USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 594 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 26 THR OG1 : rot 122:sc= 0.259 USER MOD Set 1.2: A 29 GLN : amide:sc= 0 X(o=0.26,f=0.22) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 106:sc= 0.376 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0495) USER MOD Single : A 57 MET CE :methyl -160:sc= -0.0267 (180deg=-0.324) USER MOD Single : A 65 LYS NZ :NH3+ -140:sc= 2.25 (180deg=0.52) USER MOD Single : A 66 LYS NZ :NH3+ -139:sc= 1.26 (180deg=0.534) USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= -0.0146 (180deg=-0.142) USER MOD Single : A 71 LYS NZ :NH3+ -170:sc= 0.708 (180deg=0.62) USER MOD Single : A 72 MET CE :methyl -166:sc= -0.0605 (180deg=-0.279) USER MOD Single : A 74 SER OG : rot 90:sc= 1.21 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 85:sc= 1.3 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 143:sc= -0.293 (180deg=-1.67) USER MOD Single : A 85 ASN : amide:sc= 0.95 K(o=0.95,f=-5.2!) USER MOD Single : A 91 THR OG1 : rot -74:sc= 0.986 USER MOD Single : A 93 MET CE :methyl 175:sc= 0 (180deg=-0.041) USER MOD Single : A 94 THR OG1 : rot -71:sc= 0.88 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 96 LYS NZ :NH3+ 179:sc= 0.809 (180deg=0.789) USER MOD Single : A 97 MET CE :methyl -177:sc= 0 (180deg=-0.00621) USER MOD Single : A 98 SER OG : rot 43:sc= 0.3 USER MOD ----------------------------------------------------------------- ATOM 383 N LEU A 25 -3.779 -9.088 -27.324 1.00 0.00 N ATOM 384 CA LEU A 25 -3.464 -9.661 -25.984 1.00 0.00 C ATOM 385 C LEU A 25 -4.569 -10.688 -25.564 1.00 0.00 C ATOM 386 O LEU A 25 -5.769 -10.405 -25.652 1.00 0.00 O ATOM 387 CB LEU A 25 -3.427 -8.521 -24.932 1.00 0.00 C ATOM 388 CG LEU A 25 -2.177 -7.592 -24.970 1.00 0.00 C ATOM 389 CD1 LEU A 25 -1.893 -6.886 -26.310 1.00 0.00 C ATOM 390 CD2 LEU A 25 -2.245 -6.554 -23.831 1.00 0.00 C ATOM 0 HA LEU A 25 -2.497 -10.162 -26.035 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.316 -7.905 -25.063 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.492 -8.968 -23.940 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.336 -8.271 -24.834 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.000 -6.268 -26.214 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.736 -7.633 -27.088 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.742 -6.257 -26.577 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.365 -5.912 -23.871 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.143 -5.946 -23.946 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.276 -7.069 -22.871 1.00 0.00 H new ATOM 402 N THR A 26 -4.151 -11.869 -25.073 1.00 0.00 N ATOM 403 CA THR A 26 -5.084 -13.021 -24.854 1.00 0.00 C ATOM 404 C THR A 26 -5.817 -12.957 -23.484 1.00 0.00 C ATOM 405 O THR A 26 -6.864 -12.316 -23.386 1.00 0.00 O ATOM 406 CB THR A 26 -4.256 -14.296 -25.021 1.00 0.00 C ATOM 407 OG1 THR A 26 -3.108 -14.326 -24.170 1.00 0.00 O ATOM 408 CG2 THR A 26 -3.749 -14.329 -26.476 1.00 0.00 C ATOM 0 H THR A 26 -3.183 -12.063 -24.818 1.00 0.00 H new ATOM 0 HA THR A 26 -5.893 -12.993 -25.584 1.00 0.00 H new ATOM 0 HB THR A 26 -4.890 -15.145 -24.764 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.148 -15.119 -23.595 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.152 -15.228 -26.633 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.600 -14.334 -27.158 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.136 -13.448 -26.668 1.00 0.00 H new ATOM 416 N GLU A 27 -5.294 -13.618 -22.452 1.00 0.00 N ATOM 417 CA GLU A 27 -5.951 -13.738 -21.120 1.00 0.00 C ATOM 418 C GLU A 27 -4.949 -13.230 -20.030 1.00 0.00 C ATOM 419 O GLU A 27 -5.229 -12.254 -19.324 1.00 0.00 O ATOM 420 CB GLU A 27 -6.335 -15.210 -20.804 1.00 0.00 C ATOM 421 CG GLU A 27 -7.287 -15.890 -21.826 1.00 0.00 C ATOM 422 CD GLU A 27 -6.581 -16.331 -23.113 1.00 0.00 C ATOM 423 OE1 GLU A 27 -5.467 -16.910 -23.009 1.00 0.00 O ATOM 424 OE2 GLU A 27 -7.131 -16.089 -24.225 1.00 0.00 O ATOM 0 H GLU A 27 -4.394 -14.095 -22.502 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.865 -13.144 -21.126 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.420 -15.799 -20.739 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.805 -15.241 -19.821 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.750 -16.759 -21.358 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.090 -15.198 -22.079 1.00 0.00 H new ATOM 431 N GLU A 28 -3.755 -13.853 -19.965 1.00 0.00 N ATOM 432 CA GLU A 28 -2.601 -13.382 -19.153 1.00 0.00 C ATOM 433 C GLU A 28 -2.098 -11.937 -19.497 1.00 0.00 C ATOM 434 O GLU A 28 -1.959 -11.141 -18.569 1.00 0.00 O ATOM 435 CB GLU A 28 -1.417 -14.362 -19.322 1.00 0.00 C ATOM 436 CG GLU A 28 -0.195 -14.082 -18.431 1.00 0.00 C ATOM 437 CD GLU A 28 0.809 -15.216 -18.619 1.00 0.00 C ATOM 438 OE1 GLU A 28 1.232 -15.442 -19.784 1.00 0.00 O ATOM 439 OE2 GLU A 28 1.147 -15.884 -17.607 1.00 0.00 O ATOM 0 H GLU A 28 -3.556 -14.710 -20.480 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.966 -13.348 -18.126 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.771 -15.372 -19.116 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.097 -14.343 -20.364 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.258 -13.127 -18.697 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.496 -14.012 -17.386 1.00 0.00 H new ATOM 446 N GLN A 29 -1.883 -11.556 -20.779 1.00 0.00 N ATOM 447 CA GLN A 29 -1.455 -10.158 -21.127 1.00 0.00 C ATOM 448 C GLN A 29 -2.528 -9.049 -20.803 1.00 0.00 C ATOM 449 O GLN A 29 -2.180 -7.964 -20.321 1.00 0.00 O ATOM 450 CB GLN A 29 -1.104 -10.091 -22.621 1.00 0.00 C ATOM 451 CG GLN A 29 -0.003 -11.076 -23.049 1.00 0.00 C ATOM 452 CD GLN A 29 0.061 -11.083 -24.579 1.00 0.00 C ATOM 453 OE1 GLN A 29 0.537 -10.122 -25.194 1.00 0.00 O ATOM 454 NE2 GLN A 29 -0.467 -12.178 -25.205 1.00 0.00 N ATOM 0 H GLN A 29 -1.993 -12.175 -21.582 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.591 -9.943 -20.499 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.003 -10.291 -23.204 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -0.785 -9.077 -22.864 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.958 -10.778 -22.629 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.219 -12.076 -22.673 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.848 -12.946 -24.653 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.480 -12.226 -26.224 1.00 0.00 H new ATOM 463 N LYS A 30 -3.828 -9.332 -21.057 1.00 0.00 N ATOM 464 CA LYS A 30 -4.973 -8.480 -20.598 1.00 0.00 C ATOM 465 C LYS A 30 -4.927 -8.175 -19.062 1.00 0.00 C ATOM 466 O LYS A 30 -4.899 -7.019 -18.628 1.00 0.00 O ATOM 467 CB LYS A 30 -6.351 -9.095 -20.934 1.00 0.00 C ATOM 468 CG LYS A 30 -6.679 -9.118 -22.439 1.00 0.00 C ATOM 469 CD LYS A 30 -6.945 -7.726 -23.042 1.00 0.00 C ATOM 470 CE LYS A 30 -7.417 -7.787 -24.502 1.00 0.00 C ATOM 471 NZ LYS A 30 -7.719 -6.440 -25.042 1.00 0.00 N ATOM 0 H LYS A 30 -4.122 -10.154 -21.584 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.854 -7.548 -21.150 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.385 -10.115 -20.550 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.125 -8.532 -20.413 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.851 -9.583 -22.974 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.555 -9.746 -22.600 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.698 -7.214 -22.443 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.034 -7.131 -22.985 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.647 -8.259 -25.113 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.307 -8.413 -24.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.034 -6.525 -26.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.471 -5.999 -24.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.864 -5.850 -25.001 1.00 0.00 H new ATOM 485 N GLN A 31 -4.880 -9.265 -18.282 1.00 0.00 N ATOM 486 CA GLN A 31 -4.612 -9.241 -16.821 1.00 0.00 C ATOM 487 C GLN A 31 -3.285 -8.501 -16.423 1.00 0.00 C ATOM 488 O GLN A 31 -3.362 -7.679 -15.522 1.00 0.00 O ATOM 489 CB GLN A 31 -4.547 -10.680 -16.255 1.00 0.00 C ATOM 490 CG GLN A 31 -4.473 -10.769 -14.720 1.00 0.00 C ATOM 491 CD GLN A 31 -4.403 -12.243 -14.308 1.00 0.00 C ATOM 492 OE1 GLN A 31 -5.370 -12.799 -13.777 1.00 0.00 O ATOM 493 NE2 GLN A 31 -3.227 -12.886 -14.577 1.00 0.00 N ATOM 0 H GLN A 31 -5.028 -10.206 -18.646 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.444 -8.682 -16.392 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.426 -11.229 -16.594 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.676 -11.182 -16.676 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.597 -10.234 -14.354 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.346 -10.294 -14.273 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.458 -12.380 -15.017 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.118 -13.871 -14.337 1.00 0.00 H new ATOM 502 N GLU A 32 -2.116 -8.699 -17.072 1.00 0.00 N ATOM 503 CA GLU A 32 -0.872 -7.902 -16.796 1.00 0.00 C ATOM 504 C GLU A 32 -1.045 -6.348 -16.811 1.00 0.00 C ATOM 505 O GLU A 32 -0.672 -5.684 -15.839 1.00 0.00 O ATOM 506 