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 54 TYR OH : rot 180:sc= -0.817! USER MOD Set 1.2: A 95 GLN : amide:sc= -0.388! C(o=-1.2!,f=-5.1!) USER MOD Set 2.1: A 24 HIS : no HD1:sc= -2.89! K(o=-2.9!,f=-1.7) USER MOD Set 2.2: A 42 LYS NZ :NH3+ 155:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) 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=-0.067) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.76 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0555) USER MOD Single : A 51 MET CE :methyl -141:sc= -0.199 (180deg=-2.91!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 CYS SG : rot -45:sc= 0.212 USER MOD Single : A 58 GLN : amide:sc= -0.757 X(o=-0.76,f=-0.37) USER MOD Single : A 61 SER OG : rot -173:sc= -0.229 USER MOD Single : A 62 MET CE :methyl -128:sc= -2.36! (180deg=-6.87!) USER MOD Single : A 64 GLN : amide:sc= -4.25! K(o=-4.3!,f=-0.93) USER MOD Single : A 72 GLN : amide:sc= -1.53 K(o=-1.5,f=-0.3) USER MOD Single : A 75 ASN : amide:sc= -0.0386 X(o=-0.039,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc=-0.00317 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.00834 USER MOD Single : A 82 GLN : amide:sc= -1.24 K(o=-1.2,f=-0.4) USER MOD Single : A 85 MET CE :methyl 177:sc= -4.93! (180deg=-4.95!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 307 N HIS A 24 7.160 8.243 12.409 1.00 0.00 N ATOM 308 CA HIS A 24 6.619 7.403 11.346 1.00 0.00 C ATOM 309 C HIS A 24 7.545 6.225 11.060 1.00 0.00 C ATOM 310 O HIS A 24 8.682 6.188 11.533 1.00 0.00 O ATOM 311 CB HIS A 24 6.411 8.225 10.074 1.00 0.00 C ATOM 312 CG HIS A 24 5.373 9.295 10.214 1.00 0.00 C ATOM 313 ND1 HIS A 24 4.229 9.339 9.445 1.00 0.00 N ATOM 314 CD2 HIS A 24 5.309 10.363 11.043 1.00 0.00 C ATOM 315 CE1 HIS A 24 3.507 10.389 9.793 1.00 0.00 C ATOM 316 NE2 HIS A 24 4.140 11.027 10.761 1.00 0.00 N ATOM 0 HA HIS A 24 5.657 7.013 11.678 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.358 8.684 9.789 1.00 0.00 H new ATOM 0 HB3 HIS A 24 6.124 7.556 9.262 1.00 0.00 H new ATOM 0 HD2 HIS A 24 6.040 10.641 11.787 1.00 0.00 H new ATOM 0 HE1 HIS A 24 2.560 10.677 9.360 1.00 0.00 H new ATOM 0 HE2 HIS A 24 3.814 11.875 11.224 1.00 0.00 H new ATOM 325 N ILE A 25 7.051 5.265 10.285 1.00 0.00 N ATOM 326 CA ILE A 25 7.835 4.087 9.936 1.00 0.00 C ATOM 327 C ILE A 25 7.838 3.855 8.429 1.00 0.00 C ATOM 328 O ILE A 25 6.803 3.962 7.773 1.00 0.00 O ATOM 329 CB ILE A 25 7.297 2.826 10.638 1.00 0.00 C ATOM 330 CG1 ILE A 25 5.841 2.576 10.241 1.00 0.00 C ATOM 331 CG2 ILE A 25 7.424 2.964 12.148 1.00 0.00 C ATOM 332 CD1 ILE A 25 5.225 1.375 10.924 1.00 0.00 C ATOM 0 H ILE A 25 6.112 5.280 9.887 1.00 0.00 H new ATOM 0 HA ILE A 25 8.854 4.274 10.274 1.00 0.00 H new ATOM 0 HB ILE A 25 7.892 1.970 10.320 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.251 3.461 10.479 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.786 2.437 9.161 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.039 2.065 12.629 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.472 3.098 12.414 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.851 3.828 12.484 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.192 1.259 10.595 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.791 0.480 10.666 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.247 1.520 12.004 1.00 0.00 H new ATOM 344 N ASN A 26 9.008 3.534 7.888 1.00 0.00 N ATOM 345 CA ASN A 26 9.146 3.285 6.457 1.00 0.00 C ATOM 346 C ASN A 26 9.165 1.787 6.165 1.00 0.00 C ATOM 347 O ASN A 26 10.055 1.067 6.619 1.00 0.00 O ATOM 348 CB ASN A 26 10.424 3.936 5.926 1.00 0.00 C ATOM 349 CG ASN A 26 10.365 5.451 5.974 1.00 0.00 C ATOM 350 OD1 ASN A 26 9.961 6.098 5.009 1.00 0.00 O ATOM 351 ND2 ASN A 26 10.768 6.022 7.103 1.00 0.00 N ATOM 0 H ASN A 26 9.874 3.440 8.418 1.00 0.00 H new ATOM 0 HA ASN A 26 8.286 3.725 5.952 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.275 3.590 6.512 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.592 3.614 4.898 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.750 7.038 7.195 1.00 0.00 H new ATOM 0 HD22 ASN A 26 11.095 5.445 7.878 1.00 0.00 H new ATOM 358 N LEU A 27 8.179 1.326 5.405 1.00 0.00 N ATOM 359 CA LEU A 27 8.082 -0.086 5.051 1.00 0.00 C ATOM 360 C LEU A 27 8.368 -0.296 3.567 1.00 0.00 C ATOM 361 O LEU A 27 7.724 0.307 2.708 1.00 0.00 O ATOM 362 CB LEU A 27 6.692 -0.625 5.395 1.00 0.00 C ATOM 363 CG LEU A 27 5.999 0.026 6.593 1.00 0.00 C ATOM 364 CD1 LEU A 27 4.531 -0.369 6.638 1.00 0.00 C ATOM 365 CD2 LEU A 27 6.697 -0.360 7.888 1.00 0.00 C ATOM 0 H LEU A 27 7.435 1.909 5.022 1.00 0.00 H new ATOM 0 HA LEU A 27 8.829 -0.631 5.628 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.051 -0.506 4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.776 -1.695 5.586 1.00 0.00 H new ATOM 0 HG LEU A 27 6.060 1.108 6.480 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.053 0.103 7.497 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.038 -0.041 5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.448 -1.452 6.727 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.190 0.112 8.729 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.668 -1.443 8.008 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.734 -0.027 7.856 1.00 0.00 H new ATOM 377 N LYS A 28 9.336 -1.157 3.273 1.00 0.00 N ATOM 378 CA LYS A 28 9.706 -1.451 1.893 1.00 0.00 C ATOM 379 C LYS A 28 8.910 -2.637 1.358 1.00 0.00 C ATOM 380 O LYS A 28 9.108 -3.775 1.785 1.00 0.00 O ATOM 381 CB LYS A 28 11.205 -1.744 1.797 1.00 0.00 C ATOM 382 CG LYS A 28 12.070 -0.496 1.814 1.00 0.00 C ATOM 383 CD LYS A 28 13.482 -0.804 2.285 1.00 0.00 C ATOM 384 CE LYS A 28 13.603 -0.689 3.797 1.00 0.00 C ATOM 385 NZ LYS A 28 14.665 -1.582 4.338 1.00 0.00 N ATOM 0 H LYS A 28 9.879 -1.664 3.972 1.00 0.00 H new ATOM 0 HA LYS A 28 9.473 -0.576 1.286 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.495 -2.388 2.627 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.400 -2.299 0.879 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.105 -0.063 0.815 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.621 0.250 2.470 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.759 -1.811 1.972 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.183 -0.118 1.810 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.825 0.344 4.066 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.648 -0.940 4.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.716 -1.474 5.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.441 -2.570 4.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.581 -1.326 3.918 1.00 0.00 H new ATOM 399 N VAL A 29 8.009 -2.364 0.418 1.00 0.00 N ATOM 400 CA VAL A 29 7.186 -3.409 -0.178 1.00 0.00 C ATOM 401 C VAL A 29 7.859 -4.004 -1.409 1.00 0.00 C ATOM 402 O VAL A 29 8.377 -3.278 -2.258 1.00 0.00 O ATOM 403 CB VAL A 29 5.798 -2.871 -0.574 1.00 0.00 C ATOM 404 CG1 VAL A 29 4.887 -4.011 -1.006 1.00 0.00 C ATOM 405 CG2 VAL A 29 5.180 -2.092 0.577 1.00 0.00 C ATOM 0 H VAL A 29 7.831 -1.428 0.054 1.00 0.00 H new ATOM 0 HA VAL A 29 7.065 -4.186 0.577 1.00 0.00 H new ATOM 0 HB VAL A 29 5.918 -2.193 -1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.911 -3.612 -1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.326 -4.522 -1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.771 -4.716 -0.183 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.200 -1.719 0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.072 -2.746 1.442 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.825 -1.252 0.835 1.00 0.00 H new ATOM 415 N ALA A 30 7.847 -5.330 -1.501 1.00 0.00 N ATOM 416 CA ALA A 30 8.454 -6.023 -2.630 1.00 0.00 C ATOM 417 C ALA A 30 7.407 -6.790 -3.431 1.00 0.00 C ATOM 418 O ALA A 30 6.709 -7.649 -2.895 1.00 0.00 O ATOM 419 CB ALA A 30 9.546 -6.966 -2.146 1.00 0.00 C ATOM 0 H ALA A 30 7.423 -5.946 -0.807 1.00 0.00 H new ATOM 0 HA ALA A 30 8.900 -5.275 -3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.991 -7.477 -3.000 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.314 -6.396 -1.624 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.116 -7.702 -1.466 1.00 0.00 H new ATOM 479 N VAL A 36 11.132 -1.577 -5.906 1.00 0.00 N ATOM 480 CA VAL A 36 10.708 -1.551 -4.511 1.00 0.00 C ATOM 481 C VAL A 36 9.904 -0.293 -4.204 1.00 0.00 C ATOM 482 O VAL A 36 10.313 0.817 -4.546 1.00 0.00 O ATOM 483 CB VAL A 36 11.915 -1.622 -3.557 1.00 0.00 C ATOM 484 CG1 VAL A 36 11.465 -1.451 -2.114 1.00 0.00 C ATOM 485 CG2 VAL A 36 12.662 -2.935 -3.739 