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 54 TYR OH : rot 180:sc= 0.242 USER MOD Set 1.2: A 95 GLN : amide:sc= 0.531 K(o=0.77,f=-0.65!) USER MOD Single : A 24 HIS : no HE2:sc= -5.13! C(o=-5.1!,f=-6.4!) USER MOD Single : A 26 ASN : amide:sc= -0.276 K(o=-0.28,f=-3.7!) USER MOD Single : A 28 LYS NZ :NH3+ -171:sc= 0.0774 (180deg=0.0621) USER MOD Single : A 38 GLN : amide:sc= -0.0552 K(o=-0.055,f=-1.3!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -1.67! C(o=-1.7!,f=-8.5!) USER MOD Single : A 45 THR OG1 : rot -22:sc= -1.77 USER MOD Single : A 48 SER OG : rot 180:sc= -0.683 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -127:sc= -0.142 (180deg=-1.25) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 CYS SG : rot 134:sc= -2.06! USER MOD Single : A 58 GLN : amide:sc= -0.255 X(o=-0.25,f=-0.1) USER MOD Single : A 61 SER OG : rot 180:sc= 0.00376 USER MOD Single : A 62 MET CE :methyl -102:sc=-0.00212 (180deg=-1.52!) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 72 GLN : amide:sc= -0.583 K(o=-0.58,f=-3.5!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0492 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.19) USER MOD Single : A 85 MET CE :methyl 173:sc= -3.61! (180deg=-4.05!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 307 N HIS A 24 7.575 7.871 12.779 1.00 0.00 N ATOM 308 CA HIS A 24 7.006 7.111 11.673 1.00 0.00 C ATOM 309 C HIS A 24 7.915 5.947 11.288 1.00 0.00 C ATOM 310 O HIS A 24 9.082 5.905 11.678 1.00 0.00 O ATOM 311 CB HIS A 24 6.781 8.019 10.464 1.00 0.00 C ATOM 312 CG HIS A 24 5.626 8.959 10.627 1.00 0.00 C ATOM 313 ND1 HIS A 24 5.464 9.767 11.732 1.00 0.00 N ATOM 314 CD2 HIS A 24 4.574 9.218 9.816 1.00 0.00 C ATOM 315 CE1 HIS A 24 4.361 10.481 11.595 1.00 0.00 C ATOM 316 NE2 HIS A 24 3.803 10.167 10.440 1.00 0.00 N ATOM 0 HA HIS A 24 6.047 6.708 11.998 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.687 8.598 10.281 1.00 0.00 H new ATOM 0 HB3 HIS A 24 6.614 7.401 9.582 1.00 0.00 H new ATOM 0 HD1 HIS A 24 6.097 9.807 12.531 1.00 0.00 H new ATOM 0 HD2 HIS A 24 4.378 8.763 8.857 1.00 0.00 H new ATOM 0 HE1 HIS A 24 3.980 11.199 12.306 1.00 0.00 H new ATOM 325 N ILE A 25 7.372 5.007 10.523 1.00 0.00 N ATOM 326 CA ILE A 25 8.135 3.844 10.086 1.00 0.00 C ATOM 327 C ILE A 25 8.003 3.634 8.581 1.00 0.00 C ATOM 328 O ILE A 25 6.904 3.685 8.031 1.00 0.00 O ATOM 329 CB ILE A 25 7.678 2.565 10.813 1.00 0.00 C ATOM 330 CG1 ILE A 25 6.201 2.288 10.524 1.00 0.00 C ATOM 331 CG2 ILE A 25 7.916 2.694 12.310 1.00 0.00 C ATOM 332 CD1 ILE A 25 5.674 1.049 11.213 1.00 0.00 C ATOM 0 H ILE A 25 6.407 5.027 10.193 1.00 0.00 H new ATOM 0 HA ILE A 25 9.178 4.040 10.333 1.00 0.00 H new ATOM 0 HB ILE A 25 8.265 1.724 10.443 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.610 3.148 10.838 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.063 2.182 9.448 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.588 1.783 12.810 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.979 2.849 12.497 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.352 3.543 12.696 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.622 0.914 10.964 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.240 0.179 10.880 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.780 1.160 12.292 1.00 0.00 H new ATOM 344 N ASN A 26 9.132 3.396 7.922 1.00 0.00 N ATOM 345 CA ASN A 26 9.143 3.177 6.480 1.00 0.00 C ATOM 346 C ASN A 26 9.143 1.686 6.156 1.00 0.00 C ATOM 347 O ASN A 26 9.934 0.919 6.708 1.00 0.00 O ATOM 348 CB ASN A 26 10.367 3.846 5.851 1.00 0.00 C ATOM 349 CG ASN A 26 10.369 5.349 6.048 1.00 0.00 C ATOM 350 OD1 ASN A 26 9.962 6.103 5.163 1.00 0.00 O ATOM 351 ND2 ASN A 26 10.829 5.793 7.212 1.00 0.00 N ATOM 0 H ASN A 26 10.051 3.350 8.363 1.00 0.00 H new ATOM 0 HA ASN A 26 8.239 3.622 6.063 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.273 3.424 6.287 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.392 3.622 4.785 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.855 6.795 7.401 1.00 0.00 H new ATOM 0 HD22 ASN A 26 11.156 5.132 7.917 1.00 0.00 H new ATOM 358 N LEU A 27 8.251 1.281 5.259 1.00 0.00 N ATOM 359 CA LEU A 27 8.147 -0.119 4.861 1.00 0.00 C ATOM 360 C LEU A 27 8.411 -0.281 3.367 1.00 0.00 C ATOM 361 O LEU A 27 7.816 0.413 2.542 1.00 0.00 O ATOM 362 CB LEU A 27 6.762 -0.667 5.208 1.00 0.00 C ATOM 363 CG LEU A 27 6.184 -0.227 6.554 1.00 0.00 C ATOM 364 CD1 LEU A 27 4.708 -0.580 6.642 1.00 0.00 C ATOM 365 CD2 LEU A 27 6.956 -0.866 7.700 1.00 0.00 C ATOM 0 H LEU A 27 7.589 1.902 4.793 1.00 0.00 H new ATOM 0 HA LEU A 27 8.902 -0.684 5.408 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.068 -0.369 4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.810 -1.756 5.194 1.00 0.00 H new ATOM 0 HG LEU A 27 6.283 0.856 6.634 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.314 -0.259 7.606 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.165 -0.076 5.843 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.585 -1.658 6.540 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.531 -0.542 8.650 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.889 -1.951 7.624 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.002 -0.563 7.648 1.00 0.00 H new ATOM 377 N LYS A 28 9.305 -1.202 3.026 1.00 0.00 N ATOM 378 CA LYS A 28 9.646 -1.460 1.632 1.00 0.00 C ATOM 379 C LYS A 28 8.754 -2.549 1.046 1.00 0.00 C ATOM 380 O LYS A 28 8.837 -3.712 1.440 1.00 0.00 O ATOM 381 CB LYS A 28 11.115 -1.869 1.512 1.00 0.00 C ATOM 382 CG LYS A 28 12.087 -0.726 1.749 1.00 0.00 C ATOM 383 CD LYS A 28 13.461 -1.236 2.149 1.00 0.00 C ATOM 384 CE LYS A 28 13.563 -1.444 3.652 1.00 0.00 C ATOM 385 NZ LYS A 28 14.663 -2.382 4.009 1.00 0.00 N ATOM 0 H LYS A 28 9.807 -1.783 3.697 1.00 0.00 H new ATOM 0 HA LYS A 28 9.484 -0.541 1.069 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.321 -2.664 2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.288 -2.282 0.518 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.171 -0.125 0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.699 -0.073 2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.665 -2.176 1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.222 -0.525 1.827 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.731 -0.484 4.141 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.617 -1.833 4.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.605 -2.617 5.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.574 -3.252 3.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.580 -1.934 3.810 1.00 0.00 H new ATOM 399 N VAL A 29 7.901 -2.165 0.101 1.00 0.00 N ATOM 400 CA VAL A 29 6.996 -3.110 -0.542 1.00 0.00 C ATOM 401 C VAL A 29 7.599 -3.661 -1.829 1.00 0.00 C ATOM 402 O VAL A 29 7.803 -2.927 -2.795 1.00 0.00 O ATOM 403 CB VAL A 29 5.638 -2.457 -0.863 1.00 0.00 C ATOM 404 CG1 VAL A 29 4.660 -3.492 -1.397 1.00 0.00 C ATOM 405 CG2 VAL A 29 5.075 -1.766 0.370 1.00 0.00 C ATOM 0 H VAL A 29 7.818 -1.206 -0.236 1.00 0.00 H new ATOM 0 HA VAL A 29 6.841 -3.928 0.162 1.00 0.00 H new ATOM 0 HB VAL A 29 5.790 -1.704 -1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.707 -3.012 -1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.062 -3.937 -2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.509 -4.270 -0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.116 -1.310 0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.937 -2.498 1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.769 -0.994 0.703 1.00 0.00 H new ATOM 415 N ALA A 30 7.883 -4.960 -1.834 1.00 0.00 N ATOM 416 CA ALA A 30 8.461 -5.610 -3.004 1.00 0.00 C ATOM 417 C ALA A 30 7.377 -6.238 -3.874 1.00 0.00 C ATOM 418 O ALA A 30 6.577 -7.043 -3.402 1.00 0.00 O ATOM 419 CB ALA A 30 9.472 -6.663 -2.576 1.00 0.00 C ATOM 0 H ALA A 30 7.722 -5.582 -1.042 1.00 0.00 H new ATOM 0 HA ALA A 30 8.972 -4.851 -3.596 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.896 -7.141 -3.459 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.269 -6.190 -2.002 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.977 -7.414 -1.960 1.00 0.00 H new ATOM 479 N VAL A 36 11.004 -0.912 -6.098 1.00 0.00 N ATOM 480 CA VAL A 36 10.550 -1.006 -4.716 1.00 0.00 C ATOM 481 C VAL A 36 9.787 0.248 -4.302 1.00 0.00 C ATOM 482 O VAL A 36 10.220 1.368 -4.571 1.00 0.00 O ATOM 483 CB VAL A 36 11.730 -1.218 -3.750 1.00 0.00 C ATOM 484 CG1 VAL A 36 11.246 -1.218 -2.308 1.00 0.00 C ATOM 485 CG2 VAL A 36 12.460 -2.512 -4.077 1.00 0.00 C ATOM 0 HA VAL A 36 