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 81 THR OG1 : rot 62:sc= 1.4 USER MOD Set 1.2: A 83 LYS NZ :NH3+ -168:sc= 1.84 (180deg=1.48) USER MOD Set 2.1: A 26 THR OG1 : rot -47:sc= 0.239 USER MOD Set 2.2: A 29 GLN : amide:sc= 1.62 K(o=2.3,f=-2.4!) USER MOD Set 2.3: A 98 SER OG : rot 140:sc= 0.389 USER MOD Single : A 30 LYS NZ :NH3+ -159:sc= 1.09 (180deg=0.249!) 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 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl -171:sc=-0.00307 (180deg=-0.189) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -129:sc= 2.41 (180deg=0.651) USER MOD Single : A 70 LYS NZ :NH3+ 161:sc= 1.22 (180deg=1.1) USER MOD Single : A 71 LYS NZ :NH3+ -152:sc= 1.26 (180deg=0.124) USER MOD Single : A 72 MET CE :methyl -169:sc= -0.461 (180deg=-0.728) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 138:sc= 2.12 (180deg=0.372) USER MOD Single : A 84 MET CE :methyl -172:sc= -0.309 (180deg=-0.321) USER MOD Single : A 85 ASN : amide:sc= 0.326 K(o=0.33,f=-6.5!) USER MOD Single : A 91 THR OG1 : rot -69:sc= 1.23 USER MOD Single : A 93 MET CE :methyl -147:sc= -1.54 (180deg=-1.88) USER MOD Single : A 94 THR OG1 : rot 83:sc= 0.881 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 160:sc= 0.954 (180deg=0.67) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 383 N LEU A 25 -6.117 -7.916 -28.394 1.00 0.00 N ATOM 384 CA LEU A 25 -6.190 -7.946 -26.876 1.00 0.00 C ATOM 385 C LEU A 25 -7.183 -9.077 -26.461 1.00 0.00 C ATOM 386 O LEU A 25 -8.381 -9.011 -26.754 1.00 0.00 O ATOM 387 CB LEU A 25 -6.650 -6.686 -26.085 1.00 0.00 C ATOM 388 CG LEU A 25 -5.617 -5.542 -25.979 1.00 0.00 C ATOM 389 CD1 LEU A 25 -6.291 -4.249 -25.480 1.00 0.00 C ATOM 390 CD2 LEU A 25 -4.431 -5.928 -25.078 1.00 0.00 C ATOM 0 HA LEU A 25 -5.141 -8.070 -26.609 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.551 -6.294 -26.557 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.926 -6.995 -25.077 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.219 -5.361 -26.977 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.548 -3.454 -25.412 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.074 -3.954 -26.178 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.728 -4.423 -24.497 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.726 -5.098 -25.029 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.794 -6.156 -24.076 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.931 -6.804 -25.490 1.00 0.00 H new ATOM 402 N THR A 26 -6.690 -10.094 -25.724 1.00 0.00 N ATOM 403 CA THR A 26 -7.553 -11.129 -25.081 1.00 0.00 C ATOM 404 C THR A 26 -7.385 -11.055 -23.525 1.00 0.00 C ATOM 405 O THR A 26 -7.030 -10.020 -22.951 1.00 0.00 O ATOM 406 CB THR A 26 -7.214 -12.515 -25.625 1.00 0.00 C ATOM 407 OG1 THR A 26 -5.844 -12.853 -25.412 1.00 0.00 O ATOM 408 CG2 THR A 26 -7.523 -12.564 -27.137 1.00 0.00 C ATOM 0 H THR A 26 -5.693 -10.228 -25.554 1.00 0.00 H new ATOM 0 HA THR A 26 -8.599 -10.936 -25.319 1.00 0.00 H new ATOM 0 HB THR A 26 -7.825 -13.240 -25.087 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.276 -12.101 -25.680 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.281 -13.553 -27.526 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.581 -12.359 -27.299 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.925 -11.814 -27.655 1.00 0.00 H new ATOM 416 N GLU A 27 -7.678 -12.161 -22.835 1.00 0.00 N ATOM 417 CA GLU A 27 -7.791 -12.208 -21.362 1.00 0.00 C ATOM 418 C GLU A 27 -6.456 -12.063 -20.550 1.00 0.00 C ATOM 419 O GLU A 27 -6.400 -11.238 -19.633 1.00 0.00 O ATOM 420 CB GLU A 27 -8.503 -13.508 -20.910 1.00 0.00 C ATOM 421 CG GLU A 27 -8.999 -13.528 -19.446 1.00 0.00 C ATOM 422 CD GLU A 27 -10.034 -12.434 -19.199 1.00 0.00 C ATOM 423 OE1 GLU A 27 -10.985 -12.298 -20.013 1.00 0.00 O ATOM 424 OE2 GLU A 27 -9.901 -11.694 -18.188 1.00 0.00 O ATOM 0 H GLU A 27 -7.846 -13.062 -23.282 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.374 -11.317 -21.128 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.357 -13.679 -21.566 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.818 -14.344 -21.053 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.434 -14.502 -19.220 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.154 -13.392 -18.771 1.00 0.00 H new ATOM 431 N GLU A 28 -5.382 -12.793 -20.914 1.00 0.00 N ATOM 432 CA GLU A 28 -4.006 -12.590 -20.364 1.00 0.00 C ATOM 433 C GLU A 28 -3.456 -11.121 -20.475 1.00 0.00 C ATOM 434 O GLU A 28 -3.119 -10.520 -19.452 1.00 0.00 O ATOM 435 CB GLU A 28 -3.021 -13.557 -21.058 1.00 0.00 C ATOM 436 CG GLU A 28 -1.620 -13.624 -20.425 1.00 0.00 C ATOM 437 CD GLU A 28 -0.856 -14.770 -21.083 1.00 0.00 C ATOM 438 OE1 GLU A 28 -0.679 -14.721 -22.329 1.00 0.00 O ATOM 439 OE2 GLU A 28 -0.466 -15.720 -20.354 1.00 0.00 O ATOM 0 H GLU A 28 -5.434 -13.546 -21.600 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.087 -12.797 -19.297 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.454 -14.557 -21.053 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.918 -13.259 -22.102 