USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 679 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 96 SER OG : rot -107:sc= -0.304 USER MOD Set 1.2: A 120 THR OG1 : rot -163:sc= 0.958 USER MOD Set 2.1: A 86 GLN : amide:sc= -4.16 K(o=-4.2,f=-7.9!) USER MOD Set 2.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 65 HIS : no HD1:sc= -1.37 K(o=-1.1,f=-0.31) USER MOD Set 3.2: A 87 TYR OH : rot 124:sc= 0.3 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.241 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0388 USER MOD Single : A 43 SER OG : rot 42:sc= 0.256 USER MOD Single : A 49 GLN : amide:sc= -0.0053 X(o=-0.0053,f=0) USER MOD Single : A 55 ASN : amide:sc= -1.27 X(o=-1.3,f=-1.3) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -3.73! K(o=-3.7!,f=-2.5) USER MOD Single : A 64 THR OG1 : rot 21:sc= -1.47 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0.962 USER MOD Single : A 103 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 105 GLN : amide:sc= -3.15! C(o=-3.1!,f=-5.5!) USER MOD Single : A 106 THR OG1 : rot 120:sc= -1.26 USER MOD Single : A 108 LYS NZ :NH3+ -178:sc= 0.485 (180deg=0.482) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 350 N VAL A 27 14.034 9.262 -1.981 1.00 0.00 N ATOM 351 CA VAL A 27 12.990 8.258 -2.090 1.00 0.00 C ATOM 352 C VAL A 27 12.943 7.731 -3.526 1.00 0.00 C ATOM 353 O VAL A 27 13.420 8.390 -4.448 1.00 0.00 O ATOM 354 CB VAL A 27 11.654 8.838 -1.622 1.00 0.00 C ATOM 355 CG1 VAL A 27 11.635 9.016 -0.103 1.00 0.00 C ATOM 356 CG2 VAL A 27 11.351 10.159 -2.333 1.00 0.00 C ATOM 0 HA VAL A 27 13.206 7.411 -1.439 1.00 0.00 H new ATOM 0 HB VAL A 27 10.870 8.128 -1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.674 9.430 0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.784 8.049 0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.434 9.696 0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.396 10.550 -1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.140 10.879 -2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.301 9.990 -3.409 1.00 0.00 H new ATOM 366 N PRO A 28 12.348 6.517 -3.673 1.00 0.00 N ATOM 367 CA PRO A 28 12.233 5.894 -4.981 1.00 0.00 C ATOM 368 C PRO A 28 11.142 6.569 -5.815 1.00 0.00 C ATOM 369 O PRO A 28 10.310 7.300 -5.281 1.00 0.00 O ATOM 370 CB PRO A 28 11.941 4.430 -4.695 1.00 0.00 C ATOM 371 CG PRO A 28 11.445 4.376 -3.259 1.00 0.00 C ATOM 372 CD PRO A 28 11.772 5.708 -2.603 1.00 0.00 C ATOM 0 HA PRO A 28 13.140 5.997 -5.577 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.190 4.040 -5.382 1.00 0.00 H new ATOM 0 HB3 PRO A 28 12.836 3.821 -4.822 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.371 4.191 -3.233 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.923 3.558 -2.720 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.878 6.176 -2.190 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.475 5.582 -1.780 1.00 0.00 H new ATOM 380 N GLY A 29 11.181 6.299 -7.112 1.00 0.00 N ATOM 381 CA GLY A 29 10.206 6.871 -8.025 1.00 0.00 C ATOM 382 C GLY A 29 8.892 6.088 -7.985 1.00 0.00 C ATOM 383 O GLY A 29 8.689 5.255 -7.104 1.00 0.00 O ATOM 0 H GLY A 29 11.872 5.692 -7.552 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.021 7.912 -7.760 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.606 6.866 -9.039 1.00 0.00 H new ATOM 387 N PRO A 30 8.012 6.393 -8.976 1.00 0.00 N ATOM 388 CA PRO A 30 6.723 5.727 -9.062 1.00 0.00 C ATOM 389 C PRO A 30 6.877 4.300 -9.590 1.00 0.00 C ATOM 390 O PRO A 30 7.643 4.058 -10.522 1.00 0.00 O ATOM 391 CB PRO A 30 5.884 6.610 -9.972 1.00 0.00 C ATOM 392 CG PRO A 30 6.871 7.483 -10.731 1.00 0.00 C ATOM 393 CD PRO A 30 8.219 7.374 -10.036 1.00 0.00 C ATOM 0 HA PRO A 30 6.244 5.611 -8.090 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.287 6.009 -10.658 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.189 7.218 -9.393 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.949 7.158 -11.769 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.532 8.519 -10.746 1.00 0.00 H new ATOM 0 HD2 PRO A 30 8.996 7.051 -10.728 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.534 8.335 -9.630 1.00 0.00 H new ATOM 401 N PRO A 31 6.118 3.367 -8.955 1.00 0.00 N ATOM 402 CA PRO A 31 6.163 1.969 -9.352 1.00 0.00 C ATOM 403 C PRO A 31 5.404 1.746 -10.661 1.00 0.00 C ATOM 404 O PRO A 31 4.176 1.808 -10.690 1.00 0.00 O ATOM 405 CB PRO A 31 5.562 1.209 -8.180 1.00 0.00 C ATOM 406 CG PRO A 31 4.782 2.234 -7.374 1.00 0.00 C ATOM 407 CD PRO A 31 5.200 3.617 -7.848 1.00 0.00 C ATOM 0 HA PRO A 31 7.176 1.622 -9.558 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.910 0.407 -8.527 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.341 0.746 -7.574 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.710 2.092 -7.511 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.986 2.118 -6.310 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.339 4.202 -8.172 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.685 4.179 -7.050 1.00 0.00 H new ATOM 415 N MET A 32 6.167 1.491 -11.714 1.00 0.00 N ATOM 416 CA MET A 32 5.583 1.259 -13.024 1.00 0.00 C ATOM 417 C MET A 32 5.259 -0.223 -13.224 1.00 0.00 C ATOM 418 O MET A 32 5.789 -1.079 -12.517 1.00 0.00 O ATOM 419 CB MET A 32 6.558 1.720 -14.108 1.00 0.00 C ATOM 420 CG MET A 32 7.899 0.992 -13.985 1.00 0.00 C ATOM 421 SD MET A 32 8.779 1.068 -15.536 1.00 0.00 S ATOM 422 CE MET A 32 10.443 0.772 -14.962 1.00 0.00 C ATOM 0 H MET A 32 7.185 1.440 -11.686 1.00 0.00 H new ATOM 0 HA MET A 32 4.656 1.827 -13.093 1.00 0.00 H new ATOM 0 HB2 MET A 32 6.128 1.534 -15.092 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.715 2.796 -14.027 1.00 0.00 H new ATOM 0 HG2 MET A 32 8.498 1.446 -13.195 1.00 0.00 H new ATOM 0 HG3 MET A 32 7.733 -0.047 -13.702 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.128 0.786 -15.810 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.727 1.550 -14.253 1.00 0.00 H new ATOM 0 HE3 MET A 32 10.491 -0.201 -14.472 1.00 0.00 H new ATOM 432 N GLY A 33 4.392 -0.481 -14.192 1.00 0.00 N ATOM 433 CA GLY A 33 3.992 -1.845 -14.495 1.00 0.00 C ATOM 434 C GLY A 33 2.780 -2.259 -13.657 1.00 0.00 C ATOM 435 O GLY A 33 2.732 -3.373 -13.137 1.00 0.00 O ATOM 0 H GLY A 33 3.955 0.231 -14.777 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.752 -1.931 -15.555 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.823 -2.523 -14.300 1.00 0.00 H new ATOM 439 N ILE A 34 1.831 -1.341 -13.553 1.00 0.00 N ATOM 440 CA ILE A 34 0.622 -1.597 -12.788 1.00 0.00 C ATOM 441 C ILE A 34 -0.426 -2.239 -13.699 1.00 0.00 C ATOM 442 O ILE A 34 -1.129 -1.541 -14.429 1.00 0.00 O ATOM 443 CB ILE A 34 0.141 -0.317 -12.102 1.00 0.00 C ATOM 444 CG1 ILE A 34 1.324 0.516 -11.604 1.00 0.00 C ATOM 445 CG2 ILE A 34 -0.849 -0.636 -10.980 1.00 0.00 C ATOM 446 CD1 ILE A 34 2.177 -0.281 -10.614 1.00 0.00 C ATOM 0 H ILE A 34 1.874 -0.418 -13.986 1.00 0.00 H new ATOM 0 HA ILE A 34 0.822 -2.305 -11.984 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.390 0.287 -12.838 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.937 0.826 -12.450 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.958 1.424 -11.125 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.176 0.291 -10.509 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.713 -1.157 -11.394 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.365 -1.270 -10.237 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.011 0.334 -10.275 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.567 -0.569 -9.758 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.561 -1.176 -11.103 1.00 0.00 H new ATOM 458 N LEU A 35 -0.499 -3.559 -13.626 1.00 0.00 N ATOM 459 CA LEU A 35 -1.450 -4.303 -14.435 1.00 0.00 C ATOM 460 C LEU A 35 -2.372 -5.109 -13.518 1.00 0.00 C ATOM 461 O LEU A 35 -1.977 -5.497 -12.420 1.00 0.00 O ATOM 462 CB LEU A 35 -0.719 -5.154 -15.475 1.00 0.00 C ATOM 463 CG LEU A 35 0.077 -4.385 -16.532 1.00 0.00 C ATOM 464 CD1 LEU A 35 -0.775 -3.284 -17.166 1.00 0.00 C ATOM 465 CD2 LEU A 35 1.379 -3.836 -15.946 1.00 0.00 C ATOM 0 H LEU A 35 0.085 -4.134 -13.019 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.082 -3.621 -15.004 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.037 -5.825 -14.952 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.453 -5.779 -15.985 1.00 0.00 H new ATOM 0 HG LEU A 35 0.349 -5.080 -17.327 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.186 -2.753 -17.913 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.649 -3.729 -17.642 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.098 -2.585 -16.395 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.925 -3.294 -16.718 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.151 -3.161 -15.121 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.990 -4.661 -15.581 1.00 0.00 H new ATOM 477 N PHE A 36 -3.584 -5.337 -14.003 1.00 0.00 N ATOM 478 CA PHE A 36 -4.565 -6.091 -13.241 1.00 0.00 C ATOM 479 C PHE A 36 -4.918 -7.402 -13.947 1.00 0.00 C ATOM 480 O PHE A 36 -5.821 -7.439 -14.781 1.00 0.00 O ATOM 481 CB PHE A 36 -5.821 -5.222 -13.147 1.00 0.00 C ATOM 482 CG PHE A 36 -5.699 -4.056 -12.164 1.00 0.00 C ATOM 483 CD1 PHE A 36 -5.969 -4.248 -10.845 1.00 0.00 C ATOM 484 CD2 PHE A 36 -5.320 -2.828 -12.609 1.00 0.00 C ATOM 485 CE1 PHE A 36 -5.856 -3.166 -9.933 1.00 0.00 C ATOM 486 CE2 PHE A 36 -5.207 -1.746 -11.697 1.00 0.00 C ATOM 487 CZ PHE A 36 -5.477 -1.937 -10.378 1.00 0.00 C ATOM 0 H PHE A 36 -3.909 -5.013 -14.914 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.164 -6.336 -12.257 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.052 -4.827 -14.136 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.662 -5.848 -12.849 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.269 -5.223 -10.491 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.105 -2.676 -13.656 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.071 -3.318 -8.886 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.907 -0.771 -12.051 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.391 -1.114 -9.684 1.00 0.00 H new ATOM 497 N PRO A 37 -4.168 -8.474 -13.575 1.00 0.00 N ATOM 498 CA PRO A 37 -4.393 -9.784 -14.162 1.00 0.00 C ATOM 499 C PRO A 37 -5.659 -10.429 -13.596 