9.885 -1.868 -4.659 1.00 0.00 H new ATOM 0 HB VAL A 36 12.431 -0.392 -3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.094 -1.369 -1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.772 -0.262 -2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.524 -2.023 -2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.291 -2.646 -3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.771 -3.352 -3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.841 -2.467 -5.097 1.00 0.00 H new ATOM 495 N VAL A 37 8.647 0.051 -3.646 1.00 0.00 N ATOM 496 CA VAL A 37 7.824 1.166 -3.193 1.00 0.00 C ATOM 497 C VAL A 37 7.843 1.280 -1.673 1.00 0.00 C ATOM 498 O VAL A 37 7.481 0.340 -0.966 1.00 0.00 O ATOM 499 CB VAL A 37 6.366 1.016 -3.668 1.00 0.00 C ATOM 500 CG1 VAL A 37 5.578 2.284 -3.379 1.00 0.00 C ATOM 501 CG2 VAL A 37 6.322 0.677 -5.150 1.00 0.00 C ATOM 0 H VAL A 37 8.273 -0.870 -3.417 1.00 0.00 H new ATOM 0 HA VAL A 37 8.249 2.071 -3.628 1.00 0.00 H new ATOM 0 HB VAL A 37 5.904 0.197 -3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.551 2.160 -3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.582 2.479 -2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.036 3.124 -3.902 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.285 0.575 -5.469 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.800 1.474 -5.720 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.850 -0.261 -5.325 1.00 0.00 H new ATOM 511 N GLN A 38 8.266 2.439 -1.178 1.00 0.00 N ATOM 512 CA GLN A 38 8.331 2.676 0.259 1.00 0.00 C ATOM 513 C GLN A 38 7.113 3.459 0.738 1.00 0.00 C ATOM 514 O GLN A 38 6.410 4.080 -0.058 1.00 0.00 O ATOM 515 CB GLN A 38 9.611 3.434 0.615 1.00 0.00 C ATOM 516 CG GLN A 38 10.867 2.581 0.530 1.00 0.00 C ATOM 517 CD GLN A 38 12.104 3.394 0.202 1.00 0.00 C ATOM 518 OE1 GLN A 38 12.071 4.625 0.206 1.00 0.00 O ATOM 519 NE2 GLN A 38 13.204 2.709 -0.086 1.00 0.00 N ATOM 0 H GLN A 38 8.568 3.227 -1.750 1.00 0.00 H new ATOM 0 HA GLN A 38 8.338 1.708 0.761 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.716 4.288 -0.054 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.519 3.831 1.626 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.017 2.066 1.479 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.729 1.813 -0.231 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.187 1.689 -0.077 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.067 3.202 -0.316 1.00 0.00 H new ATOM 528 N PHE A 39 6.869 3.424 2.044 1.00 0.00 N ATOM 529 CA PHE A 39 5.735 4.130 2.629 1.00 0.00 C ATOM 530 C PHE A 39 6.030 4.532 4.071 1.00 0.00 C ATOM 531 O PHE A 39 6.368 3.692 4.906 1.00 0.00 O ATOM 532 CB PHE A 39 4.481 3.254 2.578 1.00 0.00 C ATOM 533 CG PHE A 39 4.074 2.871 1.184 1.00 0.00 C ATOM 534 CD1 PHE A 39 4.640 1.770 0.561 1.00 0.00 C ATOM 535 CD2 PHE A 39 3.125 3.611 0.497 1.00 0.00 C ATOM 536 CE1 PHE A 39 4.267 1.416 -0.722 1.00 0.00 C ATOM 537 CE2 PHE A 39 2.748 3.261 -0.786 1.00 0.00 C ATOM 538 CZ PHE A 39 3.320 2.161 -1.396 1.00 0.00 C ATOM 0 H PHE A 39 7.441 2.914 2.717 1.00 0.00 H new ATOM 0 HA PHE A 39 5.562 5.035 2.046 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.656 2.348 3.159 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.657 3.784 3.056 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.380 1.182 1.084 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.675 4.471 0.970 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.716 0.557 -1.197 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.008 3.846 -1.311 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.027 1.885 -2.398 1.00 0.00 H new ATOM 548 N LYS A 40 5.899 5.823 4.357 1.00 0.00 N ATOM 549 CA LYS A 40 6.150 6.339 5.697 1.00 0.00 C ATOM 550 C LYS A 40 4.843 6.698 6.396 1.00 0.00 C ATOM 551 O LYS A 40 4.151 7.635 5.996 1.00 0.00 O ATOM 552 CB LYS A 40 7.059 7.569 5.631 1.00 0.00 C ATOM 553 CG LYS A 40 7.648 7.964 6.974 1.00 0.00 C ATOM 554 CD LYS A 40 8.939 8.747 6.808 1.00 0.00 C ATOM 555 CE LYS A 40 8.674 10.241 6.695 1.00 0.00 C ATOM 556 NZ LYS A 40 9.907 11.042 6.929 1.00 0.00 N ATOM 0 H LYS A 40 5.620 6.531 3.678 1.00 0.00 H new ATOM 0 HA LYS A 40 6.647 5.558 6.272 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.871 7.373 4.931 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.491 8.409 5.232 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.926 8.565 7.527 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.838 7.069 7.566 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.594 8.556 7.658 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.464 8.401 5.917 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.277 10.466 5.705 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.911 10.530 7.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.685 12.054 6.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.272 10.847 7.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.627 10.785 6.224 1.00 0.00 H new ATOM 570 N ILE A 41 4.511 5.947 7.441 1.00 0.00 N ATOM 571 CA ILE A 41 3.287 6.188 8.196 1.00 0.00 C ATOM 572 C ILE A 41 3.548 6.134 9.698 1.00 0.00 C ATOM 573 O ILE A 41 4.654 5.816 10.136 1.00 0.00 O ATOM 574 CB ILE A 41 2.194 5.164 7.839 1.00 0.00 C ATOM 575 CG1 ILE A 41 2.523 3.801 8.452 1.00 0.00 C ATOM 576 CG2 ILE A 41 2.047 5.050 6.329 1.00 0.00 C ATOM 577 CD1 ILE A 41 1.574 2.702 8.026 1.00 0.00 C ATOM 0 H ILE A 41 5.072 5.167 7.784 1.00 0.00 H new ATOM 0 HA ILE A 41 2.941 7.185 7.925 1.00 0.00 H new ATOM 0 HB ILE A 41 1.246 5.508 8.251 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.539 3.522 8.172 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.503 3.886 9.539 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.271 4.322 6.093 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.772 6.021 5.916 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.993 4.725 5.895 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.867 1.765 8.498 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.559 2.959 8.330 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.611 2.589 6.942 1.00 0.00 H new ATOM 589 N LYS A 42 2.522 6.445 10.482 1.00 0.00 N ATOM 590 CA LYS A 42 2.638 6.430 11.936 1.00 0.00 C ATOM 591 C LYS A 42 2.368 5.034 12.488 1.00 0.00 C ATOM 592 O LYS A 42 1.933 4.142 11.760 1.00 0.00 O ATOM 593 CB LYS A 42 1.663 7.433 12.556 1.00 0.00 C ATOM 594 CG LYS A 42 1.729 8.814 11.927 1.00 0.00 C ATOM 595 CD LYS A 42 0.384 9.518 11.986 1.00 0.00 C ATOM 596 CE LYS A 42 0.123 10.107 13.364 1.00 0.00 C ATOM 597 NZ LYS A 42 0.641 11.498 13.480 1.00 0.00 N ATOM 0 H LYS A 42 1.600 6.711 10.135 1.00 0.00 H new ATOM 0 HA LYS A 42 3.657 6.714 12.198 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.648 7.047 12.460 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.872 7.518 13.622 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.478 9.415 12.443 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.050 8.727 10.889 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.354 10.311 11.239 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.408 8.813 11.735 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.948 10.101 13.565 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.593 9.480 14.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.444 11.864 14.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.668 11.501 13.