CB GLU A 32 0.276 -8.211 -17.791 1.00 0.00 C ATOM 507 CG GLU A 32 0.893 -9.611 -17.636 1.00 0.00 C ATOM 508 CD GLU A 32 1.922 -9.817 -18.744 1.00 0.00 C ATOM 509 OE1 GLU A 32 2.954 -9.093 -18.732 1.00 0.00 O ATOM 510 OE2 GLU A 32 1.684 -10.684 -19.625 1.00 0.00 O ATOM 0 H GLU A 32 -1.995 -9.406 -17.797 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.632 -8.223 -15.782 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.103 -8.105 -18.808 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.061 -7.465 -17.664 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.365 -9.710 -16.659 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.117 -10.374 -17.694 1.00 0.00 H new ATOM 517 N ILE A 33 -1.612 -5.769 -17.887 1.00 0.00 N ATOM 518 CA ILE A 33 -1.822 -4.287 -17.969 1.00 0.00 C ATOM 519 C ILE A 33 -2.951 -3.793 -16.995 1.00 0.00 C ATOM 520 O ILE A 33 -2.712 -2.812 -16.279 1.00 0.00 O ATOM 521 CB ILE A 33 -2.113 -3.857 -19.418 1.00 0.00 C ATOM 522 CG1 ILE A 33 -0.832 -3.838 -20.299 1.00 0.00 C ATOM 523 CG2 ILE A 33 -2.770 -2.456 -19.486 1.00 0.00 C ATOM 524 CD1 ILE A 33 -0.199 -5.192 -20.637 1.00 0.00 C ATOM 0 H ILE A 33 -1.933 -6.285 -18.707 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.896 -3.811 -17.647 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.804 -4.605 -19.806 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.072 -3.333 -21.235 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.082 -3.230 -19.793 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.958 -2.192 -20.527 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.713 -2.469 -18.939 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.102 -1.719 -19.040 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.685 -5.036 -21.255 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.087 -5.700 -19.716 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.918 -5.804 -21.181 1.00 0.00 H new ATOM 536 N ARG A 34 -4.145 -4.440 -16.925 1.00 0.00 N ATOM 537 CA ARG A 34 -5.172 -4.083 -15.912 1.00 0.00 C ATOM 538 C ARG A 34 -4.713 -4.316 -14.435 1.00 0.00 C ATOM 539 O ARG A 34 -4.821 -3.374 -13.650 1.00 0.00 O ATOM 540 CB ARG A 34 -6.510 -4.857 -16.103 1.00 0.00 C ATOM 541 CG ARG A 34 -7.626 -4.490 -15.091 1.00 0.00 C ATOM 542 CD ARG A 34 -7.745 -5.441 -13.878 1.00 0.00 C ATOM 543 NE ARG A 34 -8.462 -4.747 -12.754 1.00 0.00 N ATOM 544 CZ ARG A 34 -8.663 -5.325 -11.528 1.00 0.00 C ATOM 545 NH1 ARG A 34 -8.237 -6.592 -11.260 1.00 0.00 N ATOM 546 NH2 ARG A 34 -9.280 -4.599 -10.550 1.00 0.00 N ATOM 0 H ARG A 34 -4.417 -5.200 -17.548 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.323 -3.017 -16.080 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.879 -4.672 -17.112 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.309 -5.926 -16.028 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.446 -3.479 -14.725 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.581 -4.474 -15.616 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.285 -6.343 -14.164 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.753 -5.753 -13.551 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.815 -3.803 -12.911 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.757 -7.132 -11.980 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.399 -7.000 -10.339 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.583 -3.643 -10.738 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.438 -5.012 -9.631 1.00 0.00 H new ATOM 560 N GLU A 35 -4.202 -5.506 -14.056 1.00 0.00 N ATOM 561 CA GLU A 35 -3.681 -5.770 -12.684 1.00 0.00 C ATOM 562 C GLU A 35 -2.535 -4.805 -12.236 1.00 0.00 C ATOM 563 O GLU A 35 -2.608 -4.294 -11.119 1.00 0.00 O ATOM 564 CB GLU A 35 -3.289 -7.248 -12.418 1.00 0.00 C ATOM 565 CG GLU A 35 -3.818 -7.790 -11.073 1.00 0.00 C ATOM 566 CD GLU A 35 -5.342 -7.950 -11.085 1.00 0.00 C ATOM 567 OE1 GLU A 35 -5.972 -7.847 -12.175 1.00 0.00 O ATOM 568 OE2 GLU A 35 -5.916 -8.171 -9.985 1.00 0.00 O ATOM 0 H GLU A 35 -4.136 -6.309 -14.681 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.545 -5.555 -12.056 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.672 -7.869 -13.228 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.203 -7.337 -12.435 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.353 -8.753 -10.861 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.530 -7.113 -10.269 1.00 0.00 H new ATOM 575 N ALA A 36 -1.529 -4.484 -13.085 1.00 0.00 N ATOM 576 CA ALA A 36 -0.493 -3.470 -12.733 1.00 0.00 C ATOM 577 C ALA A 36 -1.031 -2.013 -12.530 1.00 0.00 C ATOM 578 O ALA A 36 -0.847 -1.440 -11.446 1.00 0.00 O ATOM 579 CB ALA A 36 0.613 -3.392 -13.804 1.00 0.00 C ATOM 0 H ALA A 36 -1.409 -4.903 -14.007 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.111 -3.829 -11.777 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.349 -2.643 -13.513 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.100 -4.363 -13.896 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.173 -3.115 -14.762 1.00 0.00 H new ATOM 585 N PHE A 37 -1.718 -1.422 -13.533 1.00 0.00 N ATOM 586 CA PHE A 37 -2.285 -0.047 -13.394 1.00 0.00 C ATOM 587 C PHE A 37 -3.371 0.089 -12.273 1.00 0.00 C ATOM 588 O PHE A 37 -3.270 1.033 -11.492 1.00 0.00 O ATOM 589 CB PHE A 37 -2.928 0.387 -14.739 1.00 0.00 C ATOM 590 CG PHE A 37 -2.940 1.886 -14.898 1.00 0.00 C ATOM 591 CD1 PHE A 37 -3.898 2.690 -14.251 1.00 0.00 C ATOM 592 CD2 PHE A 37 -1.987 2.502 -15.727 1.00 0.00 C ATOM 593 CE1 PHE A 37 -3.878 4.082 -14.400 1.00 0.00 C ATOM 594 CE2 PHE A 37 -1.992 3.887 -15.912 1.00 0.00 C ATOM 595 CZ PHE A 37 -2.920 4.678 -15.226 1.00 0.00 C ATOM 0 H PHE A 37 -1.895 -1.861 -14.437 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.447 0.591 -13.113 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.378 -0.061 -15.566 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.949 0.008 -14.793 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.655 2.229 -13.634 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.243 1.899 -16.226 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.600 4.693 -13.879 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.281 4.346 -16.583 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.896 5.752 -15.335 1.00 0.00 H new ATOM 605 N ASP A 38 -4.331 -0.846 -12.137 1.00 0.00 N ATOM 606 CA ASP A 38 -5.271 -0.907 -10.974 1.00 0.00 C ATOM 607 C ASP A 38 -4.595 -1.190 -9.572 1.00 0.00 C ATOM 608 O ASP A 38 -5.040 -0.618 -8.575 1.00 0.00 O ATOM 609 CB ASP A 38 -6.292 -2.047 -11.267 1.00 0.00 C ATOM 610 CG ASP A 38 -7.594 -2.010 -10.462 1.00 0.00 C ATOM 611 OD1 ASP A 38 -7.555 -2.173 -9.218 1.00 0.00 O ATOM 612 OD2 ASP A 38 -8.673 -1.933 -11.117 1.00 0.00 O ATOM 0 H ASP A 38 -4.486 -1.585 -12.823 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.725 0.080 -10.884 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.543 -2.018 -12.327 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.801 -3.003 -11.082 1.00 0.00 H new ATOM 617 N LEU A 39 -3.508 -1.998 -9.448 1.00 0.00 N ATOM 618 CA LEU A 39 -2.708 -2.120 -8.207 1.00 0.00 C ATOM 619 C LEU A 39 -2.139 -0.760 -7.675 1.00 0.00 C ATOM 620 O LEU A 39 -2.270 -0.471 -6.481 1.00 0.00 O ATOM 621 CB LEU A 39 -1.526 -3.121 -8.294 1.00 0.00 C ATOM 622 CG LEU A 39 -1.934 -4.603 -8.097 1.00 0.00 C ATOM 623 CD1 LEU A 39 -0.811 -5.551 -8.564 1.00 0.00 C ATOM 624 CD2 LEU A 39 -2.351 -4.919 -6.646 1.00 0.00 C ATOM 0 H LEU A 39 -3.164 -2.583 -10.210 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.448 -2.506 -7.506 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.045 -3.014 -9.266 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.784 -2.857 -7.540 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.813 -4.770 -8.720 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.122 -6.585 -8.415 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.608 -5.382 -9.622 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.093 -5.357 -7.986 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.626 -5.971 -6.567 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.518 -4.711 -5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.204 -4.299 -6.369 1.00 0.00 H new ATOM 636 N PHE A 40 -1.508 0.051 -8.549 1.00 0.00 N ATOM 637 CA PHE A 40 -1.001 1.402 -8.168 1.00 0.00 C ATOM 638 C PHE A 40 -2.135 2.492 -8.152 1.00 0.00 C ATOM 639 O PHE A 40 -2.199 3.268 -7.194 1.00 0.00 O ATOM 640 CB PHE A 40 0.187 1.840 -9.043 1.00 0.00 C ATOM 641 CG PHE A 40 1.307 0.840 -8.855 1.00 0.00 C ATOM 642 CD1 PHE A 40 2.004 0.774 -7.634 1.00 0.00 C ATOM 643 CD2 PHE A 40 1.643 -0.075 -9.869 1.00 0.00 C ATOM 644 CE1 PHE A 40 3.019 -0.170 -7.436 1.00 0.00 C ATOM 645 CE2 PHE A 40 2.644 -1.033 -9.669 1.00 0.00 C ATOM 646 CZ PHE A 40 3.338 -1.076 -8.454 1.00 0.00 C ATOM 0 H PHE A 40 -1.334 -0.198 -9.523 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.638 1.311 -7.144 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.109 1.886 -10.091 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.518 2.839 -8.761 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.753 1.461 -6.839 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.122 -0.038 -10.814 