATOM 1174 N GLU A 76 -6.355 -4.039 6.025 1.00 0.00 N ATOM 1175 CA GLU A 76 -6.277 -2.584 5.998 1.00 0.00 C ATOM 1176 C GLU A 76 -6.648 -1.993 7.355 1.00 0.00 C ATOM 1177 O GLU A 76 -6.159 -0.930 7.738 1.00 0.00 O ATOM 1178 CB GLU A 76 -7.200 -2.021 4.915 1.00 0.00 C ATOM 1179 CG GLU A 76 -8.570 -2.676 4.883 1.00 0.00 C ATOM 1180 CD GLU A 76 -9.631 -1.780 4.275 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -9.513 -1.448 3.076 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -10.580 -1.410 4.998 1.00 0.00 O ATOM 0 H GLU A 76 -6.996 -4.440 5.340 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.248 -2.306 5.769 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.322 -0.950 5.075 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.724 -2.146 3.943 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.512 -3.603 4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.864 -2.944 5.898 1.00 0.00 H new ATOM 1189 N THR A 77 -7.518 -2.691 8.079 1.00 0.00 N ATOM 1190 CA THR A 77 -7.957 -2.236 9.393 1.00 0.00 C ATOM 1191 C THR A 77 -6.821 -2.304 10.407 1.00 0.00 C ATOM 1192 O THR A 77 -6.631 -1.384 11.203 1.00 0.00 O ATOM 1193 CB THR A 77 -9.142 -3.074 9.910 1.00 0.00 C ATOM 1194 OG1 THR A 77 -8.727 -4.427 10.129 1.00 0.00 O ATOM 1195 CG2 THR A 77 -10.297 -3.046 8.920 1.00 0.00 C ATOM 0 H THR A 77 -7.932 -3.573 7.778 1.00 0.00 H new ATOM 0 HA THR A 77 -8.276 -1.200 9.278 1.00 0.00 H new ATOM 0 HB THR A 77 -9.481 -2.642 10.852 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.486 -4.952 10.459 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.122 -3.644 9.306 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.630 -2.018 8.778 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.968 -3.456 7.965 1.00 0.00 H new ATOM 1203 N ASP A 78 -6.068 -3.398 10.371 1.00 0.00 N ATOM 1204 CA ASP A 78 -4.948 -3.584 11.287 1.00 0.00 C ATOM 1205 C ASP A 78 -3.973 -2.415 11.198 1.00 0.00 C ATOM 1206 O ASP A 78 -3.856 -1.767 10.157 1.00 0.00 O ATOM 1207 CB ASP A 78 -4.222 -4.895 10.978 1.00 0.00 C ATOM 1208 CG ASP A 78 -4.848 -6.083 11.681 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -5.505 -5.877 12.722 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -4.681 -7.219 11.189 1.00 0.00 O ATOM 0 H ASP A 78 -6.212 -4.169 9.718 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.343 -3.627 12.302 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.231 -5.067 9.902 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.178 -4.808 11.278 1.00 0.00 H new ATOM 1215 N THR A 79 -3.273 -2.149 12.297 1.00 0.00 N ATOM 1216 CA THR A 79 -2.310 -1.057 12.344 1.00 0.00 C ATOM 1217 C THR A 79 -0.882 -1.586 12.421 1.00 0.00 C ATOM 1218 O THR A 79 -0.640 -2.737 12.784 1.00 0.00 O ATOM 1219 CB THR A 79 -2.568 -0.132 13.549 1.00 0.00 C ATOM 1220 OG1 THR A 79 -3.155 -0.876 14.622 1.00 0.00 O ATOM 1221 CG2 THR A 79 -3.486 1.018 13.161 1.00 0.00 C ATOM 0 H THR A 79 -3.356 -2.676 13.167 1.00 0.00 H new ATOM 