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.174 12.102 12.774 1.00 0.00 H new ATOM 611 N ARG A 43 2.626 4.853 13.779 1.00 0.00 N ATOM 612 CA ARG A 43 2.410 3.566 14.429 1.00 0.00 C ATOM 613 C ARG A 43 0.920 3.261 14.549 1.00 0.00 C ATOM 614 O ARG A 43 0.503 2.105 14.467 1.00 0.00 O ATOM 615 CB ARG A 43 3.058 3.555 15.814 1.00 0.00 C ATOM 616 CG ARG A 43 4.549 3.262 15.787 1.00 0.00 C ATOM 617 CD ARG A 43 5.159 3.346 17.178 1.00 0.00 C ATOM 618 NE ARG A 43 6.460 2.687 17.246 1.00 0.00 N ATOM 619 CZ ARG A 43 7.088 2.414 18.385 1.00 0.00 C ATOM 620 NH1 ARG A 43 6.535 2.742 19.545 1.00 0.00 N ATOM 621 NH2 ARG A 43 8.270 1.812 18.365 1.00 0.00 N ATOM 0 H ARG A 43 2.985 5.582 14.396 1.00 0.00 H new ATOM 0 HA ARG A 43 2.872 2.794 13.814 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.895 4.522 16.290 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.561 2.808 16.432 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.718 2.268 15.374 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.048 3.971 15.126 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.267 4.392 17.464 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.482 2.887 17.899 1.00 0.00 H new ATOM 0 HE ARG A 43 6.912 2.421 16.371 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.626 3.205 19.564 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.019 2.532 20.418 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.698 1.558 17.475 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.751 1.603 19.240 1.00 0.00 H new ATOM 635 N HIS A 44 0.122 4.306 14.746 1.00 0.00 N ATOM 636 CA HIS A 44 -1.323 4.150 14.878 1.00 0.00 C ATOM 637 C HIS A 44 -2.011 4.297 13.525 1.00 0.00 C ATOM 638 O HIS A 44 -3.229 4.149 13.416 1.00 0.00 O ATOM 639 CB HIS A 44 -1.880 5.180 15.861 1.00 0.00 C ATOM 640 CG HIS A 44 -2.340 6.445 15.207 1.00 0.00 C ATOM 641 ND1 HIS A 44 -3.371 6.487 14.291 1.00 0.00 N ATOM 642 CD2 HIS A 44 -1.905 7.720 15.340 1.00 0.00 C ATOM 643 CE1 HIS A 44 -3.548 7.733 13.889 1.00 0.00 C ATOM 644 NE2 HIS A 44 -2.672 8.501 14.511 1.00 0.00 N ATOM 0 H HIS A 44 0.451 5.269 14.818 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.522 3.149 15.260 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.715 4.737 16.404 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.112 5.420 16.597 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -3.912 5.682 13.974 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.104 8.060 15.979 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.284 8.067 13.173 1.00 0.00 H new ATOM 653 N THR A 45 -1.224 4.590 12.494 1.00 0.00 N ATOM 654 CA THR A 45 -1.757 4.759 11.149 1.00 0.00 C ATOM 655 C THR A 45 -2.096 3.413 10.518 1.00 0.00 C ATOM 656 O THR A 45 -1.234 2.555 10.329 1.00 0.00 O ATOM 657 CB THR A 45 -0.761 5.503 10.239 1.00 0.00 C ATOM 658 OG1 THR A 45 -0.666 6.875 10.636 1.00 0.00 O ATOM 659 CG2 THR A 45 -1.193 5.420 8.782 1.00 0.00 C ATOM 0 H THR A 45 -0.214 4.715 12.566 1.00 0.00 H new ATOM 0 HA THR A 45 -2.666 5.353 11.242 1.00 0.00 H new ATOM 0 HB THR A 45 0.215 5.028 10.340 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.471 7.128 11.134 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.475 5.952 8.159 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.236 4.375 8.474 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.178 5.873 8.668 1.00 0.00 H new ATOM 667 N PRO A 46 -3.381 3.222 10.185 1.00 0.00 N ATOM 668 CA PRO A 46 -3.863 1.982 9.569 1.00 0.00 C ATOM 669 C PRO A 46 -3.364 1.813 8.138 1.00 0.00 C ATOM 670 O PRO A 46 -3.601 2.667 7.282 1.00 0.00 O ATOM 671 CB PRO A 46 -5.385 2.144 9.589 1.00 0.00 C ATOM 672 CG PRO A 46 -5.609 3.617 9.604 1.00 0.00 C ATOM 673 CD PRO A 46 -4.462 4.202 10.382 1.00 0.00 C ATOM 0 HA PRO A 46 -3.508 1.099 10.100 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.844 1.683 8.714 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.822 1.668 10.467 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.638 4.018 8.591 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.563 3.862 10.071 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.184 5.187 10.008 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.710 4.320 11.437 1.00 0.00 H new ATOM 681 N LEU A 47 -2.674 0.707 7.884 1.00 0.00 N ATOM 682 CA LEU A 47 -2.142 0.426 6.555 1.00 0.00 C ATOM 683 C LEU A 47 -3.156 0.786 5.474 1.00 0.00 C ATOM 684 O LEU A 47 -2.791 1.054 4.330 1.00 0.00 O ATOM 685 CB LEU A 47 -1.759 -1.051 6.439 1.00 0.00 C ATOM 686 CG LEU A 47 -0.827 -1.590 7.525 1.00 0.00 C ATOM 687 CD1 LEU A 47 -0.650 -3.093 7.378 1.00 0.00 C ATOM 688 CD2 LEU A 47 0.520 -0.884 7.470 1.00 0.00 C ATOM 0 H LEU A 47 -2.470 -0.010 8.580 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.252 1.039 6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.673 -1.644 6.446 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.284 -1.208 5.470 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.279 -1.392 8.497 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.016 -3.459 8.159 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.619 -3.584 7.468 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.220 -3.315 6.401 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.170 -1.280 8.250 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.979 -1.051 6.495 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.377 0.185 7.625 1.00 0.00 H new ATOM 700 N SER A 48 -4.432 0.793 5.847 1.00 0.00 N ATOM 701 CA SER A 48 -5.500 1.119 4.909 1.00 0.00 C ATOM 702 C SER A 48 -5.045 2.183 3.915 1.00 0.00 C ATOM 703 O SER A 48 -5.101 1.980 2.702 1.00 0.00 O ATOM 704 CB SER A 48 -6.739 1.607 5.663 1.00 0.00 C ATOM 705 OG SER A 48 -6.661 2.998 5.925 1.00 0.00 O ATOM 0 H SER A 48 -4.751 0.577 6.791 1.00 0.00 H new ATOM 0 HA SER A 48 -5.752 0.214 4.356 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.633 1.394 5.077 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.836 1.062 6.602 1.00 0.00 H new ATOM 0 HG SER A 48 -7.465 3.286 6.406 1.00 0.00 H new ATOM 711 N LYS A 49 -4.593 3.317 4.438 1.00 0.00 N ATOM 712 CA LYS A 49 -4.125 4.414 3.599 1.00 0.00 C ATOM 713 C LYS A 49 -2.893 4.001 2.800 1.00 0.00 C ATOM 714 O LYS A 49 -2.736 4.385 1.640 1.00 0.00 O ATOM 715 CB LYS A 49 -3.802 5.639 4.458 1.00 0.00 C ATOM 716 CG LYS A 49 -5.034 6.377 4.952 1.00 0.00 C ATOM 717 CD LYS A 49 -4.696 7.791 5.394 1.00 0.00 C ATOM 718 CE LYS A 49 -5.886 8.467 6.057 1.00 0.00 C ATOM 719 NZ LYS A 49 -6.767 9.139 5.062 1.00 0.00 N ATOM 0 H LYS A 49 -4.541 3.501 5.440 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.921 4.668 2.900 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.209 5.324 5.316 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.185 6.326 3.879 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.781 6.411 4.159 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.477 5.831 5.784 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.857 7.765 6.089 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.377 8.377 4.532 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.463 7.726 6.611 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.530 9.200 6.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.566 9.588 5.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.224 9.864 4.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.127 8.435 4.386 1.00 0.00 H new ATOM 733 N LEU A 50 -2.023 3.217 3.426 1.00 0.00 N ATOM 734 CA LEU A 50 -0.805 2.750 2.773 1.00 0.00 C ATOM 735 C LEU A 50 -1.135 1.914 1.540 1.00 0.00 C ATOM 736 O LEU A 50 -0.742 2.254 0.424 1.00 0.00 O ATOM 737 CB LEU A 50 0.038 1.929 3.749 1.00 0.00 C ATOM 738 CG LEU A 50 0.898 0.826 3.130 1.00 0.00 C ATOM 739 CD1 LEU A 50 1.792 1.395 2.040 1.00 0.00 C ATOM 740 CD2 LEU A 50 1.732 0.136 4.200 1.00 0.00 C ATOM 0 H LEU A 50 -2.138 2.891 4.386 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.235 3.623 2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.692 2.609 4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.630 1.474 4.481 1.00 0.00 H new ATOM 0 HG LEU A 50 0.237 0.086 2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.397 0.596 1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.175 1.842 1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.446 2.156 2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.337 -0.646 3.741 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.384 0.866 4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.072 -0.307 4.946 1.00 0.00 H new ATOM 752 N MET A 51 -1.860 0.821 1.749 1.00 0.00 N ATOM 753 CA MET A 51 -2.246 -0.062 0.654 1.00 0.00 C ATOM 754 C MET A 51 -2.846 0.735 -0.500 1.00 0.00 C ATOM 755 O MET A 51 -2.442 0.577 -1.653 1.00 0.00 O ATOM 756 CB MET A 51 -3.249 -1.108 1.143 1.00 0.00 C ATOM 757 CG MET A 51 -2.726 -1.965 2.285 1.00 0.00 C ATOM 758 SD MET A 51 -4.040 -2.554 3.369 1.00 0.00 S ATOM 759 CE MET A 51 -3.290 -4.039 4.034 1.00 0.00 C ATOM 0 H MET A 51 -2.193 0.525 2.667 1.00 0.00 H new ATOM 0 HA MET A 51 -1.350 -0.569 0.296 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.159 -0.603 1.466 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.522 -1.755 0.309 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.188 -2.820 1.876 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.010 -1.387 2.869 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.962 -4.884 3.884 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.346 -4.230 3.523 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.105 -3.907 5.100 1.00 0.00 H new ATOM 769 N LYS A 52 -3.812 1.590 -0.184 1.00 0.00 N ATOM 770 CA LYS A 52 -4.468 2.413 -1.193 1.00 0.00 C ATOM 771 C LYS A 52 -3.440 3.159 -2.038 1.00 0.00 C ATOM 772 O LYS A 52 -3.463 3.088 -3.266 1.00 0.00 O ATOM 773 CB LYS A 52 -5.419 3.410 -0.529 1.00 0.00 C ATOM 774 CG LYS A 52 -6.829 2.875 -0.344 1.00 0.00 C ATOM 775 CD LYS A 52 -7.843 4.002 -0.235 1.00 0.00 C ATOM 776 CE LYS A 52 -9.222 3.556 -0.696 1.00 0.00 C ATOM 777 NZ LYS A 52 -10.261 4.583 -0.408 1.00 0.00 N ATOM 0 H LYS A 52 -4.159 1.731 0.765 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.041 1.755 -1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.016 3.691 0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.460 4.317 -1.132 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.088 2.231 -1.185 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.870 2.259 0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.897 4.346 0.798 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.513 4.849 -0.836 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.199 3.353 -1.767 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.487 2.622 -0.