1.00 0.00 C ATOM 0 HA VAL A 36 10.079 -2.427 -4.355 1.00 0.00 H new ATOM 0 HB VAL A 36 12.596 -0.807 -3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.331 -1.504 -1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.978 -0.483 -1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.763 -2.244 -1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.512 -2.968 -3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.992 -3.768 -3.524 1.00 0.00 H new ATOM 0 HG23 VAL A 36 13.018 -3.012 -4.766 1.00 0.00 H new ATOM 495 N VAL A 37 8.758 -0.474 -3.557 1.00 0.00 N ATOM 496 CA VAL A 37 7.896 0.648 -3.201 1.00 0.00 C ATOM 497 C VAL A 37 7.910 0.897 -1.697 1.00 0.00 C ATOM 498 O VAL A 37 7.583 0.010 -0.909 1.00 0.00 O ATOM 499 CB VAL A 37 6.444 0.406 -3.657 1.00 0.00 C ATOM 500 CG1 VAL A 37 5.728 1.729 -3.881 1.00 0.00 C ATOM 501 CG2 VAL A 37 6.417 -0.445 -4.918 1.00 0.00 C ATOM 0 H VAL A 37 8.404 -1.386 -3.268 1.00 0.00 H new ATOM 0 HA VAL A 37 8.290 1.525 -3.715 1.00 0.00 H new ATOM 0 HB VAL A 37 5.919 -0.135 -2.870 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.704 1.539 -4.203 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.717 2.298 -2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.250 2.299 -4.650 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.384 -0.606 -5.226 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.957 0.067 -5.714 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.890 -1.406 -4.718 1.00 0.00 H new ATOM 511 N GLN A 38 8.290 2.109 -1.307 1.00 0.00 N ATOM 512 CA GLN A 38 8.347 2.474 0.103 1.00 0.00 C ATOM 513 C GLN A 38 7.125 3.296 0.502 1.00 0.00 C ATOM 514 O GLN A 38 6.484 3.923 -0.341 1.00 0.00 O ATOM 515 CB GLN A 38 9.625 3.262 0.397 1.00 0.00 C ATOM 516 CG GLN A 38 10.882 2.407 0.391 1.00 0.00 C ATOM 517 CD GLN A 38 12.126 3.201 0.045 1.00 0.00 C ATOM 518 OE1 GLN A 38 12.300 4.333 0.496 1.00 0.00 O ATOM 519 NE2 GLN A 38 13.000 2.610 -0.761 1.00 0.00 N ATOM 0 H GLN A 38 8.563 2.855 -1.947 1.00 0.00 H new ATOM 0 HA GLN A 38 8.352 1.556 0.690 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.731 4.055 -0.343 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.529 3.745 1.369 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.009 1.948 1.371 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.762 1.596 -0.327 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.816 1.670 -1.112 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.856 3.096 -1.029 1.00 0.00 H new ATOM 528 N PHE A 39 6.809 3.287 1.793 1.00 0.00 N ATOM 529 CA PHE A 39 5.663 4.031 2.304 1.00 0.00 C ATOM 530 C PHE A 39 5.933 4.544 3.715 1.00 0.00 C ATOM 531 O PHE A 39 6.381 3.797 4.585 1.00 0.00 O ATOM 532 CB PHE A 39 4.413 3.148 2.300 1.00 0.00 C ATOM 533 CG PHE A 39 4.007 2.689 0.929 1.00 0.00 C ATOM 534 CD1 PHE A 39 4.571 1.554 0.370 1.00 0.00 C ATOM 535 CD2 PHE A 39 3.061 3.391 0.200 1.00 0.00 C ATOM 536 CE1 PHE A 39 4.200 1.129 -0.892 1.00 0.00 C ATOM 537 CE2 PHE A 39 2.686 2.971 -1.062 1.00 0.00 C ATOM 538 CZ PHE A 39 3.256 1.838 -1.609 1.00 0.00 C ATOM 0 H PHE A 39 7.330 2.773 2.504 1.00 0.00 H new ATOM 0 HA PHE A 39 5.497 4.888 1.651 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.592 2.275 2.928 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.587 3.700 2.749 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.309 0.995 0.926 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.611 4.277 0.623 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.648 0.243 -1.317 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.948 3.528 -1.620 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.964 1.507 -2.595 1.00 0.00 H new ATOM 548 N LYS A 40 5.658 5.825 3.935 1.00 0.00 N ATOM 549 CA LYS A 40 5.870 6.441 5.239 1.00 0.00 C ATOM 550 C LYS A 40 4.540 6.730 5.927 1.00 0.00 C ATOM 551 O LYS A 40 3.807 7.634 5.526 1.00 0.00 O ATOM 552 CB LYS A 40 6.672 7.736 5.091 1.00 0.00 C ATOM 553 CG LYS A 40 6.856 8.490 6.397 1.00 0.00 C ATOM 554 CD LYS A 40 7.497 9.849 6.170 1.00 0.00 C ATOM 555 CE LYS A 40 7.777 10.560 7.485 1.00 0.00 C ATOM 556 NZ LYS A 40 9.026 10.066 8.127 1.00 0.00 N ATOM 0 H LYS A 40 5.287 6.457 3.226 1.00 0.00 H new ATOM 0 HA LYS A 40 6.434 5.741 5.856 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.652 7.501 4.676 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.169 8.385 4.374 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.889 8.619 6.883 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.477 7.902 7.073 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.428 9.725 5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.840 10.464 5.555 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.859 11.632 7.308 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.937 10.413 8.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.182 10.575 9.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.938 9.048 8.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.832 10.230 7.490 1.00 0.00 H new ATOM 570 N ILE A 41 4.235 5.957 6.964 1.00 0.00 N ATOM 571 CA ILE A 41 2.994 6.133 7.709 1.00 0.00 C ATOM 572 C ILE A 41 3.258 6.203 9.209 1.00 0.00 C ATOM 573 O ILE A 41 4.404 6.128 9.653 1.00 0.00 O ATOM 574 CB ILE A 41 2.001 4.990 7.426 1.00 0.00 C ATOM 575 CG1 ILE A 41 2.453 3.708 8.129 1.00 0.00 C ATOM 576 CG2 ILE A 41 1.871 4.760 5.928 1.00 0.00 C ATOM 577 CD1 ILE A 41 1.420 2.604 8.093 1.00 0.00 C ATOM 0 H ILE A 41 4.830 5.203 7.307 1.00 0.00 H new ATOM 0 HA ILE A 41 2.557 7.074 7.376 1.00 0.00 H new ATOM 0 HB ILE A 41 1.023 5.272 7.817 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.371 3.351 7.662 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.692 3.937 9.167 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.166 3.949 5.744 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.510 5.671 5.450 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.844 4.495 5.515 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.808 1.726 8.610 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.509 2.942 8.586 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.198 2.347 7.057 1.00 0.00 H new ATOM 589 N LYS A 42 2.190 6.345 9.986 1.00 0.00 N ATOM 590 CA LYS A 42 2.304 6.422 11.438 1.00 0.00 C ATOM 591 C LYS A 42 2.073 5.056 12.075 1.00 0.00 C ATOM 592 O LYS A 42 1.669 4.107 11.402 1.00 0.00 O ATOM 593 CB LYS A 42 1.299 7.433 11.996 1.00 0.00 C ATOM 594 CG LYS A 42 1.224 8.721 11.195 1.00 0.00 C ATOM 595 CD LYS A 42 0.039 9.573 11.618 1.00 0.00 C ATOM 596 CE LYS A 42 -0.237 10.683 10.615 1.00 0.00 C ATOM 597 NZ LYS A 42 0.608 11.882 10.869 1.00 0.00 N ATOM 0 H LYS A 42 1.235 6.409 9.634 1.00 0.00 H new ATOM 0 HA LYS A 42 3.314 6.751 11.681 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.311 6.974 12.023 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.568 7.670 13.025 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.146 9.287 11.328 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.144 8.486 10.134 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.845 8.944 11.718 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.234 10.008 12.598 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.052 10.315 9.606 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.289 10.963 10.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.722 12.420 9.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.151 12.483 11.