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.092 -12.682 -20.570 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.696 -13.785 -19.350 1.00 0.00 H new ATOM 446 N GLN A 29 -3.456 -10.526 -21.684 1.00 0.00 N ATOM 447 CA GLN A 29 -3.074 -9.094 -21.910 1.00 0.00 C ATOM 448 C GLN A 29 -3.930 -8.052 -21.093 1.00 0.00 C ATOM 449 O GLN A 29 -3.376 -7.182 -20.414 1.00 0.00 O ATOM 450 CB GLN A 29 -3.187 -8.772 -23.413 1.00 0.00 C ATOM 451 CG GLN A 29 -2.270 -9.652 -24.290 1.00 0.00 C ATOM 452 CD GLN A 29 -2.895 -9.828 -25.677 1.00 0.00 C ATOM 453 OE1 GLN A 29 -3.901 -10.539 -25.804 1.00 0.00 O ATOM 454 NE2 GLN A 29 -2.311 -9.174 -26.722 1.00 0.00 N ATOM 0 H GLN A 29 -3.719 -11.014 -22.540 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.050 -8.994 -21.550 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.221 -8.905 -23.731 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.937 -7.723 -23.574 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.286 -9.192 -24.380 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.125 -10.625 -23.820 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.483 -8.600 -26.565 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.703 -9.259 -27.660 1.00 0.00 H new ATOM 463 N LYS A 30 -5.273 -8.174 -21.159 1.00 0.00 N ATOM 464 CA LYS A 30 -6.251 -7.434 -20.299 1.00 0.00 C ATOM 465 C LYS A 30 -5.945 -7.481 -18.761 1.00 0.00 C ATOM 466 O LYS A 30 -5.853 -6.416 -18.138 1.00 0.00 O ATOM 467 CB LYS A 30 -7.647 -8.059 -20.537 1.00 0.00 C ATOM 468 CG LYS A 30 -8.822 -7.619 -19.648 1.00 0.00 C ATOM 469 CD LYS A 30 -9.987 -8.613 -19.798 1.00 0.00 C ATOM 470 CE LYS A 30 -11.021 -8.550 -18.668 1.00 0.00 C ATOM 471 NZ LYS A 30 -11.829 -9.790 -18.645 1.00 0.00 N ATOM 0 H LYS A 30 -5.728 -8.801 -21.823 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.190 -6.384 -20.585 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.925 -7.860 -21.572 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.545 -9.140 -20.437 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.504 -7.571 -18.606 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.148 -6.617 -19.929 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.491 -8.424 -20.746 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.582 -9.624 -19.848 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.517 -8.418 -17.711 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.671 -7.686 -18.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.724 -9.612 -18.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.030 -10.091 -19.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.301 -10.539 -18.153 1.00 0.00 H new ATOM 485 N GLN A 31 -5.772 -8.681 -18.155 1.00 0.00 N ATOM 486 CA GLN A 31 -5.353 -8.789 -16.733 1.00 0.00 C ATOM 487 C GLN A 31 -3.905 -8.267 -16.458 1.00 0.00 C ATOM 488 O GLN A 31 -3.776 -7.539 -15.483 1.00 0.00 O ATOM 489 CB GLN A 31 -5.544 -10.196 -16.108 1.00 0.00 C ATOM 490 CG GLN A 31 -4.656 -11.311 -16.687 1.00 0.00 C ATOM 491 CD GLN A 31 -5.018 -12.655 -16.048 1.00 0.00 C ATOM 492 OE1 GLN A 31 -5.613 -13.522 -16.697 1.00 0.00 O ATOM 493 NE2 GLN A 31 -4.644 -12.823 -14.745 1.00 0.00 N ATOM 0 H GLN A 31 -5.914 -9.578 -18.620 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.050 -8.120 -16.228 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.355 -10.126 -15.037 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.587 -10.488 -16.229 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.786 -11.366 -17.768 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.606 -11.083 -16.504 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.154 -12.075 -14.254 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.854 -13.697 -14.263 1.00 0.00 H new ATOM 502 N GLU A 32 -2.855 -8.529 -17.265 1.00 0.00 N ATOM 503 CA GLU A 32 -1.495 -7.914 -17.064 1.00 0.00 C ATOM 504 C GLU A 32 -1.471 -6.355 -16.925 1.00 0.00 C ATOM 505 O GLU A 32 -0.902 -5.821 -15.966 1.00 0.00 O ATOM 506 CB GLU A 32 -0.518 -8.279 -18.204 1.00 0.00 C ATOM 507 CG GLU A 32 -0.143 -9.771 -18.214 1.00 0.00 C ATOM 508 CD GLU A 32 0.724 -10.059 -19.435 1.00 0.00 C ATOM 509 OE1 GLU A 32 0.258 -9.781 -20.572 1.00 0.00 O ATOM 510 OE2 GLU A 32 1.866 -10.554 -19.242 1.00 0.00 O ATOM 0 H GLU A 32 -2.907 -9.159 -18.065 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.184 -8.342 -16.111 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.969 -8.016 -19.161 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.389 -7.682 -18.104 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.394 -10.030 -17.302 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.043 -10.385 -18.239 1.00 0.00 H new ATOM 517 N ILE A 33 -2.103 -5.630 -17.864 1.00 0.00 N ATOM 518 CA ILE A 33 -2.126 -4.139 -17.846 1.00 0.00 C ATOM 519 C ILE A 33 -3.099 -3.551 -16.760 1.00 0.00 C ATOM 520 O ILE A 33 -2.701 -2.585 -16.101 1.00 0.00 O ATOM 521 CB ILE A 33 -2.521 -3.653 -19.248 1.00 0.00 C ATOM 522 CG1 ILE A 33 -1.646 -4.297 -20.360 1.00 0.00 C ATOM 523 CG2 ILE A 33 -2.464 -2.118 -19.370 1.00 0.00 C