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.555 -0.199 -6.499 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.881 -1.739 -10.452 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.118 -1.807 -8.302 1.00 0.00 H new ATOM 656 N ASP A 41 -3.057 2.543 -9.140 1.00 0.00 N ATOM 657 CA ASP A 41 -4.281 3.393 -9.087 1.00 0.00 C ATOM 658 C ASP A 41 -5.433 2.625 -8.347 1.00 0.00 C ATOM 659 O ASP A 41 -6.348 2.067 -8.960 1.00 0.00 O ATOM 660 CB ASP A 41 -4.709 3.702 -10.553 1.00 0.00 C ATOM 661 CG ASP A 41 -5.705 4.846 -10.685 1.00 0.00 C ATOM 662 OD1 ASP A 41 -6.757 4.817 -9.998 1.00 0.00 O ATOM 663 OD2 ASP A 41 -5.436 5.763 -11.510 1.00 0.00 O ATOM 0 H ASP A 41 -2.979 1.998 -9.999 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.080 4.317 -8.545 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.820 3.940 -11.137 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.145 2.803 -10.989 1.00 0.00 H new ATOM 668 N ALA A 42 -5.358 2.585 -7.000 1.00 0.00 N ATOM 669 CA ALA A 42 -6.251 1.713 -6.170 1.00 0.00 C ATOM 670 C ALA A 42 -7.727 2.199 -6.007 1.00 0.00 C ATOM 671 O ALA A 42 -8.660 1.404 -6.137 1.00 0.00 O ATOM 672 CB ALA A 42 -5.680 1.534 -4.750 1.00 0.00 C ATOM 0 H ALA A 42 -4.696 3.139 -6.456 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.277 0.782 -6.736 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.346 0.897 -4.168 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.695 1.070 -4.810 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.594 2.507 -4.267 1.00 0.00 H new ATOM 678 N ASP A 43 -7.928 3.487 -5.691 1.00 0.00 N ATOM 679 CA ASP A 43 -9.278 4.092 -5.504 1.00 0.00 C ATOM 680 C ASP A 43 -10.038 4.496 -6.824 1.00 0.00 C ATOM 681 O ASP A 43 -11.258 4.665 -6.790 1.00 0.00 O ATOM 682 CB ASP A 43 -9.209 5.392 -4.661 1.00 0.00 C ATOM 683 CG ASP A 43 -8.671 5.084 -3.265 1.00 0.00 C ATOM 684 OD1 ASP A 43 -9.376 4.368 -2.504 1.00 0.00 O ATOM 685 OD2 ASP A 43 -7.550 5.560 -2.945 1.00 0.00 O ATOM 0 H ASP A 43 -7.164 4.149 -5.555 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.825 3.287 -5.013 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.566 6.121 -5.154 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.200 5.840 -4.587 1.00 0.00 H new ATOM 690 N GLY A 44 -9.337 4.663 -7.962 1.00 0.00 N ATOM 691 CA GLY A 44 -9.931 5.101 -9.248 1.00 0.00 C ATOM 692 C GLY A 44 -9.682 6.595 -9.522 1.00 0.00 C ATOM 693 O GLY A 44 -10.575 7.418 -9.308 1.00 0.00 O ATOM 0 H GLY A 44 -8.332 4.497 -8.019 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.511 4.509 -10.061 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.004 4.909 -9.235 1.00 0.00 H new ATOM 697 N THR A 45 -8.467 6.937 -9.976 1.00 0.00 N ATOM 698 CA THR A 45 -8.006 8.355 -10.078 1.00 0.00 C ATOM 699 C THR A 45 -7.687 8.750 -11.555 1.00 0.00 C ATOM 700 O THR A 45 -8.388 9.602 -12.109 1.00 0.00 O ATOM 701 CB THR A 45 -6.856 8.703 -9.134 1.00 0.00 C ATOM 702 OG1 THR A 45 -5.752 7.817 -9.273 1.00 0.00 O ATOM 703 CG2 THR A 45 -7.377 8.624 -7.683 1.00 0.00 C ATOM 0 H THR A 45 -7.773 6.256 -10.283 1.00 0.00 H new ATOM 0 HA THR A 45 -8.847 8.962 -9.741 1.00 0.00 H new ATOM 0 HB THR A 45 -6.507 9.705 -9.383 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.041 8.080 -8.651 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.570 8.869 -6.993 1.00 0.00 H new ATOM 0 HG22 THR A 45 -8.195 9.332 -7.551 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.734 7.615 -7.479 1.00 0.00 H new ATOM 711 N GLY A 46 -6.623 8.212 -12.182 1.00 0.00 N ATOM 712 CA GLY A 46 -6.180 8.677 -13.534 1.00 0.00 C ATOM 713 C GLY A 46 -4.720 8.337 -13.901 1.00 0.00 C ATOM 714 O GLY A 46 -4.478 7.694 -14.926 1.00 0.00 O ATOM 0 H GLY A 46 -6.053 7.463 -11.789 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.838 8.239 -14.285 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.309 9.758 -13.589 1.00 0.00 H new ATOM 718 N THR A 47 -3.759 8.853 -13.113 1.00 0.00 N ATOM 719 CA THR A 47 -2.301 8.707 -13.394 1.00 0.00 C ATOM 720 C THR A 47 -1.592 7.804 -12.344 1.00 0.00 C ATOM 721 O THR A 47 -1.804 7.907 -11.131 1.00 0.00 O ATOM 722 CB THR A 47 -1.527 10.017 -13.537 1.00 0.00 C ATOM 723 OG1 THR A 47 -1.573 10.824 -12.362 1.00 0.00 O ATOM 724 CG2 THR A 47 -2.107 10.809 -14.725 1.00 0.00 C ATOM 0 H THR A 47 -3.960 9.382 -12.265 1.00 0.00 H new ATOM 0 HA THR A 47 -2.282 8.230 -14.374 1.00 0.00 H new ATOM 0 HB THR A 47 -0.480 9.762 -13.705 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.707 10.785 -11.905 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.563 11.747 -14.838 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.009 10.221 -15.637 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.160 11.021 -14.542 1.00 0.00 H new ATOM 732 N ILE A 48 -0.695 6.956 -12.862 1.00 0.00 N ATOM 733 CA ILE A 48 0.256 6.159 -12.038 1.00 0.00 C ATOM 734 C ILE A 48 1.591 6.953 -12.235 1.00 0.00 C ATOM 735 O ILE A 48 2.105 7.106 -13.354 1.00 0.00 O ATOM 736 CB ILE A 48 0.402 4.698 -12.480 1.00 0.00 C ATOM 737 CG1 ILE A 48 1.526 3.973 -11.703 1.00 0.00 C ATOM 738 CG2 ILE A 48 0.588 4.582 -14.010 1.00 0.00 C ATOM 739 CD1 ILE A 48 1.757 2.529 -12.161 1.00 0.00 C ATOM 0 H ILE A 48 -0.599 6.794 -13.865 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.075 6.063 -11.004 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.530 4.191 -12.233 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.454 4.534 -11.816 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.280 3.973 -10.641 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.688 3.532 -14.286 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.278 5.009 -14.515 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.486 5.123 -14.309 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.559 2.084 -11.572 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.842 1.953 -12.022 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.034 2.522 -13.215 1.00 0.00 H new ATOM 751 N ASP A 49 2.159 7.426 -11.118 1.00 0.00 N ATOM 752 CA ASP A 49 3.298 8.392 -11.153 1.00 0.00 C ATOM 753 C ASP A 49 4.686 7.715 -10.946 1.00 0.00 C ATOM 754 O ASP A 49 4.834 6.661 -10.331 1.00 0.00 O ATOM 755 CB ASP A 49 3.141 9.563 -10.148 1.00 0.00 C ATOM 756 CG ASP A 49 1.970 10.497 -10.503 1.00 0.00 C ATOM 757 OD1 ASP A 49 1.257 10.267 -11.519 1.00 0.00 O ATOM 758 OD2 ASP A 49 1.784 11.482 -9.739 1.00 0.00 O ATOM 0 H ASP A 49 1.861 7.166 -10.178 1.00 0.00 H new ATOM 0 HA ASP A 49 3.264 8.801 -12.163 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.988 9.159 -9.147 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.065 10.140 -10.121 1.00 0.00 H new ATOM 763 N VAL A 50 5.692 8.395 -11.526 1.00 0.00 N ATOM 764 CA VAL A 50 7.107 7.952 -11.719 1.00 0.00 C ATOM 765 C VAL A 50 7.755 7.001 -10.654 1.00 0.00 C ATOM 766 O VAL A 50 8.365 6.011 -11.050 1.00 0.00 O ATOM 767 CB VAL A 50 8.007 9.151 -12.028 1.00 0.00 C ATOM 768 CG1 VAL A 50 8.040 10.161 -10.859 1.00 0.00 C ATOM 769 CG2 VAL A 50 9.413 8.701 -12.482 1.00 0.00 C ATOM 0 H VAL A 50 5.540 9.331 -11.901 1.00 0.00 H new ATOM 0 HA VAL A 50 7.029 7.283 -12.576 1.00 0.00 H new ATOM 0 HB VAL A 50 7.571 9.686 -12.872 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.690 10.997 -11.119 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.032 10.530 -10.669 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.421 9.669 -9.964 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.025 9.578 -12.693 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.880 8.114 -11.691 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.327 8.093 -13.383 1.00 0.00 H new ATOM 779 N LYS A 51 7.623 7.253 -9.341 1.00 0.00 N ATOM 780 CA LYS A 51 8.025 6.275 -8.278 1.00 0.00 C ATOM 781 C LYS A 51 7.338 4.858 -8.370 1.00 0.00 C ATOM 782 O LYS A 51 7.998 3.827 -8.569 1.00 0.00 O ATOM 783 CB LYS A 51 7.718 6.838 -6.866 1.00 0.00 C ATOM 784 CG LYS A 51 8.245 8.266 -6.638 1.00 0.00 C ATOM 785 CD LYS A 51 7.921 8.795 -5.229 1.00 0.00 C ATOM 786 CE LYS A 51 8.145 10.306 -5.056 1.00 0.00 C ATOM 787 NZ LYS A 51 9.558 10.684 -5.298 1.00 0.00 N ATOM 0 H LYS A 51 7.241 8.125 -8.974 1.00 0.00 H new ATOM 0 HA LYS A 51 9.093 6.136 -8.448 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.639 6.829 -6.708 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.155 6.176 -6.118 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.324 8.280 -6.789 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.811 8.933 -7.382 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.881 8.564 -4.997 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.535 8.263 -4.503 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.500 10.850 -5.746 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.857 10.603 -4.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.669 11.710 -5.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.172 10.184 -4.