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.542 11.582 11.214 1.00 0.00 H new ATOM 611 N ARG A 43 2.331 4.963 13.375 1.00 0.00 N ATOM 612 CA ARG A 43 2.151 3.712 14.102 1.00 0.00 C ATOM 613 C ARG A 43 0.671 3.440 14.357 1.00 0.00 C ATOM 614 O ARG A 43 0.210 2.303 14.249 1.00 0.00 O ATOM 615 CB ARG A 43 2.909 3.756 15.430 1.00 0.00 C ATOM 616 CG ARG A 43 4.418 3.669 15.273 1.00 0.00 C ATOM 617 CD ARG A 43 5.045 5.048 15.142 1.00 0.00 C ATOM 618 NE ARG A 43 6.409 4.982 14.623 1.00 0.00 N ATOM 619 CZ ARG A 43 7.446 4.557 15.336 1.00 0.00 C ATOM 620 NH1 ARG A 43 7.276 4.162 16.590 1.00 0.00 N ATOM 621 NH2 ARG A 43 8.657 4.527 14.794 1.00 0.00 N ATOM 0 H ARG A 43 2.665 5.739 13.947 1.00 0.00 H new ATOM 0 HA ARG A 43 2.551 2.904 13.490 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.659 4.680 15.951 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.570 2.934 16.060 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.845 3.154 16.133 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.660 3.073 14.393 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.435 5.662 14.480 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.051 5.538 16.116 1.00 0.00 H new ATOM 0 HE ARG A 43 6.574 5.278 13.661 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.347 4.184 17.010 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.074 3.836 17.135 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.792 4.830 13.830 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.453 4.201 15.342 1.00 0.00 H new ATOM 635 N HIS A 44 -0.068 4.491 14.698 1.00 0.00 N ATOM 636 CA HIS A 44 -1.496 4.365 14.969 1.00 0.00 C ATOM 637 C HIS A 44 -2.304 4.459 13.678 1.00 0.00 C ATOM 638 O HIS A 44 -3.530 4.336 13.690 1.00 0.00 O ATOM 639 CB HIS A 44 -1.948 5.449 15.948 1.00 0.00 C ATOM 640 CG HIS A 44 -2.349 6.729 15.281 1.00 0.00 C ATOM 641 ND1 HIS A 44 -3.660 7.143 15.173 1.00 0.00 N ATOM 642 CD2 HIS A 44 -1.603 7.689 14.688 1.00 0.00 C ATOM 643 CE1 HIS A 44 -3.703 8.301 14.540 1.00 0.00 C ATOM 644 NE2 HIS A 44 -2.468 8.655 14.235 1.00 0.00 N ATOM 0 H HIS A 44 0.298 5.438 14.793 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.671 3.387 15.416 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.789 5.073 16.530 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.140 5.653 16.650 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.528 7.695 14.589 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.596 8.863 14.311 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -2.200 9.507 13.743 1.00 0.00 H new ATOM 653 N THR A 45 -1.611 4.680 12.566 1.00 0.00 N ATOM 654 CA THR A 45 -2.263 4.793 11.268 1.00 0.00 C ATOM 655 C THR A 45 -2.474 3.422 10.637 1.00 0.00 C ATOM 656 O THR A 45 -1.544 2.627 10.497 1.00 0.00 O ATOM 657 CB THR A 45 -1.445 5.670 10.302 1.00 0.00 C ATOM 658 OG1 THR A 45 -1.515 7.042 10.705 1.00 0.00 O ATOM 659 CG2 THR A 45 -1.957 5.528 8.876 1.00 0.00 C ATOM 0 H THR A 45 -0.597 4.784 12.538 1.00 0.00 H new ATOM 0 HA THR A 45 -3.231 5.263 11.441 1.00 0.00 H new ATOM 0 HB THR A 45 -0.408 5.336 10.334 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.991 7.592 10.086 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.364 6.157 8.212 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.873 4.488 8.561 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.001 5.838 8.832 1.00 0.00 H new ATOM 667 N PRO A 46 -3.725 3.135 10.246 1.00 0.00 N ATOM 668 CA PRO A 46 -4.086 1.859 9.622 1.00 0.00 C ATOM 669 C PRO A 46 -3.509 1.716 8.217 1.00 0.00 C ATOM 670 O PRO A 46 -3.612 2.630 7.397 1.00 0.00 O ATOM 671 CB PRO A 46 -5.615 1.910 9.569 1.00 0.00 C ATOM 672 CG PRO A 46 -5.945 3.362 9.559 1.00 0.00 C ATOM 673 CD PRO A 46 -4.882 4.035 10.382 1.00 0.00 C ATOM 0 HA PRO A 46 -3.693 1.008 10.178 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.997 1.411 8.678 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.058 1.409 10.430 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.956 3.752 8.541 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.935 3.540 9.979 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.659 5.035 10.010 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.187 4.142 11.423 1.00 0.00 H new ATOM 681 N LEU A 47 -2.903 0.566 7.946 1.00 0.00 N ATOM 682 CA LEU A 47 -2.310 0.303 6.639 1.00 0.00 C ATOM 683 C LEU A 47 -3.242 0.752 5.518 1.00 0.00 C ATOM 684 O LEU A 47 -2.799 1.033 4.404 1.00 0.00 O ATOM 685 CB LEU A 47 -1.995 -1.186 6.490 1.00 0.00 C ATOM 686 CG LEU A 47 -1.046 -1.779 7.532 1.00 0.00 C ATOM 687 CD1 LEU A 47 -0.844 -3.266 7.284 1.00 0.00 C ATOM 688 CD2 LEU A 47 0.288 -1.047 7.516 1.00 0.00 C ATOM 0 H LEU A 47 -2.809 -0.200 8.613 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.384 0.873 6.567 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.933 -1.740 6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.565 -1.349 5.502 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.494 -1.654 8.518 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.166 -3.671 8.035 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.804 -3.779 7.347 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.418 -3.415 6.292 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.951 -1.482 8.264 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.743 -1.141 6.530 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.127 0.007 7.743 1.00 0.00 H new ATOM 700 N SER A 48 -4.534 0.820 5.821 1.00 0.00 N ATOM 701 CA SER A 48 -5.529 1.234 4.839 1.00 0.00 C ATOM 702 C SER A 48 -4.959 2.293 3.900 1.00 0.00 C ATOM 703 O SER A 48 -4.980 2.135 2.680 1.00 0.00 O ATOM 704 CB SER A 48 -6.776 1.776 5.541 1.00 0.00 C ATOM 705 OG SER A 48 -7.855 1.912 4.632 1.00 0.00 O ATOM 0 H SER A 48 -4.916 0.594 6.739 1.00 0.00 H new ATOM 0 HA SER A 48 -5.805 0.360 4.248 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.061 1.105 6.351 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.552 2.743 5.992 1.00 0.00 H new ATOM 0 HG SER A 48 -8.640 2.258 5.106 1.00 0.00 H new ATOM 711 N LYS A 49 -4.449 3.374 4.480 1.00 0.00 N ATOM 712 CA LYS A 49 -3.870 4.461 3.698 1.00 0.00 C ATOM 713 C LYS A 49 -2.675 3.972 2.888 1.00 0.00 C ATOM 714 O LYS A 49 -2.528 4.311 1.713 1.00 0.00 O ATOM 715 CB LYS A 49 -3.442 5.606 4.618 1.00 0.00 C ATOM 716 CG LYS A 49 -4.577 6.545 4.990 1.00 0.00 C ATOM 717 CD LYS A 49 -4.296 7.271 6.295 1.00 0.00 C ATOM 718 CE LYS A 49 -4.666 6.418 7.498 1.00 0.00 C ATOM 719 NZ LYS A 49 -6.136 6.404 7.737 1.00 0.00 N ATOM 0 H LYS A 49 -4.425 3.521 5.489 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.631 4.823 3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.014 5.188 5.529 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.654 6.178 4.129 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.724 7.273 4.192 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.504 5.979 5.080 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.240 7.535 6.346 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.859 8.204 6.322 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.314 5.398 7.342 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.158 6.799 8.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.339 5.897 8.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.485 7.381 7.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.612 5.924 6.946 1.00 0.00 H new ATOM 733 N LEU A 50 -1.824 3.172 3.521 1.00 0.00 N ATOM 734 CA LEU A 50 -0.641 2.635 2.858 1.00 0.00 C ATOM 735 C LEU A 50 -1.027 1.851 1.607 1.00 0.00 C ATOM 736 O LEU A 50 -0.534 2.127 0.514 1.00 0.00 O ATOM 737 CB LEU A 50 0.141 1.735 3.817 1.00 0.00 C ATOM 738 CG LEU A 50 0.952 0.611 3.171 1.00 0.00 C ATOM 739 CD1 LEU A 50 1.932 1.176 2.154 1.00 0.00 C ATOM 740 CD2 LEU A 50 1.687 -0.194 4.233 1.00 0.00 C ATOM 0 H LEU A 50 -1.931 2.881 4.493 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.010 3.472 2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.821 2.359 4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.562 1.290 4.521 1.00 0.00 H new ATOM 0 HG LEU A 50 0.264 -0.055 2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.500 0.361 1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.383 1.708 1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.616 1.864 2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.259 -0.990 3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.364 0.460 4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.965 -0.630 4.923 1.00 0.00 H new ATOM 752 N MET A 51 -1.913 0.875 1.777 1.00 0.00 N ATOM 753 CA MET A 51 -2.367 0.054 0.661 1.00 0.00 C ATOM 754 C MET A 51 -2.995 0.917 -0.429 1.00 0.00 C ATOM 755 O MET A 51 -2.625 0.824 -1.600 1.00 0.00 O ATOM 756 CB MET A 51 -3.376 -0.989 1.145 1.00 0.00 C ATOM 757 CG MET A 51 -2.881 -1.811 2.325 1.00 0.00 C ATOM 758 SD MET A 51 -4.221 -2.359 3.400 1.00 0.00 S ATOM 759 CE MET A 51 -3.648 -3.995 3.848 1.00 0.00 C ATOM 0 H MET A 51 -2.330 0.634 2.676 1.00 0.00 H new ATOM 0 HA MET A 51 -1.500 -0.456 0.242 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.301 -0.485 1.426 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.617 -1.660 0.320 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.338 -2.681 1.955 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.174 -1.218 2.905 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.494 -4.682 3.874 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.922 -4.341 3.112 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.179 -3.960 4.831 1.00 0.00 H new ATOM 769 N LYS A 52 -3.947 1.758 -0.037 1.00 0.00 N ATOM 770 CA LYS A 52 -4.626 2.639 -0.980 1.00 0.00 C ATOM 771 C LYS A 52 -3.618 3.443 -1.796 1.00 0.00 C ATOM 772 O LYS A 52 -3.843 3.726 -2.972 1.00 0.00 O ATOM 773 CB LYS A 52 -5.567 3.588 -0.235 1.00 0.00 C ATOM 774 CG LYS A 52 -6.821 2.911 0.292 1.00 0.00 C ATOM 775 CD LYS A 52 -7.997 3.872 0.335 1.00 0.00 C ATOM 776 CE LYS A 52 -8.785 3.848 -0.966 1.00 0.00 C ATOM 777 NZ LYS A 52 -9.878 2.837 -0.934 1.00 0.00 N ATOM 0 H LYS A 52 -4.266 1.848 0.928 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.209 2.020 -1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.029 4.039 0.599 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.856 4.399 -0.903 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.069 2.059 -0.341 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.632 2.521 1.292 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.654 3.608 1.164 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.635 4.883 0.524 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.209 4.835 -1.152 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.112 3.629 -1.