ATOM 524 CD1 ILE A 33 -0.138 -4.046 -20.240 1.00 0.00 C ATOM 0 H ILE A 33 -2.607 -6.043 -18.649 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.132 -3.782 -17.575 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.553 -3.973 -19.391 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.819 -5.373 -20.357 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.983 -3.923 -21.326 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.752 -1.822 -20.379 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.150 -1.670 -18.651 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.450 -1.774 -19.166 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.379 -4.538 -21.064 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.057 -2.974 -20.278 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.223 -4.447 -19.293 1.00 0.00 H new ATOM 536 N ARG A 34 -4.334 -4.082 -16.531 1.00 0.00 N ATOM 537 CA ARG A 34 -5.150 -3.657 -15.360 1.00 0.00 C ATOM 538 C ARG A 34 -4.548 -4.127 -13.996 1.00 0.00 C ATOM 539 O ARG A 34 -4.448 -3.267 -13.127 1.00 0.00 O ATOM 540 CB ARG A 34 -6.623 -4.141 -15.443 1.00 0.00 C ATOM 541 CG ARG A 34 -7.569 -3.622 -14.332 1.00 0.00 C ATOM 542 CD ARG A 34 -8.285 -2.274 -14.576 1.00 0.00 C ATOM 543 NE ARG A 34 -7.321 -1.176 -14.953 1.00 0.00 N ATOM 544 CZ ARG A 34 -7.257 0.046 -14.336 1.00 0.00 C ATOM 545 NH1 ARG A 34 -7.808 0.272 -13.109 1.00 0.00 N ATOM 546 NH2 ARG A 34 -6.625 1.078 -14.973 1.00 0.00 N ATOM 0 H ARG A 34 -4.775 -4.785 -17.124 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.131 -2.568 -15.400 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.030 -3.841 -16.409 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.629 -5.231 -15.419 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.332 -4.381 -14.158 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.991 -3.534 -13.412 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.023 -2.395 -15.369 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.828 -1.985 -13.676 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.673 -1.356 -15.720 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.288 -0.483 -12.619 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.740 1.196 -12.682 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.210 0.932 -15.893 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.568 1.994 -14.528 1.00 0.00 H new ATOM 560 N GLU A 35 -4.095 -5.382 -13.776 1.00 0.00 N ATOM 561 CA GLU A 35 -3.359 -5.783 -12.532 1.00 0.00 C ATOM 562 C GLU A 35 -2.176 -4.834 -12.148 1.00 0.00 C ATOM 563 O GLU A 35 -2.181 -4.333 -11.020 1.00 0.00 O ATOM 564 CB GLU A 35 -2.853 -7.248 -12.599 1.00 0.00 C ATOM 565 CG GLU A 35 -2.329 -7.853 -11.277 1.00 0.00 C ATOM 566 CD GLU A 35 -0.809 -7.748 -11.105 1.00 0.00 C ATOM 567 OE1 GLU A 35 -0.116 -7.226 -12.016 1.00 0.00 O ATOM 568 OE2 GLU A 35 -0.322 -8.224 -10.044 1.00 0.00 O ATOM 0 H GLU A 35 -4.222 -6.145 -14.441 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.105 -5.694 -11.742 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.667 -7.875 -12.963 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.055 -7.301 -13.339 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.815 -7.350 -10.441 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.619 -8.903 -11.229 1.00 0.00 H new ATOM 575 N ALA A 36 -1.265 -4.458 -13.077 1.00 0.00 N ATOM 576 CA ALA A 36 -0.244 -3.411 -12.777 1.00 0.00 C ATOM 577 C ALA A 36 -0.808 -1.962 -12.539 1.00 0.00 C ATOM 578 O ALA A 36 -0.568 -1.363 -11.478 1.00 0.00 O ATOM 579 CB ALA A 36 0.792 -3.306 -13.914 1.00 0.00 C ATOM 0 H ALA A 36 -1.210 -4.848 -14.018 1.00 0.00 H new ATOM 0 HA ALA A 36 0.197 -3.753 -11.841 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.524 -2.536 -13.670 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.299 -4.263 -14.034 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.287 -3.044 -14.844 1.00 0.00 H new ATOM 585 N PHE A 37 -1.568 -1.388 -13.500 1.00 0.00 N ATOM 586 CA PHE A 37 -2.108 -0.001 -13.358 1.00 0.00 C ATOM 587 C PHE A 37 -3.132 0.159 -12.188 1.00 0.00 C ATOM 588 O PHE A 37 -2.969 1.096 -11.413 1.00 0.00 O ATOM 589 CB PHE A 37 -2.806 0.456 -14.663 1.00 0.00 C ATOM 590 CG PHE A 37 -2.835 1.960 -14.780 1.00 0.00 C ATOM 591 CD1 PHE A 37 -3.787 2.740 -14.097 1.00 0.00 C ATOM 592 CD2 PHE A 37 -1.892 2.608 -15.593 1.00 0.00 C ATOM 593 CE1 PHE A 37 -3.778 4.136 -14.207 1.00 0.00 C ATOM 594 CE2 PHE A 37 -1.906 3.994 -15.738 1.00 0.00 C ATOM 595 CZ PHE A 37 -2.830 4.761 -15.022 1.00 0.00 C ATOM 0 H PHE A 37 -1.823 -1.850 -14.373 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.238 0.618 -13.137 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.285 0.034 -15.522 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.825 0.069 -14.686 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.532 2.257 -13.482 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.146 2.025 -16.113 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.501 4.727 -13.664 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.204 4.475 -16.403 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.811 5.838 -15.099 1.00 0.00 H new ATOM 605 N ASP A 38 -4.127 -0.728 -12.025 1.00 0.00 N ATOM 606 CA ASP A 38 -5.011 -0.779 -10.819 1.00 0.00 C ATOM 607 C ASP A 38 -4.252 -1.041 -9.455 1.00 0.00 C ATOM 608 O ASP A 38 -4.644 -0.453 -8.445 1.00 0.00 O ATOM 609 CB ASP A 38 -6.070 -1.905 -11.005 1.00 0.00 C ATOM 610 CG ASP A 38 -7.405 -1.644 -10.309 1.00 0.00 C ATOM 611 OD1 ASP A 38 -7.472 -1.723 -9.058 1.00 0.00 O ATOM 612 OD2 ASP A 38 -8.395 -1.396 -11.058 1.00 0.00 O ATOM 0 H ASP A 38 -4.353 -1.438 -12.721 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.463 0.210 -10.745 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.252 -2.042 -12.071 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.656 -2.841 -10.629 1.00 0.00 H new ATOM 617 N LEU A 39 -3.155 -1.853 -9.389 1.00 0.00 N ATOM 618 CA LEU A 39 -2.278 -1.942 -8.172 1.00 0.00 C ATOM 619 C LEU A 39 -1.744 -0.547 -7.705 1.00 0.00 C ATOM 620 O LEU A 39 -1.838 -0.232 -6.514 1.00 0.00 O ATOM 621 CB LEU A 39 -1.052 -2.882 -8.307 1.00 0.00 C ATOM 622 CG LEU A 39 -1.345 -4.370 -7.992 1.00 0.00 C ATOM 623 CD1 LEU A 39 -0.168 -5.258 -8.439 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.674 -4.613 -6.505 1.00 0.00 C ATOM 0 H LEU A 39 -2.855 -2.453 -10.157 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.956 -2.368 -7.432 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.664 -2.809 -9.323 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.265 -2.531 -7.639 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.235 -4.643 -8.558 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.391 -6.300 -8.210 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.016 -5.147 -9.513 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.737 -4.956 -7.911 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.870 -5.673 -6.344 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.829 -4.303 -5.890 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.556 -4.035 -6.228 1.00 0.00 H new ATOM 636 N PHE A 40 -1.169 0.263 -8.622 1.00 0.00 N ATOM 637 CA PHE A 40 -0.688 1.634 -8.280 1.00 0.00 C ATOM 638 C PHE A 40 -1.842 2.704 -8.239 1.00 0.00 C ATOM 639 O PHE A 40 -1.909 3.484 -7.286 1.00 0.00 O ATOM 640 CB PHE A 40 0.490 2.057 -9.172 1.00 0.00 C ATOM 641 CG PHE A 40 1.587 1.027 -8.992 1.00 0.00 C ATOM 642 CD1 PHE A 40 2.277 0.930 -7.768 1.00 0.00 C ATOM 643 CD2 PHE A 40 1.875 0.089 -9.997 1.00 0.00 C ATOM 644 CE1 PHE A 40 3.235 -0.070 -7.561 1.00 0.00 C ATOM 645 CE2 PHE A 40 2.817 -0.925 -9.788 1.00 0.00 C ATOM 646 CZ PHE A 40 3.501 -1.002 -8.572 1.00 0.00 C ATOM 0 H PHE A 40 -1.025 0.001 -9.597 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.311 1.587 -7.258 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.181 2.110 -10.216 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.845 3.049 -8.894 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.064 1.636 -6.979 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.362 0.151 -10.945 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.768 -0.123 -6.623 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.015 -1.647 -10.566 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.234 -1.779 -8.412 1.00 0.00 H new ATOM 656 N ASP A 41 -2.775 2.724 -9.210 1.00 0.00 N ATOM 657 CA ASP A 41 -4.021 3.541 -9.156 1.00 0.00 C ATOM 658 C ASP A 41 -5.138 2.780 -8.360 1.00 0.00 C ATOM 659 O ASP A 41 -6.060 2.187 -8.932 1.00 0.00 O ATOM 660 CB ASP A 41 -4.538 3.950 -10.568 1.00 0.00 C ATOM 661 CG ASP A 41 -5.633 5.023 -10.535 1.00 0.00 C ATOM 662 OD1 ASP A 41 -6.182 5.316 -9.440 1.00 0.00 O ATOM 663 OD2 ASP A 41 -5.943 5.581 -11.622 1.00 0.00 O ATOM 0 H ASP A 41 -2.693 2.172 -10.064 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.771 4.465 -8.635 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.700 4.317 -11.160 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.923 3.065 -11.075 1.00 0.00 H new ATOM 668 N ALA A 42 -5.028 2.797 -7.021 1.00 0.00 N ATOM 669 CA ALA A 42 -5.928 1.994 -6.131 1.00 0.00 C ATOM 670 C ALA A 42 -7.412 2.478 -6.030 1.00 0.00 C ATOM 671 O ALA A 42 -8.338 1.664 -6.049 1.00 0.00 O ATOM 672 CB ALA A 42 -5.379 1.945 -4.692 1.00 0.00 C ATOM 0 H ALA A 42 -4.333 3.350 -6.519 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.938 1.018 -6.617 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.050 1.357 -4.066 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.390 1.486 -4.695 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.308 2.958 -4.295 1.00 0.00 H new ATOM 678 N ASP A 43 -7.617 3.794 -5.900 1.00 0.00 N ATOM 679 CA ASP A 43 -8.962 4.426 -5.848 1.00 0.00 C ATOM 680 C ASP A 43 -9.698 4.583 -7.228 1.00 0.00 C ATOM 681 O ASP A 43 -10.929 4.651 -7.252 1.00 0.00 O ATOM 682 CB ASP A 43 -8.896 5.856 -5.252 1.00 0.00 C ATOM 683 CG ASP A 43 -8.379 5.804 -3.817 1.00 0.00 C ATOM 684 OD1 ASP A 43 -9.096 5.238 -2.950 1.00 0.00 O ATOM 685 OD2 ASP A 43 -7.260 6.329 -3.569 1.00 0.00 O ATOM 0 H ASP A 43 -6.853 4.466 -5.826 