1.00 0.00 C ATOM 500 O PRO A 37 -6.513 -10.895 -14.349 1.00 0.00 O ATOM 501 CB PRO A 37 -3.133 -10.575 -13.852 1.00 0.00 C ATOM 502 CG PRO A 37 -2.449 -9.840 -12.710 1.00 0.00 C ATOM 503 CD PRO A 37 -3.091 -8.468 -12.589 1.00 0.00 C ATOM 0 HA PRO A 37 -4.565 -9.739 -15.237 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.375 -11.599 -13.568 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.483 -10.632 -14.725 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.558 -10.396 -11.779 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.380 -9.746 -12.902 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.476 -8.298 -11.583 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.372 -7.675 -12.793 1.00 0.00 H new ATOM 511 N GLU A 38 -5.740 -10.436 -12.273 1.00 0.00 N ATOM 512 CA GLU A 38 -6.888 -11.017 -11.597 1.00 0.00 C ATOM 513 C GLU A 38 -7.680 -9.930 -10.867 1.00 0.00 C ATOM 514 O GLU A 38 -7.168 -9.298 -9.944 1.00 0.00 O ATOM 515 CB GLU A 38 -6.454 -12.121 -10.631 1.00 0.00 C ATOM 516 CG GLU A 38 -7.622 -12.569 -9.751 1.00 0.00 C ATOM 517 CD GLU A 38 -7.148 -13.528 -8.657 1.00 0.00 C ATOM 518 OE1 GLU A 38 -6.579 -13.022 -7.666 1.00 0.00 O ATOM 519 OE2 GLU A 38 -7.365 -14.746 -8.836 1.00 0.00 O ATOM 0 H GLU A 38 -5.030 -10.049 -11.652 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.536 -11.470 -12.347 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.071 -12.972 -11.194 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.639 -11.761 -10.004 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.094 -11.698 -9.297 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.378 -13.058 -10.365 1.00 0.00 H new ATOM 526 N VAL A 39 -8.915 -9.746 -11.308 1.00 0.00 N ATOM 527 CA VAL A 39 -9.783 -8.746 -10.709 1.00 0.00 C ATOM 528 C VAL A 39 -11.204 -9.305 -10.607 1.00 0.00 C ATOM 529 O VAL A 39 -11.886 -9.463 -11.618 1.00 0.00 O ATOM 530 CB VAL A 39 -9.709 -7.443 -11.506 1.00 0.00 C ATOM 531 CG1 VAL A 39 -10.773 -6.450 -11.034 1.00 0.00 C ATOM 532 CG2 VAL A 39 -8.310 -6.828 -11.423 1.00 0.00 C ATOM 0 H VAL A 39 -9.336 -10.273 -12.073 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.453 -8.511 -9.697 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.910 -7.678 -12.551 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -10.698 -5.532 -11.617 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.763 -6.886 -11.169 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.617 -6.223 -9.979 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.285 -5.903 -11.998 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.067 -6.615 -10.382 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.580 -7.528 -11.830 1.00 0.00 H new ATOM 542 N ARG A 40 -11.607 -9.589 -9.377 1.00 0.00 N ATOM 543 CA ARG A 40 -12.934 -10.127 -9.131 1.00 0.00 C ATOM 544 C ARG A 40 -13.883 -9.014 -8.681 1.00 0.00 C ATOM 545 O ARG A 40 -13.549 -7.833 -8.774 1.00 0.00 O ATOM 546 CB ARG A 40 -12.896 -11.218 -8.060 1.00 0.00 C ATOM 547 CG ARG A 40 -11.560 -11.964 -8.084 1.00 0.00 C ATOM 548 CD ARG A 40 -11.612 -13.211 -7.200 1.00 0.00 C ATOM 549 NE ARG A 40 -12.070 -14.375 -7.991 1.00 0.00 N ATOM 550 CZ ARG A 40 -12.216 -15.611 -7.495 1.00 0.00 C ATOM 551 NH1 ARG A 40 -11.940 -15.852 -6.206 1.00 0.00 N ATOM 552 NH2 ARG A 40 -12.637 -16.606 -8.287 1.00 0.00 N ATOM 0 H ARG A 40 -11.038 -9.457 -8.541 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.294 -10.561 -10.064 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -13.050 -10.773 -7.077 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.712 -11.922 -8.223 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.317 -12.249 -9.108 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.764 -11.303 -7.740 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.626 -13.411 -6.781 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.287 -13.044 -6.360 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.288 -14.227 -8.976 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.619 -15.095 -5.603 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.051 -16.793 -5.828 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.847 -16.423 -9.268 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.748 -17.547 -7.909 1.00 0.00 H new ATOM 566 N THR A 41 -15.047 -9.429 -8.204 1.00 0.00 N ATOM 567 CA THR A 41 -16.046 -8.482 -7.740 1.00 0.00 C ATOM 568 C THR A 41 -15.641 -7.901 -6.383 1.00 0.00 C ATOM 569 O THR A 41 -15.176 -6.765 -6.305 1.00 0.00 O ATOM 570 CB THR A 41 -17.399 -9.196 -7.715 1.00 0.00 C ATOM 571 OG1 THR A 41 -17.061 -10.578 -7.643 1.00 0.00 O ATOM 572 CG2 THR A 41 -18.154 -9.066 -9.040 1.00 0.00 C ATOM 0 H THR A 41 -15.321 -10.409 -8.129 1.00 0.00 H new ATOM 0 HA THR A 41 -16.125 -7.629 -8.414 1.00 0.00 H new ATOM 0 HB THR A 41 -18.009 -8.790 -6.908 1.00 0.00 H new ATOM 0 HG1 THR A 41 -17.881 -11.115 -7.621 1.00 0.00 H new ATOM 0 HG21 THR A 41 -19.107 -9.590 -8.969 1.00 0.00 H new ATOM 0 HG22 THR A 41 -18.334 -8.013 -9.254 1.00 0.00 H new ATOM 0 HG23 THR A 41 -17.559 -9.503 -9.842 1.00 0.00 H new ATOM 580 N THR A 42 -15.833 -8.707 -5.350 1.00 0.00 N ATOM 581 CA THR A 42 -15.494 -8.287 -4.001 1.00 0.00 C ATOM 582 C THR A 42 -14.044 -8.653 -3.677 1.00 0.00 C ATOM 583 O THR A 42 -13.689 -8.830 -2.513 1.00 0.00 O ATOM 584 CB THR A 42 -16.507 -8.915 -3.041 1.00 0.00 C ATOM 585 OG1 THR A 42 -16.452 -10.307 -3.340 1.00 0.00 O ATOM 586 CG2 THR A 42 -17.948 -8.520 -3.371 1.00 0.00 C ATOM 0 H THR A 42 -16.219 -9.649 -5.420 1.00 0.00 H new ATOM 0 HA THR A 42 -15.554 -7.204 -3.898 1.00 0.00 H new ATOM 0 HB THR A 42 -16.273 -8.616 -2.019 1.00 0.00 H new ATOM 0 HG1 THR A 42 -17.078 -10.791 -2.761 1.00 0.00 H new ATOM 0 HG21 THR A 42 -18.626 -8.992 -2.660 1.00 0.00 H new ATOM 0 HG22 THR A 42 -18.052 -7.437 -3.307 1.00 0.00 H new ATOM 0 HG23 THR A 42 -18.193 -8.849 -4.381 1.00 0.00 H new ATOM 594 N SER A 43 -13.244 -8.755 -4.729 1.00 0.00 N ATOM 595 CA SER A 43 -11.841 -9.097 -4.572 1.00 0.00 C ATOM 596 C SER A 43 -11.096 -8.868 -5.888 1.00 0.00 C ATOM 597 O SER A 43 -11.668 -9.028 -6.965 1.00 0.00 O ATOM 598 CB SER A 43 -11.675 -10.547 -4.112 1.00 0.00 C ATOM 599 OG SER A 43 -11.732 -10.667 -2.694 1.00 0.00 O ATOM 0 H SER A 43 -13.541 -8.607 -5.693 1.00 0.00 H new ATOM 0 HA SER A 43 -11.415 -8.451 -3.804 1.00 0.00 H new ATOM 0 HB2 SER A 43 -12.457 -11.161 -4.559 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.721 -10.934 -4.471 1.00 0.00 H new ATOM 0 HG SER A 43 -12.447 -10.095 -2.346 1.00 0.00 H new ATOM 605 N VAL A 44 -9.830 -8.498 -5.759 1.00 0.00 N ATOM 606 CA VAL A 44 -9.001 -8.246 -6.925 1.00 0.00 C ATOM 607 C VAL A 44 -7.543 -8.561 -6.587 1.00 0.00 C ATOM 608 O VAL A 44 -7.214 -8.826 -5.432 1.00 0.00 O ATOM 609 CB VAL A 44 -9.205 -6.810 -7.412 1.00 0.00 C ATOM 610 CG1 VAL A 44 -10.683 -6.416 -7.356 1.00 0.00 C ATOM 611 CG2 VAL A 44 -8.347 -5.831 -6.608 1.00 0.00 C ATOM 0 H VAL A 44 -9.358 -8.367 -4.864 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.292 -8.899 -7.748 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.884 -6.761 -8.453 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.800 -5.391 -7.707 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.262 -7.086 -7.991 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.041 -6.490 -6.329 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.511 -4.818 -6.975 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.623 -5.885 -5.555 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.295 -6.092 -6.721 1.00 0.00 H new ATOM 621 N ARG A 45 -6.708 -8.521 -7.615 1.00 0.00 N ATOM 622 CA ARG A 45 -5.293 -8.799 -7.441 1.00 0.00 C ATOM 623 C ARG A 45 -4.486 -8.185 -8.587 1.00 0.00 C ATOM 624 O ARG A 45 -4.532 -8.674 -9.715 1.00 0.00 O ATOM 625 CB ARG A 45 -5.029 -10.306 -7.392 1.00 0.00 C ATOM 626 CG ARG A 45 -3.537 -10.596 -7.220 1.00 0.00 C ATOM 627 CD ARG A 45 -3.153 -11.911 -7.900 1.00 0.00 C ATOM 628 NE ARG A 45 -3.251 -13.029 -6.935 1.00 0.00 N ATOM 629 CZ ARG A 45 -2.761 -14.256 -7.153 1.00 0.00 C ATOM 630 NH1 ARG A 45 -2.134 -14.532 -8.305 1.00 0.00 N ATOM 631 NH2 ARG A 45 -2.897 -15.208 -6.220 1.00 0.00 N ATOM 0 H ARG A 45 -6.985 -8.300 -8.572 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.983 -8.356 -6.495 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.587 -10.750 -6.567 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.390 -10.772 -8.309 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.953 -9.779 -7.644 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.292 -10.646 -6.159 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.810 -12.095 -8.750 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.137 -11.845 -8.290 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.722 -12.854 -6.047 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.030 -13.807 -9.015 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.761 -15.467 -8.471 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.374 -14.998 -5.343 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.524 -16.142 -6.387 1.00 0.00 H new ATOM 645 N LEU A 46 -3.767 -7.122 -8.258 1.00 0.00 N ATOM 646 CA LEU A 46 -2.952 -6.435 -9.246 1.00 0.00 C ATOM 647 C LEU A 46 -1.476 -6.735 -8.979 1.00 0.00 C ATOM 648 O LEU A 46 -1.130 -7.298 -7.941 1.00 0.00 O ATOM 649 CB LEU A 46 -3.282 -4.941 -9.269 1.00 0.00 C ATOM 650 CG LEU A 46 -2.441 -4.055 -8.348 1.00 0.00 C ATOM 651 CD1 LEU A 46 -2.376 -2.621 -8.878 1.00 0.00 C ATOM 652 CD2 LEU A 46 -2.959 -4.111 -6.909 1.00 0.00 C ATOM 0 H LEU A 46 -3.732 -6.720 -7.321 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.177 -6.802 -10.247 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.169 -4.580 -10.291 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.331 -4.817 -9.001 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.422 -4.442 -8.338 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.772 -2.012 -8.205 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.926 -2.620 -9.871 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.383 -2.208 -8.936 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.343 -3.472 -6.276 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.992 -3.763 -6.880 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.911 -5.137 -6.545 1.00 0.00 H new ATOM 664 N ILE A 47 -0.644 -6.345 -9.934 1.00 0.00 N ATOM 665 CA ILE A 47 0.788 -6.564 -9.815 1.00 0.00 C ATOM 666 C ILE A 47 1.532 -5.314 -10.288 1.00 0.00 C ATOM 667 O ILE A 47 1.069 -4.616 -11.189 1.00 0.00 O ATOM 668 CB ILE A 47 1.197 -7.840 -10.553 1.00 0.00 C ATOM 669 CG1 ILE A 47 1.357 -7.579 -12.052 1.00 0.00 C ATOM 670 CG2 ILE A 47 0.213 -8.977 -10.271 1.00 0.00 C ATOM 671 CD1 ILE A 47 0.017 -7.204 -12.689 1.00 0.00 C ATOM 0 H ILE A 47 -0.934 -5.879 -10.794 1.00 0.00 H new ATOM 0 HA ILE A 47 1.064 -6.724 -8.773 1.00 0.00 H new ATOM 0 HB ILE A 47 2.170 -8.156 -10.175 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.076 -6.776 -12.210 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.759 -8.468 -12.539 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.528 -9.872 -10.808 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.193 -9.184 -9.201 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.784 -8.686 -10.603 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.159 -7.024 -13.755 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.693 -8.019 -12.550 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.370 -6.301 -12.217 1.00 0.00 H new ATOM 683 N TRP A 48 2.673 -5.071 -9.660 1.00 0.00 N ATOM 684 CA TRP A 48 3.486 -3.917 -10.006 1.00 0.00 C ATOM 685 C TRP A 48 4.949 -4.364 -10.043 1.00 0.00 C ATOM 686 O TRP A 48 5.258 -5.516 -9.742 1.00 0.00 O ATOM 687 CB TRP A 48 3.238 -2.761 -9.035 1.00 0.00 C ATOM 688 CG TRP A 48 3.711 -3.035 -7.606 1.00 0.00 C ATOM 689 CD1 TRP A 48 4.853 -2.644 -7.026 1.00 0.00 C ATOM 690 CD2 TRP A 48 3.002 -3.782 -6.595 1.00 0.00 C ATOM 691 NE1 TRP A 48 4.933 -3.082 -5.720 1.00 0.00 N ATOM 692 CE2 TRP A 48 3.771 -3.796 -5.449 1.00 0.00 C ATOM 693 CE3 TRP A 48 1.753 -4.425 -6.646 1.00 0.00 C ATOM 694 CZ2 TRP A 48 3.378 -4.438 -4.269 1.00 0.00 C ATOM 695 CZ3 TRP A 48 1.374 -5.062 -5.459 1.00 0.00 C ATOM 696 CH2 TRP A 48 2.136 -5.085 -4.297 1.00 0.00 C ATOM 0 H TRP A 48 3.054 -5.653 -8.914 1.00 0.00 H new ATOM 0 HA TRP A 48 3.214 -3.534 -10.990 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.744 -1.871 -9.410 1.00 0.00 H new ATOM 0 HB3 TRP A 48 2.171 -2.538 -9.017 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.616 -2.059 -7.519 1.00 0.00 H new ATOM 0 HE1 TRP A 48 5.703 -2.913 -5.073 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.135 -4.427 -7.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 3.999 -4.435 -3.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.422 -5.572 -5.445 1.00 0.00 H new ATOM 0 HH2 TRP A 48 1.772 -5.599 -3.420 1.00 0.00 H new ATOM 707 N GLN A 49 5.811 -3.428 -10.414 1.00 0.00 N ATOM 708 CA GLN A 49 7.234 -3.711 -10.494 1.00 0.00 C ATOM 709 C GLN A 49 8.033 -2.618 -9.782 1.00 0.00 C ATOM 710 O GLN A 49 7.516 -1.531 -9.528 1.00 0.00 O ATOM 711 CB GLN A 49 7.683 -3.858 -11.949 1.00 0.00 C ATOM 712 CG GLN A 49 7.565 -5.311 -12.415 1.00 0.00 C ATOM 713 CD GLN A 49 7.739 -5.416 -13.931 1.00 0.00 C ATOM 714 OE1 GLN A 49 8.800 -5.170 -14.479 1.00 0.00 O ATOM 715 NE2 GLN A 49 6.639 -5.795 -14.576 1.00 0.00 N ATOM 0 H GLN A 49 5.551 -2.473 -10.662 1.00 0.00 H new ATOM 0 HA GLN A 49 7.425 -4.659 -9.992 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.075 -3.217 -12.587 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.715 -3.522 -12.051 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.319 -5.919 -11.916 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.592 -5.711 -12.128 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.783 -5.986 -14.056 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.652 -5.895 -15.591 1.00 0.00 H new ATOM 724 N PRO A 50 9.314 -2.952 -9.471 1.00 0.00 N ATOM 725 CA PRO A 50 10.190 -2.012 -8.793 1.00 0.00 C ATOM 726 C PRO A 50 10.671 -0.921 -9.752 1.00 0.00 C ATOM 727 O PRO A 50 10.759 -1.145 -10.958 1.00 0.00 O ATOM 728 CB PRO A 50 11.324 -2.859 -8.240 1.00 0.00 C ATOM 729 CG PRO A 50 11.288 -4.163 -9.019 1.00 0.00 C ATOM 730 CD PRO A 50 9.960 -4.230 -9.755 1.00 0.00 C ATOM 0 HA PRO A 50 9.687 -1.472 -7.991 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.283 -2.356 -8.364 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.193 -3.038 -7.173 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.118 -4.209 -9.724 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.394 -5.013 -8.345 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.107 -4.370 -10.826 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.355 -5.066 -9.405 1.00 0.00 H new ATOM 738 N PRO A 51 10.976 0.267 -9.165 1.00 0.00 N ATOM 739 CA PRO A 51 11.446 1.393 -9.954 1.00 0.00 C ATOM 740 C PRO A 51 12.900 1.192 -10.384 1.00 0.00 C ATOM 741 O PRO A 51 13.790 1.079 -9.543 1.00 0.00 O ATOM 742 CB PRO A 51 11.253 2.607 -9.060 1.00 0.00 C ATOM 743 CG PRO A 51 11.121 2.067 -7.645 1.00 0.00 C ATOM 744 CD PRO A 51 10.883 0.569 -7.739 1.00 0.00 C ATOM 0 HA PRO A 51 10.896 1.511 -10.888 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.099 3.289 -9.140 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.364 3.167 -9.349 1.00 0.00 H new ATOM 0 HG2 PRO A 51 12.024 2.275 -7.071 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.295 2.553 -7.126 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.626 0.013 -7.167 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.906 0.298 -7.340 1.00 0.00 H new ATOM 752 N ALA A 52 13.097 1.155 -11.694 1.00 0.00 N ATOM 753 CA ALA A 52 14.428 0.970 -12.246 1.00 0.00 C ATOM 754 C ALA A 52 15.430 1.798 -11.439 1.00 0.00 C ATOM 755 O ALA A 52 16.593 1.421 -11.313 1.00 0.00 O ATOM 756 CB ALA A 52 14.422 1.344 -13.729 1.00 0.00 C ATOM 0 H ALA A 52 12.357 1.250 -12.389 1.00 0.00 H new ATOM 0 HA ALA A 52 14.731 -0.075 -12.175 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.421 1.205 -14.143 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.716 0.707 -14.262 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.125 2.387 -13.840 1.00 0.00 H new ATOM 762 N ALA A 53 14.941 2.912 -10.914 1.00 0.00 N ATOM 763 CA ALA A 53 15.779 3.797 -10.123 1.00 0.00 C ATOM 764 C ALA A 53 15.232 3.869 -8.696 1.00 0.00 C ATOM 765 O ALA A 53 14.478 4.782 -8.361 1.00 0.00 O ATOM 766 CB ALA A 53 15.844 5.171 -10.792 1.00 0.00 C ATOM 0 H ALA A 53 13.975 3.222 -11.021 1.00 0.00 H new ATOM 0 HA ALA A 53 16.798 3.413 -10.067 1.00 0.00 H new ATOM 0 HB1 ALA A 53 16.473 5.835 -10.199 1.00 0.00 H new ATOM 0 HB2 ALA A 53 16.266 5.069 -11.792 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.840 5.589 -10.863 1.00 0.00 H new ATOM 772 N PRO A 54 15.644 2.869 -7.872 1.00 0.00 N ATOM 773 CA PRO A 54 15.204 2.810 -6.488 1.00 0.00 C ATOM 774 C PRO A 54 15.928 3.856 -5.638 1.00 0.00 C ATOM 775 O PRO A 54 15.341 4.433 -4.723 1.00 0.00 O ATOM 776 CB PRO A 54 15.489 1.384 -6.045 1.00 0.00 C ATOM 777 CG PRO A 54 16.497 0.832 -7.039 1.00 0.00 C ATOM 778 CD PRO A 54 16.537 1.772 -8.233 1.00 0.00 C ATOM 0 HA PRO A 54 14.146 3.045 -6.372 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.889 1.363 -5.031 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.577 0.787 -6.041 1.00 0.00 H new ATOM 0 HG2 PRO A 54 17.483 0.755 -6.580 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.213 -0.172 -7.353 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.549 2.131 -8.421 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.202 1.272 -9.142 1.00 0.00 H new ATOM 786 N ASN A 55 17.193 4.070 -5.969 1.00 0.00 N ATOM 787 CA ASN A 55 18.003 5.036 -5.248 1.00 0.00 C ATOM 788 C ASN A 55 17.800 4.844 -3.744 1.00 0.00 C ATOM 789 O ASN A 55 17.631 5.815 -3.007 1.00 0.00 O ATOM 790 CB ASN A 55 17.597 6.468 -5.601 1.00 0.00 C ATOM 791 CG ASN A 55 17.133 6.564 -7.056 1.00 0.00 C ATOM 792 OD1 ASN A 55 17.922 6.563 -7.987 1.00 0.00 O ATOM 793 ND2 ASN A 55 15.814 6.646 -7.198 1.00 0.00 N ATOM 0 H ASN A 55 17.677 3.590 -6.728 1.00 0.00 H new ATOM 0 HA ASN A 55 19.045 4.877 -5.527 1.00 0.00 H new ATOM 0 HB2 ASN A 55 16.797 6.797 -4.938 1.00 0.00 H new ATOM 0 HB3 ASN A 55 18.441 7.139 -5.440 1.00 0.00 H new ATOM 0 HD21 ASN A 55 15.405 6.713 -8.130 1.00 0.00 H new ATOM 0 HD22 ASN A 55 15.211 6.641 -6.375 1.00 0.00 H new ATOM 800 N GLY A 56 17.822 3.585 -3.332 1.00 0.00 N ATOM 801 CA GLY A 56 17.642 3.253 -1.929 1.00 0.00 C ATOM 802 C GLY A 56 16.976 1.885 -1.770 1.00 0.00 C ATOM 803 O GLY A 56 16.035 1.560 -2.493 1.00 0.00 O ATOM 0 H GLY A 56 17.962 2.782 -3.946 1.00 0.00 H new ATOM 0 HA2 GLY A 56 18.609 3.252 -1.425 1.00 0.00 H new ATOM 0 HA3 GLY A 56 17.032 4.017 -1.446 1.00 0.00 H new ATOM 807 N ILE A 57 17.490 1.119 -0.819 1.00 0.00 N ATOM 808 CA ILE A 57 16.957 -0.207 -0.556 1.00 0.00 C ATOM 809 C ILE A 57 15.493 -0.088 -0.126 1.00 0.00 C ATOM 810 O ILE A 57 15.168 0.684 0.774 1.00 0.00 O ATOM 811 CB ILE A 57 17.836 -0.948 0.454 1.00 0.00 C ATOM 812 CG1 ILE A 57 19.057 -1.564 -0.231 1.00 0.00 C ATOM 813 CG2 ILE A 57 17.025 -1.990 1.226 1.00 0.00 C ATOM 814 CD1 ILE A 57 19.613 -0.629 -1.306 1.00 0.00 C ATOM 0 H ILE A 57 18.270 1.391 -0.221 1.00 0.00 H new ATOM 0 HA ILE A 57 16.975 -0.811 -1.463 1.00 0.00 H new ATOM 0 HB ILE A 57 18.205 -0.225 1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 57 19.829 -1.771 0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 57 18.783 -2.518 -0.681 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.673 -2.502 1.937 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.216 -1.496 1.764 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.607 -2.716 0.528 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.480 -1.091 -1.777 1.00 0.00 H new ATOM 0 HD12 ILE A 57 18.847 -0.444 -2.059 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.909 0.316 -0.849 1.00 0.00 H new ATOM 826 N ILE A 58 14.649 -0.864 -0.791 1.00 0.00 N ATOM 827 CA ILE A 58 13.228 -0.854 -0.489 1.00 0.00 C ATOM 828 C ILE A 58 12.991 -1.554 0.851 1.00 0.00 C ATOM 829 O ILE A 58 13.418 -2.691 1.046 1.00 0.00 O ATOM 830 CB ILE A 58 12.430 -1.457 -1.647 1.00 0.00 C ATOM 831 CG1 ILE A 58 12.767 -0.760 -2.966 1.00 0.00 C ATOM 832 CG2 ILE A 58 10.930 -1.432 -1.351 1.00 0.00 C ATOM 833 CD1 ILE A 58 12.564 0.753 -2.854 1.00 0.00 C ATOM 0 H ILE A 58 14.922 -1.503 -1.537 1.00 0.00 H new ATOM 0 HA ILE A 58 12.868 0.169 -0.383 1.00 0.00 H new ATOM 0 HB ILE A 58 