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.391 2.852 -1.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.472 1.892 -0.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.535 3.061 -0.159 1.00 0.00 H new ATOM 791 N ALA A 53 -2.507 3.806 -1.164 1.00 0.00 N ATOM 792 CA ALA A 53 -1.464 4.574 -1.832 1.00 0.00 C ATOM 793 C ALA A 53 -0.675 3.700 -2.802 1.00 0.00 C ATOM 794 O ALA A 53 -0.068 4.199 -3.749 1.00 0.00 O ATOM 795 CB ALA A 53 -0.532 5.202 -0.807 1.00 0.00 C ATOM 0 H ALA A 53 -2.306 3.580 -0.190 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.943 5.368 -2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.242 5.773 -1.320 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.101 5.866 -0.156 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.068 4.418 -0.209 1.00 0.00 H new ATOM 801 N TYR A 54 -0.688 2.394 -2.558 1.00 0.00 N ATOM 802 CA TYR A 54 0.029 1.451 -3.408 1.00 0.00 C ATOM 803 C TYR A 54 -0.745 1.179 -4.694 1.00 0.00 C ATOM 804 O TYR A 54 -0.187 1.229 -5.791 1.00 0.00 O ATOM 805 CB TYR A 54 0.273 0.140 -2.659 1.00 0.00 C ATOM 806 CG TYR A 54 1.331 -0.733 -3.294 1.00 0.00 C ATOM 807 CD1 TYR A 54 1.209 -1.159 -4.611 1.00 0.00 C ATOM 808 CD2 TYR A 54 2.453 -1.132 -2.578 1.00 0.00 C ATOM 809 CE1 TYR A 54 2.173 -1.958 -5.196 1.00 0.00 C ATOM 810 CE2 TYR A 54 3.422 -1.929 -3.155 1.00 0.00 C ATOM 811 CZ TYR A 54 3.278 -2.340 -4.464 1.00 0.00 C ATOM 812 OH TYR A 54 4.241 -3.135 -5.042 1.00 0.00 O ATOM 0 H TYR A 54 -1.187 1.965 -1.779 1.00 0.00 H new ATOM 0 HA TYR A 54 0.989 1.895 -3.671 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.568 0.366 -1.634 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.662 -0.418 -2.606 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.346 -0.861 -5.187 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.569 -0.813 -1.553 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.062 -2.281 -6.220 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.288 -2.229 -2.584 1.00 0.00 H new ATOM 0 HH TYR A 54 4.953 -3.312 -4.392 1.00 0.00 H new ATOM 822 N CYS A 55 -2.034 0.890 -4.550 1.00 0.00 N ATOM 823 CA CYS A 55 -2.887 0.609 -5.700 1.00 0.00 C ATOM 824 C CYS A 55 -2.937 1.805 -6.645 1.00 0.00 C ATOM 825 O CYS A 55 -2.919 1.645 -7.865 1.00 0.00 O ATOM 826 CB CYS A 55 -4.300 0.250 -5.237 1.00 0.00 C ATOM 827 SG CYS A 55 -5.315 1.678 -4.788 1.00 0.00 S ATOM 0 H CYS A 55 -2.511 0.844 -3.650 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.462 -0.238 -6.238 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.801 -0.303 -6.031 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.231 -0.417 -4.378 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.619 2.489 -4.048 1.00 0.00 H new ATOM 833 N GLU A 56 -3.002 3.003 -6.073 1.00 0.00 N ATOM 834 CA GLU A 56 -3.057 4.226 -6.865 1.00 0.00 C ATOM 835 C GLU A 56 -1.737 4.462 -7.594 1.00 0.00 C ATOM 836 O GLU A 56 -1.719 4.729 -8.796 1.00 0.00 O ATOM 837 CB GLU A 56 -3.380 5.425 -5.972 1.00 0.00 C ATOM 838 CG GLU A 56 -2.150 6.100 -5.390 1.00 0.00 C ATOM 839 CD GLU A 56 -2.493 7.310 -4.543 1.00 0.00 C ATOM 840 OE1 GLU A 56 -2.852 7.125 -3.361 1.00 0.00 O ATOM 841 OE2 GLU A 56 -2.404 8.442 -5.062 1.00 0.00 O ATOM 0 H GLU A 56 -3.018 3.153 -5.064 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.847 4.112 -7.607 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.946 6.156 -6.550 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.024 5.097 -5.156 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.599 5.381 -4.783 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.490 6.405 -6.202 1.00 0.00 H new ATOM 848 N ARG A 57 -0.635 4.361 -6.858 1.00 0.00 N ATOM 849 CA ARG A 57 0.689 4.565 -7.433 1.00 0.00 C ATOM 850 C ARG A 57 0.798 3.893 -8.798 1.00 0.00 C ATOM 851 O ARG A 57 1.248 4.504 -9.767 1.00 0.00 O ATOM 852 CB ARG A 57 1.765 4.017 -6.495 1.00 0.00 C ATOM 853 CG ARG A 57 3.114 3.817 -7.167 1.00 0.00 C ATOM 854 CD ARG A 57 4.091 3.097 -6.250 1.00 0.00 C ATOM 855 NE ARG A 57 4.849 4.028 -5.419 1.00 0.00 N ATOM 856 CZ ARG A 57 5.689 4.934 -5.908 1.00 0.00 C ATOM 857 NH1 ARG A 57 5.876 5.031 -7.217 1.00 0.00 N ATOM 858 NH2 ARG A 57 6.342 5.746 -5.087 1.00 0.00 N ATOM 0 H ARG A 57 -0.633 4.139 -5.862 1.00 0.00 H new ATOM 0 HA ARG A 57 0.841 5.637 -7.562 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.885 4.701 -5.655 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.428 3.065 -6.086 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.983 3.243 -8.084 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.527 4.785 -7.453 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.544 2.403 -5.611 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.780 2.503 -6.850 1.00 0.00 H new ATOM 0 HE ARG A 57 4.727 3.980 -4.407 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.374 4.409 -7.851 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.521 5.727 -7.590 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.199 5.675 -4.079 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.987 6.441 -5.463 1.00 0.00 H new ATOM 872 N GLN A 58 0.384 2.632 -8.866 1.00 0.00 N ATOM 873 CA GLN A 58 0.437 1.876 -10.112 1.00 0.00 C ATOM 874 C GLN A 58 -0.883 1.982 -10.869 1.00 0.00 C ATOM 875 O GLN A 58 -0.946 1.717 -12.069 1.00 0.00 O ATOM 876 CB GLN A 58 0.761 0.409 -9.830 1.00 0.00 C ATOM 877 CG GLN A 58 2.099 0.203 -9.139 1.00 0.00 C ATOM 878 CD GLN A 58 3.267 0.696 -9.971 1.00 0.00 C ATOM 879 OE1 GLN A 58 3.293 0.524 -11.189 1.00 0.00 O ATOM 880 NE2 GLN A 58 4.241 1.315 -9.314 1.00 0.00 N ATOM 0 H GLN A 58 0.008 2.112 -8.073 1.00 0.00 H new ATOM 0 HA GLN A 58 1.226 2.301 -10.733 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.028 -0.016 -9.209 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.759 -0.142 -10.770 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.094 0.725 -8.182 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.233 -0.857 -8.923 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.178 1.436 -8.303 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.052 1.670 -9.820 1.00 0.00 H new ATOM 889 N GLY A 59 -1.938 2.370 -10.159 1.00 0.00 N ATOM 890 CA GLY A 59 -3.243 2.503 -10.780 1.00 0.00 C ATOM 891 C GLY A 59 -4.016 1.200 -10.788 1.00 0.00 C ATOM 892 O GLY A 59 -4.930 1.016 -11.593 1.00 0.00 O ATOM 0 H GLY A 59 -1.912 2.595 -9.164 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.819 3.261 -10.249 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.120 2.856 -11.804 1.00 0.00 H new ATOM 896 N LEU A 60 -3.650 0.291 -9.891 1.00 0.00 N ATOM 897 CA LEU A 60 -4.315 -1.004 -9.798 1.00 0.00 C ATOM 898 C LEU A 60 -5.392 -0.987 -8.718 1.00 0.00 C ATOM 899 O LEU A 60 -5.649 0.046 -8.100 1.00 0.00 O ATOM 900 CB LEU A 60 -3.295 -2.104 -9.500 1.00 0.00 C ATOM 901 CG LEU A 60 -1.932 -1.957 -10.179 1.00 0.00 C ATOM 902 CD1 LEU A 60 -0.901 -2.849 -9.504 1.00 0.00 C ATOM 903 CD2 LEU A 60 -2.037 -2.286 -11.661 1.00 0.00 C ATOM 0 H LEU A 60 -2.896 0.427 -9.218 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.791 -1.209 -10.757 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.139 -2.145 -8.422 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.725 -3.061 -9.796 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.607 -0.921 -10.079 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.062 -2.731 -10.000 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.806 -2.566 -8.456 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.220 -3.889 -9.572 