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.187 4.242 -0.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.301 4.759 0.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.022 5.466 -0.902 1.00 0.00 H new ATOM 791 N ALA A 53 -2.539 3.874 -1.371 1.00 0.00 N ATOM 792 CA ALA A 53 -1.501 4.630 -2.061 1.00 0.00 C ATOM 793 C ALA A 53 -0.622 3.713 -2.904 1.00 0.00 C ATOM 794 O ALA A 53 0.004 4.152 -3.869 1.00 0.00 O ATOM 795 CB ALA A 53 -0.655 5.400 -1.058 1.00 0.00 C ATOM 0 H ALA A 53 -2.507 3.945 -0.354 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.987 5.339 -2.731 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.116 5.960 -1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.289 6.091 -0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.186 4.701 -0.366 1.00 0.00 H new ATOM 801 N TYR A 54 -0.579 2.438 -2.534 1.00 0.00 N ATOM 802 CA TYR A 54 0.227 1.460 -3.254 1.00 0.00 C ATOM 803 C TYR A 54 -0.486 0.994 -4.521 1.00 0.00 C ATOM 804 O TYR A 54 0.150 0.730 -5.542 1.00 0.00 O ATOM 805 CB TYR A 54 0.532 0.259 -2.357 1.00 0.00 C ATOM 806 CG TYR A 54 1.319 -0.830 -3.050 1.00 0.00 C ATOM 807 CD1 TYR A 54 0.678 -1.806 -3.803 1.00 0.00 C ATOM 808 CD2 TYR A 54 2.704 -0.883 -2.952 1.00 0.00 C ATOM 809 CE1 TYR A 54 1.393 -2.804 -4.437 1.00 0.00 C ATOM 810 CE2 TYR A 54 3.428 -1.876 -3.584 1.00 0.00 C ATOM 811 CZ TYR A 54 2.768 -2.834 -4.325 1.00 0.00 C ATOM 812 OH TYR A 54 3.485 -3.825 -4.955 1.00 0.00 O ATOM 0 H TYR A 54 -1.093 2.058 -1.739 1.00 0.00 H new ATOM 0 HA TYR A 54 1.164 1.939 -3.540 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.090 0.600 -1.485 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.406 -0.159 -1.992 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -0.398 -1.784 -3.894 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.224 -0.135 -2.372 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.879 -3.556 -5.017 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.504 -1.902 -3.498 1.00 0.00 H new ATOM 0 HH TYR A 54 4.441 -3.701 -4.776 1.00 0.00 H new ATOM 822 N CYS A 55 -1.808 0.897 -4.446 1.00 0.00 N ATOM 823 CA CYS A 55 -2.609 0.464 -5.586 1.00 0.00 C ATOM 824 C CYS A 55 -2.760 1.590 -6.603 1.00 0.00 C ATOM 825 O CYS A 55 -2.752 1.352 -7.811 1.00 0.00 O ATOM 826 CB CYS A 55 -3.987 -0.006 -5.118 1.00 0.00 C ATOM 827 SG CYS A 55 -3.937 -1.307 -3.864 1.00 0.00 S ATOM 0 H CYS A 55 -2.349 1.112 -3.608 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.094 -0.368 -6.066 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.534 0.848 -4.718 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.547 -0.368 -5.980 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.774 -1.023 -2.911 1.00 0.00 H new ATOM 833 N GLU A 56 -2.899 2.815 -6.107 1.00 0.00 N ATOM 834 CA GLU A 56 -3.054 3.977 -6.974 1.00 0.00 C ATOM 835 C GLU A 56 -1.754 4.283 -7.712 1.00 0.00 C ATOM 836 O GLU A 56 -1.758 4.539 -8.916 1.00 0.00 O ATOM 837 CB GLU A 56 -3.489 5.196 -6.157 1.00 0.00 C ATOM 838 CG GLU A 56 -2.336 5.919 -5.483 1.00 0.00 C ATOM 839 CD GLU A 56 -2.804 6.997 -4.524 1.00 0.00 C ATOM 840 OE1 GLU A 56 -3.970 6.933 -4.083 1.00 0.00 O ATOM 841 OE2 GLU A 56 -2.003 7.904 -4.216 1.00 0.00 O ATOM 0 H GLU A 56 -2.907 3.029 -5.110 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.824 3.748 -7.711 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.012 5.894 -6.811 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.202 4.878 -5.396 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.726 5.196 -4.941 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.698 6.368 -6.245 1.00 0.00 H new ATOM 848 N ARG A 57 -0.645 4.256 -6.981 1.00 0.00 N ATOM 849 CA ARG A 57 0.662 4.532 -7.565 1.00 0.00 C ATOM 850 C ARG A 57 0.825 3.809 -8.899 1.00 0.00 C ATOM 851 O ARG A 57 1.112 4.432 -9.921 1.00 0.00 O ATOM 852 CB ARG A 57 1.774 4.106 -6.604 1.00 0.00 C ATOM 853 CG ARG A 57 3.123 4.732 -6.918 1.00 0.00 C ATOM 854 CD ARG A 57 4.218 4.175 -6.022 1.00 0.00 C ATOM 855 NE ARG A 57 5.474 4.903 -6.176 1.00 0.00 N ATOM 856 CZ ARG A 57 5.706 6.093 -5.632 1.00 0.00 C ATOM 857 NH1 ARG A 57 4.771 6.685 -4.902 1.00 0.00 N ATOM 858 NH2 ARG A 57 6.875 6.692 -5.818 1.00 0.00 N ATOM 0 H ARG A 57 -0.625 4.046 -5.983 1.00 0.00 H new ATOM 0 HA ARG A 57 0.734 5.605 -7.741 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.486 4.374 -5.587 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.871 3.021 -6.632 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.377 4.548 -7.962 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.062 5.813 -6.791 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.896 4.224 -4.982 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.378 3.123 -6.256 1.00 0.00 H new ATOM 0 HE ARG A 57 6.214 4.475 -6.732 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.871 6.227 -4.757 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.951 7.598 -4.485 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.597 6.239 -6.379 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.052 7.605 -5.400 1.00 0.00 H new ATOM 872 N GLN A 58 0.639 2.494 -8.881 1.00 0.00 N ATOM 873 CA GLN A 58 0.767 1.687 -10.089 1.00 0.00 C ATOM 874 C GLN A 58 -0.509 1.748 -10.921 1.00 0.00 C ATOM 875 O GLN A 58 -0.468 2.017 -12.121 1.00 0.00 O ATOM 876 CB GLN A 58 1.085 0.236 -9.727 1.00 0.00 C ATOM 877 CG GLN A 58 2.328 0.082 -8.866 1.00 0.00 C ATOM 878 CD GLN A 58 3.516 0.847 -9.413 1.00 0.00 C ATOM 879 OE1 GLN A 58 3.854 0.732 -10.592 1.00 0.00 O ATOM 880 NE2 GLN A 58 4.158 1.635 -8.559 1.00 0.00 N ATOM 0 H GLN A 58 0.399 1.964 -8.043 1.00 0.00 H new ATOM 0 HA GLN A 58 1.586 2.093 -10.682 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.233 -0.193 -9.200 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.215 -0.338 -10.644 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.111 0.430 -7.856 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.585 -0.975 -8.791 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.844 1.701 -7.591 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.965 2.175 -8.871 1.00 0.00 H new ATOM 889 N GLY A 59 -1.644 1.497 -10.276 1.00 0.00 N ATOM 890 CA GLY A 59 -2.917 1.527 -10.972 1.00 0.00 C ATOM 891 C GLY A 59 -3.638 0.195 -10.921 1.00 0.00 C ATOM 892 O GLY A 59 -4.303 -0.197 -11.882 1.00 0.00 O ATOM 0 H GLY A 59 -1.705 1.273 -9.283 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.551 2.296 -10.531 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.752 1.808 -12.012 1.00 0.00 H new ATOM 896 N LEU A 60 -3.507 -0.505 -9.800 1.00 0.00 N ATOM 897 CA LEU A 60 -4.150 -1.803 -9.628 1.00 0.00 C ATOM 898 C LEU A 60 -5.267 -1.724 -8.593 1.00 0.00 C ATOM 899 O LEU A 60 -5.514 -0.668 -8.010 1.00 0.00 O ATOM 900 CB LEU A 60 -3.121 -2.852 -9.205 1.00 0.00 C ATOM 901 CG LEU A 60 -1.787 -2.823 -9.952 1.00 0.00 C ATOM 902 CD1 LEU A 60 -0.677 -3.399 -9.086 1.00 0.00 C ATOM 903 CD2 LEU A 60 -1.893 -3.588 -11.263 1.00 0.00 C ATOM 0 H LEU A 60 -2.961 -0.195 -8.996 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.585 -2.095 -10.584 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.921 -2.728 -8.141 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.565 -3.839 -9.333 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.542 -1.785 -10.178 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.265 -3.370 -9.634 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.584 -2.809 -8.174 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.915 -4.431 -8.828 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.934 -3.557 -11.781 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.161 -4.624 -11.059 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.659 -3.132 -11.890 1.00 0.00 H new ATOM 915 N SER A 61 -5.939 -2.848 -8.367 1.00 0.00 N ATOM 916 CA SER A 61 -7.031 -2.906 -7.403 1.00 0.00 C ATOM 917 C SER A 61 -6.608 -3.662 -6.147 1.00 0.00 C ATOM 918 O SER A 61 -5.863 -4.638 -6.219 1.00 0.00 O ATOM 919 CB SER A 61 -8.256 -3.578 -8.028 1.00 0.00 C ATOM 920 OG SER A 61 -9.160 -4.019 -7.030 1.00 0.00 O ATOM 0 H SER A 61 -5.746 -3.731 -8.839 1.00 0.00 H new ATOM 0 HA SER A 61 -7.289 -1.885 -7.122 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.759 -2.877 -8.695 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.939 -4.425 -8.636 1.00 0.00 H new ATOM 0 HG SER A 61 -9.935 -4.443 -7.455 1.00 0.00 H new ATOM 926 N MET A 62 -7.090 -3.202 -4.997 1.00 0.00 N ATOM 927 CA MET A 62 -6.762 -3.834 -3.725 1.00 0.00 C ATOM 928 C MET A 62 -7.045 -5.333 -3.774 1.00 0.00 C ATOM 929 O MET A 62 -6.307 -6.132 -3.199 1.00 0.00 O ATOM 930 CB MET A 62 -7.561 -3.190 -2.590 1.00 0.00 C ATOM 931 CG MET A 62 -7.229 -1.723 -2.371 1.00 0.00 C ATOM 932 SD MET A 62 -5.828 -1.486 -1.260 1.00 0.00 S ATOM 933 CE MET A 62 -6.664 -1.382 0.321 1.00 0.00 C ATOM 0 H MET A 62 -7.708 -2.395 -4.920 1.00 0.00 H new ATOM 0 HA MET A 62 -5.698 -3.688 -3.539 1.00 0.00 H new ATOM 0 HB2 MET A 62 -8.625 -3.285 -2.806 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.373 -3.739 -1.667 1.00 0.00 H new ATOM 0 HG2 MET A 62 -7.009 -1.257 -3.331 1.00 0.00 H new ATOM 0 HG3 MET A 62 -8.102 -1.214 -1.962 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.728 -0.339 0.631 1.00 0.00 H new ATOM 0 HE2 MET A 62 -7.668 -1.795 0.229 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.105 -1.948 1.066 1.00 0.00 H new ATOM 943 N ARG A 63 -8.119 -5.705 -4.463 1.00 0.00 N ATOM 944 CA ARG A 63 -8.499 -7.107 -4.585 1.00 0.00 C ATOM 945 C ARG A 63 -7.478 -7.877 -5.419 1.00 0.00 C ATOM 946 O ARG A 63 -6.959 -8.905 -4.986 1.00 0.00 O ATOM 947 CB ARG A 63 -9.886 -7.228 -5.219 1.00 0.00 C ATOM 948 CG ARG A 63 -10.944 -6.378 -4.536 1.00 0.00 C ATOM 949 CD ARG A 63 -11.519 -7.079 -3.315 1.00 0.00 C ATOM 950 NE ARG A 63 -12.583 -8.014 -3.671 1.00 0.00 N ATOM 951 CZ ARG A 63 -13.425 -8.541 -2.789 1.00 0.00 C ATOM 952 NH1 ARG A 63 -13.326 -8.226 -1.505 1.00 0.00 N ATOM 953 NH2 ARG A 63 -14.367 -9.384 -3.191 1.00 0.00 N ATOM 0 H ARG A 63 -8.741 -5.056 -4.945 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.525 -7.539 -3.584 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.823 -6.940 -6.268 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.198 -8.272 -5.193 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.509 -5.424 -4.238 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.745 -6.157 -5.241 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.724 -7.615 -2.797 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.908 -6.335 -2.620 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.685 -8.277 -4.651 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -12.603 -7.578 -1.193 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -13.973 -8.632 -0.829 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.445 -9.628 -4.178 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.013 -9.788 -2.513 1.00 0.00 H new ATOM 967 N GLN A 64 -7.197 -7.372 -6.615 1.00 0.00 N ATOM 968 CA GLN A 64 -6.240 -8.013 -7.509 1.00 0.00 C ATOM 969 C GLN A 64 -4.940 -8.330 -6.777 1.00 0.00 C ATOM 970 O GLN A 64 -4.356 -9.398 -6.965 1.00 0.00 O ATOM 971 CB GLN A 64 -5.955 -7.115 -8.714 1.00 0.00 C ATOM 972 CG GLN A 64 -5.382 -7.862 -9.908 1.00 0.00 C ATOM 973 CD GLN A 64 -5.090 -6.949 -11.082 1.00 0.00 C ATOM 974 OE1 GLN A 64 -4.726 -5.786 -10.904 1.00 0.00 O ATOM 975 NE2 GLN A 64 -5.248 -7.472 -12.292 1.00 0.00 N ATOM 0 H GLN A 64 -7.618 -6.521 -6.988 1.00 0.00 H new ATOM 0 HA GLN A 64 -6.677 -8.949 -7.858 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.879 -6.621 -9.015 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.257 -6.333 -8.416 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.464 -8.368 -9.609 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.085 -8.635 -10.220 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.551 -8.441 -12.393 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.066 -6.905 -13.120 1.00 0.00 H new ATOM 984 N ILE A 65 -4.493 -7.396 -5.944 1.00 0.00 N ATOM 985 CA ILE A 65 -3.262 -7.577 -5.184 1.00 0.00 C ATOM 986 C ILE A 65 -3.560 -7.992 -3.747 1.00 0.00 C ATOM 987 O ILE A 65 -4.711 -7.975 -3.311 1.00 0.00 O ATOM 988 CB ILE A 65 -2.415 -6.292 -5.170 1.00 0.00 C ATOM 989 CG1 ILE A 65 -3.169 -5.165 -4.460 1.00 0.00 C ATOM 990 CG2 ILE A 65 -2.052 -5.881 -6.590 1.00 0.00 C ATOM 991 CD1 ILE A 65 -2.260 -4.138 -3.823 1.00 0.00 C ATOM 0 H ILE A 65 -4.965 -6.507 -5.778 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.699 -8.368 -5.679 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.493 -6.488 -4.622 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.821 -4.666 -5.178 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.811 -5.596 -3.692 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.453 -4.971 -6.563 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.480 -6.678 -7.064 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.963 -5.699 -7.160 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.862 -3.370 -3.338 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.626 -4.624 -3.081 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.635 -3.679 -4.590 1.00 0.00 H new ATOM 1003 N ARG A 66 -2.514 -8.364 -3.016 1.00 0.00 N ATOM 1004 CA ARG A 66 -2.663 -8.783 -1.627 1.00 0.00 C ATOM 1005 C ARG A 66 -1.411 -8.449 -0.822 1.00 0.00 C ATOM 1006 O ARG A 66 -0.291 -8.716 -1.257 1.00 0.00 O ATOM 1007 CB ARG A 66 -2.946 -10.284 -1.553 1.00 0.00 C ATOM 1008 CG ARG A 66 -4.336 -10.667 -2.034 1.00 0.00 C ATOM 1009 CD ARG A 66 -5.408 -10.224 -1.049 1.00 0.00 C ATOM 1010 NE ARG A 66 -6.747 -10.302 -1.626 1.00 0.00 N ATOM 1011 CZ ARG A 66 -7.799 -9.662 -1.130 1.00 0.00 C ATOM 1012 NH1 ARG A 66 -7.669 -8.899 -0.053 1.00 0.00 N ATOM 1013 NH2 ARG A 66 -8.986 -9.783 -1.711 1.00 0.00 N ATOM 0 H ARG A 66 -1.555 -8.384 -3.362 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.505 -8.240 -1.197 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.205 -10.815 -2.151 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.823 -10.618 -0.523 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.524 -10.212 -3.007 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.390 -11.747 -2.171 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.361 -10.848 -0.157 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.209 -9.200 -0.732 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.881 -10.880 -2.456 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.759 -8.803 0.397 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.479 -8.409 0.325 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.091 -10.368 -2.540 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.793 -9.291 -1.329 1.00 0.00 H new ATOM 1027 N PHE A 67 -1.609 -7.864 0.355 1.00 0.00 N ATOM 1028 CA PHE A 67 -0.496 -7.493 1.221 1.00 0.00 C ATOM 1029 C PHE A 67 -0.176 -8.613 2.207 1.00 0.00 C ATOM 1030 O PHE A 67 -0.992 -9.508 2.431 1.00 0.00 O ATOM 1031 CB PHE A 67 -0.821 -6.206 1.982 1.00 0.00 C ATOM 1032 CG PHE A 67 -0.942 -5.000 1.095 1.00 0.00 C ATOM 1033 CD1 PHE A 67 -2.125 -4.731 0.426 1.00 0.00 C ATOM 1034 CD2 PHE A 67 0.128 -4.134 0.931 1.00 0.00 C ATOM 1035 CE1 PHE A 67 -2.239 -3.622 -0.391 1.00 0.00 C ATOM 1036 CE2 PHE A 67 0.020 -3.023 0.116 1.00 0.00 C ATOM 1037 CZ PHE A 67 -1.165 -2.766 -0.545 1.00 0.00 C ATOM 0 H PHE A 67 -2.530 -7.637 0.731 1.00 0.00 H new ATOM 0 HA PHE A 67 0.379 -7.325 0.593 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.755 -6.342 2.527 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.043 -6.025 2.723 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.968 -5.396 0.544 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.057 -4.330 1.446 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.166 -3.425 -0.908 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.861 -2.357 -0.004 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.252 -1.898 -1.181 1.00 0.00 H new ATOM 1047 N ARG A 68 1.015 -8.556 2.792 1.00 0.00 N ATOM 1048 CA ARG A 68 