12.719 -2.503 -1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.800 -0.973 -3.240 1.00 0.00 H new ATOM 0 HG13 ILE A 58 12.138 -1.157 -3.762 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.386 -1.866 -2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.727 -2.010 -0.449 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.606 -0.402 -1.202 1.00 0.00 H new ATOM 0 HD11 ILE A 58 12.811 1.225 -3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.524 0.963 -2.604 1.00 0.00 H new ATOM 0 HD13 ILE A 58 13.213 1.150 -2.073 1.00 0.00 H new ATOM 845 N LEU A 59 12.312 -0.844 1.741 1.00 0.00 N ATOM 846 CA LEU A 59 12.013 -1.383 3.057 1.00 0.00 C ATOM 847 C LEU A 59 10.634 -2.045 3.031 1.00 0.00 C ATOM 848 O LEU A 59 10.368 -2.962 3.806 1.00 0.00 O ATOM 849 CB LEU A 59 12.155 -0.297 4.125 1.00 0.00 C ATOM 850 CG LEU A 59 13.584 0.041 4.554 1.00 0.00 C ATOM 851 CD1 LEU A 59 14.520 0.099 3.345 1.00 0.00 C ATOM 852 CD2 LEU A 59 13.621 1.334 5.370 1.00 0.00 C ATOM 0 H LEU A 59 11.961 0.099 1.576 1.00 0.00 H new ATOM 0 HA LEU A 59 12.733 -2.157 3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.684 0.613 3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.596 -0.608 5.008 1.00 0.00 H new ATOM 0 HG LEU A 59 13.944 -0.758 5.202 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.529 0.341 3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.526 -0.868 2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 59 14.173 0.866 2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 59 14.649 1.551 5.662 1.00 0.00 H new ATOM 0 HD22 LEU A 59 13.234 2.156 4.767 1.00 0.00 H new ATOM 0 HD23 LEU A 59 13.007 1.218 6.263 1.00 0.00 H new ATOM 864 N ALA A 60 9.794 -1.553 2.133 1.00 0.00 N ATOM 865 CA ALA A 60 8.449 -2.085 1.996 1.00 0.00 C ATOM 866 C ALA A 60 7.684 -1.266 0.955 1.00 0.00 C ATOM 867 O ALA A 60 8.270 -0.439 0.258 1.00 0.00 O ATOM 868 CB ALA A 60 7.758 -2.084 3.362 1.00 0.00 C ATOM 0 H ALA A 60 10.019 -0.791 1.493 1.00 0.00 H new ATOM 0 HA ALA A 60 8.478 -3.117 1.646 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.749 -2.483 3.260 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.325 -2.704 4.057 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.708 -1.064 3.744 1.00 0.00 H new ATOM 874 N TYR A 61 6.386 -1.524 0.883 1.00 0.00 N ATOM 875 CA TYR A 61 5.535 -0.820 -0.061 1.00 0.00 C ATOM 876 C TYR A 61 4.195 -0.450 0.578 1.00 0.00 C ATOM 877 O TYR A 61 3.878 -0.910 1.674 1.00 0.00 O ATOM 878 CB TYR A 61 5.284 -1.796 -1.212 1.00 0.00 C ATOM 879 CG TYR A 61 6.385 -1.802 -2.275 1.00 0.00 C ATOM 880 CD1 TYR A 61 7.541 -2.526 -2.067 1.00 0.00 C ATOM 881 CD2 TYR A 61 6.222 -1.082 -3.441 1.00 0.00 C ATOM 882 CE1 TYR A 61 8.577 -2.531 -3.067 1.00 0.00 C ATOM 883 CE2 TYR A 61 7.258 -1.087 -4.441 1.00 0.00 C ATOM 884 CZ TYR A 61 8.385 -1.811 -4.205 1.00 0.00 C ATOM 885 OH TYR A 61 9.363 -1.816 -5.149 1.00 0.00 O ATOM 0 H TYR A 61 5.903 -2.211 1.463 1.00 0.00 H new ATOM 0 HA TYR A 61 6.011 0.103 -0.391 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.180 -2.802 -0.805 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.336 -1.545 -1.687 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.669 -3.089 -1.154 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.317 -0.515 -3.603 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.486 -3.094 -2.917 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.143 -0.528 -5.358 1.00 0.00 H new ATOM 0 HH TYR A 61 9.088 -1.260 -5.908 1.00 0.00 H new ATOM 895 N GLN A 62 3.444 0.378 -0.133 1.00 0.00 N ATOM 896 CA GLN A 62 2.146 0.815 0.351 1.00 0.00 C ATOM 897 C GLN A 62 1.096 0.687 -0.754 1.00 0.00 C ATOM 898 O GLN A 62 1.301 1.166 -1.869 1.00 0.00 O ATOM 899 CB GLN A 62 2.213 2.249 0.881 1.00 0.00 C ATOM 900 CG GLN A 62 0.834 2.729 1.339 1.00 0.00 C ATOM 901 CD GLN A 62 0.561 2.311 2.785 1.00 0.00 C ATOM 902 OE1 GLN A 62 1.026 2.921 3.734 1.00 0.00 O ATOM 903 NE2 GLN A 62 -0.217 1.238 2.900 1.00 0.00 N ATOM 0 H GLN A 62 3.710 0.758 -1.041 1.00 0.00 H new ATOM 0 HA GLN A 62 1.853 0.170 1.179 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.915 2.301 1.713 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.592 2.911 0.103 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.776 3.814 1.253 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.066 2.316 0.686 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.573 0.774 2.064 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.457 0.879 3.824 1.00 0.00 H new ATOM 912 N ILE A 63 -0.006 0.038 -0.408 1.00 0.00 N ATOM 913 CA ILE A 63 -1.088 -0.159 -1.357 1.00 0.00 C ATOM 914 C ILE A 63 -2.392 0.367 -0.753 1.00 0.00 C ATOM 915 O ILE A 63 -2.886 -0.175 0.234 1.00 0.00 O ATOM 916 CB ILE A 63 -1.159 -1.624 -1.792 1.00 0.00 C ATOM 917 CG1 ILE A 63 -0.717 -1.785 -3.249 1.00 0.00 C ATOM 918 CG2 ILE A 63 -2.555 -2.201 -1.549 1.00 0.00 C ATOM 919 CD1 ILE A 63 0.149 -3.034 -3.424 1.00 0.00 C ATOM 0 H ILE A 63 -0.173 -0.358 0.517 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.905 0.411 -2.268 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.463 -2.197 -1.179 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.594 -1.853 -3.893 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.158 -0.903 -3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.578 -3.243 -1.867 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.794 -2.140 -0.487 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.289 -1.631 -2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.450 -3.125 -4.468 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.037 -2.952 -2.797 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.421 -3.916 -3.132 1.00 0.00 H new ATOM 931 N THR A 64 -2.912 1.417 -1.372 1.00 0.00 N ATOM 932 CA THR A 64 -4.149 2.022 -0.909 1.00 0.00 C ATOM 933 C THR A 64 -5.255 1.840 -1.950 1.00 0.00 C ATOM 934 O THR A 64 -5.070 2.167 -3.121 1.00 0.00 O ATOM 935 CB THR A 64 -3.863 3.488 -0.576 1.00 0.00 C ATOM 936 OG1 THR A 64 -3.561 4.077 -1.838 1.00 0.00 O ATOM 937 CG2 THR A 64 -2.577 3.664 0.234 1.00 0.00 C ATOM 0 H THR A 64 -2.499 1.864 -2.190 1.00 0.00 H new ATOM 0 HA THR A 64 -4.514 1.533 -0.005 1.00 0.00 H new ATOM 0 HB THR A 64 -4.703 3.905 -0.019 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.932 3.522 -2.555 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.421 4.722 0.443 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.661 3.117 1.173 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.732 3.279 -0.337 1.00 0.00 H new ATOM 945 N HIS A 65 -6.381 1.317 -1.485 1.00 0.00 N ATOM 946 CA HIS A 65 -7.516 1.088 -2.362 1.00 0.00 C ATOM 947 C HIS A 65 -8.708 1.923 -1.888 1.00 0.00 C ATOM 948 O HIS A 65 -9.136 1.805 -0.741 1.00 0.00 O ATOM 949 CB HIS A 65 -7.838 -0.405 -2.454 1.00 0.00 C ATOM 950 CG HIS A 65 -7.597 -1.166 -1.172 1.00 0.00 C ATOM 951 ND1 HIS A 65 -8.600 -1.845 -0.503 1.00 0.00 N ATOM 952 CD2 HIS A 65 -6.457 -1.348 -0.446 1.00 0.00 C ATOM 953 CE1 HIS A 65 -8.076 -2.406 0.577 1.00 0.00 C ATOM 954 NE2 HIS A 65 -6.748 -2.097 0.611 1.00 0.00 N ATOM 0 H HIS A 65 -6.531 1.046 -0.513 1.00 0.00 H new ATOM 0 HA HIS A 65 -7.270 1.411 -3.373 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.882 -0.524 -2.744 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -7.235 -0.848 -3.246 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.483 -0.950 -0.689 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -8.607 -3.003 1.303 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -6.087 -2.393 1.330 1.00 0.00 H new ATOM 962 N ARG A 66 -9.209 2.748 -2.795 1.00 0.00 N ATOM 963 CA ARG A 66 -10.342 3.603 -2.484 1.00 0.00 C ATOM 964 C ARG A 66 -11.332 3.617 -3.651 1.00 0.00 C ATOM 965 O ARG A 66 -10.928 3.582 -4.812 1.00 0.00 O ATOM 966 CB ARG A 66 -9.889 5.034 -2.191 1.00 0.00 C ATOM 967 CG ARG A 66 -9.214 5.657 -3.415 1.00 0.00 C ATOM 968 CD ARG A 66 -9.243 7.185 -3.339 1.00 0.00 C ATOM 969 NE ARG A 66 -9.926 7.738 -4.530 1.00 0.00 N ATOM 970 CZ ARG A 66 -9.898 9.031 -4.879 1.00 0.00 C ATOM 971 NH1 ARG A 66 -9.219 9.912 -4.132 1.00 0.00 N ATOM 972 NH2 ARG A 66 -10.547 9.443 -5.977 1.00 0.00 N ATOM 0 H ARG A 66 -8.851 2.843 -3.746 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.828 3.200 -1.595 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.748 5.638 -1.898 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.196 5.035 -1.349 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.182 5.312 -3.481 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.719 5.325 -4.322 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.759 7.503 -2.433 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.226 7.574 -3.279 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.451 7.094 -5.122 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.723 9.598 -3.298 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.198 10.897 -4.398 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.062 8.772 -6.547 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.526 10.428 -6.243 1.00 0.00 H new ATOM 986 N LEU A 67 -12.609 3.669 -3.301 1.00 0.00 N ATOM 987 CA LEU A 67 -13.659 3.689 -4.305 1.00 0.00 C ATOM 988 C LEU A 67 -13.675 5.055 -4.993 1.00 0.00 C ATOM 989 O LEU A 67 -13.926 6.075 -4.352 1.00 0.00 O ATOM 990 CB LEU A 67 -15.001 3.297 -3.684 1.00 0.00 C ATOM 991 CG LEU A 67 -15.426 1.839 -3.868 1.00 0.00 C ATOM 992 CD1 LEU A 67 -16.857 1.618 -3.376 1.00 0.00 C ATOM 993 CD2 LEU A 67 -15.243 1.394 -5.321 1.00 0.00 C ATOM 0 H LEU A 67 -12.940 3.698 -2.337 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.462 2.945 -5.077 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -14.961 3.511 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -15.775 3.936 -4.108 1.00 0.00 H new ATOM 0 HG LEU A 67 -14.776 1.214 -3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -17.133 0.573 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -16.921 1.869 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -17.538 2.254 -3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -15.552 0.354 -5.425 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.852 2.020 -5.973 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -14.194 1.490 -5.602 1.00 0.00 H new ATOM 1139 N GLU A 78 -2.765 -0.220 3.234 1.00 0.00 N ATOM 1140 CA GLU A 78 -2.091 -1.440 3.645 1.00 0.00 C ATOM 1141 C GLU A 78 -0.622 -1.405 3.219 1.00 0.00 C ATOM 1142 O GLU A 78 -0.313 -1.102 2.068 1.00 0.00 O ATOM 1143 CB GLU A 78 -2.797 -2.674 3.077 1.00 0.00 C ATOM 1144 CG GLU A 78 -1.935 -3.926 3.250 1.00 0.00 C ATOM 1145 CD GLU A 78 -2.718 -5.038 3.952 1.00 0.00 C ATOM 1146 OE1 GLU A 78 -3.389 -5.803 3.227 1.00 0.00 O ATOM 1147 OE2 GLU A 78 -2.626 -5.097 5.197 1.00 0.00 O ATOM 0 HA GLU A 78 -2.132 -1.506 4.732 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.754 -2.814 3.580 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.013 -2.520 2.020 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.595 -4.275 2.275 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.045 -3.682 3.829 1.00 0.00 H new ATOM 1154 N VAL A 79 0.244 -1.718 4.171 1.00 0.00 N ATOM 1155 CA VAL A 79 1.674 -1.725 3.909 1.00 0.00 C ATOM 1156 C VAL A 79 2.097 -3.124 3.456 1.00 0.00 C ATOM 1157 O VAL A 79 1.566 -4.124 3.936 1.00 0.00 O ATOM 1158 CB VAL A 79 2.435 -1.242 5.146 1.00 0.00 C ATOM 1159 CG1 VAL A 79 3.789 -1.943 5.265 1.00 0.00 C ATOM 1160 CG2 VAL A 79 2.604 0.279 5.125 1.00 0.00 C ATOM 0 H VAL A 79 -0.016 -1.969 5.125 1.00 0.00 H new ATOM 0 HA VAL A 79 1.918 -1.033 3.103 1.00 0.00 H new ATOM 0 HB VAL A 79 1.846 -1.502 6.025 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.309 -1.582 6.152 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.636 -3.019 5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.389 -1.729 4.380 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.148 0.597 6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.162 0.571 4.235 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.623 0.754 5.110 1.00 0.00 H new ATOM 1170 N LEU A 80 3.050 -3.149 2.536 1.00 0.00 N ATOM 1171 CA LEU A 80 3.551 -4.409 2.012 1.00 0.00 C ATOM 1172 C LEU A 80 5.063 -4.482 2.232 1.00 0.00 C ATOM 1173 O LEU A 80 5.682 -3.503 2.647 1.00 0.00 O ATOM 1174 CB LEU A 80 3.133 -4.586 0.551 1.00 0.00 C ATOM 1175 CG LEU A 80 1.651 -4.878 0.308 1.00 0.00 C ATOM 1176 CD1 LEU A 80 1.134 -4.113 -0.912 1.00 0.00 C ATOM 1177 CD2 LEU A 80 1.401 -6.383 0.189 1.00 0.00 C ATOM 0 H LEU A 80 3.489 -2.318 2.140 1.00 0.00 H new ATOM 0 HA LEU A 80 3.109 -5.248 2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.399 -3.680 0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.718 -5.400 0.122 1.00 0.00 H new ATOM 0 HG LEU A 80 1.087 -4.525 1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.078 -4.338 -1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.257 -3.042 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.698 -4.412 -1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.340 -6.563 0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.977 -6.783 -0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.708 -6.877 1.111 1.00 0.00 H new ATOM 1189 N ALA A 81 5.615 -5.652 1.943 1.00 0.00 N ATOM 1190 CA ALA A 81 7.043 -5.865 2.104 1.00 0.00 C ATOM 1191 C ALA A 81 7.776 -5.344 0.866 1.00 0.00 C ATOM 1192 O ALA A 81 7.152 -5.063 -0.156 1.00 0.00 O ATOM 1193 CB ALA A 81 7.312 -7.350 2.358 1.00 0.00 C ATOM 0 H ALA A 81 5.099 -6.462 1.599 1.00 0.00 H new ATOM 0 HA ALA A 81 7.418 -5.313 2.966 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.383 -7.510 2.479 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.794 -7.664 3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.951 -7.935 1.512 1.00 0.00 H new ATOM 1199 N PRO A 82 9.124 -5.226 1.003 1.00 0.00 N ATOM 1200 CA PRO A 82 9.947 -4.743 -0.092 1.00 0.00 C ATOM 1201 C PRO A 82 10.115 -5.819 -1.168 1.00 0.00 C ATOM 1202 O PRO A 82 10.786 -5.596 -2.175 1.00 0.00 O ATOM 1203 CB PRO A 82 11.263 -4.339 0.553 1.00 0.00 C ATOM 1204 CG PRO A 82 11.297 -5.039 1.902 1.00 0.00 C ATOM 1205 CD PRO A 82 9.896 -5.549 2.199 1.00 0.00 C ATOM 0 HA PRO A 82 9.498 -3.898 -0.614 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.109 -4.640 -0.065 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.324 -3.257 0.672 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.008 -5.865 1.885 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.626 -4.351 2.681 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.898 -6.622 2.392 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.478 -5.067 3.083 1.00 0.00 H new ATOM 1213 N SER A 83 9.494 -6.962 -0.918 1.00 0.00 N ATOM 1214 CA SER A 83 9.566 -8.072 -1.853 1.00 0.00 C ATOM 1215 C SER A 83 8.162 -8.442 -2.336 1.00 0.00 C ATOM 1216 O SER A 83 7.893 -9.602 -2.645 1.00 0.00 O ATOM 1217 CB SER A 83 10.244 -9.286 -1.215 1.00 0.00 C ATOM 1218 OG SER A 83 11.324 -9.772 -2.007 1.00 0.00 O ATOM 0 H SER A 83 8.939 -7.144 -0.082 1.00 0.00 H new ATOM 0 HA SER A 83 10.167 -7.761 -2.707 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.613 -9.017 -0.225 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.510 -10.080 -1.077 1.00 0.00 H new ATOM 0 HG SER A 83 11.732 -10.546 -1.565 1.00 0.00 H new ATOM 1224 N ALA A 84 7.303 -7.434 -2.385 1.00 0.00 N ATOM 1225 CA ALA A 84 5.934 -7.638 -2.825 1.00 0.00 C ATOM 1226 C ALA A 84 5.761 -7.055 -4.229 1.00 0.00 C ATOM 1227 O ALA A 84 5.696 -5.837 -4.395 1.00 0.00 O ATOM 1228 CB ALA A 84 4.973 -7.013 -1.811 1.00 0.00 C ATOM 0 H ALA A 84 7.529 -6.473 -2.127 1.00 0.00 H new ATOM 0 HA ALA A 84 5.703 -8.702 -2.880 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.946 -7.166 -2.141 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.115 -7.483 -0.838 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.173 -5.944 -1.731 1.00 0.00 H new ATOM 1234 N ARG A 85 5.692 -7.950 -5.203 1.00 0.00 N ATOM 1235 CA ARG A 85 5.527 -7.539 -6.587 1.00 0.00 C ATOM 1236 C ARG A 85 4.042 -7.393 -6.925 1.00 0.00 C ATOM 1237 O ARG A 85 3.689 -6.802 -7.944 1.00 0.00 O ATOM 1238 CB ARG A 85 6.164 -8.551 -7.541 1.00 0.00 C ATOM 1239 CG ARG A 85 7.382 -7.950 -8.245 1.00 0.00 C ATOM 1240 CD ARG A 85 8.576 -7.859 -7.292 1.00 0.00 C ATOM 1241 NE ARG A 85 9.406 -9.079 -7.403 1.00 0.00 N ATOM 1242 CZ ARG A 85 10.223 -9.341 -8.432 1.00 0.00 C ATOM 1243 NH1 ARG A 85 10.324 -8.471 -9.446 1.00 0.00 N ATOM 1244 NH2 ARG A 85 10.939 -10.474 -8.447 1.00 0.00 N ATOM 0 H ARG A 85 5.747 -8.959 -5.061 1.00 0.00 H new ATOM 0 HA ARG A 85 6.026 -6.578 -6.709 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.462 -9.441 -6.987 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.431 -8.868 -8.283 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.646 -8.561 -9.108 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.136 -6.957 -8.621 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.174 -6.979 -7.529 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.225 -7.740 -6.267 1.00 0.00 H new ATOM 0 HE ARG A 85 9.353 -9.764 -6.649 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.779 -7.609 -9.435 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.946 -8.671 -10.229 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.862 -11.136 -7.675 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.561 -10.674 -9.230 1.00 0.00 H new ATOM 1258 N GLN A 86 3.213 -7.943 -6.050 1.00 0.00 N ATOM 1259 CA GLN A 86 1.774 -7.881 -6.243 1.00 0.00 C ATOM 1260 C GLN A 86 1.060 -7.806 -4.892 1.00 0.00 C ATOM 1261 O GLN A 86 1.704 -7.810 -3.844 1.00 0.00 O ATOM 1262 CB GLN A 86 1.279 -9.077 -7.059 1.00 0.00 C ATOM 1263 CG GLN A 86 1.345 -10.367 -6.238 1.00 0.00 C ATOM 1264 CD GLN A 86 -0.038 -10.751 -5.708 1.00 0.00 C ATOM 1265 OE1 GLN A 86 -0.893 -11.239 -6.428 1.00 0.00 O ATOM 1266 NE2 GLN A 86 -0.208 -10.504 -4.412 1.00 0.00 N ATOM 0 H GLN A 86 3.510 -8.433 -5.206 1.00 0.00 H new ATOM 0 HA GLN A 86 1.541 -6.977 -6.806 1.00 0.00 H new ATOM 0 HB2 GLN A 86 0.254 -8.901 -7.384 1.00 0.00 H new ATOM 0 HB3 GLN A 86 1.885 -9.183 -7.959 1.00 0.00 H new ATOM 0 HG2 GLN A 86 1.739 -11.175 -6.854 1.00 0.00 H new ATOM 0 HG3 GLN A 86 2.035 -10.237 -5.404 1.00 0.00 H new ATOM 0 HE21 GLN A 86 0.550 -10.094 -3.867 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -1.097 -10.725 -3.963 1.00 0.00 H new ATOM 1275 N TYR A 87 -0.262 -7.739 -4.960 1.00 0.00 N ATOM 1276 CA TYR A 87 -1.070 -7.663 -3.755 1.00 0.00 C ATOM 1277 C TYR A 87 -2.505 -8.121 -4.028 1.00 0.00 C ATOM 1278 O TYR A 87 -2.999 -7.994 -5.147 1.00 0.00 O ATOM 1279 CB TYR A 87 -1.086 -6.188 -3.351 1.00 0.00 C ATOM 1280 CG TYR A 87 -2.200 -5.825 -2.366 1.00 0.00 C ATOM 1281 CD1 TYR A 87 -2.002 -5.989 -1.010 1.00 0.00 C ATOM 1282 CD2 TYR A 87 -3.402 -5.333 -2.834 1.00 0.00 C ATOM 1283 CE1 TYR A 87 -3.050 -5.647 -0.083 1.00 0.00 C ATOM 1284 CE2 TYR A 87 -4.449 -4.991 -1.907 1.00 0.00 C ATOM 1285 CZ TYR A 87 -4.222 -5.165 -0.578 1.00 0.00 C ATOM 1286 OH TYR A 87 -5.212 -4.842 0.298 1.00 0.00 O ATOM 0 H TYR A 87 -0.793 -7.736 -5.831 1.00 0.00 H new ATOM 0 HA TYR A 87 -0.660 -8.305 -2.976 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.124 -5.933 -2.906 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -1.194 -5.577 -4.247 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.062 -6.374 -0.644 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.557 -5.205 -3.895 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.909 -5.770 0.981 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -5.394 -4.605 -2.260 1.00 0.00 H new ATOM 0 HH TYR A 87 -5.476 -3.908 0.163 1.00 0.00 H new ATOM 1296 N THR A 88 -3.133 -8.643 -2.985 1.00 0.00 N ATOM 1297 CA THR A 88 -4.501 -9.120 -3.098 1.00 0.00 C ATOM 1298 C THR A 88 -5.447 -8.222 -2.298 1.00 0.00 C ATOM 1299 O THR A 88 -5.203 -7.947 -1.124 1.00 0.00 O ATOM 1300 CB THR A 88 -4.530 -10.583 -2.651 1.00 0.00 C ATOM 1301 OG1 THR A 88 -3.671 -11.246 -3.575 1.00 0.00 O ATOM 1302 CG2 THR A 88 -5.895 -11.237 -2.876 1.00 0.00 C ATOM 0 H THR A 88 -2.720 -8.746 -2.058 1.00 0.00 H new ATOM 0 HA THR A 88 -4.852 -9.073 -4.129 1.00 0.00 H new ATOM 0 HB THR A 88 -4.267 -10.645 -1.595 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.631 -12.201 -3.357 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.861 -12.274 -2.542 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.654 -10.698 -2.310 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.143 -11.205 -3.937 1.00 0.00 H new ATOM 1310 N ALA A 89 -6.506 -7.789 -2.966 1.00 0.00 N ATOM 1311 CA ALA A 89 -7.490 -6.927 -2.333 