0 HA THR A 79 -2.434 -0.486 11.424 1.00 0.00 H new ATOM 0 HB THR A 79 -1.612 0.280 13.874 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.314 -0.281 15.384 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.654 1.658 14.027 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.023 1.600 12.364 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.440 0.621 12.813 1.00 0.00 H new ATOM 1229 N PRO A 80 0.087 -0.727 12.073 1.00 0.00 N ATOM 1230 CA PRO A 80 1.508 -1.086 12.096 1.00 0.00 C ATOM 1231 C PRO A 80 2.039 -1.262 13.515 1.00 0.00 C ATOM 1232 O PRO A 80 3.066 -1.906 13.728 1.00 0.00 O ATOM 1233 CB PRO A 80 2.186 0.106 11.416 1.00 0.00 C ATOM 1234 CG PRO A 80 1.256 1.248 11.637 1.00 0.00 C ATOM 1235 CD PRO A 80 -0.129 0.661 11.631 1.00 0.00 C ATOM 0 HA PRO A 80 1.695 -2.040 11.602 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.166 0.304 11.850 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.339 -0.079 10.353 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.465 1.744 12.585 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.366 1.998 10.854 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.796 1.198 12.305 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.578 0.701 10.639 1.00 0.00 H new ATOM 1243 N ALA A 81 1.332 -0.686 14.482 1.00 0.00 N ATOM 1244 CA ALA A 81 1.731 -0.782 15.880 1.00 0.00 C ATOM 1245 C ALA A 81 1.328 -2.128 16.475 1.00 0.00 C ATOM 1246 O ALA A 81 1.995 -2.644 17.371 1.00 0.00 O ATOM 1247 CB ALA A 81 1.119 0.356 16.683 1.00 0.00 C ATOM 0 H ALA A 81 0.480 -0.148 14.322 1.00 0.00 H new ATOM 0 HA ALA A 81 2.817 -0.703 15.928 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.426 0.272 17.726 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.460 1.310 16.281 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.032 0.303 16.619 1.00 0.00 H new ATOM 1253 N GLN A 82 0.234 -2.688 15.971 1.00 0.00 N ATOM 1254 CA GLN A 82 -0.258 -3.973 16.454 1.00 0.00 C ATOM 1255 C GLN A 82 0.735 -5.088 16.142 1.00 0.00 C ATOM 1256 O GLN A 82 0.971 -5.972 16.966 1.00 0.00 O ATOM 1257 CB GLN A 82 -1.616 -4.292 15.826 1.00 0.00 C ATOM 1258 CG GLN A 82 -2.247 -5.568 16.359 1.00 0.00 C ATOM 1259 CD GLN A 82 -1.838 -6.796 15.570 1.00 0.00 C ATOM 1260 OE1 GLN A 82 -0.693 -7.243 15.644 1.00 0.00 O ATOM 1261 NE2 GLN A 82 -2.774 -7.349 14.807 1.00 0.00 N ATOM 0 H GLN A 82 -0.329 -2.273 15.229 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.373 -3.906 17.536 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.295 -3.458 16.005 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.496 -4.379 14.746 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.963 -5.701 17.403 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -3.332 -5.470 16.334 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.710 -6.946 14.775 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -2.557 -8.177 14.253 1.00 0.00 H new ATOM 1270 N LEU A 83 1.313 -5.041 14.947 1.00 0.00 N