1.444 -9.566 3.752 1.00 0.00 C ATOM 1049 C ARG A 68 2.637 -9.072 4.565 1.00 0.00 C ATOM 1050 O ARG A 68 3.519 -8.391 4.041 1.00 0.00 O ATOM 1051 CB ARG A 68 1.808 -10.865 3.030 1.00 0.00 C ATOM 1052 CG ARG A 68 0.601 -11.690 2.615 1.00 0.00 C ATOM 1053 CD ARG A 68 0.970 -13.149 2.400 1.00 0.00 C ATOM 1054 NE ARG A 68 -0.021 -13.851 1.589 1.00 0.00 N ATOM 1055 CZ ARG A 68 -1.125 -14.397 2.087 1.00 0.00 C ATOM 1056 NH1 ARG A 68 -1.378 -14.321 3.386 1.00 0.00 N ATOM 1057 NH2 ARG A 68 -1.979 -15.019 1.284 1.00 0.00 N ATOM 0 H ARG A 68 1.701 -7.821 2.618 1.00 0.00 H new ATOM 0 HA ARG A 68 0.616 -9.757 4.434 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.396 -10.626 2.144 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.443 -11.467 3.681 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.171 -11.618 3.381 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.178 -11.282 1.697 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.944 -13.209 1.914 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.065 -13.645 3.366 1.00 0.00 H new ATOM 0 HE ARG A 68 0.143 -13.926 0.585 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.724 -13.842 4.006 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.226 -14.741 3.766 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.788 -15.078 0.284 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.826 -15.438 1.667 1.00 0.00 H new ATOM 1071 N PHE A 69 2.657 -9.419 5.847 1.00 0.00 N ATOM 1072 CA PHE A 69 3.741 -9.010 6.733 1.00 0.00 C ATOM 1073 C PHE A 69 4.360 -10.218 7.430 1.00 0.00 C ATOM 1074 O PHE A 69 3.697 -10.911 8.201 1.00 0.00 O ATOM 1075 CB PHE A 69 3.227 -8.014 7.776 1.00 0.00 C ATOM 1076 CG PHE A 69 4.305 -7.476 8.672 1.00 0.00 C ATOM 1077 CD1 PHE A 69 5.101 -6.418 8.263 1.00 0.00 C ATOM 1078 CD2 PHE A 69 4.524 -8.028 9.924 1.00 0.00 C ATOM 1079 CE1 PHE A 69 6.093 -5.920 9.086 1.00 0.00 C ATOM 1080 CE2 PHE A 69 5.514 -7.534 10.751 1.00 0.00 C ATOM 1081 CZ PHE A 69 6.301 -6.479 10.331 1.00 0.00 C ATOM 0 H PHE A 69 1.935 -9.982 6.296 1.00 0.00 H new ATOM 0 HA PHE A 69 4.509 -8.529 6.128 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.742 -7.183 7.265 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.466 -8.500 8.387 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.944 -5.977 7.289 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.913 -8.854 10.257 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.705 -5.094 8.755 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.673 -7.972 11.725 1.00 0.00 H new ATOM 0 HZ PHE A 69 7.077 -6.093 10.975 1.00 0.00 H new ATOM 1091 N ASP A 70 5.635 -10.465 7.150 1.00 0.00 N ATOM 1092 CA ASP A 70 6.345 -11.589 7.749 1.00 0.00 C ATOM 1093 C ASP A 70 5.706 -12.914 7.345 1.00 0.00 C ATOM 1094 O ASP A 70 5.763 -13.894 8.086 1.00 0.00 O ATOM 1095 CB ASP A 70 6.357 -11.459 9.273 1.00 0.00 C ATOM 1096 CG ASP A 70 7.474 -10.561 9.769 1.00 0.00 C ATOM 1097 OD1 ASP A 70 8.510 -10.467 9.077 1.00 0.00 O ATOM 1098 OD2 ASP A 70 7.313 -9.954 10.848 1.00 0.00 O ATOM 0 H ASP A 70 6.198 -9.902 6.512 1.00 0.00 H new ATOM 0 HA ASP A 70 7.371 -11.574 7.382 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.399 -11.061 9.608 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.465 -12.448 9.718 1.00 0.00 H new ATOM 1103 N GLY A 71 5.096 -12.935 6.164 1.00 0.00 N ATOM 1104 CA GLY A 71 4.453 -14.143 5.682 1.00 0.00 C ATOM 1105 C GLY A 71 3.090 -14.364 6.308 1.00 0.00 C ATOM 1106 O GLY A 71 2.703 -15.500 6.580 1.00 0.00 O ATOM 0 H GLY A 71 5.036 -12.136 5.532 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.347 -14.087 4.599 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.091 -15.001 5.896 1.00 0.00 H new ATOM 1110 N GLN A 72 2.363 -13.276 6.537 1.00 0.00 N ATOM 1111 CA GLN A 72 1.036 -13.357 7.137 1.00 0.00 C ATOM 1112 C GLN A 72 0.087 -12.350 6.498 1.00 0.00 C ATOM 1113 O GLN A 72 0.475 -11.241 6.130 1.00 0.00 O ATOM 1114 CB GLN A 72 1.120 -13.111 8.645 1.00 0.00 C ATOM 1115 CG GLN A 72 1.736 -14.267 9.416 1.00 0.00 C ATOM 1116 CD GLN A 72 0.705 -15.281 9.872 1.00 0.00 C ATOM 1117 OE1 GLN A 72 -0.137 -15.721 9.089 1.00 0.00 O ATOM 1118 NE2 GLN A 72 0.766 -15.657 11.144 1.00 0.00 N ATOM 0 H GLN A 72 2.670 -12.328 6.317 1.00 0.00 H new ATOM 0 HA GLN A 72 0.645 -14.359 6.960 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.707 -12.211 8.826 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.118 -12.921 9.030 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.476 -14.764 8.788 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.266 -13.877 10.285 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.481 -15.266 11.758 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.098 -16.337 11.508 1.00 0.00 H new ATOM 1127 N PRO A 73 -1.189 -12.742 6.361 1.00 0.00 N ATOM 1128 CA PRO A 73 -2.220 -11.887 5.765 1.00 0.00 C ATOM 1129 C PRO A 73 -2.577 -10.703 6.657 1.00 0.00 C ATOM 1130 O PRO A 73 -3.061 -10.880 7.776 1.00 0.00 O ATOM 1131 CB PRO A 73 -3.419 -12.828 5.619 1.00 0.00 C ATOM 1132 CG PRO A 73 -3.211 -13.872 6.661 1.00 0.00 C ATOM 1133 CD PRO A 73 -1.722 -14.050 6.777 1.00 0.00 C ATOM 0 HA PRO A 73 -1.891 -11.445 4.825 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.359 -12.298 5.772 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.459 -13.266 4.622 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.643 -13.564 7.613 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.695 -14.807 6.379 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.425 -14.299 7.796 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.362 -14.853 6.134 1.00 0.00 H new ATOM 1141 N ILE A 74 -2.337 -9.496 6.155 1.00 0.00 N ATOM 1142 CA ILE A 74 -2.635 -8.284 6.906 1.00 0.00 C ATOM 1143 C ILE A 74 -3.890 -7.601 6.372 1.00 0.00 C ATOM 1144 O ILE A 74 -4.190 -7.675 5.182 1.00 0.00 O ATOM 1145 CB ILE A 74 -1.462 -7.288 6.857 1.00 0.00 C ATOM 1146 CG1 ILE A 74 -0.876 -7.226 5.445 1.00 0.00 C ATOM 1147 CG2 ILE A 74 -0.391 -7.680 7.864 1.00 0.00 C ATOM 1148 CD1 ILE A 74 -0.236 -5.896 5.113 1.00 0.00 C ATOM 0 H ILE A 74 -1.937 -9.332 5.231 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.801 -8.587 7.940 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.834 -6.298 7.120 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.132 -8.015 5.334 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.667 -7.430 4.723 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.431 -6.966 7.817 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.817 -7.678 8.867 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.019 -8.678 7.630 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.158 -5.925 4.097 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.981 -5.104 5.191 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.577 -5.699 5.812 1.00 0.00 H new ATOM 1160 N ASN A 75 -4.618 -6.934 7.262 1.00 0.00 N ATOM 1161 CA ASN A 75 -5.840 -6.236 6.880 1.00 0.00 C ATOM 1162 C ASN A 75 -5.686 -4.729 7.063 1.00 0.00 C ATOM 1163 O ASN A 75 -5.198 -4.266 8.093 1.00 0.00 O ATOM 1164 CB ASN A 75 -7.022 -6.743 7.708 1.00 0.00 C ATOM 1165 CG ASN A 75 -7.126 -8.256 7.701 1.00 0.00 C ATOM 1166 OD1 ASN A 75 -7.085 -8.897 8.752 1.00 0.00 O ATOM 1167 ND2 ASN A 75 -7.262 -8.834 6.514 1.00 0.00 N ATOM 0 H ASN A 75 -4.383 -6.862 8.252 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.030 -6.439 5.826 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.919 -6.393 8.735 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.946 -6.316 7.317 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.337 -9.849 6.447 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.291 -8.263 5.669 1.00 0.00 H new ATOM 1174 N GLU A 76 -6.106 -3.970 6.055 1.00 0.00 N ATOM 1175 CA GLU A 76 -6.014 -2.516 6.106 1.00 0.00 C ATOM 1176 C GLU A 76 -6.312 -2.000 7.511 1.00 0.00 C ATOM 1177 O GLU A 76 -5.629 -1.108 8.016 1.00 0.00 O ATOM 1178 CB GLU A 76 -6.984 -1.886 5.104 1.00 0.00 C ATOM 1179 CG GLU A 76 -8.348 -2.555 5.074 1.00 0.00 C ATOM 1180 CD GLU A 76 -9.298 -1.900 4.091 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -9.739 -0.762 4.360 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -9.602 -2.524 3.052 1.00 0.00 O ATOM 0 H GLU A 76 -6.513 -4.338 5.195 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.995 -2.233 5.842 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.111 -0.831 5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.544 -1.932 4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.227 -3.606 