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.523 3.726 -5.229 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.242 6.482 -5.860 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.885 6.313 -5.274 1.00 0.00 H new ATOM 690 N GLY A 44 -8.970 4.674 -8.360 1.00 0.00 N ATOM 691 CA GLY A 44 -9.549 4.962 -9.696 1.00 0.00 C ATOM 692 C GLY A 44 -9.552 6.468 -10.005 1.00 0.00 C ATOM 693 O GLY A 44 -10.611 7.098 -10.000 1.00 0.00 O ATOM 0 H GLY A 44 -7.958 4.550 -8.377 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.978 4.435 -10.461 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.569 4.580 -9.740 1.00 0.00 H new ATOM 697 N THR A 45 -8.360 7.036 -10.247 1.00 0.00 N ATOM 698 CA THR A 45 -8.168 8.515 -10.342 1.00 0.00 C ATOM 699 C THR A 45 -7.443 9.013 -11.638 1.00 0.00 C ATOM 700 O THR A 45 -7.818 10.111 -12.063 1.00 0.00 O ATOM 701 CB THR A 45 -7.501 9.092 -9.089 1.00 0.00 C ATOM 702 OG1 THR A 45 -7.690 10.502 -8.992 1.00 0.00 O ATOM 703 CG2 THR A 45 -5.999 8.751 -8.980 1.00 0.00 C ATOM 0 H THR A 45 -7.503 6.501 -10.383 1.00 0.00 H new ATOM 0 HA THR A 45 -9.184 8.904 -10.413 1.00 0.00 H new ATOM 0 HB THR A 45 -8.001 8.608 -8.250 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.253 10.836 -8.181 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.591 9.191 -8.070 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.873 7.669 -8.948 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.471 9.152 -9.845 1.00 0.00 H new ATOM 711 N GLY A 46 -6.467 8.333 -12.297 1.00 0.00 N ATOM 712 CA GLY A 46 -5.881 8.884 -13.565 1.00 0.00 C ATOM 713 C GLY A 46 -4.452 8.434 -13.896 1.00 0.00 C ATOM 714 O GLY A 46 -4.248 7.780 -14.923 1.00 0.00 O ATOM 0 H GLY A 46 -6.078 7.440 -11.994 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.530 8.603 -14.394 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.893 9.972 -13.505 1.00 0.00 H new ATOM 718 N THR A 47 -3.468 8.891 -13.101 1.00 0.00 N ATOM 719 CA THR A 47 -2.018 8.723 -13.430 1.00 0.00 C ATOM 720 C THR A 47 -1.251 7.823 -12.418 1.00 0.00 C ATOM 721 O THR A 47 -1.431 7.880 -11.198 1.00 0.00 O ATOM 722 CB THR A 47 -1.263 10.038 -13.605 1.00 0.00 C ATOM 723 OG1 THR A 47 -1.372 10.877 -12.461 1.00 0.00 O ATOM 724 CG2 THR A 47 -1.834 10.776 -14.834 1.00 0.00 C ATOM 0 H THR A 47 -3.638 9.381 -12.223 1.00 0.00 H new ATOM 0 HA THR A 47 -2.041 8.218 -14.395 1.00 0.00 H new ATOM 0 HB THR A 47 -0.207 9.806 -13.742 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.873 11.706 -12.615 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.304 11.718 -14.971 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.708 10.156 -15.722 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.894 10.976 -14.678 1.00 0.00 H new ATOM 732 N ILE A 48 -0.340 7.024 -12.992 1.00 0.00 N ATOM 733 CA ILE A 48 0.677 6.237 -12.241 1.00 0.00 C ATOM 734 C ILE A 48 2.006 6.984 -12.610 1.00 0.00 C ATOM 735 O ILE A 48 2.390 7.113 -13.781 1.00 0.00 O ATOM 736 CB ILE A 48 0.746 4.765 -12.668 1.00 0.00 C ATOM 737 CG1 ILE A 48 1.879 4.011 -11.936 1.00 0.00 C ATOM 738 CG2 ILE A 48 0.872 4.612 -14.201 1.00 0.00 C ATOM 739 CD1 ILE A 48 2.054 2.560 -12.393 1.00 0.00 C ATOM 0 H ILE A 48 -0.279 6.897 -14.002 1.00 0.00 H new ATOM 0 HA ILE A 48 0.458 6.190 -11.174 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.199 4.308 -12.374 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.816 4.546 -12.090 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.677 4.023 -10.865 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.918 3.554 -14.459 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.007 5.066 -14.684 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.780 5.108 -14.543 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.867 2.098 -11.834 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.131 2.008 -12.214 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.288 2.539 -13.457 1.00 0.00 H new ATOM 751 N ASP A 49 2.691 7.482 -11.572 1.00 0.00 N ATOM 752 CA ASP A 49 3.849 8.415 -11.735 1.00 0.00 C ATOM 753 C ASP A 49 5.226 7.680 -11.613 1.00 0.00 C ATOM 754 O ASP A 49 5.316 6.588 -11.056 1.00 0.00 O ATOM 755 CB ASP A 49 3.824 9.616 -10.752 1.00 0.00 C ATOM 756 CG ASP A 49 2.670 10.588 -11.042 1.00 0.00 C ATOM 757 OD1 ASP A 49 1.907 10.384 -12.026 1.00 0.00 O ATOM 758 OD2 ASP A 49 2.553 11.576 -10.268 1.00 0.00 O ATOM 0 H ASP A 49 2.473 7.262 -10.600 1.00 0.00 H new ATOM 0 HA ASP A 49 3.739 8.808 -12.746 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.734 9.244 -9.731 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.771 10.152 -10.814 1.00 0.00 H new ATOM 763 N VAL A 50 6.305 8.287 -12.158 1.00 0.00 N ATOM 764 CA VAL A 50 7.668 7.659 -12.343 1.00 0.00 C ATOM 765 C VAL A 50 8.237 6.795 -11.171 1.00 0.00 C ATOM 766 O VAL A 50 8.853 5.777 -11.479 1.00 0.00 O ATOM 767 CB VAL A 50 8.740 8.641 -12.799 1.00 0.00 C ATOM 768 CG1 VAL A 50 8.528 8.911 -14.304 1.00 0.00 C ATOM 769 CG2 VAL A 50 8.713 9.921 -11.936 1.00 0.00 C ATOM 0 H VAL A 50 6.269 9.249 -12.495 1.00 0.00 H new ATOM 0 HA VAL A 50 7.437 6.953 -13.140 