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.058 -2.176 -12.128 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.384 -3.312 -11.782 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.744 -1.606 -12.136 1.00 0.00 H new ATOM 915 N SER A 61 -6.017 -2.139 -8.494 1.00 0.00 N ATOM 916 CA SER A 61 -7.067 -2.256 -7.489 1.00 0.00 C ATOM 917 C SER A 61 -6.542 -2.945 -6.233 1.00 0.00 C ATOM 918 O SER A 61 -5.776 -3.905 -6.313 1.00 0.00 O ATOM 919 CB SER A 61 -8.257 -3.035 -8.053 1.00 0.00 C ATOM 920 OG SER A 61 -9.346 -3.029 -7.147 1.00 0.00 O ATOM 0 H SER A 61 -5.814 -3.004 -8.995 1.00 0.00 H new ATOM 0 HA SER A 61 -7.394 -1.251 -7.221 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.567 -2.596 -9.001 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.958 -4.062 -8.260 1.00 0.00 H new ATOM 0 HG SER A 61 -10.051 -3.622 -7.480 1.00 0.00 H new ATOM 926 N MET A 62 -6.962 -2.448 -5.074 1.00 0.00 N ATOM 927 CA MET A 62 -6.535 -3.016 -3.801 1.00 0.00 C ATOM 928 C MET A 62 -6.749 -4.526 -3.780 1.00 0.00 C ATOM 929 O MET A 62 -5.836 -5.287 -3.459 1.00 0.00 O ATOM 930 CB MET A 62 -7.300 -2.366 -2.646 1.00 0.00 C ATOM 931 CG MET A 62 -7.030 -0.877 -2.501 1.00 0.00 C ATOM 932 SD MET A 62 -5.650 -0.526 -1.396 1.00 0.00 S ATOM 933 CE MET A 62 -6.367 -0.955 0.188 1.00 0.00 C ATOM 0 H MET A 62 -7.597 -1.654 -4.990 1.00 0.00 H new ATOM 0 HA MET A 62 -5.470 -2.816 -3.682 1.00 0.00 H new ATOM 0 HB2 MET A 62 -8.369 -2.520 -2.796 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.033 -2.868 -1.716 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.821 -0.452 -3.483 1.00 0.00 H new ATOM 0 HG3 MET A 62 -7.926 -0.384 -2.124 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.234 -0.127 0.884 1.00 0.00 H new ATOM 0 HE2 MET A 62 -7.431 -1.157 0.063 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.873 -1.843 0.582 1.00 0.00 H new ATOM 943 N ARG A 63 -7.960 -4.953 -4.124 1.00 0.00 N ATOM 944 CA ARG A 63 -8.293 -6.372 -4.144 1.00 0.00 C ATOM 945 C ARG A 63 -7.429 -7.120 -5.155 1.00 0.00 C ATOM 946 O ARG A 63 -7.043 -8.266 -4.928 1.00 0.00 O ATOM 947 CB ARG A 63 -9.773 -6.566 -4.479 1.00 0.00 C ATOM 948 CG ARG A 63 -10.157 -6.051 -5.857 1.00 0.00 C ATOM 949 CD ARG A 63 -11.617 -5.627 -5.906 1.00 0.00 C ATOM 950 NE ARG A 63 -12.521 -6.774 -5.888 1.00 0.00 N ATOM 951 CZ ARG A 63 -13.789 -6.704 -5.498 1.00 0.00 C ATOM 952 NH1 ARG A 63 -14.300 -5.549 -5.096 1.00 0.00 N ATOM 953 NH2 ARG A 63 -14.549 -7.792 -5.509 1.00 0.00 N ATOM 0 H ARG A 63 -8.727 -4.336 -4.393 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.096 -6.779 -3.152 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.015 -7.627 -4.416 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.377 -6.056 -3.728 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.522 -5.205 -6.120 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.977 -6.828 -6.600 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.835 -4.980 -5.056 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.794 -5.040 -6.807 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.159 -7.678 -6.191 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.719 -4.711 -5.085 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -15.274 -5.499 -4.797 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.160 -8.683 -5.817 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.522 -7.737 -5.209 1.00 0.00 H new ATOM 967 N GLN A 64 -7.130 -6.462 -6.271 1.00 0.00 N ATOM 968 CA GLN A 64 -6.313 -7.066 -7.317 1.00 0.00 C ATOM 969 C GLN A 64 -4.963 -7.511 -6.764 1.00 0.00 C ATOM 970 O GLN A 64 -4.474 -8.593 -7.092 1.00 0.00 O ATOM 971 CB GLN A 64 -6.106 -6.077 -8.466 1.00 0.00 C ATOM 972 CG GLN A 64 -5.334 -6.660 -9.638 1.00 0.00 C ATOM 973 CD GLN A 64 -4.823 -5.594 -10.587 1.00 0.00 C ATOM 974 OE1 GLN A 64 -5.552 -5.121 -11.459 1.00 0.00 O ATOM 975 NE2 GLN A 64 -3.562 -5.209 -10.423 1.00 0.00 N ATOM 0 H GLN A 64 -7.441 -5.512 -6.474 1.00 0.00 H new ATOM 0 HA GLN A 64 -6.838 -7.944 -7.693 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -7.079 -5.732 -8.818 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.575 -5.203 -8.090 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.492 -7.240 -9.261 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.977 -7.350 -10.185 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.993 -5.627 -9.687 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.163 -4.495 -11.033 1.00 0.00 H new ATOM 984 N ILE A 65 -4.367 -6.671 -5.925 1.00 0.00 N ATOM 985 CA ILE A 65 -3.074 -6.979 -5.327 1.00 0.00 C ATOM 986 C ILE A 65 -3.236 -7.482 -3.896 1.00 0.00 C ATOM 987 O ILE A 65 -4.195 -7.130 -3.209 1.00 0.00 O ATOM 988 CB ILE A 65 -2.147 -5.749 -5.325 1.00 0.00 C ATOM 989 CG1 ILE A 65 -2.742 -4.636 -4.460 1.00 0.00 C ATOM 990 CG2 ILE A 65 -1.917 -5.258 -6.747 1.00 0.00 C ATOM 991 CD1 ILE A 65 -1.789 -3.487 -4.215 1.00 0.00 C ATOM 0 H ILE A 65 -4.759 -5.772 -5.644 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.623 -7.762 -5.936 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.185 -6.037 -4.901 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.642 -4.254 -4.942 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.047 -5.056 -3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.260 -4.388 -6.730 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.455 -6.051 -7.335 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.871 -4.983 -7.196 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.277 -2.735 -3.595 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.899 -3.855 -3.705 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.503 -3.042 -5.168 1.00 0.00 H new ATOM 1003 N ARG A 66 -2.291 -8.305 -3.454 1.00 0.00 N ATOM 1004 CA ARG A 66 -2.329 -8.856 -2.104 1.00 0.00 C ATOM 1005 C ARG A 66 -1.192 -8.293 -1.256 1.00 0.00 C ATOM 1006 O ARG A 66 -0.161 -7.873 -1.781 1.00 0.00 O ATOM 1007 CB ARG A 66 -2.237 -10.382 -2.151 1.00 0.00 C ATOM 1008 CG ARG A 66 -3.584 -11.069 -2.302 1.00 0.00 C ATOM 1009 CD ARG A 66 -4.581 -10.185 -3.035 1.00 0.00 C ATOM 1010 NE ARG A 66 -5.677 -10.958 -3.613 1.00 0.00 N ATOM 1011 CZ ARG A 66 -5.566 -11.673 -4.727 1.00 0.00 C ATOM 1012 NH1 ARG A 66 -4.412 -11.712 -5.380 1.00 0.00 N ATOM 1013 NH2 ARG A 66 -6.609 -12.350 -5.190 1.00 0.00 N ATOM 0 H ARG A 66 -1.490 -8.605 -4.010 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.276 -8.570 -1.647 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.595 -10.673 -2.982 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -1.758 -10.737 -1.239 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.457 -12.005 -2.846 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.977 -11.323 -1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.985 -9.444 -2.345 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.067 -9.638 -3.825 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.578 -10.948 -3.135 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.608 -11.193 -5.027 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.328 -12.261 -6.235 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.498 -12.322 -4.690 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.522 -12.898 -6.046 1.00 0.00 H new ATOM 1027 N PHE A 67 -1.389 -8.286 0.058 1.00 0.00 N ATOM 1028 CA PHE A 67 -0.382 -7.774 0.980 1.00 0.00 C ATOM 1029 C PHE A 67 -0.038 -8.813 2.043 1.00 0.00 C ATOM 1030 O PHE A 67 -0.870 -9.646 2.404 1.00 0.00 O ATOM 1031 CB PHE A 67 -0.878 -6.489 1.648 1.00 0.00 C ATOM 1032 CG PHE A 67 -1.142 -5.373 0.678 1.00 0.00 C ATOM 1033 CD1 PHE A 67 -2.285 -5.373 -0.105 1.00 0.00 C ATOM 1034 CD2 PHE A 67 -0.247 -4.323 0.551 1.00 0.00 C ATOM 1035 CE1 PHE A 67 -2.530 -4.347 -0.998 1.00 0.00 C ATOM 1036 CE2 PHE A 67 -0.487 -3.294 -0.341 1.00 0.00 C ATOM 1037 CZ PHE A 67 -1.630 -3.306 -1.115 1.00 0.00 C ATOM 0 H PHE A 67 -2.237 -8.629 0.509 1.00 0.00 H new ATOM 0 HA PHE A 67 0.519 -7.554 0.408 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.793 -6.705 2.199 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.138 -6.159 2.377 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.993 -6.184 -0.017 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.648 -4.308 1.155 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.424 -4.359 -1.604 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.219 -2.482 -0.432 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.820 -2.502 -1.811 1.00 0.00 H new ATOM 1047 N ARG A 68 1.193 -8.757 2.540 1.00 0.00 N ATOM 1048 CA ARG A 68 1.649 -9.694 3.559 