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.826 10.423 -6.269 1.00 0.00 H new ATOM 801 N GLU A 52 5.998 4.848 -8.277 1.00 0.00 N ATOM 802 CA GLU A 52 5.155 3.629 -8.437 1.00 0.00 C ATOM 803 C GLU A 52 5.143 3.091 -9.907 1.00 0.00 C ATOM 804 O GLU A 52 5.208 1.874 -10.094 1.00 0.00 O ATOM 805 CB GLU A 52 3.705 3.980 -8.059 1.00 0.00 C ATOM 806 CG GLU A 52 3.586 4.453 -6.600 1.00 0.00 C ATOM 807 CD GLU A 52 2.154 4.903 -6.344 1.00 0.00 C ATOM 808 OE1 GLU A 52 1.241 4.044 -6.453 1.00 0.00 O ATOM 809 OE2 GLU A 52 1.961 6.111 -6.046 1.00 0.00 O ATOM 0 H GLU A 52 5.454 5.690 -8.087 1.00 0.00 H new ATOM 0 HA GLU A 52 5.577 2.858 -7.793 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.336 4.761 -8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.070 3.107 -8.210 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.855 3.646 -5.919 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.279 5.273 -6.412 1.00 0.00 H new ATOM 816 N LEU A 53 5.115 3.955 -10.950 1.00 0.00 N ATOM 817 CA LEU A 53 5.326 3.535 -12.362 1.00 0.00 C ATOM 818 C LEU A 53 6.702 2.821 -12.633 1.00 0.00 C ATOM 819 O LEU A 53 6.734 1.860 -13.398 1.00 0.00 O ATOM 820 CB LEU A 53 5.272 4.798 -13.253 1.00 0.00 C ATOM 821 CG LEU A 53 5.412 4.599 -14.778 1.00 0.00 C ATOM 822 CD1 LEU A 53 4.304 3.706 -15.363 1.00 0.00 C ATOM 823 CD2 LEU A 53 5.456 5.977 -15.465 1.00 0.00 C ATOM 0 H LEU A 53 4.947 4.955 -10.841 1.00 0.00 H new ATOM 0 HA LEU A 53 4.543 2.811 -12.587 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.324 5.303 -13.065 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.063 5.474 -12.928 1.00 0.00 H new ATOM 0 HG LEU A 53 6.346 4.070 -14.971 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.452 3.600 -16.438 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.343 2.723 -14.893 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.332 4.161 -15.173 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.555 5.843 -16.542 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.536 6.520 -15.250 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.308 6.543 -15.090 1.00 0.00 H new ATOM 835 N LYS A 54 7.820 3.241 -12.010 1.00 0.00 N ATOM 836 CA LYS A 54 9.113 2.495 -12.037 1.00 0.00 C ATOM 837 C LYS A 54 9.002 1.078 -11.403 1.00 0.00 C ATOM 838 O LYS A 54 9.443 0.110 -12.023 1.00 0.00 O ATOM 839 CB LYS A 54 10.264 3.270 -11.355 1.00 0.00 C ATOM 840 CG LYS A 54 11.657 2.685 -11.649 1.00 0.00 C ATOM 841 CD LYS A 54 12.802 3.559 -11.114 1.00 0.00 C ATOM 842 CE LYS A 54 14.205 3.009 -11.418 1.00 0.00 C ATOM 843 NZ LYS A 54 14.461 2.927 -12.876 1.00 0.00 N ATOM 0 H LYS A 54 7.862 4.106 -11.471 1.00 0.00 H new ATOM 0 HA LYS A 54 9.349 2.385 -13.095 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.238 4.308 -11.685 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.100 3.274 -10.277 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.728 1.692 -11.206 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.774 2.563 -12.726 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.714 4.557 -11.543 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.691 3.665 -10.035 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.955 3.649 -10.953 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.311 2.019 -10.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.454 2.665 -13.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.839 2.208 -13.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.269 3.850 -13.315 1.00 0.00 H new ATOM 857 N VAL A 55 8.398 0.949 -10.200 1.00 0.00 N ATOM 858 CA VAL A 55 8.040 -0.398 -9.612 1.00 0.00 C ATOM 859 C VAL A 55 7.108 -1.249 -10.569 1.00 0.00 C ATOM 860 O VAL A 55 7.301 -2.467 -10.709 1.00 0.00 O ATOM 861 CB VAL A 55 7.393 -0.276 -8.235 1.00 0.00 C ATOM 862 CG1 VAL A 55 7.162 -1.669 -7.607 1.00 0.00 C ATOM 863 CG2 VAL A 55 8.307 0.573 -7.325 1.00 0.00 C ATOM 0 H VAL A 55 8.143 1.741 -9.610 1.00 0.00 H new ATOM 0 HA VAL A 55 8.987 -0.927 -9.501 1.00 0.00 H new ATOM 0 HB VAL A 55 6.422 0.208 -8.340 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.700 -1.554 -6.626 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.506 -2.254 -8.251 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.117 -2.183 -7.500 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.853 0.666 -6.338 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.279 0.089 -7.233 1.00 0.00 H new ATOM 0 HG23 VAL A 55 8.435 1.564 -7.760 1.00 0.00 H new ATOM 873 N ALA A 56 6.153 -0.596 -11.262 1.00 0.00 N ATOM 874 CA ALA A 56 5.359 -1.238 -12.352 1.00 0.00 C ATOM 875 C ALA A 56 6.201 -1.727 -13.576 1.00 0.00 C ATOM 876 O ALA A 56 5.969 -2.830 -14.073 1.00 0.00 O ATOM 877 CB ALA A 56 4.248 -0.325 -12.902 1.00 0.00 C ATOM 0 H ALA A 56 5.906 0.379 -11.092 1.00 0.00 H new ATOM 0 HA ALA A 56 4.933 -2.107 -11.850 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.706 -0.846 -13.691 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.559 -0.066 -12.098 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.692 0.585 -13.307 1.00 0.00 H new ATOM 883 N MET A 57 7.205 -0.941 -14.015 1.00 0.00 N ATOM 884 CA MET A 57 8.214 -1.383 -15.024 1.00 0.00 C ATOM 885 C MET A 57 9.234 -2.451 -14.488 1.00 0.00 C ATOM 886 O MET A 57 9.767 -3.202 -15.303 1.00 0.00 O ATOM 887 CB MET A 57 8.960 -0.205 -15.662 1.00 0.00 C ATOM 888 CG MET A 57 8.036 0.813 -16.367 1.00 0.00 C ATOM 889 SD MET A 57 6.911 0.097 -17.612 1.00 0.00 S ATOM 890 CE MET A 57 6.273 1.672 -18.249 1.00 0.00 C ATOM 0 H MET A 57 7.347 0.015 -13.688 1.00 0.00 H new ATOM 0 HA MET A 57 7.623 -1.877 -15.795 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.531 0.311 -14.891 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.678 -0.591 -16.386 1.00 0.00 H new ATOM 0 HG2 MET A 57 7.440 1.324 -15.611 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.655 1.569 -16.850 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.327 1.500 -18.762 1.00 0.00 H new ATOM 0 HE2 MET A 57 6.116 2.363 -17.421 1.00 0.00 H new ATOM 0 HE3 MET A 57 6.992 2.100 -18.947 1.00 0.00 H new ATOM 900 N ARG A 58 9.526 -2.564 -13.170 1.00 0.00 N ATOM 901 CA ARG A 58 10.313 -3.709 -12.608 1.00 0.00 C ATOM 902 C ARG A 58 9.533 -5.069 -12.801 1.00 0.00 C ATOM 903 O ARG A 58 10.111 -6.009 -13.353 1.00 0.00 O ATOM 904 CB ARG A 58 10.574 -3.612 -11.085 1.00 0.00 C ATOM 905 CG ARG A 58 11.404 -2.402 -10.634 1.00 0.00 C ATOM 906 CD ARG A 58 11.539 -2.362 -9.105 1.00 0.00 C ATOM 907 NE ARG A 58 12.170 -1.065 -8.690 1.00 0.00 N ATOM 908 CZ ARG A 58 12.199 -0.641 -7.387 1.00 0.00 C ATOM 909 NH1 ARG A 58 11.664 -1.410 -6.392 1.00 0.00 N ATOM 910 NH2 ARG A 58 12.765 0.562 -7.080 1.00 0.00 N ATOM 0 H ARG A 58 9.233 -1.882 -12.470 1.00 0.00 H new ATOM 0 HA ARG A 58 11.258 -3.671 -13.149 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.614 -3.584 -10.570 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.083 -4.520 -10.762 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.394 -2.447 -11.088 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.933 -1.483 -10.985 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.559 -2.466 -8.640 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.146 -3.200 -8.761 1.00 0.00 H new ATOM 0 HE ARG A 58 12.594 -0.476 -9.406 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.238 -2.309 -6.616 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.691 -1.085 -5.426 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.164 1.141 -7.819 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.789 0.882 -6.112 1.00 0.00 H new ATOM 924 N ALA A 59 8.235 -5.168 -12.403 1.00 0.00 N ATOM 925 CA ALA A 59 7.380 -6.338 -12.750 1.00 0.00 C ATOM 926 C ALA A 59 7.050 -6.534 -14.274 1.00 0.00 C ATOM 927 O ALA A 59 7.309 -7.617 -14.800 1.00 0.00 O ATOM 928 CB ALA A 59 6.028 -6.262 -12.016 1.00 0.00 C ATOM 0 H ALA A 59 7.761 -4.457 -11.846 1.00 0.00 H new ATOM 0 HA ALA A 59 7.993 -7.184 -12.440 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.420 -7.126 -12.284 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.198 -6.258 -10.939 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.508 -5.349 -12.305 1.00 0.00 H new ATOM 934 N LEU A 60 6.498 -5.528 -14.984 1.00 0.00 N ATOM 935 CA LEU A 60 6.118 -5.652 -16.429 1.00 0.00 C ATOM 936 C LEU A 60 7.282 -5.572 -17.481 1.00 0.00 C ATOM 937 O LEU A 60 7.132 -6.051 -18.611 1.00 0.00 O ATOM 938 CB LEU A 60 5.095 -4.530 -16.764 1.00 0.00 C ATOM 939 CG LEU A 60 4.325 -4.644 -18.102 1.00 0.00 C ATOM 940 CD1 LEU A 60 3.540 -5.961 -18.223 1.00 0.00 C ATOM 941 CD2 LEU A 60 3.382 -3.442 -18.287 1.00 0.00 C ATOM 0 H LEU A 60 6.300 -4.610 -14.587 1.00 0.00 H new ATOM 0 HA LEU A 60 5.720 -6.663 -16.522 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.364 -4.489 -15.957 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.626 -3.578 -16.761 1.00 0.00 H new ATOM 0 HG LEU A 60 5.072 -4.642 -18.896 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.019 -5.988 -19.180 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.230 -6.803 -18.162 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.814 -6.027 -17.413 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.849 -3.540 -19.233 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.664 -3.413 -17.467 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.964 -2.520 -18.292 1.00 0.00 H new ATOM 953 N GLY A 61 8.431 -4.964 -17.138 1.00 0.00 N ATOM 954 CA GLY A 61 9.665 -5.017 -17.962 1.00 0.00 C ATOM 955 C GLY A 61 10.219 -6.431 -18.244 1.00 0.00 C ATOM 956 O GLY A 61 10.283 -6.805 -19.416 1.00 0.00 O ATOM 0 H GLY A 61 8.537 -4.420 -16.282 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.465 -4.528 -18.915 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.440 -4.436 -17.462 1.00 0.00 H new ATOM 960 N PHE A 62 10.574 -7.199 -17.191 1.00 0.00 N ATOM 961 CA PHE A 62 11.108 -8.600 -17.291 1.00 0.00 C ATOM 962 C PHE A 62 12.576 -8.641 -17.845 1.00 0.00 C ATOM 963 O PHE A 62 12.957 -7.820 -18.684 1.00 0.00 O ATOM 964 CB PHE A 62 10.280 -9.613 -18.132 1.00 0.00 C ATOM 965 CG PHE A 62 8.838 -9.687 -17.707 1.00 0.00 C ATOM 966 CD1 PHE A 62 8.474 -10.330 -16.511 1.00 0.00 C ATOM 967 CD2 PHE A 62 7.824 -9.170 -18.533 1.00 0.00 C ATOM 968 CE1 PHE A 62 7.125 -10.455 -16.150 1.00 0.00 C ATOM 969 CE2 PHE A 62 6.476 -9.286 -18.171 1.00 0.00 C ATOM 970 CZ PHE A 62 6.127 -9.929 -16.979 1.00 0.00 C ATOM 0 H PHE A 62 10.502 -6.870 -16.228 1.00 0.00 H new ATOM 0 HA PHE A 62 11.048 -8.921 -16.251 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.329 -9.330 -19.184 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.730 -10.602 -18.046 1.00 0.00 H new ATOM 0 HD1 PHE A 62 9.240 -10.731 -15.864 1.00 0.00 H new ATOM 0 HD2 PHE A 62 8.088 -8.678 -19.457 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.856 -10.957 -15.232 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.707 -8.880 -18.811 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.088 -10.020 -16.698 1.00 0.00 H new ATOM 980 N GLU A 63 13.402 -9.607 -17.399 1.00 0.00 N ATOM 981 CA GLU A 63 14.750 -9.882 -18.019 1.00 0.00 C ATOM 982 C GLU A 63 15.037 -11.550 -18.156 1.00 0.00 C ATOM 983 O GLU A 63 15.452 -11.531 -16.993 1.00 0.00 O ATOM 984 CB GLU A 63 15.942 -9.155 -17.324 1.00 0.00 C ATOM 985 CG GLU A 63 15.900 -7.621 -17.482 1.00 0.00 C ATOM 986 CD GLU A 63 17.175 -7.006 -16.916 1.00 0.00 C ATOM 987 OE1 GLU A 63 18.265 -7.293 -17.479 1.00 0.00 O ATOM 988 OE2 GLU A 63 17.077 -6.239 -15.922 1.00 0.00 O ATOM 0 H GLU A 63 13.177 -10.219 -16.614 1.00 0.00 H new ATOM 0 HA GLU A 63 14.698 -9.452 -19.019 1.00 0.00 H new ATOM 0 HB2 GLU A 63 15.941 -9.404 -16.263 1.00 0.00 H new ATOM 0 HB3 GLU A 63 16.878 -9.530 -17.738 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.795 -7.358 -18.535 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.030 -7.217 -16.964 1.00 0.00 H new ATOM 995 N PRO A 64 14.558 -11.451 -19.435 1.00 0.00 N ATOM 996 CA PRO A 64 14.182 -11.741 -20.881 1.00 0.00 C ATOM 997 C PRO A 64 13.468 -10.445 -21.450 1.00 0.00 C ATOM 998 O PRO A 64 12.235 -10.338 -21.418 1.00 0.00 O ATOM 999 CB PRO A 64 13.362 -13.024 -21.073 1.00 0.00 C ATOM 1000 CG PRO A 64 13.087 -13.457 -19.662 1.00 0.00 C ATOM 1001 CD PRO A 64 13.253 -12.118 -18.953 1.00 0.00 C ATOM 0 HA PRO A 64 15.086 -11.952 -21.452 1.00 0.00 H new ATOM 0 HB2 PRO A 64 12.441 -12.837 -21.625 1.00 0.00 H new ATOM 0 HB3 PRO A 64 13.918 -13.780 -21.627 1.00 0.00 H new ATOM 0 HG2 PRO A 64 12.088 -13.875 -19.539 1.00 0.00 H new ATOM 0 HG3 PRO A 64 13.793 -14.209 -19.309 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.400 -11.472 -19.164 1.00 0.00 H new ATOM 0 HD3 PRO A 64 13.282 -12.265 -17.873 1.00 0.00 H new ATOM 1009 N LYS A 65 14.220 -9.463 -22.001 1.00 0.00 N ATOM 1010 CA LYS A 65 13.627 -8.303 -22.759 1.00 0.00 C ATOM 1011 C LYS A 65 14.697 -7.466 -23.545 1.00 0.00 C ATOM 1012 O LYS A 65 14.499 -7.204 -24.730 1.00 0.00 O ATOM 1013 CB LYS A 65 12.844 -7.308 -21.863 1.00 0.00 C ATOM 1014 CG LYS A 65 11.571 -6.724 -22.504 1.00 0.00 C ATOM 1015 CD LYS A 65 10.428 -7.756 -22.589 1.00 0.00 C ATOM 1016 CE LYS A 65 9.019 -7.172 -22.793 1.00 0.00 C ATOM 1017 NZ LYS A 65 8.648 -6.245 -21.696 1.00 0.00 N ATOM 0 H LYS A 65 15.238 -9.439 -21.942 1.00 0.00 H new ATOM 0 HA LYS A 65 12.943 -8.789 -23.454 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.568 -7.814 -20.938 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.507 -6.486 -21.592 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.237 -5.864 -21.924 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.805 -6.362 -23.505 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.641 -8.440 -23.410 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.428 -8.347 -21.673 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.978 -6.644 -23.746 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.293 -7.983 -22.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.650 -6.389 -21.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.246 -6.432 -20.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.788 -5.263 -22.009 1.00 0.00 H new ATOM 1031 N LYS A 66 15.804 -7.041 -22.884 1.00 0.00 N ATOM 1032 CA LYS A 66 16.964 -6.292 -23.470 1.00 0.00 C ATOM 1033 C LYS A 66 16.750 -4.740 -23.369 1.00 0.00 C ATOM 1034 O LYS A 66 17.027 -4.188 -22.301 1.00 0.00 O ATOM 1035 CB LYS A 66 17.450 -6.746 -24.879 1.00 0.00 C ATOM 1036 CG LYS A 66 18.784 -6.132 -25.349 1.00 0.00 C ATOM 1037 CD LYS A 66 19.343 -6.820 -26.605 1.00 0.00 C ATOM 1038 CE LYS A 66 20.628 -6.191 -27.172 1.00 0.00 C ATOM 1039 NZ LYS A 66 20.379 -4.905 -27.868 1.00 0.00 N ATOM 0 H LYS A 66 15.925 -7.214 -21.886 1.00 0.00 H new ATOM 0 HA LYS A 66 17.806 -6.571 -22.837 1.00 0.00 H new ATOM 0 HB2 LYS A 66 17.550 -7.831 -24.878 1.00 0.00 H new ATOM 0 HB3 LYS A 66 16.679 -6.498 -25.608 1.00 0.00 H new ATOM 0 HG2 LYS A 66 18.639 -5.071 -25.555 1.00 0.00 H new ATOM 0 HG3 LYS A 66 19.516 -6.203 -24.544 1.00 0.00 H new ATOM 0 HD2 LYS A 66 19.541 -7.866 -26.371 1.00 0.00 H new ATOM 0 HD3 LYS A 66 18.577 -6.806 -27.380 1.00 0.00 H new ATOM 0 HE2 LYS A 66 21.337 -6.028 -26.360 1.00 0.00 H new ATOM 0 HE3 LYS A 66 21.094 -6.890 -27.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 20.954 -4.862 -28.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.372 -4.835 -28.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 20.637 -4.116 -27.242 1.00 0.00 H new ATOM 1053 N GLU A 67 16.317 -4.019 -24.426 1.00 0.00 N ATOM 1054 CA GLU A 67 16.314 -2.521 -24.442 1.00 0.00 C ATOM 1055 C GLU A 67 14.954 -1.936 -24.941 1.00 0.00 C ATOM 1056 O GLU A 67 14.732 -1.748 -26.148 1.00 0.00 O ATOM 1057 CB GLU A 67 17.304 -1.933 -25.464 1.00 0.00 C ATOM 1058 CG GLU A 67 18.795 -2.064 -25.156 1.00 0.00 C ATOM 1059 CD GLU A 67 19.507 -1.648 -26.440 1.00 0.00 C ATOM 1060 OE1 GLU A 67 19.080 -0.625 -27.049 1.00 0.00 O ATOM 1061 OE2 GLU A 67 20.430 -2.392 -26.863 1.00 0.00 O ATOM 0 H GLU A 67 15.963 -4.441 -25.285 1.00 0.00 H new ATOM 0 HA GLU A 67 16.553 -2.263 -23.410 1.00 0.00 H new ATOM 0 HB2 GLU A 67 17.116 -2.409 -26.427 1.00 0.00 H new ATOM 0 HB3 GLU A 67 17.076 -0.874 -25.582 1.00 0.00 H new ATOM 0 HG2 GLU A 67 19.082 -1.424 -24.321 1.00 0.00 H new ATOM 0 HG3 GLU A 67 19.051 -3.086 -24.877 1.00 0.00 H new ATOM 1068 N GLU A 68 14.058 -1.593 -23.996 1.00 0.00 N ATOM 1069 CA GLU A 68 12.741 -0.962 -24.315 1.00 0.00 C ATOM 1070 C GLU A 68 12.192 0.023 -23.228 1.00 0.00 C ATOM 1071 O GLU A 68 11.701 1.089 -23.604 1.00 0.00 O ATOM 1072 CB GLU A 68 11.611 -1.980 -24.611 1.00 0.00 C ATOM 1073 CG GLU A 68 11.470 -3.122 -23.589 1.00 0.00 C ATOM 1074 CD GLU A 68 10.065 -3.707 -23.684 1.00 0.00 C ATOM 1075 OE1 GLU A 68 9.632 -4.053 -24.816 1.00 0.00 O ATOM 1076 OE2 GLU A 68 9.398 -3.814 -22.621 1.00 0.00 O ATOM 0 H GLU A 68 14.213 -1.739 -22.998 1.00 0.00 H new ATOM 0 HA GLU A 68 12.990 -0.397 -25.213 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.664 -1.442 -24.663 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.785 -2.415 -25.595 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.213 -3.895 -23.784 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.655 -2.750 -22.581 1.00 0.00 H new ATOM 1083 N ILE A 69 12.222 -0.287 -21.917 1.00 0.00 N ATOM 1084 CA ILE A 69 11.503 0.534 -20.876 1.00 0.00 C ATOM 1085 C ILE A 69 12.095 1.970 -20.655 1.00 0.00 C ATOM 1086 O ILE A 69 11.309 2.902 -20.466 1.00 0.00 O ATOM 1087 CB ILE A 69 11.622 -0.216 -19.549 1.00 0.00 C ATOM 1088 CG1 ILE A 69 10.966 -1.624 -19.622 1.00 0.00 C ATOM 1089 CG2 ILE A 69 11.080 0.603 -18.359 1.00 0.00 C ATOM 1090 CD1 ILE A 69 9.487 -1.630 -20.024 1.00 0.00 C ATOM 0 H ILE A 69 12.726 -1.089 -21.539 1.00 0.00 H new ATOM 0 HA ILE A 69 10.479 0.665 -21.226 1.00 0.00 H new ATOM 0 HB ILE A 69 12.687 -0.361 -19.369 1.00 0.00 H new ATOM 0 HG12 ILE A 69 11.523 -2.231 -20.335 1.00 0.00 H new ATOM 0 HG13 ILE A 69 11.064 -2.105 -18.649 1.00 0.00 H new ATOM 0 HG21 ILE A 69 11.188 0.026 -17.441 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.642 1.533 -18.271 1.00 0.00 H new ATOM 0 HG23 ILE A 69 10.027 0.830 -18.523 1.00 0.00 H new ATOM 0 HD11 ILE A 69 9.120 -2.656 -20.047 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.911 -1.055 -19.299 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.377 -1.183 -21.012 1.00 0.00 H new ATOM 1102 N LYS A 70 13.429 2.179 -20.731 1.00 0.00 N ATOM 1103 CA LYS A 70 14.031 3.551 -20.751 1.00 0.00 C ATOM 1104 C LYS A 70 13.552 4.454 -21.955 1.00 0.00 C ATOM 1105 O LYS A 70 13.294 5.647 -21.759 1.00 0.00 O ATOM 1106 CB LYS A 70 15.580 3.562 -20.754 1.00 0.00 C ATOM 1107 CG LYS A 70 16.158 4.958 -20.435 1.00 0.00 C ATOM 1108 CD LYS A 70 17.681 5.083 -20.593 1.00 0.00 C ATOM 1109 CE LYS A 70 18.207 6.492 -20.256 1.00 0.00 C ATOM 1110 NZ LYS A 70 17.576 7.545 -21.094 1.00 0.00 N ATOM 0 H LYS A 70 14.114 1.425 -20.780 1.00 0.00 H new ATOM 0 HA LYS A 70 13.663 3.971 -19.815 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.947 2.843 -20.021 1.00 0.00 H new ATOM 0 HB3 LYS A 70 15.941 3.236 -21.729 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.679 5.690 -21.086 1.00 0.00 H new ATOM 0 HG3 LYS A 70 15.892 5.219 -19.411 1.00 0.00 H new ATOM 0 HD2 LYS A 70 18.169 4.354 -19.946 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.956 4.834 -21.618 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.018 6.706 -19.204 1.00 0.00 H new ATOM 0 HE3 LYS A 70 19.288 6.517 -20.