1.00 0.00 H new ATOM 0 HB VAL A 50 9.738 8.223 -12.663 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.284 9.613 -14.658 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.614 7.976 -14.857 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.537 9.336 -14.461 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.487 10.608 -12.279 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.738 10.399 -12.025 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.896 9.661 -10.893 1.00 0.00 H new ATOM 779 N LYS A 51 8.056 7.112 -9.878 1.00 0.00 N ATOM 780 CA LYS A 51 8.407 6.166 -8.763 1.00 0.00 C ATOM 781 C LYS A 51 7.665 4.761 -8.838 1.00 0.00 C ATOM 782 O LYS A 51 8.272 3.691 -9.021 1.00 0.00 O ATOM 783 CB LYS A 51 8.077 6.770 -7.371 1.00 0.00 C ATOM 784 CG LYS A 51 8.449 8.253 -7.189 1.00 0.00 C ATOM 785 CD LYS A 51 7.686 8.884 -6.009 1.00 0.00 C ATOM 786 CE LYS A 51 7.771 10.417 -5.986 1.00 0.00 C ATOM 787 NZ LYS A 51 6.839 10.989 -4.985 1.00 0.00 N ATOM 0 H LYS A 51 7.673 8.004 -9.563 1.00 0.00 H new ATOM 0 HA LYS A 51 9.478 6.008 -8.890 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.008 6.656 -7.189 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.594 6.187 -6.609 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.522 8.342 -7.020 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.224 8.801 -8.104 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.639 8.585 -6.060 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.085 8.490 -5.074 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.791 10.724 -5.755 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.535 10.812 -6.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.917 12.026 -4.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.864 10.714 -5.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.081 10.629 -4.040 1.00 0.00 H new ATOM 801 N GLU A 52 6.324 4.832 -8.785 1.00 0.00 N ATOM 802 CA GLU A 52 5.395 3.684 -8.951 1.00 0.00 C ATOM 803 C GLU A 52 5.413 3.070 -10.393 1.00 0.00 C ATOM 804 O GLU A 52 5.425 1.844 -10.520 1.00 0.00 O ATOM 805 CB GLU A 52 3.923 4.094 -8.694 1.00 0.00 C ATOM 806 CG GLU A 52 3.701 5.046 -7.504 1.00 0.00 C ATOM 807 CD GLU A 52 3.738 6.493 -7.996 1.00 0.00 C ATOM 808 OE1 GLU A 52 2.806 6.877 -8.751 1.00 0.00 O ATOM 809 OE2 GLU A 52 4.710 7.216 -7.653 1.00 0.00 O ATOM 0 H GLU A 52 5.835 5.712 -8.621 1.00 0.00 H new ATOM 0 HA GLU A 52 5.750 2.954 -8.224 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.533 4.568 -9.595 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.335 3.191 -8.530 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.742 4.836 -7.030 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.471 4.887 -6.749 1.00 0.00 H new ATOM 816 N LEU A 53 5.474 3.880 -11.476 1.00 0.00 N ATOM 817 CA LEU A 53 5.716 3.376 -12.850 1.00 0.00 C ATOM 818 C LEU A 53 7.096 2.652 -13.048 1.00 0.00 C ATOM 819 O LEU A 53 7.116 1.619 -13.707 1.00 0.00 O ATOM 820 CB LEU A 53 5.612 4.534 -13.866 1.00 0.00 C ATOM 821 CG LEU A 53 5.594 4.129 -15.356 1.00 0.00 C ATOM 822 CD1 LEU A 53 4.395 3.230 -15.719 1.00 0.00 C ATOM 823 CD2 LEU A 53 5.632 5.388 -16.241 1.00 0.00 C ATOM 0 H LEU A 53 5.358 4.892 -11.424 1.00 0.00 H new ATOM 0 HA LEU A 53 4.943 2.626 -13.020 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.704 5.098 -13.652 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.452 5.210 -13.704 1.00 0.00 H new ATOM 0 HG LEU A 53 6.486 3.531 -15.542 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.437 2.978 -16.779 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.434 2.315 -15.127 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.466 3.760 -15.508 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.619 5.095 -17.291 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.763 6.010 -16.027 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.541 5.952 -16.033 1.00 0.00 H new ATOM 835 N LYS A 54 8.226 3.108 -12.471 1.00 0.00 N ATOM 836 CA LYS A 54 9.514 2.345 -12.451 1.00 0.00 C ATOM 837 C LYS A 54 9.443 0.927 -11.811 1.00 0.00 C ATOM 838 O LYS A 54 9.878 -0.033 -12.454 1.00 0.00 O ATOM 839 CB LYS A 54 10.633 3.143 -11.740 1.00 0.00 C ATOM 840 CG LYS A 54 12.047 2.553 -11.880 1.00 0.00 C ATOM 841 CD LYS A 54 13.123 3.466 -11.272 1.00 0.00 C ATOM 842 CE LYS A 54 14.546 2.916 -11.445 1.00 0.00 C ATOM 843 NZ LYS A 54 15.555 3.837 -10.869 1.00 0.00 N ATOM 0 H LYS A 54 8.283 4.013 -12.004 1.00 0.00 H new ATOM 0 HA LYS A 54 9.739 2.203 -13.508 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.640 4.159 -12.134 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.389 3.214 -10.680 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.082 1.579 -11.392 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.267 2.389 -12.935 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.061 4.450 -11.737 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.919 3.601 -10.210 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.623 1.942 -10.962 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.753 2.764 -12.