1.00 0.00 C ATOM 1049 C ARG A 68 2.737 -9.067 4.427 1.00 0.00 C ATOM 1050 O ARG A 68 3.389 -8.104 4.023 1.00 0.00 O ATOM 1051 CB ARG A 68 2.176 -10.974 2.908 1.00 0.00 C ATOM 1052 CG ARG A 68 1.081 -11.948 2.506 1.00 0.00 C ATOM 1053 CD ARG A 68 1.572 -13.386 2.545 1.00 0.00 C ATOM 1054 NE ARG A 68 0.724 -14.277 1.758 1.00 0.00 N ATOM 1055 CZ ARG A 68 1.067 -15.517 1.427 1.00 0.00 C ATOM 1056 NH1 ARG A 68 2.235 -16.010 1.814 1.00 0.00 N ATOM 1057 NH2 ARG A 68 0.241 -16.266 0.708 1.00 0.00 N ATOM 0 H ARG A 68 1.893 -8.072 2.253 1.00 0.00 H new ATOM 0 HA ARG A 68 0.799 -9.942 4.194 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.758 -10.710 2.025 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.856 -11.470 3.600 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.229 -11.835 3.176 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.731 -11.709 1.502 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.593 -13.430 2.167 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.600 -13.731 3.578 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.182 -13.928 1.445 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.872 -15.437 2.367 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.496 -16.962 1.559 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.659 -15.890 0.409 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.506 -17.218 0.455 1.00 0.00 H new ATOM 1071 N PHE A 69 2.926 -9.619 5.621 1.00 0.00 N ATOM 1072 CA PHE A 69 3.933 -9.113 6.546 1.00 0.00 C ATOM 1073 C PHE A 69 4.500 -10.242 7.402 1.00 0.00 C ATOM 1074 O PHE A 69 3.822 -10.766 8.285 1.00 0.00 O ATOM 1075 CB PHE A 69 3.334 -8.029 7.443 1.00 0.00 C ATOM 1076 CG PHE A 69 4.347 -7.345 8.316 1.00 0.00 C ATOM 1077 CD1 PHE A 69 5.501 -6.807 7.769 1.00 0.00 C ATOM 1078 CD2 PHE A 69 4.145 -7.241 9.683 1.00 0.00 C ATOM 1079 CE1 PHE A 69 6.435 -6.176 8.570 1.00 0.00 C ATOM 1080 CE2 PHE A 69 5.076 -6.611 10.488 1.00 0.00 C ATOM 1081 CZ PHE A 69 6.222 -6.080 9.931 1.00 0.00 C ATOM 0 H PHE A 69 2.395 -10.417 5.971 1.00 0.00 H new ATOM 0 HA PHE A 69 4.745 -8.681 5.960 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.842 -7.283 6.819 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.565 -8.475 8.074 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.673 -6.881 6.705 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.251 -7.656 10.124 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.330 -5.759 8.132 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.907 -6.534 11.552 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.951 -5.590 10.559 1.00 0.00 H new ATOM 1091 N ASP A 70 5.748 -10.610 7.134 1.00 0.00 N ATOM 1092 CA ASP A 70 6.408 -11.675 7.880 1.00 0.00 C ATOM 1093 C ASP A 70 5.769 -13.027 7.576 1.00 0.00 C ATOM 1094 O ASP A 70 5.788 -13.934 8.407 1.00 0.00 O ATOM 1095 CB ASP A 70 6.343 -11.392 9.381 1.00 0.00 C ATOM 1096 CG ASP A 70 7.506 -12.004 10.137 1.00 0.00 C ATOM 1097 OD1 ASP A 70 7.446 -13.215 10.438 1.00 0.00 O ATOM 1098 OD2 ASP A 70 8.476 -11.273 10.428 1.00 0.00 O ATOM 0 H ASP A 70 6.323 -10.186 6.406 1.00 0.00 H new ATOM 0 HA ASP A 70 7.453 -11.709 7.570 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.334 -10.314 9.544 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.407 -11.783 9.781 1.00 0.00 H new ATOM 1103 N GLY A 71 5.202 -13.153 6.380 1.00 0.00 N ATOM 1104 CA GLY A 71 4.564 -14.396 5.989 1.00 0.00 C ATOM 1105 C GLY A 71 3.167 -14.535 6.558 1.00 0.00 C ATOM 1106 O GLY A 71 2.726 -15.640 6.874 1.00 0.00 O ATOM 0 H GLY A 71 5.173 -12.416 5.675 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.517 -14.450 4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.174 -15.235 6.324 1.00 0.00 H new ATOM 1110 N GLN A 72 2.469 -13.412 6.691 1.00 0.00 N ATOM 1111 CA GLN A 72 1.114 -13.413 7.229 1.00 0.00 C ATOM 1112 C GLN A 72 0.238 -12.399 6.502 1.00 0.00 C ATOM 1113 O GLN A 72 0.687 -11.321 6.112 1.00 0.00 O ATOM 1114 CB GLN A 72 1.137 -13.104 8.727 1.00 0.00 C ATOM 1115 CG GLN A 72 1.087 -11.618 9.042 1.00 0.00 C ATOM 1116 CD GLN A 72 1.704 -11.285 10.387 1.00 0.00 C ATOM 1117 OE1 GLN A 72 2.926 -11.253 10.531 1.00 0.00 O ATOM 1118 NE2 GLN A 72 0.859 -11.035 11.380 1.00 0.00 N ATOM 0 H GLN A 72 2.820 -12.489 6.433 1.00 0.00 H new ATOM 0 HA GLN A 72 0.691 -14.406 7.076 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.290 -13.597 9.204 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.041 -13.529 9.164 1.00 0.00 H new ATOM 0 HG2 GLN A 72 1.610 -11.067 8.260 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.050 -11.282 9.029 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.147 -11.073 11.215 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.216 -10.805 12.308 1.00 0.00 H new ATOM 1127 N PRO A 73 -1.043 -12.749 6.313 1.00 0.00 N ATOM 1128 CA PRO A 73 -2.009 -11.883 5.631 1.00 0.00 C ATOM 1129 C PRO A 73 -2.365 -10.651 6.456 1.00 0.00 C ATOM 1130 O PRO A 73 -2.830 -10.766 7.591 1.00 0.00 O ATOM 1131 CB PRO A 73 -3.234 -12.784 5.459 1.00 0.00 C ATOM 1132 CG PRO A 73 -3.119 -13.792 6.550 1.00 0.00 C ATOM 1133 CD PRO A 73 -1.647 -14.019 6.751 1.00 0.00 C ATOM 0 HA PRO A 73 -1.615 -11.493 4.692 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.159 -12.214 5.542 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.240 -13.261 4.479 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.587 -13.431 7.466 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.623 -14.720 6.279 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.413 -14.237 7.793 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.286 -14.861 6.160 1.00 0.00 H new ATOM 1141 N ILE A 74 -2.146 -9.474 5.879 1.00 0.00 N ATOM 1142 CA ILE A 74 -2.446 -8.222 6.561 1.00 0.00 C ATOM 1143 C ILE A 74 -3.701 -7.572 5.990 1.00 0.00 C ATOM 1144 O ILE A 74 -4.039 -7.770 4.824 1.00 0.00 O ATOM 1145 CB ILE A 74 -1.274 -7.228 6.456 1.00 0.00 C ATOM 1146 CG1 ILE A 74 -0.552 -7.398 5.118 1.00 0.00 C ATOM 1147 CG2 ILE A 74 -0.307 -7.425 7.614 1.00 0.00 C ATOM 1148 CD1 ILE A 74 0.470 -6.317 4.842 1.00 0.00 C ATOM 0 H ILE A 74 -1.762 -9.362 4.941 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.611 -8.467 7.610 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.671 -6.214 6.508 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.056 -8.368 5.103 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.289 -7.404 4.315 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.516 -6.715 7.526 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.829 -7.260 8.556 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.086 -8.441 7.591 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.943 -6.501 3.877 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.024 -5.345 4.825 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.228 -6.325 5.625 1.00 0.00 H new ATOM 1160 N ASN A 75 -4.388 -6.793 6.819 1.00 0.00 N ATOM 1161 CA ASN A 75 -5.606 -6.111 6.396 1.00 0.00 C ATOM 1162 C ASN A 75 -5.477 -4.602 6.580 1.00 0.00 C ATOM 1163 O ASN A 75 -4.624 -4.129 7.330 1.00 0.00 O ATOM 1164 CB ASN A 75 -6.808 -6.632 7.188 1.00 0.00 C ATOM 1165 CG ASN A 75 -6.939 -8.141 7.114 1.00 0.00 C ATOM 1166 OD1 ASN A 75 -7.028 -8.818 8.138 1.00 0.00 O ATOM 1167 ND2 ASN A 75 -6.951 -8.675 5.898 1.00 0.00 N ATOM 0 H ASN A 75 -4.122 -6.618 7.788 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.759 -6.318 5.337 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.712 -6.329 8.231 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.719 -6.172 6.805 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.037 -9.685 5.785 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.875 -8.075 5.077 1.00 0.00 H new ATOM 1174 N GLU A 76 -6.330 -3.852 5.889 1.00 0.00 N ATOM 1175 CA GLU A 76 -6.311 -2.397 5.976 1.00 0.00 C ATOM 1176 C GLU A 76 -6.670 -1.932 7.385 1.00 0.00 C ATOM 1177 O GLU A 76 -6.224 -0.876 7.835 1.00 0.00 O ATOM 1178 CB GLU A 76 -7.285 -1.790 4.964 1.00 0.00 C ATOM 1179 CG GLU A 76 -8.668 -2.419 4.997 1.00 0.00 C ATOM 1180 CD GLU A 76 -9.696 -1.607 4.233 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -9.352 -1.073 3.158 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -10.845 -1.507 4.711 1.00 0.00 O ATOM 0 H GLU A 76 -7.042 -4.228 5.263 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.301 -2.058 5.745 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.377 -0.721 5.157 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.869 -1.899 3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.617 -3.423 4.575 