ATOM 1271 CA LEU A 83 2.281 -6.048 14.525 1.00 0.00 C ATOM 1272 C LEU A 83 3.699 -5.631 14.902 1.00 0.00 C ATOM 1273 O LEU A 83 4.672 -6.262 14.489 1.00 0.00 O ATOM 1274 CB LEU A 83 2.188 -6.272 13.015 1.00 0.00 C ATOM 1275 CG LEU A 83 0.775 -6.368 12.437 1.00 0.00 C ATOM 1276 CD1 LEU A 83 0.751 -5.865 11.002 1.00 0.00 C ATOM 1277 CD2 LEU A 83 0.265 -7.800 12.511 1.00 0.00 C ATOM 0 H LEU A 83 1.128 -4.317 14.253 1.00 0.00 H new ATOM 0 HA LEU A 83 2.047 -6.980 15.039 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.709 -5.456 12.514 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.722 -7.190 12.770 1.00 0.00 H new ATOM 0 HG LEU A 83 0.115 -5.737 13.033 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.262 -5.941 10.607 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.074 -4.824 10.976 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.424 -6.469 10.393 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.741 -7.850 12.096 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.926 -8.452 11.940 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.245 -8.126 13.551 1.00 0.00 H new ATOM 1289 N GLU A 84 3.808 -4.566 15.690 1.00 0.00 N ATOM 1290 CA GLU A 84 5.108 -4.067 16.124 1.00 0.00 C ATOM 1291 C GLU A 84 6.007 -3.779 14.925 1.00 0.00 C ATOM 1292 O GLU A 84 7.224 -3.947 14.994 1.00 0.00 O ATOM 1293 CB GLU A 84 5.785 -5.079 17.051 1.00 0.00 C ATOM 1294 CG GLU A 84 5.408 -4.912 18.513 1.00 0.00 C ATOM 1295 CD GLU A 84 6.479 -5.428 19.454 1.00 0.00 C ATOM 1296 OE1 GLU A 84 6.756 -6.646 19.427 1.00 0.00 O ATOM 1297 OE2 GLU A 84 7.040 -4.615 20.218 1.00 0.00 O ATOM 0 H GLU A 84 3.013 -4.032 16.041 1.00 0.00 H new ATOM 0 HA GLU A 84 4.948 -3.137 16.669 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.522 -6.087 16.729 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.866 -4.985 16.950 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.226 -3.857 18.719 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.474 -5.440 18.706 1.00 0.00 H new ATOM 1304 N MET A 85 5.398 -3.343 13.827 1.00 0.00 N ATOM 1305 CA MET A 85 6.143 -3.030 12.613 1.00 0.00 C ATOM 1306 C MET A 85 7.487 -2.391 12.949 1.00 0.00 C ATOM 1307 O MET A 85 7.541 -1.329 13.568 1.00 0.00 O ATOM 1308 CB MET A 85 5.330 -2.094 11.717 1.00 0.00 C ATOM 1309 CG MET A 85 4.425 -2.825 10.738 1.00 0.00 C ATOM 1310 SD MET A 85 5.243 -3.182 9.171 1.00 0.00 S ATOM 1311 CE MET A 85 3.933 -4.029 8.291 1.00 0.00 C ATOM 0 H MET A 85 4.391 -3.198 13.753 1.00 0.00 H new ATOM 0 HA MET A 85 6.327 -3.962 12.080 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.722 -1.442 12.344 1.00 0.00 H new ATOM 0 HB3 MET A 85 6.013 -1.454 11.159 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.088 -3.759 11.188 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.536 -2.222 10.551 1.00 0.00 H new ATOM 0 HE1 MET A 85 4.337 -4.484 7.387 1.00 0.00 H new ATOM 0 HE2 MET A 85 3.508 -4.804 8.929 1.00 0.00 H new ATOM 0 HE3 MET A 85 3.155 -3.315 8.021 1.00 0.00 H new ATOM 1321 N GLU A 86 8.568 -3.046 12.539 1.00 0.00 N ATOM 1322 CA GLU A 86 9.911 -2.541 12.798 1.00 0.00 C ATOM 1323 C GLU A 86 10.274 -1.431 11.816 1.00 0.00 C ATOM 1324 O GLU A 86 9.639 -1.279 10.772 1.00 0.00 O ATOM 1325 CB GLU A 86 10.934 -3.675 12.704 1.00 0.00 C ATOM 1326 CG GLU A 86 10.790 -4.717 13.800 1.00 0.00 C ATOM 1327 CD GLU A 86 11.773 -5.862 13.650 1.00 0.00 C ATOM 1328 OE1 GLU A 86 11.440 -6.843 12.954 1.00 0.00 O ATOM 1329 OE2 GLU A 86 12.876 -5.774 14.229 1.00 0.00 O ATOM 0 H GLU A 86 8.540 -3.927 12.026 1.00 0.00 H new ATOM 0 HA GLU A 86 9.928 -2.129 13.807 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.834 -4.163 11.735 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.938 -3.252 12.746 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.937 -4.241 14.770 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.774 -5.112 13.790 1.00 0.00 H new ATOM 1336 N ASP A 87 11.299 -0.658 12.158 1.00 0.00 N ATOM 1337 CA ASP A 87 11.747 0.438 11.307 1.00 0.00 C ATOM 1338 C ASP A 87 12.459 -0.093 10.067 1.00 0.00 C ATOM 1339 O ASP A 87 13.306 -0.981 10.159 1.00 0.00 O ATOM 1340 CB ASP A 87 12.679 1.368 12.086 1.00 0.00 C ATOM 1341 CG ASP A 87 12.344 1.419 13.564 1.00 0.00 C ATOM 1342 OD1 ASP A 87 12.747 0.491 14.296 1.00 0.00 O ATOM 1343 OD2 ASP A 87 11.679 2.387 13.988 1.00 0.00 O ATOM 0 H ASP A 87 11.835 -0.770 13.018 1.00 0.00 H new ATOM 0 HA ASP A 87 10.869 1.000 10.987 1.00 0.00 H new ATOM 0 HB2 ASP A 87 13.709 1.033 11.961 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.618 2.373 11.668 1.00 0.00 H new ATOM 1348 N GLU A 88 12.108 0.456 8.908 1.00 0.00 N ATOM 1349 CA GLU A 88 12.712 0.035 7.650 1.00 0.00 C ATOM 1350 C GLU A 88 12.368 -1.419 7.341 1.00 0.00 C ATOM 1351 O GLU A 88 13.173 -2.149 6.761 1.00 0.00 O ATOM 1352 CB GLU A 88 14.231 0.211 7.704 1.00 0.00 C ATOM 1353 CG GLU A 88 14.669 1.643 7.959 1.00 0.00 C ATOM 1354 CD GLU A 88 14.703 2.477 6.694 1.00 0.00 C ATOM 1355 OE1 GLU A 88 13.910 2.190 5.772 1.00 0.00 O ATOM 1356 OE2 GLU A 88 15.522 3.418 6.625 1.00 0.00 O ATOM 0 H GLU A 88 11.409 1.193 8.815 1.00 0.00 H new ATOM 0 HA GLU A 88 12.309 0.662 6.855 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.635 -0.429 8.489 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.661 -0.129 6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.990 2.104 8.676 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.659 1.640 8.415 1.00 0.00 H new ATOM 1363 N ASP A 89 11.168 -1.833 7.732 1.00 0.00 N ATOM 1364 CA ASP A 89 10.716 -3.199 7.497 1.00 0.00 C ATOM 1365 C ASP A 89 10.500 -3.452 6.008 1.00 0.00 C ATOM 1366 O ASP A 89 10.792 -2.595 5.173 1.00 0.00 O ATOM 1367 CB ASP A 89 9.422 -3.470 8.266 1.00 0.00 C ATOM 1368 CG ASP A 89 9.285 -4.924 8.674 1.00 0.00 C ATOM 1369 OD1 ASP A 89 8.793 -5.726 7.854 1.00 0.00 O ATOM 1370 OD2 ASP A 89 9.669 -5.258 9.815 1.00 0.00 O ATOM 0 H ASP A 89 10.490 -1.242 8.213 1.00 0.00 H new ATOM 0 HA ASP