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.506 3.437 -11.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.497 4.759 -11.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.371 3.962 -9.853 1.00 0.00 H new ATOM 857 N VAL A 55 8.896 0.771 -10.584 1.00 0.00 N ATOM 858 CA VAL A 55 8.603 -0.607 -10.040 1.00 0.00 C ATOM 859 C VAL A 55 7.557 -1.417 -10.900 1.00 0.00 C ATOM 860 O VAL A 55 7.702 -2.638 -11.048 1.00 0.00 O ATOM 861 CB VAL A 55 8.241 -0.628 -8.561 1.00 0.00 C ATOM 862 CG1 VAL A 55 9.478 -0.172 -7.757 1.00 0.00 C ATOM 863 CG2 VAL A 55 7.016 0.254 -8.264 1.00 0.00 C ATOM 0 H VAL A 55 8.650 1.540 -9.960 1.00 0.00 H new ATOM 0 HA VAL A 55 9.557 -1.127 -10.129 1.00 0.00 H new ATOM 0 HB VAL A 55 7.963 -1.640 -8.266 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.243 -0.179 -6.693 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.308 -0.852 -7.950 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.757 0.837 -8.060 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.788 0.214 -7.199 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.231 1.284 -8.550 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.160 -0.109 -8.832 1.00 0.00 H new ATOM 873 N ALA A 56 6.577 -0.735 -11.522 1.00 0.00 N ATOM 874 CA ALA A 56 5.667 -1.355 -12.537 1.00 0.00 C ATOM 875 C ALA A 56 6.386 -1.861 -13.842 1.00 0.00 C ATOM 876 O ALA A 56 6.154 -2.989 -14.278 1.00 0.00 O ATOM 877 CB ALA A 56 4.537 -0.410 -12.991 1.00 0.00 C ATOM 0 H ALA A 56 6.385 0.251 -11.347 1.00 0.00 H new ATOM 0 HA ALA A 56 5.265 -2.211 -11.996 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.912 -0.917 -13.726 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.930 -0.129 -12.130 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.969 0.485 -13.438 1.00 0.00 H new ATOM 883 N MET A 57 7.289 -1.043 -14.420 1.00 0.00 N ATOM 884 CA MET A 57 8.209 -1.434 -15.526 1.00 0.00 C ATOM 885 C MET A 57 9.209 -2.588 -15.179 1.00 0.00 C ATOM 886 O MET A 57 9.498 -3.400 -16.059 1.00 0.00 O ATOM 887 CB MET A 57 9.011 -0.249 -16.089 1.00 0.00 C ATOM 888 CG MET A 57 8.193 0.935 -16.658 1.00 0.00 C ATOM 889 SD MET A 57 6.628 0.521 -17.496 1.00 0.00 S ATOM 890 CE MET A 57 6.556 2.064 -18.447 1.00 0.00 C ATOM 0 H MET A 57 7.407 -0.072 -14.131 1.00 0.00 H new ATOM 0 HA MET A 57 7.521 -1.809 -16.283 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.656 0.132 -15.297 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.662 -0.623 -16.879 1.00 0.00 H new ATOM 0 HG2 MET A 57 7.970 1.619 -15.839 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.824 1.477 -17.363 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.588 2.141 -18.943 1.00 0.00 H new ATOM 0 HE2 MET A 57 6.688 2.912 -17.775 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.348 2.067 -19.195 1.00 0.00 H new ATOM 900 N ARG A 58 9.732 -2.688 -13.938 1.00 0.00 N ATOM 901 CA ARG A 58 10.509 -3.885 -13.488 1.00 0.00 C ATOM 902 C ARG A 58 9.661 -5.213 -13.486 1.00 0.00 C ATOM 903 O ARG A 58 10.123 -6.202 -14.057 1.00 0.00 O ATOM 904 CB ARG A 58 11.062 -3.717 -12.055 1.00 0.00 C ATOM 905 CG ARG A 58 12.127 -2.612 -11.929 1.00 0.00 C ATOM 906 CD ARG A 58 12.556 -2.342 -10.480 1.00 0.00 C ATOM 907 NE ARG A 58 13.136 -3.600 -9.900 1.00 0.00 N ATOM 908 CZ ARG A 58 13.430 -3.750 -8.571 1.00 0.00 C ATOM 909 NH1 ARG A 58 13.238 -2.723 -7.693 1.00 0.00 N ATOM 910 NH2 ARG A 58 13.919 -4.944 -8.122 1.00 0.00 N ATOM 0 H ARG A 58 9.636 -1.964 -13.226 1.00 0.00 H new ATOM 0 HA ARG A 58 11.318 -3.961 -14.214 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.236 -3.492 -11.380 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.492 -4.663 -11.728 1.00 0.00 H new ATOM 0 HG2 ARG A 58 13.003 -2.894 -12.513 1.00 0.00 H new ATOM 0 HG3 ARG A 58 11.737 -1.691 -12.363 1.00 0.00 H new ATOM 0 HD2 ARG A 58 13.292 -1.539 -10.449 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.701 -2.014 -9.889 1.00 0.00 H new ATOM 0 HE ARG A 58 13.320 -4.382 -10.528 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.871 -1.831 -8.024 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.461 -2.848 -6.706 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.062 -5.714 -8.775 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.141 -5.065 -7.134 1.00 0.00 H new ATOM 924 N ALA A 59 8.439 -5.246 -12.896 1.00 0.00 N ATOM 925 CA ALA A 59 7.503 -6.399 -13.050 1.00 0.00 C ATOM 926 C ALA A 59 6.979 -6.704 -14.502 1.00 0.00 C ATOM 927 O ALA A 59 7.027 -7.861 -14.925 1.00 0.00 O ATOM 928 CB ALA A 59 6.251 -6.201 -12.173 1.00 0.00 C ATOM 0 H ALA A 59 8.076 -4.493 -12.311 1.00 0.00 H new ATOM 0 HA ALA A 59 8.123 -7.244 -12.750 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.581 -7.051 -12.299 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.548 -6.124 -11.127 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.738 -5.287 -12.472 1.00 0.00 H new ATOM 934 N LEU A 60 6.489 -5.702 -15.258 1.00 0.00 N ATOM 935 CA LEU A 60 5.964 -5.896 -16.648 1.00 0.00 C ATOM 936 C LEU A 60 7.019 -5.996 -17.798 1.00 0.00 C ATOM 937 O LEU A 