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.991 -2.525 6.033 1.00 0.00 H new ATOM 1189 N THR A 77 -7.479 -2.727 8.076 1.00 0.00 N ATOM 1190 CA THR A 77 -7.900 -2.397 9.432 1.00 0.00 C ATOM 1191 C THR A 77 -6.732 -2.489 10.408 1.00 0.00 C ATOM 1192 O THR A 77 -6.548 -1.614 11.254 1.00 0.00 O ATOM 1193 CB THR A 77 -9.029 -3.329 9.913 1.00 0.00 C ATOM 1194 OG1 THR A 77 -8.609 -4.695 9.823 1.00 0.00 O ATOM 1195 CG2 THR A 77 -10.288 -3.125 9.084 1.00 0.00 C ATOM 0 H THR A 77 -7.856 -3.605 7.719 1.00 0.00 H new ATOM 0 HA THR A 77 -8.270 -1.372 9.407 1.00 0.00 H new ATOM 0 HB THR A 77 -9.253 -3.086 10.952 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.332 -5.280 10.132 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.071 -3.793 9.442 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.622 -2.092 9.178 1.00 0.00 H new ATOM 0 HG23 THR A 77 -10.074 -3.344 8.038 1.00 0.00 H new ATOM 1203 N ASP A 78 -5.945 -3.552 10.283 1.00 0.00 N ATOM 1204 CA ASP A 78 -4.793 -3.756 11.153 1.00 0.00 C ATOM 1205 C ASP A 78 -3.843 -2.565 11.086 1.00 0.00 C ATOM 1206 O ASP A 78 -3.697 -1.930 10.040 1.00 0.00 O ATOM 1207 CB ASP A 78 -4.053 -5.037 10.764 1.00 0.00 C ATOM 1208 CG ASP A 78 -4.687 -6.277 11.362 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -5.918 -6.440 11.224 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -3.953 -7.084 11.969 1.00 0.00 O ATOM 0 H ASP A 78 -6.084 -4.285 9.588 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.155 -3.852 12.177 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.037 -5.128 9.678 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.016 -4.968 11.093 1.00 0.00 H new ATOM 1215 N THR A 79 -3.197 -2.264 12.209 1.00 0.00 N ATOM 1216 CA THR A 79 -2.263 -1.148 12.278 1.00 0.00 C ATOM 1217 C THR A 79 -0.820 -1.639 12.293 1.00 0.00 C ATOM 1218 O THR A 79 -0.531 -2.781 12.651 1.00 0.00 O ATOM 1219 CB THR A 79 -2.512 -0.283 13.528 1.00 0.00 C ATOM 1220 OG1 THR A 79 -3.041 -1.092 14.585 1.00 0.00 O ATOM 1221 CG2 THR A 79 -3.478 0.851 13.219 1.00 0.00 C ATOM 0 H THR A 79 -3.304 -2.778 13.083 1.00 0.00 H new ATOM 0 HA THR A 79 -2.429 -0.542 11.387 1.00 0.00 H new ATOM 0 HB THR A 79 -1.560 0.147 13.840 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.195 -0.536 15.377 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.638 1.448 14.117 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.060 1.481 12.434 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.429 0.438 12.884 1.00 0.00 H new ATOM 1229 N PRO A 80 0.110 -0.757 11.896 1.00 0.00 N ATOM 1230 CA PRO A 80 1.540 -1.079 11.856 1.00 0.00 C ATOM 1231 C PRO A 80 2.139 -1.231 13.250 1.00 0.00 C ATOM 1232 O PRO A 80 3.270 -1.691 13.403 1.00 0.00 O ATOM 1233 CB PRO A 80 2.154 0.126 11.139 1.00 0.00 C ATOM 1234 CG PRO A 80 1.204 1.245 11.395 1.00 0.00 C ATOM 1235 CD PRO A 80 -0.163 0.621 11.456 1.00 0.00 C ATOM 0 HA PRO A 80 1.730 -2.031 11.360 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.147 0.353 11.527 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.264 -0.063 10.071 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.443 1.754 12.329 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.257 1.991 10.603 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.813 1.145 12.157 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.658 0.642 10.485 1.00 0.00 H new ATOM 1243 N ALA A 81 1.372 -0.843 14.264 1.00 0.00 N ATOM 1244 CA ALA A 81 1.827 -0.939 15.645 1.00 0.00 C ATOM 1245 C ALA A 81 1.437 -2.279 16.260 1.00 0.00 C ATOM 1246 O ALA A 81 2.079 -2.752 17.197 1.00 0.00 O ATOM 1247 CB ALA A 81 1.258 0.207 16.469 1.00 0.00 C ATOM 0 H ALA A 81 0.433 -0.459 14.155 1.00 0.00 H new ATOM 0 HA ALA A 81 2.915 -0.870 15.648 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.606 0.123 17.499 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.591 1.157 16.050 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.169 0.164 16.449 1.00 0.00 H new ATOM 1253 N GLN A 82 0.382 -2.885 15.725 1.00 0.00 N ATOM 1254 CA GLN A 82 -0.094 -4.170 16.223 1.00 0.00 C ATOM 1255 C GLN A 82 0.870 -5.290 15.846 1.00 0.00 C ATOM 1256 O GLN A 82 1.056 -6.245 16.602 1.00 0.00 O ATOM 1257 CB GLN A 82 -1.487 -4.472 15.668 1.00 0.00 C ATOM 1258 CG GLN A 82 -2.215 -5.576 16.419 1.00 0.00 C ATOM 1259 CD GLN A 82 -2.621 -5.159 17.819 1.00 0.00 C ATOM 1260 OE1 GLN A 82 -3.772 -4.794 18.061 1.00 0.00 O ATOM 1261 NE2 GLN A 82 -1.676 -5.212 18.750 1.00 0.00 N ATOM 0 H GLN A 82 -0.159 -2.507 14.947 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.149 -4.112 17.310 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.088 -3.563 15.703 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.398 -4.755 14.619 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -3.103 -5.867 15.858 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.573 -6.455 16.477 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -0.735 -5.521 18.505 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -1.891 -4.944 19.710 1.00 0.00 H new ATOM 1270 N LEU A 83 1.480 -5.168 14.672 1.00 0.00 N ATOM 1271 CA LEU A 83 2.426 -6.171 14.193 1.00 0.00 C ATOM 1272 C LEU A 83 3.855 -5.797 14.572 1.00 0.00 C ATOM 1273 O LEU A 83 4.810 -6.443 14.143 1.00 0.00 O ATOM 1274 CB LEU A 83 2.312 -6.325 12.676 1.00 0.00 C ATOM 1275 CG LEU A 83 0.894 -6.467 12.120 1.00 0.00 C ATOM 1276 CD1 LEU A 83 0.837 -5.993 10.677 1.00 0.00 C ATOM 1277 CD2 LEU A 83 0.421 -7.910 12.229 1.00 0.00 C ATOM 0 H LEU A 83 1.337 -4.385 14.034 1.00 0.00 H new ATOM 0 HA LEU A 83 2.181 -7.121 14.668 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.780 -5.459 12.207 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.888 -7.200 12.375 1.00 0.00 H new ATOM 0 HG LEU A 83 0.227 -5.841 12.713 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.179 -6.101 10.298 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.133 -4.945 10.626 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.516 -6.592 10.070 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.590 -7.993 11.829 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.090 -8.556 11.661 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.423 -8.216 13.275 1.00 0.00 H new ATOM 1289 N GLU A 84 3.993 -4.750 15.380 1.00 0.00 N ATOM 1290 CA GLU A 84 5.306 -4.291 15.818 1.00 0.00 C ATOM 1291 C GLU A 84 6.170 -3.897 14.624 1.00 0.00 C ATOM 1292 O GLU A 84 7.352 -4.233 14.561 1.00 0.00 O ATOM 1293 CB GLU A 84 6.007 -5.382 16.630 1.00 0.00 C ATOM 1294 CG GLU A 84 5.601 -5.406 18.094 1.00 0.00 C ATOM 1295 CD GLU A 84 6.244 -6.547 18.859 1.00 0.00 C ATOM 1296 OE1 GLU A 84 6.069 -7.712 18.443 1.00 0.00 O ATOM 1297 OE2 GLU A 84 6.921 -6.276 19.872 1.00 0.00 O ATOM 0 H GLU A 84 3.212 -4.204 15.744 1.00 0.00 H new ATOM 0 HA GLU A 84 5.164 -3.413 16.448 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.787 -6.352 16.185 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.085 -5.237 16.563 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.878 -4.460 18.559 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.517 -5.491 18.165 1.00 0.00 H new ATOM 1304 N MET A 85 5.570 -3.182 13.677 1.00 0.00 N ATOM 1305 CA MET A 85 6.284 -2.741 12.485 1.00 0.00 C ATOM 1306 C MET A 85 7.343 -1.701 12.839 1.00 0.00 C ATOM 1307 O MET A 85 7.021 -0.552 13.139 1.00 0.00 O ATOM 1308 CB MET A 85 5.305 -2.160 11.463 1.00 0.00 C ATOM 1309 CG MET A 85 4.230 -3.142 11.026 1.00 0.00 C ATOM 1310 SD MET A 85 3.452 -2.672 9.469 1.00 0.00 S ATOM 1311 CE MET A 85 3.869 -4.080 8.443 1.00 0.00 C ATOM 0 H MET A 85 4.592 -2.896 13.713 1.00 0.00 H new ATOM 0 HA MET A 85 6.781 -3.607 12.049 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.828 -1.278 11.890 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.862 -1.829 10.586 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.670 -4.134 10.923 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.468 -3.210 11.802 1.00 0.00 H new ATOM 0 HE1 MET A 85 3.411 -3.963 7.461 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.952 -4.143 8.334 1.00 0.00 H new ATOM 0 HE3 MET A 85 3.498 -4.993 8.909 1.00 0.00 H new ATOM 1321 N GLU A 86 8.606 -2.114 12.802 1.00 0.00 N ATOM 1322 CA GLU A 86 9.712 -1.217 13.121 1.00 0.00 C ATOM 1323 C GLU A 86 10.215 -0.508 11.867 1.00 0.00 C ATOM 1324 O GLU A 86 9.896 -0.904 10.746 1.00 0.00 O ATOM 1325 CB GLU A 86 10.856 -1.994 13.775 1.00 0.00 C ATOM 1326 CG GLU A 86 11.423 -3.097 12.897 1.00 0.00 C ATOM 1327 CD GLU A 86 12.295 -4.067 13.669 1.00 0.00 C ATOM 1328 OE1 GLU A 86 13.472 -3.736 13.922 