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.066 8.450 -20.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.645 7.279 -22.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.575 7.644 -20.831 1.00 0.00 H new ATOM 1124 N LYS A 71 13.410 3.872 -23.166 1.00 0.00 N ATOM 1125 CA LYS A 71 12.765 4.530 -24.342 1.00 0.00 C ATOM 1126 C LYS A 71 11.275 4.945 -24.082 1.00 0.00 C ATOM 1127 O LYS A 71 10.963 6.126 -24.212 1.00 0.00 O ATOM 1128 CB LYS A 71 12.899 3.615 -25.591 1.00 0.00 C ATOM 1129 CG LYS A 71 14.375 3.241 -25.873 1.00 0.00 C ATOM 1130 CD LYS A 71 14.607 2.075 -26.856 1.00 0.00 C ATOM 1131 CE LYS A 71 16.097 1.672 -26.907 1.00 0.00 C ATOM 1132 NZ LYS A 71 16.350 0.443 -27.702 1.00 0.00 N ATOM 0 H LYS A 71 13.739 2.927 -23.364 1.00 0.00 H new ATOM 0 HA LYS A 71 13.294 5.466 -24.525 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.316 2.706 -25.440 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.480 4.122 -26.460 1.00 0.00 H new ATOM 0 HG2 LYS A 71 14.883 4.123 -26.262 1.00 0.00 H new ATOM 0 HG3 LYS A 71 14.852 2.990 -24.925 1.00 0.00 H new ATOM 0 HD2 LYS A 71 14.006 1.217 -26.554 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.272 2.364 -27.852 1.00 0.00 H new ATOM 0 HE2 LYS A 71 16.674 2.494 -27.330 1.00 0.00 H new ATOM 0 HE3 LYS A 71 16.459 1.519 -25.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 17.332 0.133 -27.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.701 -0.309 -27.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 16.194 0.644 -28.710 1.00 0.00 H new ATOM 1146 N MET A 72 10.389 4.014 -23.658 1.00 0.00 N ATOM 1147 CA MET A 72 8.954 4.313 -23.358 1.00 0.00 C ATOM 1148 C MET A 72 8.752 5.453 -22.291 1.00 0.00 C ATOM 1149 O MET A 72 8.062 6.432 -22.595 1.00 0.00 O ATOM 1150 CB MET A 72 8.186 3.061 -22.873 1.00 0.00 C ATOM 1151 CG MET A 72 7.741 2.105 -24.001 1.00 0.00 C ATOM 1152 SD MET A 72 9.042 1.478 -25.111 1.00 0.00 S ATOM 1153 CE MET A 72 8.795 2.617 -26.508 1.00 0.00 C ATOM 0 H MET A 72 10.639 3.036 -23.512 1.00 0.00 H new ATOM 0 HA MET A 72 8.551 4.657 -24.311 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.818 2.511 -22.176 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.305 3.383 -22.319 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.244 1.249 -23.544 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.996 2.620 -24.608 1.00 0.00 H new ATOM 0 HE1 MET A 72 9.325 2.240 -27.383 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.731 2.692 -26.733 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.181 3.602 -26.247 1.00 0.00 H new ATOM 1163 N ILE A 73 9.392 5.383 -21.090 1.00 0.00 N ATOM 1164 CA ILE A 73 9.338 6.495 -20.073 1.00 0.00 C ATOM 1165 C ILE A 73 9.879 7.868 -20.627 1.00 0.00 C ATOM 1166 O ILE A 73 9.202 8.885 -20.477 1.00 0.00 O ATOM 1167 CB ILE A 73 10.097 6.125 -18.796 1.00 0.00 C ATOM 1168 CG1 ILE A 73 9.577 4.796 -18.181 1.00 0.00 C ATOM 1169 CG2 ILE A 73 10.040 7.276 -17.762 1.00 0.00 C ATOM 1170 CD1 ILE A 73 8.130 4.840 -17.677 1.00 0.00 C ATOM 0 H ILE A 73 9.948 4.580 -20.796 1.00 0.00 H new ATOM 0 HA ILE A 73 8.281 6.626 -19.841 1.00 0.00 H new ATOM 0 HB ILE A 73 11.140 5.969 -19.072 1.00 0.00 H new ATOM 0 HG12 ILE A 73 9.662 4.009 -18.930 1.00 0.00 H new ATOM 0 HG13 ILE A 73 10.227 4.518 -17.351 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.587 6.986 -16.865 1.00 0.00 H new ATOM 0 HG22 ILE A 73 10.491 8.171 -18.189 1.00 0.00 H new ATOM 0 HG23 ILE A 73 9.001 7.482 -17.503 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.858 3.868 -17.266 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.038 5.600 -16.902 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.464 5.083 -18.505 1.00 0.00 H new ATOM 1182 N SER A 74 11.048 7.876 -21.305 1.00 0.00 N ATOM 1183 CA SER A 74 11.620 9.091 -21.965 1.00 0.00 C ATOM 1184 C SER A 74 10.781 9.736 -23.129 1.00 0.00 C ATOM 1185 O SER A 74 10.801 10.958 -23.301 1.00 0.00 O ATOM 1186 CB SER A 74 13.028 8.834 -22.558 1.00 0.00 C ATOM 1187 OG SER A 74 13.907 8.275 -21.587 1.00 0.00 O ATOM 0 H SER A 74 11.629 7.045 -21.415 1.00 0.00 H new ATOM 0 HA SER A 74 11.628 9.789 -21.128 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.948 8.159 -23.410 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.444 9.770 -22.931 1.00 0.00 H new ATOM 0 HG SER A 74 13.848 7.297 -21.617 1.00 0.00 H new ATOM 1193 N GLU A 75 10.080 8.925 -23.941 1.00 0.00 N ATOM 1194 CA GLU A 75 9.187 9.397 -25.028 1.00 0.00 C ATOM 1195 C GLU A 75 7.818 9.946 -24.520 1.00 0.00 C ATOM 1196 O GLU A 75 7.300 10.887 -25.126 1.00 0.00 O ATOM 1197 CB GLU A 75 8.884 8.262 -26.035 1.00 0.00 C ATOM 1198 CG GLU A 75 10.120 7.838 -26.850 1.00 0.00 C ATOM 1199 CD GLU A 75 9.794 6.587 -27.663 1.00 0.00 C ATOM 1200 OE1 GLU A 75 8.858 6.658 -28.501 1.00 0.00 O ATOM 1201 OE2 GLU A 75 10.474 5.545 -27.457 1.00 0.00 O ATOM 0 H GLU A 75 10.114 7.908 -23.864 1.00 0.00 H new ATOM 0 HA GLU A 75 9.736 10.211 -25.502 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.497 7.398 -25.495 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.100 8.589 -26.718 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.425 8.647 -27.515 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.959 7.641 -26.182 1.00 0.00 H new ATOM 1208 N ILE A 76 7.190 9.349 -23.482 1.00 0.00 N ATOM 1209 CA ILE A 76 5.860 9.801 -22.966 1.00 0.00 C ATOM 1210 C ILE A 76 5.994 11.048 -22.019 1.00 0.00 C ATOM 1211 O ILE A 76 5.335 12.065 -22.265 1.00 0.00 O ATOM 1212 CB ILE A 76 5.131 8.648 -22.274 1.00 0.00 C ATOM 1213 CG1 ILE A 76 4.917 7.500 -23.299 1.00 0.00 C ATOM 1214 CG2 ILE A 76 3.787 9.121 -21.669 1.00 0.00 C ATOM 1215 CD1 ILE A 76 4.358 6.210 -22.693 1.00 0.00 C ATOM 0 H ILE A 76 7.577 8.551 -22.978 1.00 0.00 H new ATOM 0 HA ILE A 76 5.261 10.117 -23.821 1.00 0.00 H new ATOM 0 HB ILE A 76 5.738 8.280 -21.447 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.237 7.846 -24.078 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.869 7.278 -23.782 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.291 8.281 -21.184 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.974 9.905 -20.935 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.148 9.511 -22.462 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.239 5.462 -23.476 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.046 5.836 -21.935 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.390 6.413 -22.235 1.00 0.00 H new ATOM 1227 N ASP A 77 6.843 10.988 -20.975 1.00 0.00 N ATOM 1228 CA ASP A 77 7.212 12.177 -20.147 1.00 0.00 C ATOM 1229 C ASP A 77 8.548 12.732 -20.752 1.00 0.00 C ATOM 1230 O ASP A 77 9.627 12.148 -20.596 1.00 0.00 O ATOM 1231 CB ASP A 77 7.407 11.785 -18.662 1.00 0.00 C ATOM 1232 CG ASP A 77 7.201 13.000 -17.775 1.00 0.00 C ATOM 1233 OD1 ASP A 77 8.105 13.874 -17.699 1.00 0.00 O ATOM 1234 OD2 ASP A 77 6.102 13.086 -17.160 1.00 0.00 O ATOM 0 H ASP A 77 7.296 10.125 -20.674 1.00 0.00 H new ATOM 0 HA ASP A 77 6.422 12.928 -20.168 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.702 11.000 -18.388 1.00 0.00 H new ATOM 0 HB3 ASP A 77 8.408 11.380 -18.512 1.00 0.00 H new ATOM 1239 N LYS A 78 8.447 13.859 -21.472 1.00 0.00 N ATOM 1240 CA LYS A 78 9.566 14.398 -22.305 1.00 0.00 C ATOM 1241 C LYS A 78 10.526 15.446 -21.667 1.00 0.00 C ATOM 1242 O LYS A 78 11.742 15.303 -21.808 1.00 0.00 O ATOM 1243 CB LYS A 78 9.026 15.046 -23.600 1.00 0.00 C ATOM 1244 CG LYS A 78 8.225 14.061 -24.465 1.00 0.00 C ATOM 1245 CD LYS A 78 7.765 14.671 -25.798 1.00 0.00 C ATOM 1246 CE LYS A 78 7.031 13.651 -26.678 1.00 0.00 C ATOM 1247 NZ LYS A 78 6.596 14.249 -27.961 1.00 0.00 N ATOM 0 H LYS A 78 7.601 14.428 -21.503 1.00 0.00 H new ATOM 0 HA LYS A 78 10.159 13.497 -22.463 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.392 15.894 -23.340 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.861 15.438 -24.181 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.837 13.182 -24.666 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.353 13.722 -23.907 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.108 15.518 -25.601 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.630 15.058 -26.337 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.686 12.802 -26.875 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.163 13.266 -26.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.104 13.531 -28.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.951 15.043 -27.