4.811 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.786 -2.524 6.072 1.00 0.00 H new ATOM 1189 N THR A 77 -7.337 -2.568 8.139 1.00 0.00 N ATOM 1190 CA THR A 77 -7.727 -2.166 9.484 1.00 0.00 C ATOM 1191 C THR A 77 -6.548 -2.249 10.447 1.00 0.00 C ATOM 1192 O THR A 77 -6.266 -1.303 11.182 1.00 0.00 O ATOM 1193 CB THR A 77 -8.876 -3.040 10.021 1.00 0.00 C ATOM 1194 OG1 THR A 77 -8.503 -4.422 9.974 1.00 0.00 O ATOM 1195 CG2 THR A 77 -10.145 -2.824 9.209 1.00 0.00 C ATOM 0 H THR A 77 -7.912 -3.308 7.737 1.00 0.00 H new ATOM 0 HA THR A 77 -8.067 -1.132 9.418 1.00 0.00 H new ATOM 0 HB THR A 77 -9.071 -2.751 11.054 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.238 -4.971 10.319 1.00 0.00 H new ATOM 0 HG21 THR A 77 -10.943 -3.452 9.607 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.442 -1.777 9.270 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.960 -3.088 8.168 1.00 0.00 H new ATOM 1203 N ASP A 78 -5.862 -3.387 10.437 1.00 0.00 N ATOM 1204 CA ASP A 78 -4.711 -3.593 11.309 1.00 0.00 C ATOM 1205 C ASP A 78 -3.758 -2.405 11.240 1.00 0.00 C ATOM 1206 O ASP A 78 -3.736 -1.668 10.253 1.00 0.00 O ATOM 1207 CB ASP A 78 -3.975 -4.877 10.922 1.00 0.00 C ATOM 1208 CG ASP A 78 -4.519 -6.096 11.642 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -4.248 -6.239 12.852 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -5.215 -6.906 10.994 1.00 0.00 O ATOM 0 H ASP A 78 -6.083 -4.180 9.835 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.073 -3.686 12.333 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.056 -5.028 9.846 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -2.915 -4.767 11.150 1.00 0.00 H new ATOM 1215 N THR A 79 -2.970 -2.223 12.295 1.00 0.00 N ATOM 1216 CA THR A 79 -2.015 -1.123 12.356 1.00 0.00 C ATOM 1217 C THR A 79 -0.584 -1.641 12.442 1.00 0.00 C ATOM 1218 O THR A 79 -0.334 -2.786 12.821 1.00 0.00 O ATOM 1219 CB THR A 79 -2.291 -0.206 13.562 1.00 0.00 C ATOM 1220 OG1 THR A 79 -2.808 -0.975 14.654 1.00 0.00 O ATOM 1221 CG2 THR A 79 -3.280 0.890 13.194 1.00 0.00 C ATOM 0 H THR A 79 -2.974 -2.824 13.119 1.00 0.00 H new ATOM 0 HA THR A 79 -2.135 -0.549 11.437 1.00 0.00 H new ATOM 0 HB THR A 79 -1.351 0.260 13.859 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.979 -0.385 15.417 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.459 1.525 14.062 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.871 1.492 12.382 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.220 0.440 12.874 1.00 0.00 H new ATOM 1229 N PRO A 80 0.380 -0.780 12.084 1.00 0.00 N ATOM 1230 CA PRO A 80 1.804 -1.129 12.114 1.00 0.00 C ATOM 1231 C PRO A 80 2.333 -1.283 13.536 1.00 0.00 C ATOM 1232 O PRO A 80 3.469 -1.708 13.742 1.00 0.00 O ATOM 1233 CB PRO A 80 2.474 0.059 11.419 1.00 0.00 C ATOM 1234 CG PRO A 80 1.535 1.197 11.623 1.00 0.00 C ATOM 1235 CD PRO A 80 0.155 0.600 11.623 1.00 0.00 C ATOM 0 HA PRO A 80 2.000 -2.087 11.633 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.452 0.270 11.852 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.631 -0.140 10.359 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.739 1.708 12.564 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.640 1.937 10.829 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.517 1.141 12.289 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.293 0.624 10.630 1.00 0.00 H new ATOM 1243 N ALA A 81 1.502 -0.933 14.512 1.00 0.00 N ATOM 1244 CA ALA A 81 1.886 -1.035 15.915 1.00 0.00 C ATOM 1245 C ALA A 81 1.474 -2.381 16.501 1.00 0.00 C ATOM 1246 O ALA A 81 2.102 -2.879 17.435 1.00 0.00 O ATOM 1247 CB ALA A 81 1.269 0.102 16.715 1.00 0.00 C ATOM 0 H ALA A 81 0.559 -0.576 14.357 1.00 0.00 H new ATOM 0 HA ALA A 81 2.972 -0.960 15.975 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.564 0.013 17.761 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.617 1.056 16.319 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.183 0.053 16.639 1.00 0.00 H new ATOM 1253 N GLN A 82 0.416 -2.964 15.946 1.00 0.00 N ATOM 1254 CA GLN A 82 -0.080 -4.252 16.416 1.00 0.00 C ATOM 1255 C GLN A 82 0.827 -5.386 15.951 1.00 0.00 C ATOM 1256 O GLN A 82 1.052 -6.354 16.679 1.00 0.00 O ATOM 1257 CB GLN A 82 -1.507 -4.486 15.916 1.00 0.00 C ATOM 1258 CG GLN A 82 -2.272 -5.521 16.724 1.00 0.00 C ATOM 1259 CD GLN A 82 -2.426 -5.128 18.180 1.00 0.00 C ATOM 1260 OE1 GLN A 82 -1.848 -5.755 19.069 1.00 0.00 O ATOM 1261 NE2 GLN A 82 -3.208 -4.085 18.433 1.00 0.00 N ATOM 0 H GLN A 82 -0.114 -2.565 15.171 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.083 -4.237 17.506 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.052 -3.542 15.942 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.471 -4.805 14.874 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -3.259 -5.663 16.284 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.755 -6.479 16.663 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.668 -3.594 17.666 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -3.349 -3.775 19.394 1.00 0.00 H new ATOM 1270 N LEU A 83 1.344 -5.263 14.734 1.00 0.00 N ATOM 1271 CA LEU A 83 2.227 -6.278 14.170 1.00 0.00 C ATOM 1272 C LEU A 83 3.687 -5.961 14.476 1.00 0.00 C ATOM 1273 O LEU A 83 4.595 -6.579 13.922 1.00 0.00 O ATOM 1274 CB LEU A 83 2.021 -6.379 12.658 1.00 0.00 C ATOM 1275 CG LEU A 83 0.569 -6.444 12.181 1.00 0.00 C ATOM 1276 CD1 LEU A 83 0.466 -6.016 10.726 1.00 0.00 C ATOM 1277 CD2 LEU A 83 0.008 -7.846 12.368 1.00 0.00 C ATOM 0 H LEU A 83 1.167 -4.470 14.118 1.00 0.00 H new ATOM 0 HA LEU A 83 1.979 -7.235 14.629 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.499 -5.519 12.188 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.540 -7.268 12.299 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.023 -5.755 12.784 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.574 -6.069 10.404 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.827 -4.993 10.621 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.071 -6.679 10.108 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.026 -7.873 12.023 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.602 -8.555 11.791 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.046 -8.115 13.424 1.00 0.00 H new ATOM 1289 N GLU A 84 3.904 -4.995 15.363 1.00 0.00 N ATOM 1290 CA GLU A 84 5.255 -4.597 15.743 1.00 0.00 C ATOM 1291 C GLU A 84 6.090 -4.263 14.511 1.00 0.00 C ATOM 1292 O GLU A 84 7.271 -4.601 14.438 1.00 0.00 O ATOM 1293 CB GLU A 84 5.932 -5.710 16.545 1.00 0.00 C ATOM 1294 CG GLU A 84 5.605 -5.677 18.028 1.00 0.00 C ATOM 1295 CD GLU A 84 6.330 -6.755 18.810 1.00 0.00 C ATOM 1296 OE1 GLU A 84 6.465 -7.879 18.283 1.00 0.00 O ATOM 1297 OE2 GLU A 84 6.761 -6.476 19.948 1.00 0.00 O ATOM 0 H GLU A 84 3.163 -4.474 15.832 1.00 0.00 H new ATOM 0 HA GLU A 84 5.182 -3.704 16.364 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.631 -6.675 16.137 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.012 -5.633 16.418 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.869 -4.700 18.433 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.530 -5.797 18.162 1.00 0.00 H new ATOM 1304 N MET A 85 5.468 -3.597 13.543 1.00 0.00 N ATOM 1305 CA MET A 85 6.154 -3.216 12.314 1.00 0.00 C ATOM 1306 C MET A 85 7.369 -2.345 12.617 1.00 0.00 C ATOM 1307 O MET A 85 7.241 -1.139 12.827 1.00 0.00 O ATOM 1308 CB MET A 85 5.198 -2.471 11.381 1.00 0.00 C ATOM 1309 CG MET A 85 4.114 -3.357 10.788 1.00 0.00 C ATOM 1310 SD MET A 85 3.294 -2.599 9.372 1.00 0.00 S ATOM 1311 CE MET A 85 3.561 -3.848 8.117 1.00 0.00 C ATOM 0 H MET A 85 4.490 -3.310 13.586 1.00 0.00 H new ATOM 0 HA MET A 85 6.496 -4.126 11.821 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.729 -1.655 11.931 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.771 -2.021 10.571 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.553 -4.307 10.483 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.373 -3.580 11.555 1.00 0.00 H new ATOM 0 HE1 MET A 85 3.006 -3.584 7.217 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.624 -3.908 7.884 1.00 0.00 H new ATOM 0 HE3 MET A 85 3.215 -4.814 8.486 1.00 0.00 H new ATOM 1321 N GLU A 86 8.545 -2.964 12.639 1.00 0.00 N ATOM 1322 CA GLU A 86 9.782 -2.243 12.917 1.00 0.00 C ATOM 1323 C GLU A 86 10.050 -1.188 11.848 1.00 0.00 C ATOM 1324 O GLU A 86 9.255 -1.009 10.925 1.00 0.00 O ATOM 1325 CB GLU A 86 10.959 -3.217 12.995 1.00 0.00 C ATOM 1326 CG GLU A 86 10.988 -4.036 14.274 1.00 0.00 C ATOM 1327 CD GLU A 86 11.861 -5.271 14.157 1.00 0.00 