1.00 0.00 C ATOM 1312 C ALA A 89 -8.797 -7.701 -2.150 1.00 0.00 C ATOM 1313 O ALA A 89 -9.399 -8.148 -3.125 1.00 0.00 O ATOM 1314 CB ALA A 89 -7.674 -5.660 -3.170 1.00 0.00 C ATOM 0 H ALA A 89 -6.704 -8.019 -3.940 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.150 -6.617 -1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.412 -5.014 -2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.723 -5.132 -3.244 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.018 -5.930 -4.168 1.00 0.00 H new ATOM 1320 N THR A 90 -9.198 -7.835 -0.895 1.00 0.00 N ATOM 1321 CA THR A 90 -10.423 -8.547 -0.572 1.00 0.00 C ATOM 1322 C THR A 90 -11.367 -7.648 0.229 1.00 0.00 C ATOM 1323 O THR A 90 -10.923 -6.717 0.899 1.00 0.00 O ATOM 1324 CB THR A 90 -10.042 -9.835 0.161 1.00 0.00 C ATOM 1325 OG1 THR A 90 -9.170 -9.399 1.200 1.00 0.00 O ATOM 1326 CG2 THR A 90 -9.172 -10.759 -0.693 1.00 0.00 C ATOM 0 H THR A 90 -8.696 -7.462 -0.089 1.00 0.00 H new ATOM 0 HA THR A 90 -10.972 -8.819 -1.474 1.00 0.00 H new ATOM 0 HB THR A 90 -10.947 -10.363 0.460 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.876 -10.172 1.726 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.930 -11.658 -0.126 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.714 -11.035 -1.598 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.251 -10.243 -0.965 1.00 0.00 H new ATOM 1334 N GLY A 91 -12.651 -7.959 0.134 1.00 0.00 N ATOM 1335 CA GLY A 91 -13.662 -7.191 0.841 1.00 0.00 C ATOM 1336 C GLY A 91 -13.950 -5.871 0.123 1.00 0.00 C ATOM 1337 O GLY A 91 -13.823 -4.799 0.713 1.00 0.00 O ATOM 0 H GLY A 91 -13.015 -8.733 -0.422 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.579 -7.775 0.918 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.326 -6.990 1.858 1.00 0.00 H new ATOM 1341 N LEU A 92 -14.332 -5.992 -1.139 1.00 0.00 N ATOM 1342 CA LEU A 92 -14.638 -4.822 -1.944 1.00 0.00 C ATOM 1343 C LEU A 92 -16.058 -4.949 -2.500 1.00 0.00 C ATOM 1344 O LEU A 92 -16.672 -6.011 -2.408 1.00 0.00 O ATOM 1345 CB LEU A 92 -13.572 -4.618 -3.022 1.00 0.00 C ATOM 1346 CG LEU A 92 -12.126 -4.877 -2.592 1.00 0.00 C ATOM 1347 CD1 LEU A 92 -11.274 -5.328 -3.780 1.00 0.00 C ATOM 1348 CD2 LEU A 92 -11.534 -3.651 -1.894 1.00 0.00 C ATOM 0 H LEU A 92 -14.437 -6.883 -1.625 1.00 0.00 H new ATOM 0 HA LEU A 92 -14.614 -3.921 -1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -13.803 -5.273 -3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.644 -3.593 -3.387 1.00 0.00 H new ATOM 0 HG LEU A 92 -12.125 -5.691 -1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.251 -5.505 -3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.686 -6.248 -4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.277 -4.552 -4.546 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.506 -3.861 -1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.549 -2.801 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.125 -3.416 -1.009 1.00 0.00 H new ATOM 1360 N LYS A 93 -16.538 -3.851 -3.066 1.00 0.00 N ATOM 1361 CA LYS A 93 -17.874 -3.826 -3.637 1.00 0.00 C ATOM 1362 C LYS A 93 -17.776 -3.964 -5.158 1.00 0.00 C ATOM 1363 O LYS A 93 -16.932 -3.330 -5.789 1.00 0.00 O ATOM 1364 CB LYS A 93 -18.629 -2.577 -3.180 1.00 0.00 C ATOM 1365 CG LYS A 93 -19.904 -2.375 -4.002 1.00 0.00 C ATOM 1366 CD LYS A 93 -20.010 -0.933 -4.504 1.00 0.00 C ATOM 1367 CE LYS A 93 -20.044 0.053 -3.334 1.00 0.00 C ATOM 1368 NZ LYS A 93 -20.428 1.402 -3.805 1.00 0.00 N ATOM 0 H LYS A 93 -16.025 -2.972 -3.141 1.00 0.00 H new ATOM 0 HA LYS A 93 -18.458 -4.672 -3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -18.883 -2.668 -2.124 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -17.986 -1.702 -3.279 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -19.907 -3.060 -4.850 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -20.775 -2.617 -3.394 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -19.163 -0.706 -5.151 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -20.911 -0.819 -5.107 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -20.753 -0.291 -2.581 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -19.065 0.093 -2.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -20.446 2.059 -2.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -19.736 1.734 -4.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -21.372 1.362 -4.241 1.00 0.00 H new ATOM 1382 N PRO A 94 -18.675 -4.818 -5.717 1.00 0.00 N ATOM 1383 CA PRO A 94 -18.698 -5.047 -7.151 1.00 0.00 C ATOM 1384 C PRO A 94 -19.319 -3.858 -7.887 1.00 0.00 C ATOM 1385 O PRO A 94 -19.882 -2.962 -7.260 1.00 0.00 O ATOM 1386 CB PRO A 94 -19.486 -6.335 -7.332 1.00 0.00 C ATOM 1387 CG PRO A 94 -20.267 -6.529 -6.043 1.00 0.00 C ATOM 1388 CD PRO A 94 -19.689 -5.586 -5.000 1.00 0.00 C ATOM 0 HA PRO A 94 -17.699 -5.144 -7.577 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -20.157 -6.266 -8.189 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -18.820 -7.178 -7.516 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -21.325 -6.319 -6.203 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -20.194 -7.563 -5.705 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -20.458 -4.935 -4.585 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -19.253 -6.137 -4.166 1.00 0.00 H new ATOM 1396 N GLU A 95 -19.196 -3.889 -9.205 1.00 0.00 N ATOM 1397 CA GLU A 95 -19.739 -2.824 -10.033 1.00 0.00 C ATOM 1398 C GLU A 95 -19.270 -1.461 -9.519 1.00 0.00 C ATOM 1399 O GLU A 95 -20.084 -0.572 -9.278 1.00 0.00 O ATOM 1400 CB GLU A 95 -21.266 -2.895 -10.085 1.00 0.00 C ATOM 1401 CG GLU A 95 -21.734 -3.824 -11.207 1.00 0.00 C ATOM 1402 CD GLU A 95 -22.427 -3.035 -12.319 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -23.432 -2.364 -11.998 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -21.936 -3.120 -13.466 1.00 0.00 O ATOM 0 H GLU A 95 -18.728 -4.634 -9.721 1.00 0.00 H new ATOM 0 HA GLU A 95 -19.367 -2.954 -11.049 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -21.650 -3.251 -9.129 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -21.675 -1.897 -10.240 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -20.880 -4.364 -11.617 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -22.419 -4.570 -10.804 1.00 0.00 H new ATOM 1411 N SER A 96 -17.959 -1.341 -9.366 1.00 0.00 N ATOM 1412 CA SER A 96 -17.373 -0.102 -8.885 1.00 0.00 C ATOM 1413 C SER A 96 -15.936 0.029 -9.394 1.00 0.00 C ATOM 1414 O SER A 96 -15.496 -0.758 -10.230 1.00 0.00 O ATOM 1415 CB SER A 96 -17.403 -0.035 -7.357 1.00 0.00 C ATOM 1416 OG SER A 96 -16.620 -1.066 -6.762 1.00 0.00 O ATOM 0 H SER A 96 -17.287 -2.081 -9.567 1.00 0.00 H new ATOM 0 HA SER A 96 -17.965 0.728 -9.269 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.033 0.936 -7.029 1.00 0.00 H new ATOM 0 HB3 SER A 96 -18.433 -0.117 -7.011 1.00 0.00 H new ATOM 0 HG SER A 96 -17.212 -1.744 -6.374 1.00 0.00 H new ATOM 1422 N VAL A 97 -15.245 1.031 -8.869 1.00 0.00 N ATOM 1423 CA VAL A 97 -13.867 1.275 -9.260 1.00 0.00 C ATOM 1424 C VAL A 97 -13.037 1.595 -8.015 1.00 0.00 C ATOM 1425 O VAL A 97 -13.469 2.366 -7.159 1.00 0.00 O ATOM 1426 CB VAL A 97 -13.811 2.380 -10.316 1.00 0.00 C ATOM 1427 CG1 VAL A 97 -15.185 3.024 -10.510 1.00 0.00 C ATOM 1428 CG2 VAL A 97 -12.759 3.431 -9.955 1.00 0.00 C ATOM 0 H VAL A 97 -15.614 1.683 -8.177 1.00 0.00 H new ATOM 0 HA VAL A 97 -13.436 0.384 -9.718 1.00 0.00 H new ATOM 0 HB VAL A 97 -13.518 1.924 -11.262 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -15.117 3.806 -11.266 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -15.899 2.267 -10.834 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -15.520 3.458 -9.568 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -12.740 4.205 -10.722 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -13.008 3.879 -8.993 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -11.779 2.958 -9.892 1.00 0.00 H new ATOM 1438 N TYR A 98 -11.862 0.987 -7.954 1.00 0.00 N ATOM 1439 CA TYR A 98 -10.968 1.198 -6.828 1.00 0.00 C ATOM 1440 C TYR A 98 -9.602 1.703 -7.299 1.00 0.00 C ATOM 1441 O TYR A 98 -8.998 1.122 -8.199 1.00 0.00 O ATOM 1442 CB TYR A 98 -10.792 -0.170 -6.167 1.00 0.00 C ATOM 1443 CG TYR A 98 -11.925 -0.550 -5.212 1.00 0.00 C ATOM 1444 CD1 TYR A 98 -13.161 -0.903 -5.714 1.00 0.00 C ATOM 1445 CD2 TYR A 98 -11.711 -0.540 -3.849 1.00 0.00 C ATOM 1446 CE1 TYR A 98 -14.228 -1.261 -4.815 1.00 0.00 C ATOM 1447 CE2 TYR A 98 -12.778 -0.898 -2.950 1.00 0.00 C ATOM 1448 CZ TYR A 98 -13.983 -1.241 -3.477 1.00 0.00 C ATOM 1449 OH TYR A 98 -14.991 -1.578 -2.628 1.00 0.00 O ATOM 0 H TYR A 98 -11.508 0.348 -8.666 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.379 1.942 -6.146 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -10.715 -0.930 -6.944 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.850 -0.179 -5.619 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -13.328 -0.911 -6.781 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.744 -0.264 -3.456 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -15.200 -1.539 -5.194 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -12.624 -0.894 -1.881 1.00 0.00 H new ATOM 0 HH TYR A 98 -14.673 -1.521 -1.703 1.00 0.00 H new ATOM 1459 N LEU A 99 -9.156 2.780 -6.669 1.00 0.00 N ATOM 1460 CA LEU A 99 -7.873 3.370 -7.012 1.00 0.00 C ATOM 1461 C LEU A 99 -6.776 2.719 -6.169 1.00 0.00 C ATOM 1462 O LEU A 99 -6.776 2.838 -4.944 1.00 0.00 O ATOM 1463 CB LEU A 99 -7.931 4.893 -6.878 1.00 0.00 C ATOM 1464 CG LEU A 99 -6.598 5.630 -7.028 1.00 0.00 C ATOM 1465 CD1 LEU A 99 -5.825 5.639 -5.708 1.00 0.00 C ATOM 1466 CD2 LEU A 99 -5.772 5.041 -8.173 1.00 0.00 C ATOM 0 H LEU A 99 -9.660 3.259 -5.923 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.630 3.175 -8.057 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -8.623 5.278 -7.627 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.350 5.136 -5.902 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.808 6.668 -7.284 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.882 6.169 -5.842 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.417 6.141 -4.943 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.624 4.614 -5.397 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.830 5.583 -8.258 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.569 3.989 -7.972 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.328 5.131 -9.106 1.00 0.00 H new ATOM 1478 N PHE A 100 -5.865 2.046 -6.857 1.00 0.00 N ATOM 1479 CA PHE A 100 -4.764 1.376 -6.186 1.00 0.00 C ATOM 1480 C PHE A 100 -3.489 2.218 -6.251 1.00 0.00 C ATOM 1481 O PHE A 100 -2.915 2.402 -7.323 1.00 0.00 O ATOM 1482 CB PHE A 100 -4.528 0.056 -6.923 1.00 0.00 C ATOM 1483 CG PHE A 100 -5.406 -1.097 -6.432 1.00 0.00 C ATOM 1484 CD1 PHE A 100 -6.706 -1.174 -6.822 1.00 0.00 C ATOM 1485 CD2 PHE A 100 -4.886 -2.044 -5.606 1.00 0.00 C ATOM 1486 CE1 PHE A 100 -7.521 -2.244 -6.366 1.00 0.00 C ATOM 1487 CE2 PHE A 100 -5.701 -3.114 -5.151 1.00 0.00 C ATOM 1488 CZ PHE A 100 -7.001 -3.191 -5.541 1.00 0.00 C ATOM 0 H PHE A 100 -5.867 1.950 -7.873 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.009 1.217 -5.136 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.708 0.209 -7.987 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.481 -0.227 -6.814 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -7.119 -0.422 -7.478 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -3.853 -1.982 -5.296 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.554 -2.305 -6.675 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.288 -3.866 -4.495 1.00 0.00 H new ATOM 0 HZ PHE A 100 -7.621 -4.005 -5.195 1.00 0.00 H new ATOM 1498 N ARG A 101 -3.082 2.709 -5.089 1.00 0.00 N ATOM 1499 CA ARG A 101 -1.885 3.527 -5.000 1.00 0.00 C ATOM 1500 C ARG A 101 -0.717 2.703 -4.454 1.00 0.00 C ATOM 1501 O ARG A 101 -0.698 2.352 -3.276 1.00 0.00 O ATOM 1502 CB ARG A 101 -2.112 4.739 -4.094 1.00 0.00 C ATOM 1503 CG ARG A 101 -1.315 5.949 -4.586 1.00 0.00 C ATOM 1504 CD ARG A 101 -2.153 7.226 -4.508 1.00 0.00 C ATOM 1505 NE ARG A 101 -2.450 7.551 -3.095 1.00 0.00 N ATOM 1506 CZ ARG A 101 -3.617 8.053 -2.668 1.00 0.00 C ATOM 1507 NH1 ARG A 101 -4.603 8.290 -3.543 1.00 0.00 N ATOM 1508 NH2 ARG A 101 -3.797 8.317 -1.367 1.00 0.00 N ATOM 0 H ARG A 101 -3.561 2.556 -4.201 1.00 0.00 H new ATOM 0 HA ARG A 101 -1.648 3.877 -6.005 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -3.174 4.984 -4.068 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.817 4.495 -3.074 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.413 6.064 -3.984 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.993 5.783 -5.614 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.616 8.052 -4.975 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -3.082 7.096 -5.063 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.720 7.382 -2.402 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -4.465 8.088 -4.533 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -5.492 8.672 -3.219 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.046 8.136 -0.701 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.685 8.699 -1.042 1.00 0.00 H new ATOM 1522 N ILE A 102 0.228 2.418 -5.338 1.00 0.00 N ATOM 1523 CA ILE A 102 1.397 1.641 -4.960 1.00 0.00 C ATOM 1524 C ILE A 102 2.559 2.590 -4.659 1.00 0.00 C ATOM 1525 O ILE A 102 2.783 3.554 -5.390 1.00 0.00 O ATOM 1526 CB ILE A 102 1.716 0.597 -6.031 1.00 0.00 C ATOM 1527 CG1 ILE A 102 0.603 -0.448 -6.128 1.00 0.00 C ATOM 1528 CG2 ILE A 102 3.083 -0.043 -5.783 1.00 0.00 C ATOM 1529 CD1 ILE A 102 0.571 -1.088 -7.518 1.00 0.00 C ATOM 0 H ILE A 102 0.208 2.711 -6.315 1.00 0.00 H new ATOM 0 HA ILE A 102 1.201 1.077 -4.048 1.00 0.00 H new ATOM 0 HB ILE A 102 1.767 1.102 -6.995 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.756 -1.219 -5.372 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.359 0.019 -5.917 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.285 -0.782 -6.559 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.854 0.727 -5.805 1.00 0.00 H new ATOM 0 HG23 ILE A 102 3.085 -0.531 -4.808 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.229 -1.827 -7.560 1.00 0.00 H new ATOM 0 HD12 ILE A 102 0.394 -0.318 -8.269 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.526 -1.575 -7.716 1.00 0.00 H new ATOM 1541 N THR A 103 3.267 2.284 -3.582 1.00 0.00 N ATOM 1542 CA THR A 103 4.401 3.097 -3.176 1.00 0.00 C ATOM 1543 C THR A 103 5.462 2.231 -2.495 1.00 0.00 C ATOM 1544 O THR A 103 5.179 1.108 -2.080 1.00 0.00 O ATOM 1545 CB THR A 103 3.878 4.228 -2.288 1.00 0.00 C ATOM 1546 OG1 THR A 103 2.683 4.654 -2.937 1.00 0.00 O ATOM 1547 CG2 THR A 103 4.780 5.463 -2.320 1.00 0.00 C ATOM 0 H THR A 103 3.077 1.484 -2.978 1.00 0.00 H new ATOM 0 HA THR A 103 4.896 3.544 -4.038 1.00 0.00 H new ATOM 0 HB THR A 103 3.788 3.871 -1.262 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.277 5.386 -2.427 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.363 6.235 -1.673 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.777 5.195 -1.969 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.844 5.840 -3.341 1.00 0.00 H new ATOM 1555 N ALA A 104 6.662 2.785 -2.402 1.00 0.00 N ATOM 1556 CA ALA A 104 7.767 2.077 -1.778 1.00 0.00 C ATOM 1557 C ALA A 104 8.219 2.842 -0.532 1.00 0.00 C ATOM 1558 O ALA A 104 8.013 4.051 -0.433 1.00 0.00 O ATOM 1559 CB ALA A 104 8.897 1.898 -2.794 1.00 0.00 C ATOM 0 H ALA A 104 6.893 3.716 -2.748 1.00 0.00 H new ATOM 0 HA ALA A 104 7.455 1.083 -1.459 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.726 1.367 -2.326 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.533 1.324 -3.646 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.238 2.876 -3.135 1.00 0.00 H new ATOM 1565 N GLN A 105 8.826 2.106 0.387 1.00 0.00 N ATOM 1566 CA GLN A 105 9.308 2.700 1.622 1.00 0.00 C ATOM 1567 C GLN A 105 10.822 2.515 1.744 1.00 0.00 C ATOM 1568 O GLN A 105 11.318 1.390 1.718 1.00 0.00 O ATOM 1569 CB GLN A 105 8.585 2.109 2.834 1.00 0.00 C ATOM 1570 CG GLN A 105 9.228 2.580 4.140 1.00 0.00 C ATOM 1571 CD GLN A 105 8.166 3.052 5.135 1.00 0.00 C ATOM 1572 OE1 GLN A 105 7.952 4.235 5.340 1.00 0.00 O ATOM 1573 NE2 GLN A 105 7.515 2.063 5.742 1.00 0.00 N ATOM 0 H GLN A 105 8.995 1.104 0.301 1.00 0.00 H new ATOM 0 HA GLN A 105 9.092 3.768 1.597 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.536 2.403 2.815 1.00 0.00 H new ATOM 0 HB3 GLN A 105 8.612 1.021 2.783 1.00 0.00 H new ATOM 0 HG2 GLN A 105 9.807 1.767 4.579 1.00 0.00 H new ATOM 0 HG3 GLN A 105 9.925 3.392 3.934 1.00 0.00 H new ATOM 0 HE21 GLN A 105 7.743 1.093 5.524 1.00 0.00 H new ATOM 0 HE22 GLN A 105 6.788 2.275 6.425 1.00 0.00 H new ATOM 1582 N THR A 106 11.515 3.637 1.876 1.00 0.00 N ATOM 1583 CA THR A 106 12.962 3.613 2.002 1.00 0.00 C ATOM 1584 C THR A 106 13.396 4.301 3.297 1.00 0.00 C ATOM 1585 O THR A 106 12.569 4.578 4.165 1.00 0.00 O ATOM 1586 CB THR A 106 13.557 4.251 0.745 1.00 0.00 C ATOM 1587 OG1 THR A 106 12.607 5.248 0.379 1.00 0.00 O ATOM 1588 CG2 THR A 106 13.571 3.294 -0.448 1.00 0.00 C ATOM 0 H THR A 106 11.101 4.569 1.898 1.00 0.00 H new ATOM 0 HA THR A 106 13.336 2.592 2.073 1.00 0.00 H new ATOM 0 HB THR A 106 14.574 4.584 0.954 1.00 0.00 H new ATOM 0 HG1 THR A 106 13.037 6.129 0.389 1.00 0.00 H new ATOM 0 HG21 THR A 106 14.003 3.797 -1.313 1.00 0.00 H new ATOM 0 HG22 THR A 106 14.169 2.416 -0.203 1.00 0.00 H new ATOM 0 HG23 THR A 106 12.551 2.986 -0.679 1.00 0.00 H new ATOM 1596 N ARG A 107 14.693 4.558 3.388 1.00 0.00 N ATOM 1597 CA ARG A 107 15.247 5.209 4.563 1.00 0.00 C ATOM 1598 C ARG A 107 14.923 6.704 4.543 1.00 0.00 C ATOM 1599 O ARG A 107 15.300 7.437 5.457 1.00 0.00 O ATOM 1600 CB ARG A 107 16.764 5.024 4.631 1.00 0.00 C ATOM 1601 CG ARG A 107 17.457 5.749 3.476 1.00 0.00 C ATOM 1602 CD ARG A 107 18.813 5.111 3.163 1.00 0.00 C ATOM 1603 NE ARG A 107 19.905 6.041 3.525 1.00 0.00 N ATOM 1604 CZ ARG A 107 21.177 5.667 3.719 1.00 0.00 C ATOM 1605 NH1 ARG A 107 21.525 4.380 3.586 1.00 0.00 N ATOM 1606 NH2 ARG A 107 22.102 6.580 4.045 1.00 0.00 N ATOM 0 H ARG A 107 15.376 4.327 2.667 1.00 0.00 H new ATOM 0 HA ARG A 107 14.796 4.747 5.442 1.00 0.00 H new ATOM 0 HB2 ARG A 107 17.138 5.405 5.581 1.00 0.00 H new ATOM 0 HB3 ARG A 107 17.006 3.962 4.596 1.00 0.00 H new ATOM 0 HG2 ARG A 107 16.823 5.718 2.590 1.00 0.00 H new ATOM 0 HG3 ARG A 107 17.596 6.799 3.732 1.00 0.00 H new ATOM 0 HD2 ARG A 107 18.921 4.177 3.715 1.00 0.00 H new ATOM 0 HD3 ARG A 107 18.872 4.863 2.103 1.00 0.00 H new ATOM 0 HE ARG A 107 19.675 7.029 3.634 1.00 0.00 H new ATOM 0 HH11 ARG A 107 20.822 3.685 3.337 1.00 0.00 H new ATOM 0 HH12 ARG A 107 22.493 4.096 3.734 1.00 0.00 H new ATOM 0 HH21 ARG A 107 21.838 7.560 4.146 1.00 0.00 H new ATOM 0 HH22 ARG A 107 23.070 6.295 4.193 1.00 0.00 H new ATOM 1620 N LYS A 108 14.227 7.113 3.492 1.00 0.00 N ATOM 1621 CA LYS A 108 13.848 8.508 3.342 1.00 0.00 C ATOM 1622 C LYS A 108 12.380 8.678 3.740 1.00 0.00 C ATOM 1623 O LYS A 108 12.038 9.593 4.488 1.00 0.00 O ATOM 1624 CB LYS A 108 14.163 8.999 1.928 1.00 0.00 C ATOM 1625 CG LYS A 108 15.566 9.605 1.858 1.00 0.00 C ATOM 1626 CD LYS A 108 16.606 8.540 1.506 1.00 0.00 C ATOM 1627 CE LYS A 108 16.166 7.726 0.288 1.00 0.00 C ATOM 1628 NZ LYS A 108 17.343 7.290 -0.497 1.00 0.00 N ATOM 0 H LYS A 108 13.916 6.503 2.736 1.00 0.00 H new ATOM 0 HA LYS A 108 14.435 9.137 4.011 1.00 0.00 H new ATOM 0 HB2 LYS A 108 14.086 8.169 1.225 1.00 0.00 H new ATOM 0 HB3 LYS A 108 13.426 9.743 1.625 1.00 0.00 H new ATOM 0 HG2 LYS A 108 15.586 10.399 1.111 1.00 0.00 H new ATOM 0 HG3 LYS A 108 15.817 10.061 2.816 1.00 0.00 H new ATOM 0 HD2 LYS A 108 17.565 9.016 1.302 1.00 0.00 H new ATOM 0 HD3 LYS A 108 16.754 7.876 2.358 1.00 0.00 H new ATOM 0 HE2 LYS A 108 15.595 6.856 0.612 1.00 0.00 H new ATOM 0 HE3 LYS A 108 15.506 8.326 -0.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 17.025 6.768 -1.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 17.891 8.123 -0.