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.427 14.594 -28.483 1.00 0.00 H new ATOM 1261 N GLU A 79 9.998 16.518 -21.059 1.00 0.00 N ATOM 1262 CA GLU A 79 10.815 17.683 -20.610 1.00 0.00 C ATOM 1263 C GLU A 79 11.138 17.655 -19.087 1.00 0.00 C ATOM 1264 O GLU A 79 12.292 17.886 -18.710 1.00 0.00 O ATOM 1265 CB GLU A 79 10.074 19.019 -20.878 1.00 0.00 C ATOM 1266 CG GLU A 79 9.483 19.158 -22.297 1.00 0.00 C ATOM 1267 CD GLU A 79 10.574 19.036 -23.358 1.00 0.00 C ATOM 1268 OE1 GLU A 79 11.539 19.844 -23.307 1.00 0.00 O ATOM 1269 OE2 GLU A 79 10.450 18.140 -24.234 1.00 0.00 O ATOM 0 H GLU A 79 9.002 16.614 -20.860 1.00 0.00 H new ATOM 0 HA GLU A 79 11.741 17.612 -21.181 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.268 19.123 -20.152 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.766 19.843 -20.706 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.727 18.389 -22.457 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.983 20.122 -22.394 1.00 0.00 H new ATOM 1276 N GLY A 80 10.142 17.418 -18.210 1.00 0.00 N ATOM 1277 CA GLY A 80 10.378 17.416 -16.749 1.00 0.00 C ATOM 1278 C GLY A 80 9.119 17.362 -15.870 1.00 0.00 C ATOM 1279 O GLY A 80 8.885 18.275 -15.075 1.00 0.00 O ATOM 0 H GLY A 80 9.177 17.228 -18.481 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.008 16.561 -16.503 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.942 18.312 -16.489 1.00 0.00 H new ATOM 1283 N THR A 81 8.336 16.281 -15.977 1.00 0.00 N ATOM 1284 CA THR A 81 7.215 15.985 -15.047 1.00 0.00 C ATOM 1285 C THR A 81 7.505 14.580 -14.424 1.00 0.00 C ATOM 1286 O THR A 81 8.619 14.289 -13.969 1.00 0.00 O ATOM 1287 CB THR A 81 5.825 16.167 -15.660 1.00 0.00 C ATOM 1288 OG1 THR A 81 5.757 15.712 -17.006 1.00 0.00 O ATOM 1289 CG2 THR A 81 5.496 17.677 -15.655 1.00 0.00 C ATOM 0 H THR A 81 8.454 15.580 -16.709 1.00 0.00 H new ATOM 0 HA THR A 81 7.175 16.724 -14.247 1.00 0.00 H new ATOM 0 HB THR A 81 5.120 15.581 -15.070 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.585 14.747 -17.017 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.508 17.836 -16.088 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.507 18.048 -14.630 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.240 18.213 -16.244 1.00 0.00 H new ATOM 1297 N GLY A 82 6.486 13.734 -14.335 1.00 0.00 N ATOM 1298 CA GLY A 82 6.671 12.302 -13.971 1.00 0.00 C ATOM 1299 C GLY A 82 5.357 11.572 -13.715 1.00 0.00 C ATOM 1300 O GLY A 82 4.943 11.329 -12.580 1.00 0.00 O ATOM 0 H GLY A 82 5.516 13.998 -14.507 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.209 11.797 -14.773 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.294 12.238 -13.079 1.00 0.00 H new ATOM 1304 N LYS A 83 4.752 11.192 -14.825 1.00 0.00 N ATOM 1305 CA LYS A 83 3.364 10.663 -14.862 1.00 0.00 C ATOM 1306 C LYS A 83 3.094 9.762 -16.093 1.00 0.00 C ATOM 1307 O LYS A 83 3.692 9.918 -17.164 1.00 0.00 O ATOM 1308 CB LYS A 83 2.328 11.817 -14.887 1.00 0.00 C ATOM 1309 CG LYS A 83 2.555 12.817 -16.037 1.00 0.00 C ATOM 1310 CD LYS A 83 1.649 14.055 -15.979 1.00 0.00 C ATOM 1311 CE LYS A 83 1.975 15.046 -17.105 1.00 0.00 C ATOM 1312 NZ LYS A 83 1.146 16.271 -17.013 1.00 0.00 N ATOM 0 H LYS A 83 5.196 11.234 -15.742 1.00 0.00 H new ATOM 0 HA LYS A 83 3.258 10.066 -13.956 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.327 11.395 -14.974 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.367 12.351 -13.938 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.596 13.141 -16.023 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.393 12.306 -16.986 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.606 13.747 -16.055 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.767 14.548 -15.014 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.030 15.316 -17.058 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.811 14.567 -18.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.394 16.917 -17.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.140 16.016 -17.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.321 16.741 -16.102 1.00 0.00 H new ATOM 1326 N MET A 84 2.108 8.865 -15.950 1.00 0.00 N ATOM 1327 CA MET A 84 1.578 8.086 -17.091 1.00 0.00 C ATOM 1328 C MET A 84 0.075 7.772 -16.828 1.00 0.00 C ATOM 1329 O MET A 84 -0.304 7.303 -15.749 1.00 0.00 O ATOM 1330 CB MET A 84 2.399 6.786 -17.256 1.00 0.00 C ATOM 1331 CG MET A 84 2.276 6.033 -18.591 1.00 0.00 C ATOM 1332 SD MET A 84 3.802 5.086 -18.944 1.00 0.00 S ATOM 1333 CE MET A 84 3.221 3.995 -20.265 1.00 0.00 C ATOM 0 H MET A 84 1.658 8.657 -15.058 1.00 0.00 H new ATOM 0 HA MET A 84 1.662 8.658 -18.015 1.00 0.00 H new ATOM 0 HB2 MET A 84 3.450 7.030 -17.103 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.111 6.103 -16.457 1.00 0.00 H new ATOM 0 HG2 MET A 84 1.422 5.356 -18.555 1.00 0.00 H new ATOM 0 HG3 MET A 84 2.087 6.741 -19.398 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.015 3.859 -21.000 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.947 3.028 -19.844 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.351 4.440 -20.748 1.00 0.00 H new ATOM 1343 N ASN A 85 -0.775 7.979 -17.845 1.00 0.00 N ATOM 1344 CA ASN A 85 -2.235 7.680 -17.766 1.00 0.00 C ATOM 1345 C ASN A 85 -2.578 6.307 -18.443 1.00 0.00 C ATOM 1346 O ASN A 85 -1.738 5.704 -19.123 1.00 0.00 O ATOM 1347 CB ASN A 85 -3.160 8.802 -18.317 1.00 0.00 C ATOM 1348 CG ASN A 85 -2.859 9.095 -19.789 1.00 0.00 C ATOM 1349 OD1 ASN A 85 -3.371 8.405 -20.677 1.00 0.00 O ATOM 1350 ND2 ASN A 85 -1.981 10.111 -20.032 1.00 0.00 N ATOM 0 H ASN A 85 -0.483 8.356 -18.747 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.445 7.621 -16.698 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.203 8.503 -18.209 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.026 9.709 -17.728 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -1.714 10.336 -20.990 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -1.592 10.645 -19.255 1.00 0.00 H new ATOM 1357 N PHE A 86 -3.813 5.786 -18.269 1.00 0.00 N ATOM 1358 CA PHE A 86 -4.193 4.470 -18.880 1.00 0.00 C ATOM 1359 C PHE A 86 -4.404 4.504 -20.435 1.00 0.00 C ATOM 1360 O PHE A 86 -4.389 3.437 -21.049 1.00 0.00 O ATOM 1361 CB PHE A 86 -5.491 3.927 -18.215 1.00 0.00 C ATOM 1362 CG PHE A 86 -5.730 2.459 -18.491 1.00 0.00 C ATOM 1363 CD1 PHE A 86 -4.832 1.495 -18.006 1.00 0.00 C ATOM 1364 CD2 PHE A 86 -6.845 2.029 -19.231 1.00 0.00 C ATOM 1365 CE1 PHE A 86 -5.045 0.131 -18.238 1.00 0.00 C ATOM 1366 CE2 PHE A 86 -7.058 0.666 -19.477 1.00 0.00 C ATOM 1367 CZ PHE A 86 -6.157 -0.284 -18.979 1.00 0.00 C ATOM 0 H PHE A 86 -4.553 6.233 -17.728 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.342 3.815 -18.694 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.433 4.083 -17.138 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.344 4.502 -18.575 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.964 1.810 -17.446 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.545 2.757 -19.614 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.353 -0.599 -17.846 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.916 0.348 -20.050 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.320 -1.335 -19.167 1.00 0.00 H new ATOM 1377 N GLY A 87 -4.642 5.667 -21.074 1.00 0.00 N ATOM 1378 CA GLY A 87 -4.621 5.778 -22.557 1.00 0.00 C ATOM 1379 C GLY A 87 -3.162 5.674 -23.102 1.00 0.00 C ATOM 1380 O GLY A 87 -2.912 4.891 -24.019 1.00 0.00 O ATOM 0 H GLY A 87 -4.851 6.542 -20.594 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.234 4.989 -22.994 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.060 6.728 -22.861 1.00 0.00 H new ATOM 1384 N ASP A 88 -2.199 6.391 -22.482 1.00 0.00 N ATOM 1385 CA ASP A 88 -0.743 6.227 -22.742 1.00 0.00 C ATOM 1386 C ASP A 88 -0.223 4.768 -22.432 1.00 0.00 C ATOM 1387 O ASP A 88 0.395 4.149 -23.304 1.00 0.00 O ATOM 1388 CB ASP A 88 0.151 7.221 -21.954 1.00 0.00 C ATOM 1389 CG ASP A 88 0.203 8.562 -22.684 1.00 0.00 C ATOM 1390 OD1 ASP A 88 0.679 8.575 -23.850 1.00 0.00 O ATOM 1391 OD2 ASP A 88 -0.212 9.590 -22.088 1.00 0.00 O ATOM 0 H ASP A 88 -2.406 7.104 -21.783 1.00 0.00 H new ATOM 0 HA ASP A 88 -0.654 6.437 -23.808 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.244 7.360 -20.947 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.157 6.815 -21.849 1.00 0.00 H new ATOM 1396 N PHE A 89 -0.522 4.196 -21.241 1.00 0.00 N ATOM 1397 CA PHE A 89 -0.153 2.801 -20.861 1.00 0.00 C ATOM 1398 C PHE A 89 -0.792 1.678 -21.733 1.00 0.00 C ATOM 1399 O PHE A 89 -0.062 0.792 -22.190 1.00 0.00 O ATOM 1400 CB PHE A 89 -0.543 2.565 -19.372 1.00 0.00 C ATOM 1401 CG PHE A 89 0.315 1.544 -18.664 1.00 0.00 C ATOM 1402 CD1 PHE A 89 0.080 0.167 -18.816 1.00 0.00 C ATOM 1403 CD2 PHE A 89 1.319 1.964 -17.770 1.00 0.00 C ATOM 1404 CE1 PHE A 89 0.827 -0.769 -18.089 1.00 0.00 C ATOM 1405 CE2 PHE A 89 2.073 1.029 -17.050 1.00 0.00 C ATOM 1406 CZ PHE A 89 1.824 -0.337 -17.207 1.00 0.00 C ATOM 0 H PHE A 89 -1.030 4.690 -20.507 1.00 0.00 H new ATOM 0 HA PHE A 89 0.921 2.727 -21.029 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.478 3.512 -18.836 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.583 2.243 -19.327 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.684 -0.173 -19.500 