C ATOM 1328 OE1 GLU A 86 11.485 -6.195 13.406 1.00 0.00 O ATOM 1329 OE2 GLU A 86 12.921 -5.312 14.816 1.00 0.00 O ATOM 0 H GLU A 86 8.667 -3.962 12.468 1.00 0.00 H new ATOM 0 HA GLU A 86 9.671 -1.740 13.878 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.917 -3.893 12.141 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.890 -2.656 12.912 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.353 -3.414 15.091 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.972 -4.337 14.531 1.00 0.00 H new ATOM 1336 N ASP A 87 11.173 -0.492 11.980 1.00 0.00 N ATOM 1337 CA ASP A 87 11.547 0.545 11.026 1.00 0.00 C ATOM 1338 C ASP A 87 12.150 -0.068 9.766 1.00 0.00 C ATOM 1339 O ASP A 87 12.568 -1.225 9.766 1.00 0.00 O ATOM 1340 CB ASP A 87 12.542 1.518 11.661 1.00 0.00 C ATOM 1341 CG ASP A 87 12.221 1.807 13.114 1.00 0.00 C ATOM 1342 OD1 ASP A 87 12.542 0.959 13.973 1.00 0.00 O ATOM 1343 OD2 ASP A 87 11.650 2.882 13.393 1.00 0.00 O ATOM 0 H ASP A 87 11.841 -0.627 12.739 1.00 0.00 H new ATOM 0 HA ASP A 87 10.645 1.090 10.748 1.00 0.00 H new ATOM 0 HB2 ASP A 87 13.547 1.103 11.589 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.542 2.452 11.099 1.00 0.00 H new ATOM 1348 N GLU A 88 12.190 0.716 8.693 1.00 0.00 N ATOM 1349 CA GLU A 88 12.741 0.249 7.426 1.00 0.00 C ATOM 1350 C GLU A 88 12.409 -1.223 7.199 1.00 0.00 C ATOM 1351 O GLU A 88 13.229 -1.983 6.684 1.00 0.00 O ATOM 1352 CB GLU A 88 14.257 0.452 7.397 1.00 0.00 C ATOM 1353 CG GLU A 88 14.986 -0.247 8.532 1.00 0.00 C ATOM 1354 CD GLU A 88 16.432 0.191 8.654 1.00 0.00 C ATOM 1355 OE1 GLU A 88 16.670 1.392 8.900 1.00 0.00 O ATOM 1356 OE2 GLU A 88 17.327 -0.667 8.504 1.00 0.00 O ATOM 0 H GLU A 88 11.848 1.677 8.676 1.00 0.00 H new ATOM 0 HA GLU A 88 12.289 0.834 6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.646 0.086 6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.473 1.519 7.440 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.469 -0.045 9.470 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.949 -1.325 8.373 1.00 0.00 H new ATOM 1363 N ASP A 89 11.201 -1.618 7.587 1.00 0.00 N ATOM 1364 CA ASP A 89 10.760 -2.998 7.426 1.00 0.00 C ATOM 1365 C ASP A 89 10.488 -3.314 5.959 1.00 0.00 C ATOM 1366 O ASP A 89 10.717 -2.482 5.080 1.00 0.00 O ATOM 1367 CB ASP A 89 9.501 -3.254 8.257 1.00 0.00 C ATOM 1368 CG ASP A 89 9.333 -4.717 8.618 1.00 0.00 C ATOM 1369 OD1 ASP A 89 8.723 -5.458 7.819 1.00 0.00 O ATOM 1370 OD2 ASP A 89 9.810 -5.120 9.700 1.00 0.00 O ATOM 0 H ASP A 89 10.510 -1.002 8.015 1.00 0.00 H new ATOM 0 HA ASP A 89 11.558 -3.652 7.778 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.545 -2.660 9.170 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.627 -2.918 7.700 1.00 0.00 H new ATOM 1375 N THR A 90 10.000 -4.524 5.699 1.00 0.00 N ATOM 1376 CA THR A 90 9.700 -4.951 4.339 1.00 0.00 C ATOM 1377 C THR A 90 8.323 -5.600 4.257 1.00 0.00 C ATOM 1378 O THR A 90 8.012 -6.515 5.020 1.00 0.00 O ATOM 1379 CB THR A 90 10.754 -5.944 3.816 1.00 0.00 C ATOM 1380 OG1 THR A 90 12.051 -5.338 3.837 1.00 0.00 O ATOM 1381 CG2 THR A 90 10.421 -6.392 2.401 1.00 0.00 C ATOM 0 H THR A 90 9.804 -5.225 6.414 1.00 0.00 H new ATOM 0 HA THR A 90 9.715 -4.056 3.717 1.00 0.00 H new ATOM 0 HB THR A 90 10.751 -6.818 4.467 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.716 -5.977 3.504 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.180 -7.093 2.053 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.446 -6.879 2.394 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.398 -5.525 1.741 1.00 0.00 H new ATOM 1389 N ILE A 91 7.502 -5.121 3.328 1.00 0.00 N ATOM 1390 CA ILE A 91 6.159 -5.657 3.147 1.00 0.00 C ATOM 1391 C ILE A 91 6.118 -6.662 2.001 1.00 0.00 C ATOM 1392 O ILE A 91 6.955 -6.625 1.099 1.00 0.00 O ATOM 1393 CB ILE A 91 5.139 -4.537 2.869 1.00 0.00 C ATOM 1394 CG1 ILE A 91 5.310 -3.399 3.878 1.00 0.00 C ATOM 1395 CG2 ILE A 91 3.721 -5.087 2.918 1.00 0.00 C ATOM 1396 CD1 ILE A 91 4.117 -2.472 3.951 1.00 0.00 C ATOM 0 H ILE A 91 7.744 -4.363 2.690 1.00 0.00 H new ATOM 0 HA ILE A 91 5.891 -6.159 4.077 1.00 0.00 H new ATOM 0 HB ILE A 91 5.320 -4.141 1.870 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.491 -3.824 4.865 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.195 -2.820 3.613 1.00 0.00 H new ATOM 0 HG21 ILE A 91 3.012 -4.283 2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.607 -5.866 2.164 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.527 -5.506 3.905 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.308 -1.690 4.686 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.948 -2.019 2.974 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.234 -3.038 4.246 1.00 0.00 H new ATOM 1408 N ASP A 92 5.138 -7.558 2.043 1.00 0.00 N ATOM 1409 CA ASP A 92 4.986 -8.573 1.007 1.00 0.00 C ATOM 1410 C ASP A 92 3.715 -8.335 0.196 1.00 0.00 C ATOM 1411 O ASP A 92 2.614 -8.302 0.745 1.00 0.00 O ATOM 1412 CB ASP A 92 4.954 -9.969 1.630 1.00 0.00 C ATOM 1413 CG ASP A 92 6.307 -10.395 2.166 1.00 0.00 C ATOM 1414 OD1 ASP A 92 7.226 -10.614 1.349 1.00 0.00 O ATOM 1415 OD2 ASP A 92 6.447 -10.510 3.401 1.00 0.00 O ATOM 0 H ASP A 92 4.437 -7.602 2.783 1.00 0.00 H new ATOM 0 HA ASP A 92 5.843 -8.503 0.337 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.224 -9.986 2.439 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.619 -10.689 0.884 1.00 0.00 H new ATOM 1420 N VAL A 93 3.876 -8.170 -1.113 1.00 0.00 N ATOM 1421 CA VAL A 93 2.742 -7.935 -1.999 1.00 0.00 C ATOM 1422 C VAL A 93 2.953 -8.608 -3.351 1.00 0.00 C ATOM 1423 O VAL A 93 4.085 -8.769 -3.806 1.00 0.00 O ATOM 1424 CB VAL A 93 2.504 -6.430 -2.219 1.00 0.00 C ATOM 1425 CG1 VAL A 93 1.349 -6.207 -3.183 1.00 0.00 C ATOM 1426 CG2 VAL A 93 2.244 -5.732 -0.892 1.00 0.00 C ATOM 0 H VAL A 93 4.781 -8.195 -1.583 1.00 0.00 H new ATOM 0 HA VAL A 93 1.866 -8.366 -1.514 1.00 0.00 H new ATOM 0 HB VAL A 93 3.403 -5.999 -2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.196 -5.137 -3.326 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.580 -6.672 -4.141 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.442 -6.652 -2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.078 -4.669 -1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.362 -6.164 -0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.106 -5.862 -0.238 1.00 0.00 H new ATOM 1436 N PHE A 94 1.855 -9.000 -3.988 1.00 0.00 N ATOM 1437 CA PHE A 94 1.918 -9.656 -5.289 1.00 0.00 C ATOM 1438 C PHE A 94 1.317 -8.770 -6.375 1.00 0.00 C ATOM 1439 O PHE A 94 0.105 -8.563 -6.421 1.00 0.00 O ATOM 1440 CB PHE A 94 1.183 -10.997 -5.243 1.00 0.00 C ATOM 1441 CG PHE A 94 1.658 -11.904 -4.144 1.00 0.00 C ATOM 1442 CD1 PHE A 94 1.348 -11.633 -2.821 1.00 0.00 C ATOM 1443 CD2 PHE A 94 2.413 -13.029 -4.435 1.00 0.00 C ATOM 1444 CE1 PHE A 94 1.784 -12.466 -1.809 1.00 0.00 C ATOM 1445 CE2 PHE A 94 2.852 -13.866 -3.426 1.00 0.00 C ATOM 1446 CZ PHE A 94 2.536 -13.584 -2.111 1.00 0.00 C ATOM 0 H PHE A 94 0.910 -8.875 -3.624 1.00 0.00 H new ATOM 0 HA PHE A 94 2.967 -9.832 -5.529 1.00 0.00 H new ATOM 0 HB2 PHE A 94 0.116 -10.813 -5.116 1.00 0.00 H new ATOM 0 HB3 PHE A 94 1.307 -11.503 -6.200 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.759 -10.761 -2.578 1.00 0.00 H new ATOM 0 HD2 PHE A 94 2.661 -13.254 -5.462 1.00 0.00 H new ATOM 0 HE1 PHE A 94 1.537 -12.243 -0.782 1.00 0.00 H new ATOM 0 HE2 PHE A 94 3.441 -14.739 -3.665 1.00 0.00 H new ATOM 0 HZ PHE A 94 2.876 -14.237 -1.321 1.00 0.00 H new ATOM 1456 N GLN A 95 2.174 -8.248 -7.247 1.00 0.00 N ATOM 1457 CA GLN A 95 1.728 -7.383 -8.333 1.00 0.00 C ATOM 1458 C GLN A 95 1.486 -8.188 -9.605 1.00 0.00 C ATOM 1459 O GLN A 95 2.430 -8.625 -10.262 1.00 0.00 O ATOM 1460 CB GLN A 95 2.761 -6.287 -8.597 1.00 0.00 C ATOM 1461 CG GLN A 95 2.575 -5.053 -7.728 1.00 0.00 C ATOM 1462 CD GLN A 95 3.179 -3.808 -8.345 1.00 0.00 C ATOM 1463 OE1 GLN A 95 3.354 -3.726 -9.562 1.00 0.00 O ATOM 1464 NE2 GLN A 95 3.502 -2.828 -7.509 1.00 0.00 N ATOM 0 H GLN A 95 3.181 -8.409 -7.223 1.00 0.00 H new ATOM 0 HA GLN A 95 0.788 -6.921 -8.033 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.759 -6.692 -8.429 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.708 -5.994 -9.646 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.511 -4.890 -7.558 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.030 -5.228 -6.753 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.340 -2.938 -6.508 1.00 0.00 H new ATOM 0 HE22 GLN A 95 3.912 -1.966 -7.868 1.00 0.00 H new