A 89 11.491 -3.878 7.854 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.393 -2.842 9.156 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.570 -3.187 7.648 1.00 0.00 H new ATOM 1375 N THR A 90 9.988 -4.634 5.681 1.00 0.00 N ATOM 1376 CA THR A 90 9.736 -5.001 4.294 1.00 0.00 C ATOM 1377 C THR A 90 8.373 -5.667 4.140 1.00 0.00 C ATOM 1378 O THR A 90 8.087 -6.673 4.790 1.00 0.00 O ATOM 1379 CB THR A 90 10.823 -5.951 3.757 1.00 0.00 C ATOM 1380 OG1 THR A 90 12.120 -5.388 3.981 1.00 0.00 O ATOM 1381 CG2 THR A 90 10.628 -6.212 2.271 1.00 0.00 C ATOM 0 H THR A 90 9.740 -5.354 6.359 1.00 0.00 H new ATOM 0 HA THR A 90 9.753 -4.078 3.715 1.00 0.00 H new ATOM 0 HB THR A 90 10.742 -6.898 4.290 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.805 -5.999 3.638 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.407 -6.885 1.915 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.652 -6.668 2.107 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.685 -5.270 1.726 1.00 0.00 H new ATOM 1389 N ILE A 91 7.537 -5.101 3.277 1.00 0.00 N ATOM 1390 CA ILE A 91 6.205 -5.642 3.037 1.00 0.00 C ATOM 1391 C ILE A 91 6.179 -6.501 1.778 1.00 0.00 C ATOM 1392 O ILE A 91 6.865 -6.207 0.799 1.00 0.00 O ATOM 1393 CB ILE A 91 5.158 -4.521 2.902 1.00 0.00 C ATOM 1394 CG1 ILE A 91 5.348 -3.480 4.007 1.00 0.00 C ATOM 1395 CG2 ILE A 91 3.752 -5.101 2.949 1.00 0.00 C ATOM 1396 CD1 ILE A 91 4.206 -2.493 4.110 1.00 0.00 C ATOM 0 H ILE A 91 7.758 -4.268 2.732 1.00 0.00 H new ATOM 0 HA ILE A 91 5.955 -6.259 3.900 1.00 0.00 H new ATOM 0 HB ILE A 91 5.295 -4.030 1.939 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.462 -3.993 4.962 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.274 -2.934 3.826 1.00 0.00 H new ATOM 0 HG21 ILE A 91 3.023 -4.296 2.852 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.623 -5.808 2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.602 -5.615 3.899 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.408 -1.785 4.914 1.00 0.00 H new ATOM 0 HD12 ILE A 91 4.105 -1.954 3.168 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.281 -3.028 4.322 1.00 0.00 H new ATOM 1408 N ASP A 92 5.382 -7.564 1.809 1.00 0.00 N ATOM 1409 CA ASP A 92 5.264 -8.465 0.669 1.00 0.00 C ATOM 1410 C ASP A 92 3.930 -8.268 -0.044 1.00 0.00 C ATOM 1411 O ASP A 92 2.866 -8.381 0.566 1.00 0.00 O ATOM 1412 CB ASP A 92 5.403 -9.919 1.124 1.00 0.00 C ATOM 1413 CG ASP A 92 6.773 -10.215 1.703 1.00 0.00 C ATOM 1414 OD1 ASP A 92 7.779 -9.919 1.026 1.00 0.00 O ATOM 1415 OD2 ASP A 92 6.838 -10.744 2.832 1.00 0.00 O ATOM 0 H ASP A 92 4.808 -7.822 2.612 1.00 0.00 H new ATOM 0 HA ASP A 92 6.067 -8.233 -0.030 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.641 -10.137 1.872 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.218 -10.581 0.278 1.00 0.00 H new ATOM 1420 N VAL A 93 3.994 -7.971 -1.338 1.00 0.00 N ATOM 1421 CA VAL A 93 2.791 -7.758 -2.134 1.00 0.00 C ATOM 1422 C VAL A 93 2.931 -8.380 -3.519 