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 17.941 6.672 0.088 1.00 0.00 H new ATOM 1642 N GLY A 109 11.552 7.783 3.222 1.00 0.00 N ATOM 1643 CA GLY A 109 10.129 7.824 3.514 1.00 0.00 C ATOM 1644 C GLY A 109 9.329 7.076 2.445 1.00 0.00 C ATOM 1645 O GLY A 109 9.526 5.879 2.241 1.00 0.00 O ATOM 0 H GLY A 109 11.839 7.025 2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 109 9.942 7.379 4.491 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.794 8.860 3.566 1.00 0.00 H new ATOM 1649 N TRP A 110 8.443 7.813 1.791 1.00 0.00 N ATOM 1650 CA TRP A 110 7.612 7.235 0.749 1.00 0.00 C ATOM 1651 C TRP A 110 7.741 8.111 -0.499 1.00 0.00 C ATOM 1652 O TRP A 110 7.274 9.249 -0.514 1.00 0.00 O ATOM 1653 CB TRP A 110 6.166 7.080 1.223 1.00 0.00 C ATOM 1654 CG TRP A 110 5.980 6.030 2.321 1.00 0.00 C ATOM 1655 CD1 TRP A 110 6.042 6.205 3.648 1.00 0.00 C ATOM 1656 CD2 TRP A 110 5.697 4.628 2.130 1.00 0.00 C ATOM 1657 NE1 TRP A 110 5.821 5.022 4.324 1.00 0.00 N ATOM 1658 CE2 TRP A 110 5.604 4.033 3.372 1.00 0.00 C ATOM 1659 CE3 TRP A 110 5.525 3.887 0.948 1.00 0.00 C ATOM 1660 CZ2 TRP A 110 5.337 2.670 3.551 1.00 0.00 C ATOM 1661 CZ3 TRP A 110 5.258 2.526 1.144 1.00 0.00 C ATOM 1662 CH2 TRP A 110 5.162 1.912 2.388 1.00 0.00 C ATOM 0 H TRP A 110 8.283 8.806 1.963 1.00 0.00 H new ATOM 0 HA TRP A 110 7.947 6.227 0.504 1.00 0.00 H new ATOM 0 HB2 TRP A 110 5.810 8.042 1.591 1.00 0.00 H new ATOM 0 HB3 TRP A 110 5.541 6.814 0.370 1.00 0.00 H new ATOM 0 HD1 TRP A 110 6.240 7.152 4.128 1.00 0.00 H new ATOM 0 HE1 TRP A 110 5.818 4.897 5.336 1.00 0.00 H new ATOM 0 HE3 TRP A 110 5.593 4.332 -0.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 5.270 2.228 4.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 5.117 1.911 0.268 1.00 0.00 H new ATOM 0 HH2 TRP A 110 4.953 0.855 2.456 1.00 0.00 H new ATOM 1673 N GLY A 111 8.377 7.547 -1.515 1.00 0.00 N ATOM 1674 CA GLY A 111 8.574 8.263 -2.765 1.00 0.00 C ATOM 1675 C GLY A 111 7.274 8.329 -3.569 1.00 0.00 C ATOM 1676 O GLY A 111 6.185 8.227 -3.005 1.00 0.00 O ATOM 0 H GLY A 111 8.763 6.603 -1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 111 8.930 9.272 -2.558 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.346 7.768 -3.354 1.00 0.00 H new ATOM 1680 N GLU A 112 7.431 8.499 -4.873 1.00 0.00 N ATOM 1681 CA GLU A 112 6.283 8.581 -5.761 1.00 0.00 C ATOM 1682 C GLU A 112 5.302 7.444 -5.466 1.00 0.00 C ATOM 1683 O GLU A 112 5.595 6.560 -4.662 1.00 0.00 O ATOM 1684 CB GLU A 112 6.721 8.560 -7.227 1.00 0.00 C ATOM 1685 CG GLU A 112 6.482 9.919 -7.889 1.00 0.00 C ATOM 1686 CD GLU A 112 7.746 10.413 -8.597 1.00 0.00 C ATOM 1687 OE1 GLU A 112 8.793 10.469 -7.916 1.00 0.00 O ATOM 1688 OE2 GLU A 112 7.636 10.723 -9.802 1.00 0.00 O ATOM 0 H GLU A 112 8.336 8.582 -5.337 1.00 0.00 H new ATOM 0 HA GLU A 112 5.776 9.529 -5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.778 8.301 -7.291 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.170 7.788 -7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 112 5.666 9.839 -8.607 1.00 0.00 H new ATOM 0 HG3 GLU A 112 6.175 10.645 -7.137 1.00 0.00 H new ATOM 1695 N ALA A 113 4.158 7.504 -6.131 1.00 0.00 N ATOM 1696 CA ALA A 113 3.133 6.491 -5.950 1.00 0.00 C ATOM 1697 C ALA A 113 2.394 6.278 -7.273 1.00 0.00 C ATOM 1698 O ALA A 113 1.977 7.239 -7.917 1.00 0.00 O ATOM 1699 CB ALA A 113 2.193 6.912 -4.818 1.00 0.00 C ATOM 0 H ALA A 113 3.918 8.239 -6.796 1.00 0.00 H new ATOM 0 HA ALA A 113 3.580 5.539 -5.665 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.424 6.152 -4.682 1.00 0.00 H new ATOM 0 HB2 ALA A 113 2.762 7.022 -3.895 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.723 7.863 -5.070 1.00 0.00 H new ATOM 1705 N ALA A 114 2.254 5.012 -7.638 1.00 0.00 N ATOM 1706 CA ALA A 114 1.573 4.660 -8.873 1.00 0.00 C ATOM 1707 C ALA A 114 0.088 4.433 -8.583 1.00 0.00 C ATOM 1708 O ALA A 114 -0.268 3.558 -7.796 1.00 0.00 O ATOM 1709 CB ALA A 114 2.241 3.430 -9.492 1.00 0.00 C ATOM 0 H ALA A 114 2.600 4.217 -7.100 1.00 0.00 H new ATOM 0 HA ALA A 114 1.648 5.471 -9.598 1.00 0.00 H new ATOM 0 HB1 ALA A 114 1.730 3.166 -10.418 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.287 3.652 -9.705 1.00 0.00 H new ATOM 0 HB3 ALA A 114 2.182 2.594 -8.794 1.00 0.00 H new ATOM 1715 N GLU A 115 -0.739 5.237 -9.236 1.00 0.00 N ATOM 1716 CA GLU A 115 -2.177 5.135 -9.058 1.00 0.00 C ATOM 1717 C GLU A 115 -2.803 4.370 -10.226 1.00 0.00 C ATOM 1718 O GLU A 115 -2.646 4.758 -11.383 1.00 0.00 O ATOM 1719 CB GLU A 115 -2.811 6.520 -8.908 1.00 0.00 C ATOM 1720 CG GLU A 115 -2.908 6.921 -7.435 1.00 0.00 C ATOM 1721 CD GLU A 115 -3.829 8.131 -7.256 1.00 0.00 C ATOM 1722 OE1 GLU A 115 -4.721 8.297 -8.116 1.00 0.00 O ATOM 1723 OE2 GLU A 115 -3.619 8.861 -6.264 1.00 0.00 O ATOM 0 H GLU A 115 -0.440 5.962 -9.889 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.371 4.581 -8.140 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.218 7.256 -9.451 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.805 6.519 -9.355 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.286 6.082 -6.850 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.915 7.155 -7.052 1.00 0.00 H new ATOM 1730 N ALA A 116 -3.499 3.296 -9.883 1.00 0.00 N ATOM 1731 CA ALA A 116 -4.149 2.473 -10.888 1.00 0.00 C ATOM 1732 C ALA A 116 -5.569 2.136 -10.426 1.00 0.00 C ATOM 1733 O ALA A 116 -5.756 1.556 -9.357 1.00 0.00 O ATOM 1734 CB ALA A 116 -3.308 1.221 -11.145 1.00 0.00 C ATOM 0 H ALA A 116 -3.627 2.977 -8.923 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.229 3.012 -11.832 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.796 0.603 -11.899 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.319 1.513 -11.499 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.209 0.653 -10.220 1.00 0.00 H new ATOM 1740 N LEU A 117 -6.532 2.515 -11.253 1.00 0.00 N ATOM 1741 CA LEU A 117 -7.928 2.261 -10.942 1.00 0.00 C ATOM 1742 C LEU A 117 -8.352 0.932 -11.571 1.00 0.00 C ATOM 1743 O LEU A 117 -8.028 0.656 -12.724 1.00 0.00 O ATOM 1744 CB LEU A 117 -8.796 3.447 -11.367 1.00 0.00 C ATOM 1745 CG LEU A 117 -8.699 4.698 -10.491 1.00 0.00 C ATOM 1746 CD1 LEU A 117 -8.456 5.946 -11.342 1.00 0.00 C ATOM 1747 CD2 LEU A 117 -9.936 4.842 -9.602 1.00 0.00 C ATOM 0 H LEU A 117 -6.373 2.996 -12.138 1.00 0.00 H new ATOM 0 HA LEU A 117 -8.067 2.164 -9.865 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.528 3.721 -12.387 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -9.836 3.122 -11.387 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.839 4.587 -9.830 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.391 6.821 -10.695 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.523 5.834 -11.895 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.280 6.074 -12.044 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -9.842 5.739 -8.990 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -10.826 4.921 -10.227 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -10.023 3.969 -8.955 1.00 0.00 H new ATOM 1759 N VAL A 118 -9.071 0.145 -10.784 1.00 0.00 N ATOM 1760 CA VAL A 118 -9.543 -1.148 -11.249 1.00 0.00 C ATOM 1761 C VAL A 118 -11.020 -1.308 -10.885 1.00 0.00 C ATOM 1762 O VAL A 118 -11.388 -1.216 -9.715 1.00 0.00 O ATOM 1763 CB VAL A 118 -8.662 -2.263 -10.678 1.00 0.00 C ATOM 1764 CG1 VAL A 118 -8.511 -2.120 -9.163 1.00 0.00 C ATOM 1765 CG2 VAL A 118 -9.215 -3.641 -11.047 1.00 0.00 C ATOM 0 H VAL A 118 -9.338 0.378 -9.828 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.467 -1.215 -12.334 1.00 0.00 H new ATOM 0 HB VAL A 118 -7.671 -2.170 -11.123 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -7.881 -2.924 -8.783 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.052 -1.159 -8.932 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -9.493 -2.175 -8.693 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -8.571 -4.415 -10.630 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.222 -3.749 -10.643 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -9.247 -3.742 -12.132 1.00 0.00 H new ATOM 1775 N VAL A 119 -11.826 -1.545 -11.909 1.00 0.00 N ATOM 1776 CA VAL A 119 -13.256 -1.719 -11.712 1.00 0.00 C ATOM 1777 C VAL A 119 -13.533 -3.154 -11.261 1.00 0.00 C ATOM 1778 O VAL A 119 -12.853 -4.086 -11.688 1.00 0.00 O ATOM 1779 CB VAL A 119 -14.010 -1.337 -12.987 1.00 0.00 C ATOM 1780 CG1 VAL A 119 -15.422 -1.927 -12.987 1.00 0.00 C ATOM 1781 CG2 VAL A 119 -14.051 0.182 -13.166 1.00 0.00 C ATOM 0 H VAL A 119 -11.517 -1.621 -12.878 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.617 -1.056 -10.926 1.00 0.00 H new ATOM 0 HB VAL A 119 -13.470 -1.760 -13.834 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -15.936 -1.640 -13.904 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -15.362 -3.014 -12.929 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -15.975 -1.548 -12.128 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -14.593 0.426 -14.080 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -14.556 0.635 -12.313 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -13.034 0.568 -13.233 1.00 0.00 H new ATOM 1791 N THR A 120 -14.533 -3.287 -10.402 1.00 0.00 N ATOM 1792 CA THR A 120 -14.909 -4.593 -9.888 1.00 0.00 C ATOM 1793 C THR A 120 -16.037 -5.194 -10.729 1.00 0.00 C ATOM 1794 O THR A 120 -17.133 -4.639 -10.791 1.00 0.00 O ATOM 1795 CB THR A 120 -15.273 -4.433 -8.410 1.00 0.00 C ATOM 1796 OG1 THR A 120 -16.347 -3.497 -8.417 1.00 0.00 O ATOM 1797 CG2 THR A 120 -14.173 -3.733 -7.609 1.00 0.00 C ATOM 0 H THR A 120 -15.094 -2.512 -10.049 1.00 0.00 H new ATOM 0 HA THR A 120 -14.081 -5.299 -9.960 1.00 0.00 H new ATOM 0 HB THR A 120 -15.470 -5.413 -7.976 1.00 0.00 H new ATOM 0 HG1 THR A 120 -16.467 -3.131 -7.516 1.00 0.00 H new ATOM 0 HG21 THR A 120 -14.482 -3.645 -6.567 1.00 0.00 H new ATOM 0 HG22 THR A 120 -13.254 -4.316 -7.667 1.00 0.00 H new ATOM 0 HG23 THR A 120 -13.999 -2.739 -8.021 1.00 0.00 H new ATOM 1805 N THR A 121 -15.729 -6.319 -11.357 1.00 0.00 N ATOM 1806 CA THR A 121 -16.704 -7.001 -12.192 1.00 0.00 C ATOM 1807 C THR A 121 -16.102 -8.279 -12.779 1.00 0.00 C ATOM 1808 O THR A 121 -14.900 -8.513 -12.663 1.00 0.00 O ATOM 1809 CB THR A 121 -17.188 -6.013 -13.256 1.00 0.00 C ATOM 1810 OG1 THR A 121 -17.984 -6.807 -14.131 1.00 0.00 O ATOM 1811 CG2 THR A 121 -16.051 -5.505 -14.144 1.00 0.00 C ATOM 0 H THR A 121 -14.818 -6.776 -11.305 1.00 0.00 H new ATOM 0 HA THR A 121 -17.567 -7.323 -11.610 1.00 0.00 H new ATOM 0 HB THR A 121 -17.675 -5.167 -12.771 1.00 0.00 H new ATOM 0 HG1 THR A 121 -18.340 -6.245 -14.850 1.00 0.00 H new ATOM 0 HG21 THR A 121 -16.449 -4.808 -14.881 1.00 0.00 H new ATOM 0 HG22 THR A 121 -15.308 -4.998 -13.529 1.00 0.00 H new ATOM 0 HG23 THR A 121 -15.585 -6.347 -14.656 1.00 0.00 H new