1.00 0.00 O ATOM 1329 OE2 GLU A 86 11.800 -5.159 14.021 1.00 0.00 O ATOM 0 H GLU A 86 8.889 -3.062 12.555 1.00 0.00 H new ATOM 0 HA GLU A 86 9.347 -0.466 13.821 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.655 -1.299 14.032 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.500 -2.431 14.708 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.603 -3.643 12.431 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.007 -2.651 12.092 1.00 0.00 H new ATOM 1336 N ASP A 87 11.003 0.543 12.066 1.00 0.00 N ATOM 1337 CA ASP A 87 11.552 1.308 10.952 1.00 0.00 C ATOM 1338 C ASP A 87 12.396 0.419 10.045 1.00 0.00 C ATOM 1339 O ASP A 87 13.022 -0.536 10.505 1.00 0.00 O ATOM 1340 CB ASP A 87 12.395 2.473 11.473 1.00 0.00 C ATOM 1341 CG ASP A 87 13.333 2.056 12.589 1.00 0.00 C ATOM 1342 OD1 ASP A 87 12.836 1.653 13.661 1.00 0.00 O ATOM 1343 OD2 ASP A 87 14.564 2.133 12.390 1.00 0.00 O ATOM 0 H ASP A 87 11.276 0.885 12.988 1.00 0.00 H new ATOM 0 HA ASP A 87 10.720 1.703 10.370 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.976 2.893 10.652 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.735 3.263 11.833 1.00 0.00 H new ATOM 1348 N GLU A 88 12.408 0.739 8.755 1.00 0.00 N ATOM 1349 CA GLU A 88 13.174 -0.033 7.784 1.00 0.00 C ATOM 1350 C GLU A 88 12.619 -1.449 7.655 1.00 0.00 C ATOM 1351 O GLU A 88 13.372 -2.410 7.495 1.00 0.00 O ATOM 1352 CB GLU A 88 14.648 -0.086 8.190 1.00 0.00 C ATOM 1353 CG GLU A 88 15.197 1.248 8.665 1.00 0.00 C ATOM 1354 CD GLU A 88 15.674 2.123 7.522 1.00 0.00 C ATOM 1355 OE1 GLU A 88 16.553 1.672 6.758 1.00 0.00 O ATOM 1356 OE2 GLU A 88 15.170 3.258 7.393 1.00 0.00 O ATOM 0 H GLU A 88 11.896 1.527 8.358 1.00 0.00 H new ATOM 0 HA GLU A 88 13.089 0.462 6.816 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.771 -0.823 8.983 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.238 -0.430 7.341 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.425 1.776 9.224 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.024 1.072 9.353 1.00 0.00 H new ATOM 1363 N ASP A 89 11.298 -1.569 7.727 1.00 0.00 N ATOM 1364 CA ASP A 89 10.642 -2.867 7.618 1.00 0.00 C ATOM 1365 C ASP A 89 10.511 -3.289 6.158 1.00 0.00 C ATOM 1366 O ASP A 89 10.992 -2.603 5.256 1.00 0.00 O ATOM 1367 CB ASP A 89 9.261 -2.820 8.274 1.00 0.00 C ATOM 1368 CG ASP A 89 9.305 -3.191 9.744 1.00 0.00 C ATOM 1369 OD1 ASP A 89 10.374 -3.637 10.211 1.00 0.00 O ATOM 1370 OD2 ASP A 89 8.271 -3.037 10.426 1.00 0.00 O ATOM 0 H ASP A 89 10.661 -0.784 7.860 1.00 0.00 H new ATOM 0 HA ASP A 89 11.257 -3.603 8.136 1.00 0.00 H new ATOM 0 HB2 ASP A 89 8.845 -1.818 8.167 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.590 -3.501 7.750 1.00 0.00 H new ATOM 1375 N THR A 90 9.856 -4.423 5.932 1.00 0.00 N ATOM 1376 CA THR A 90 9.663 -4.938 4.582 1.00 0.00 C ATOM 1377 C THR A 90 8.307 -5.620 4.442 1.00 0.00 C ATOM 1378 O THR A 90 8.012 -6.587 5.144 1.00 0.00 O ATOM 1379 CB THR A 90 10.770 -5.940 4.200 1.00 0.00 C ATOM 1380 OG1 THR A 90 12.054 -5.318 4.316 1.00 0.00 O ATOM 1381 CG2 THR A 90 10.573 -6.447 2.779 1.00 0.00 C ATOM 0 H THR A 90 9.450 -5.003 6.667 1.00 0.00 H new ATOM 0 HA THR A 90 9.708 -4.083 3.908 1.00 0.00 H new ATOM 0 HB THR A 90 10.714 -6.788 4.883 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.752 -5.961 4.073 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.366 -7.153 2.531 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.607 -6.945 2.701 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.605 -5.607 2.085 1.00 0.00 H new ATOM 1389 N ILE A 91 7.485 -5.110 3.531 1.00 0.00 N ATOM 1390 CA ILE A 91 6.160 -5.671 3.298 1.00 0.00 C ATOM 1391 C ILE A 91 6.156 -6.582 2.075 1.00 0.00 C ATOM 1392 O ILE A 91 6.899 -6.359 1.119 1.00 0.00 O ATOM 1393 CB ILE A 91 5.106 -4.565 3.103 1.00 0.00 C ATOM 1394 CG1 ILE A 91 5.259 -3.489 4.180 1.00 0.00 C ATOM 1395 CG2 ILE A 91 3.705 -5.157 3.134 1.00 0.00 C ATOM 1396 CD1 ILE A 91 4.017 -2.649 4.376 1.00 0.00 C ATOM 0 H ILE A 91 7.713 -4.309 2.942 1.00 0.00 H new ATOM 0 HA ILE A 91 5.904 -6.253 4.183 1.00 0.00 H new ATOM 0 HB ILE A 91 5.262 -4.102 2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.518 -3.967 5.125 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.091 -2.837 3.915 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.971 -4.363 2.995 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.602 -5.890 2.334 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.536 -5.642 4.095 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.198 -1.908 5.154 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.769 -2.143 3.443 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.187 -3.290 4.672 1.00 0.00 H new ATOM 1408 N ASP A 92 5.314 -7.609 2.112 1.00 0.00 N ATOM 1409 CA ASP A 92 5.211 -8.553 1.006 1.00 0.00 C ATOM 1410 C ASP A 92 3.930 -8.320 0.210 1.00 0.00 C ATOM 1411 O ASP A 92 2.827 -8.400 0.752 1.00 0.00 O ATOM 1412 CB ASP A 92 5.247 -9.990 1.529 1.00 0.00 C ATOM 1413 CG ASP A 92 6.647 -10.437 1.898 1.00 0.00 C ATOM 1414 OD1 ASP A 92 7.257 -9.805 2.786 1.00 0.00 O ATOM 1415 OD2 ASP A 92 7.134 -11.419 1.300 1.00 0.00 O ATOM 0 H ASP A 92 4.693 -7.809 2.896 1.00 0.00 H new ATOM 0 HA ASP A 92 6.063 -8.394 0.344 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.601 -10.072 2.403 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.843 -10.660 0.770 1.00 0.00 H new ATOM 1420 N VAL A 93 4.084 -8.030 -1.078 1.00 0.00 N ATOM 1421 CA VAL A 93 2.940 -7.786 -1.948 1.00 0.00 C ATOM 1422 C VAL A 93 3.173 -8.366 -3.338 1.00 0.00 C ATOM 1423 O VAL A 93 4.314 -8.532 -3.770 1.00 0.00 O ATOM 1424 CB VAL A 93 2.644 -6.279 -2.075 1.00 0.00 C ATOM 1425 CG1 VAL A 93 1.781 -6.006 -3.298 1.00 0.00 C ATOM 1426 CG2 VAL A 93 1.973 -5.760 -0.813 1.00 0.00 C ATOM 0 H VAL A 93 4.990 -7.958 -1.542 1.00 0.00 H new ATOM 0 HA VAL A 93 2.083 -8.280 -1.491 1.00 0.00 H new ATOM 0 HB VAL A 93 3.589 -5.750 -2.201 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.582 -4.937 -3.372 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.304 -6.340 -4.194 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.838 -6.545 -3.206 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.771 -4.694 -0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.035 -6.293 -0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.631 -5.921 0.041 1.00 0.00 H new ATOM 1436 N PHE A 94 2.085 -8.672 -4.036 1.00 0.00 N ATOM 1437 CA PHE A 94 2.170 -9.235 -5.379 1.00 0.00 C ATOM 1438 C PHE A 94 1.105 -8.632 -6.290 1.00 0.00 C ATOM 1439 O PHE A 94 -0.085 -8.907 -6.137 1.00 0.00 O ATOM 1440 CB PHE A 94 2.012 -10.756 -5.328 1.00 0.00 C ATOM 1441 CG PHE A 94 2.690 -11.390 -4.147 1.00 0.00 C ATOM 1442 CD1 PHE A 94 2.115 -11.333 -2.888 1.00 0.00 C ATOM 1443 CD2 PHE A 94 3.903 -12.043 -4.296 1.00 0.00 C ATOM 1444 CE1 PHE A 94 2.737 -11.915 -1.800 1.00 0.00 C ATOM 1445 CE2 PHE A 94 4.530 -12.627 -3.212 1.00 0.00 C ATOM 1446 CZ PHE A 94 3.945 -12.564 -1.962 1.00 0.00 C ATOM 0 H PHE A 94 1.133 -8.540 -3.694 1.00 0.00 H new ATOM 0 HA PHE A 94 3.151 -8.992 -5.786 1.00 0.00 H new ATOM 0 HB2 PHE A 94 0.950 -11.002 -5.303 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.417 -11.186 -6.244 1.00 0.00 H new ATOM 0 HD1 PHE A 94 1.170 -10.828 -2.755 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.364 -12.096 -5.271 1.00 0.00 H new ATOM 0 HE1 PHE A 94 2.279 -11.862 -0.824 1.00 0.00 H new ATOM 0 HE2 PHE A 94 5.476 -13.132 -3.342 1.00 0.00 H new ATOM 0 HZ PHE A 94 4.432 -13.021 -1.113 1.00 0.00 H new ATOM 1456 N GLN A 95 1.542 -7.808 -7.237 1.00 0.00 N ATOM 1457 CA GLN A 95 0.626 -7.165 -8.172 1.00 0.00 C ATOM 1458 C GLN A 95 0.974 -7.530 -9.612 1.00 0.00 C ATOM 1459 O GLN A 95 2.146 -7.645 -9.966 1.00 0.00 O ATOM 1460 CB GLN A 95 0.665 -5.647 -7.994 1.00 0.00 C ATOM 1461 CG GLN A 95 1.899 -4.995 -8.598 1.00 0.00 C ATOM 1462 CD GLN A 95 3.105 -5.070 -7.683 1.00 0.00 C ATOM 1463 OE1 GLN A 95 3.525 -6.154 -7.278 1.00 0.00 O ATOM 1464 NE2 GLN A 95 3.671 -3.915 -7.352 1.00 0.00 N ATOM 0 H GLN A 95 2.524 -7.570 -7.377 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.382 -7.522 -7.959 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.225 -5.213 -8.450 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.625 -5.413 -6.930 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.135 -5.481 -9.545 1.00 0.00 H new ATOM 0 HG3 GLN A 95 1.681 -3.951 -8.821 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.290 -3.039 -7.710 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.486 -3.904 -6.739 1.00 0.00 H new