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.510 3.019 -17.638 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.633 -1.825 -18.209 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.846 1.363 -16.374 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.401 -1.059 -16.648 1.00 0.00 H new ATOM 1416 N LEU A 90 -2.110 1.709 -21.993 1.00 0.00 N ATOM 1417 CA LEU A 90 -2.775 0.715 -22.882 1.00 0.00 C ATOM 1418 C LEU A 90 -2.366 0.824 -24.390 1.00 0.00 C ATOM 1419 O LEU A 90 -2.059 -0.213 -24.979 1.00 0.00 O ATOM 1420 CB LEU A 90 -4.318 0.812 -22.789 1.00 0.00 C ATOM 1421 CG LEU A 90 -5.111 -0.340 -23.454 1.00 0.00 C ATOM 1422 CD1 LEU A 90 -4.849 -1.704 -22.785 1.00 0.00 C ATOM 1423 CD2 LEU A 90 -6.618 -0.019 -23.471 1.00 0.00 C ATOM 0 H LEU A 90 -2.744 2.408 -21.605 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.426 -0.249 -22.513 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.597 0.858 -21.736 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.631 1.752 -23.243 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.754 -0.421 -24.481 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.430 -2.475 -23.291 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.788 -1.945 -22.854 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.143 -1.657 -21.736 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.159 -0.839 -23.942 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.974 0.111 -22.449 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.788 0.899 -24.034 1.00 0.00 H new ATOM 1435 N THR A 91 -2.316 2.020 -25.017 1.00 0.00 N ATOM 1436 CA THR A 91 -1.856 2.165 -26.438 1.00 0.00 C ATOM 1437 C THR A 91 -0.365 1.741 -26.653 1.00 0.00 C ATOM 1438 O THR A 91 -0.106 0.958 -27.571 1.00 0.00 O ATOM 1439 CB THR A 91 -2.094 3.532 -27.067 1.00 0.00 C ATOM 1440 OG1 THR A 91 -1.402 4.568 -26.379 1.00 0.00 O ATOM 1441 CG2 THR A 91 -3.611 3.817 -27.075 1.00 0.00 C ATOM 0 H THR A 91 -2.584 2.900 -24.575 1.00 0.00 H new ATOM 0 HA THR A 91 -2.505 1.464 -26.963 1.00 0.00 H new ATOM 0 HB THR A 91 -1.705 3.515 -28.085 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.857 4.759 -25.532 1.00 0.00 H new ATOM 0 HG21 THR A 91 -3.795 4.793 -27.523 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.122 3.049 -27.655 1.00 0.00 H new ATOM 0 HG23 THR A 91 -3.988 3.810 -26.052 1.00 0.00 H new ATOM 1449 N VAL A 92 0.596 2.217 -25.833 1.00 0.00 N ATOM 1450 CA VAL A 92 2.024 1.773 -25.928 1.00 0.00 C ATOM 1451 C VAL A 92 2.245 0.240 -25.657 1.00 0.00 C ATOM 1452 O VAL A 92 2.912 -0.419 -26.459 1.00 0.00 O ATOM 1453 CB VAL A 92 2.989 2.664 -25.142 1.00 0.00 C ATOM 1454 CG1 VAL A 92 3.038 2.335 -23.633 1.00 0.00 C ATOM 1455 CG2 VAL A 92 4.384 2.603 -25.798 1.00 0.00 C ATOM 0 H VAL A 92 0.422 2.904 -25.099 1.00 0.00 H new ATOM 0 HA VAL A 92 2.279 1.908 -26.979 1.00 0.00 H new ATOM 0 HB VAL A 92 2.615 3.687 -25.188 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.741 3.004 -23.137 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.046 2.465 -23.200 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.361 1.303 -23.496 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.076 3.236 -25.242 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.746 1.575 -25.789 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.318 2.955 -26.827 1.00 0.00 H new ATOM 1465 N MET A 93 1.669 -0.336 -24.583 1.00 0.00 N ATOM 1466 CA MET A 93 1.768 -1.799 -24.296 1.00 0.00 C ATOM 1467 C MET A 93 1.005 -2.721 -25.308 1.00 0.00 C ATOM 1468 O MET A 93 1.597 -3.714 -25.730 1.00 0.00 O ATOM 1469 CB MET A 93 1.324 -2.167 -22.864 1.00 0.00 C ATOM 1470 CG MET A 93 2.178 -1.488 -21.774 1.00 0.00 C ATOM 1471 SD MET A 93 3.934 -1.965 -21.786 1.00 0.00 S ATOM 1472 CE MET A 93 4.468 -0.643 -20.662 1.00 0.00 C ATOM 0 H MET A 93 1.127 0.183 -23.893 1.00 0.00 H new ATOM 0 HA MET A 93 2.835 -1.992 -24.410 1.00 0.00 H new ATOM 0 HB2 MET A 93 0.280 -1.883 -22.729 1.00 0.00 H new ATOM 0 HB3 MET A 93 1.379 -3.248 -22.739 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.107 -0.407 -21.895 1.00 0.00 H new ATOM 0 HG3 MET A 93 1.756 -1.727 -20.798 1.00 0.00 H new ATOM 0 HE1 MET A 93 5.526 -0.768 -20.430 1.00 0.00 H new ATOM 0 HE2 MET A 93 4.313 0.325 -21.139 1.00 0.00 H new ATOM 0 HE3 MET A 93 3.886 -0.691 -19.741 1.00 0.00 H new ATOM 1482 N THR A 94 -0.242 -2.416 -25.739 1.00 0.00 N ATOM 1483 CA THR A 94 -0.917 -3.146 -26.869 1.00 0.00 C ATOM 1484 C THR A 94 -0.101 -3.090 -28.210 1.00 0.00 C ATOM 1485 O THR A 94 0.214 -4.156 -28.743 1.00 0.00 O ATOM 1486 CB THR A 94 -2.379 -2.800 -27.136 1.00 0.00 C ATOM 1487 OG1 THR A 94 -2.573 -1.435 -27.490 1.00 0.00 O ATOM 1488 CG2 THR A 94 -3.209 -3.141 -25.880 1.00 0.00 C ATOM 0 H THR A 94 -0.810 -1.674 -25.331 1.00 0.00 H new ATOM 0 HA THR A 94 -0.930 -4.168 -26.489 1.00 0.00 H new ATOM 0 HB THR A 94 -2.707 -3.391 -27.991 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.428 -0.869 -26.703 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.256 -2.898 -26.059 1.00 0.00 H new ATOM 0 HG22 THR A 94 -3.116 -4.205 -25.660 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.842 -2.562 -25.033 1.00 0.00 H new ATOM 1496 N GLN A 95 0.294 -1.895 -28.717 1.00 0.00 N ATOM 1497 CA GLN A 95 1.170 -1.771 -29.923 1.00 0.00 C ATOM 1498 C GLN A 95 2.582 -2.456 -29.833 1.00 0.00 C ATOM 1499 O GLN A 95 3.018 -3.044 -30.825 1.00 0.00 O ATOM 1500 CB GLN A 95 1.392 -0.275 -30.259 1.00 0.00 C ATOM 1501 CG GLN A 95 2.065 -0.012 -31.619 1.00 0.00 C ATOM 1502 CD GLN A 95 2.175 1.498 -31.858 1.00 0.00 C ATOM 1503 OE1 GLN A 95 1.737 2.312 -31.038 1.00 0.00 O ATOM 1504 NE2 GLN A 95 2.781 1.873 -33.023 1.00 0.00 N ATOM 0 H GLN A 95 0.022 -0.999 -28.313 1.00 0.00 H new ATOM 0 HA GLN A 95 0.623 -2.307 -30.699 1.00 0.00 H new ATOM 0 HB2 GLN A 95 0.428 0.234 -30.242 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.003 0.172 -29.475 1.00 0.00 H new ATOM 0 HG2 GLN A 95 3.056 -0.466 -31.639 1.00 0.00 H new ATOM 0 HG3 GLN A 95 1.486 -0.475 -32.418 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.127 1.164 -33.669 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.888 2.862 -33.247 1.00 0.00 H new ATOM 1513 N LYS A 96 3.295 -2.405 -28.690 1.00 0.00 N ATOM 1514 CA LYS A 96 4.534 -3.219 -28.485 1.00 0.00 C ATOM 1515 C LYS A 96 4.336 -4.767 -28.312 1.00 0.00 C ATOM 1516 O LYS A 96 5.189 -5.513 -28.801 1.00 0.00 O ATOM 1517 CB LYS A 96 5.367 -2.758 -27.276 1.00 0.00 C ATOM 1518 CG LYS A 96 6.025 -1.400 -27.535 1.00 0.00 C ATOM 1519 CD LYS A 96 7.240 -1.110 -26.646 1.00 0.00 C ATOM 1520 CE LYS A 96 8.589 -1.609 -27.206 1.00 0.00 C ATOM 1521 NZ LYS A 96 8.733 -3.083 -27.168 1.00 0.00 N ATOM 0 H LYS A 96 3.046 -1.817 -27.894 1.00 0.00 H new ATOM 0 HA LYS A 96 5.048 -3.042 -29.430 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.728 -2.692 -26.396 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.135 -3.500 -27.057 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.333 -1.352 -28.579 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.284 -0.615 -27.385 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.306 -0.034 -26.485 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.076 -1.569 -25.671 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.695 -1.267 -28.236 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.400 -1.157 -26.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.652 -3.353 -27.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.679 -3.412 -26.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.969 -3.521 -27.721 1.00 0.00 H new ATOM 1535 N MET A 97 3.302 -5.262 -27.600 1.00 0.00 N ATOM 1536 CA MET A 97 3.072 -6.728 -27.415 1.00 0.00 C ATOM 1537 C MET A 97 2.457 -7.461 -28.659 1.00 0.00 C ATOM 1538 O MET A 97 3.078 -8.412 -29.143 1.00 0.00 O ATOM 1539 CB MET A 97 2.138 -7.028 -26.218 1.00 0.00 C ATOM 1540 CG MET A 97 2.765 -6.709 -24.848 1.00 0.00 C ATOM 1541 SD MET A 97 1.648 -7.070 -23.455 1.00 0.00 S ATOM 1542 CE MET A 97 2.871 -6.829 -22.135 1.00 0.00 C ATOM 0 H MET A 97 2.607 -4.675 -27.139 1.00 0.00 H new ATOM 0 HA MET A 97 4.078 -7.110 -27.244 1.00 0.00 H new ATOM 0 HB2 MET A 97 1.220 -6.451 -26.331 1.00 0.00 H new ATOM 0 HB3 MET A 97 1.857 -8.081 -26.243 1.00 0.00 H new ATOM 0 HG2 MET A 97 3.682 -7.286 -24.731 1.00 0.00 H new ATOM 0 HG3 MET A 97 3.045 -5.656 -24.819 1.00 0.00 H new ATOM 0 HE1 MET A 97 2.415 -7.054 -21.171 1.00 0.00 H new ATOM 0 HE2 MET A 97 3.719 -7.494 -22.299 1.00 0.00 H new ATOM 0 HE3 MET A 97 3.214 -5.795 -22.142 1.00 0.00 H new ATOM 1552 N SER A 98 1.253 -7.087 -29.135 1.00 0.00 N ATOM 1553 CA SER A 98 0.702 -7.580 -30.427 1.00 0.00 C ATOM 1554 C SER A 98 1.269 -6.822 -31.662 1.00 0.00 C ATOM 1555 O SER A 98 0.944 -5.611 -31.787 1.00 0.00 O ATOM 1556 CB SER A 98 -0.841 -7.535 -30.469 1.00 0.00 C ATOM 1557 OG SER A 98 -1.322 -6.241 -30.135 1.00 0.00 O ATOM 1558 OXT SER A 98 1.987 -7.452 -32.479 1.00 0.00 O ATOM 0 H SER A 98 0.635 -6.441 -28.645 1.00 0.00 H new ATOM 0 HA SER A 98 1.026 -8.619 -30.485 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.189 -7.811 -31.464 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.249 -8.269 -29.774 1.00 0.00 H new ATOM 0 HG SER A 98 -0.772 -5.563 -30.580 1.00 0.00 H new