1.00 0.00 C ATOM 1423 O VAL A 93 4.041 -8.615 -3.996 1.00 0.00 O ATOM 1424 CB VAL A 93 2.477 -6.257 -2.286 1.00 0.00 C ATOM 1425 CG1 VAL A 93 1.287 -6.052 -3.210 1.00 0.00 C ATOM 1426 CG2 VAL A 93 2.222 -5.626 -0.926 1.00 0.00 C ATOM 0 H VAL A 93 4.866 -7.872 -1.857 1.00 0.00 H new ATOM 0 HA VAL A 93 1.971 -8.241 -1.603 1.00 0.00 H new ATOM 0 HB VAL A 93 3.342 -5.766 -2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.080 -4.986 -3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.513 -6.467 -4.192 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.414 -6.556 -2.796 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.002 -4.566 -1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.374 -6.118 -0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.107 -5.741 -0.300 1.00 0.00 H new ATOM 1436 N PHE A 94 1.797 -8.644 -4.160 1.00 0.00 N ATOM 1437 CA PHE A 94 1.793 -9.239 -5.491 1.00 0.00 C ATOM 1438 C PHE A 94 1.121 -8.312 -6.500 1.00 0.00 C ATOM 1439 O PHE A 94 -0.045 -7.949 -6.343 1.00 0.00 O ATOM 1440 CB PHE A 94 1.075 -10.590 -5.466 1.00 0.00 C ATOM 1441 CG PHE A 94 1.463 -11.454 -4.301 1.00 0.00 C ATOM 1442 CD1 PHE A 94 1.154 -11.072 -3.005 1.00 0.00 C ATOM 1443 CD2 PHE A 94 2.136 -12.648 -4.500 1.00 0.00 C ATOM 1444 CE1 PHE A 94 1.511 -11.864 -1.931 1.00 0.00 C ATOM 1445 CE2 PHE A 94 2.495 -13.445 -3.430 1.00 0.00 C ATOM 1446 CZ PHE A 94 2.181 -13.053 -2.143 1.00 0.00 C ATOM 0 H PHE A 94 0.870 -8.455 -3.779 1.00 0.00 H new ATOM 0 HA PHE A 94 2.828 -9.390 -5.797 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.001 -10.420 -5.439 1.00 0.00 H new ATOM 0 HB3 PHE A 94 1.290 -11.124 -6.392 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.628 -10.145 -2.833 1.00 0.00 H new ATOM 0 HD2 PHE A 94 2.383 -12.960 -5.504 1.00 0.00 H new ATOM 0 HE1 PHE A 94 1.266 -11.554 -0.926 1.00 0.00 H new ATOM 0 HE2 PHE A 94 3.020 -14.373 -3.599 1.00 0.00 H new ATOM 0 HZ PHE A 94 2.459 -13.675 -1.305 1.00 0.00 H new ATOM 1456 N GLN A 95 1.865 -7.932 -7.533 1.00 0.00 N ATOM 1457 CA GLN A 95 1.343 -7.046 -8.566 1.00 0.00 C ATOM 1458 C GLN A 95 0.948 -7.834 -9.811 1.00 0.00 C ATOM 1459 O GLN A 95 1.807 -8.323 -10.545 1.00 0.00 O ATOM 1460 CB GLN A 95 2.381 -5.983 -8.929 1.00 0.00 C ATOM 1461 CG GLN A 95 2.318 -4.745 -8.048 1.00 0.00 C ATOM 1462 CD GLN A 95 3.110 -3.584 -8.616 1.00 0.00 C ATOM 1463 OE1 GLN A 95 3.502 -3.596 -9.783 1.00 0.00 O ATOM 1464 NE2 GLN A 95 3.350 -2.572 -7.791 1.00 0.00 N ATOM 0 H GLN A 95 2.832 -8.224 -7.677 1.00 0.00 H new ATOM 0 HA GLN A 95 0.453 -6.555 -8.172 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.377 -6.420 -8.857 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.238 -5.687 -9.968 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.278 -4.444 -7.924 1.00 0.00 H new ATOM 0 HG3 GLN A 95 2.699 -4.989 -7.057 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.006 -2.604 -6.831 1.00 0.00 H new ATOM 0 HE22 GLN A 95 3.878 -1.763 -8.117 1.00 0.00 H new