60 6.698 -6.566 -18.840 1.00 0.00 O ATOM 938 CB LEU A 60 4.955 -4.760 -16.958 1.00 0.00 C ATOM 939 CG LEU A 60 4.040 -4.939 -18.196 1.00 0.00 C ATOM 940 CD1 LEU A 60 3.248 -6.262 -18.195 1.00 0.00 C ATOM 941 CD2 LEU A 60 3.077 -3.745 -18.310 1.00 0.00 C ATOM 0 H LEU A 60 6.441 -4.735 -14.936 1.00 0.00 H new ATOM 0 HA LEU A 60 5.501 -6.883 -16.639 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.317 -4.628 -16.084 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.517 -3.835 -17.085 1.00 0.00 H new ATOM 0 HG LEU A 60 4.698 -4.979 -19.064 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.630 -6.317 -19.091 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.943 -7.102 -18.181 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.610 -6.304 -17.312 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.436 -3.876 -19.182 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.461 -3.687 -17.413 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.650 -2.824 -18.416 1.00 0.00 H new ATOM 953 N GLY A 61 8.238 -5.440 -17.649 1.00 0.00 N ATOM 954 CA GLY A 61 9.299 -5.472 -18.692 1.00 0.00 C ATOM 955 C GLY A 61 9.670 -6.836 -19.323 1.00 0.00 C ATOM 956 O GLY A 61 9.838 -6.890 -20.543 1.00 0.00 O ATOM 0 H GLY A 61 8.522 -4.952 -16.799 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.992 -4.806 -19.498 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.205 -5.050 -18.257 1.00 0.00 H new ATOM 960 N PHE A 62 9.764 -7.907 -18.509 1.00 0.00 N ATOM 961 CA PHE A 62 9.899 -9.318 -18.970 1.00 0.00 C ATOM 962 C PHE A 62 11.393 -9.658 -19.231 1.00 0.00 C ATOM 963 O PHE A 62 12.112 -8.930 -19.923 1.00 0.00 O ATOM 964 CB PHE A 62 9.089 -9.793 -20.213 1.00 0.00 C ATOM 965 CG PHE A 62 7.609 -9.539 -20.100 1.00 0.00 C ATOM 966 CD1 PHE A 62 6.862 -10.017 -19.007 1.00 0.00 C ATOM 967 CD2 PHE A 62 6.936 -8.867 -21.138 1.00 0.00 C ATOM 968 CE1 PHE A 62 5.476 -9.820 -18.952 1.00 0.00 C ATOM 969 CE2 PHE A 62 5.552 -8.673 -21.085 1.00 0.00 C ATOM 970 CZ PHE A 62 4.822 -9.150 -19.993 1.00 0.00 C ATOM 0 H PHE A 62 9.749 -7.822 -17.493 1.00 0.00 H new ATOM 0 HA PHE A 62 9.453 -9.857 -18.134 1.00 0.00 H new ATOM 0 HB2 PHE A 62 9.470 -9.286 -21.100 1.00 0.00 H new ATOM 0 HB3 PHE A 62 9.256 -10.860 -20.359 1.00 0.00 H new ATOM 0 HD1 PHE A 62 7.361 -10.540 -18.204 1.00 0.00 H new ATOM 0 HD2 PHE A 62 7.495 -8.497 -21.985 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.912 -10.185 -18.106 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.048 -8.155 -21.887 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.753 -9.002 -19.952 1.00 0.00 H new ATOM 980 N GLU A 63 11.799 -10.846 -18.761 1.00 0.00 N ATOM 981 CA GLU A 63 13.212 -11.345 -18.960 1.00 0.00 C ATOM 982 C GLU A 63 13.737 -11.331 -20.453 1.00 0.00 C ATOM 983 O GLU A 63 14.817 -10.743 -20.602 1.00 0.00 O ATOM 984 CB GLU A 63 13.453 -12.744 -18.348 1.00 0.00 C ATOM 985 CG GLU A 63 13.124 -12.801 -16.846 1.00 0.00 C ATOM 986 CD GLU A 63 13.492 -14.182 -16.308 1.00 0.00 C ATOM 987 OE1 GLU A 63 14.702 -14.532 -16.363 1.00 0.00 O ATOM 988 OE2 GLU A 63 12.571 -14.903 -15.844 1.00 0.00 O ATOM 0 H GLU A 63 11.197 -11.488 -18.245 1.00 0.00 H new ATOM 0 HA GLU A 63 13.797 -10.604 -18.416 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.844 -13.477 -18.877 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.495 -13.027 -18.498 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.676 -12.029 -16.310 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.064 -12.605 -16.685 1.00 0.00 H new ATOM 995 N PRO A 64 13.113 -11.827 -21.573 1.00 0.00 N ATOM 996 CA PRO A 64 13.600 -11.556 -22.960 1.00 0.00 C ATOM 997 C PRO A 64 13.886 -10.047 -23.286 1.00 0.00 C ATOM 998 O PRO A 64 12.972 -9.212 -23.320 1.00 0.00 O ATOM 999 CB PRO A 64 12.479 -12.108 -23.853 1.00 0.00 C ATOM 1000 CG PRO A 64 11.810 -13.192 -22.995 1.00 0.00 C ATOM 1001 CD PRO A 64 11.886 -12.616 -21.577 1.00 0.00 C ATOM 0 HA PRO A 64 14.572 -12.024 -23.115 1.00 0.00 H new ATOM 0 HB2 PRO A 64 11.771 -11.327 -24.131 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.876 -12.523 -24.779 1.00 0.00 H new ATOM 0 HG2 PRO A 64 10.779 -13.369 -23.302 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.334 -14.145 -23.071 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.016 -11.999 -21.351 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.919 -13.407 -20.828 1.00 0.00 H new ATOM 1009 N LYS A 65 15.167 -9.704 -23.510 1.00 0.00 N ATOM 1010 CA LYS A 65 15.609 -8.282 -23.606 1.00 0.00 C ATOM 1011 C LYS A 65 15.237 -7.556 -24.942 1.00 0.00 C ATOM 1012 O LYS A 65 16.012 -7.493 -25.899 1.00 0.00 O ATOM 1013 CB LYS A 65 17.135 -8.150 -23.387 1.00 0.00 C ATOM 1014 CG LYS A 65 17.589 -8.738 -22.037 1.00 0.00 C ATOM 1015 CD LYS A 65 19.111 -8.716 -21.805 1.00 0.00 C ATOM 1016 CE LYS A 65 19.693 -7.307 -21.623 1.00 0.00 C ATOM 1017 NZ LYS A 65 21.145 -7.363 -21.323 1.00 0.00 N ATOM 0 H LYS A 65 15.920 -10.382 -23.629 1.00 0.00 H new ATOM 0 HA LYS A 65 15.053 -7.786 -22.810 1.00 0.00 H new ATOM 0 HB2 LYS A 65 17.660 -8.657 -24.196 1.00 0.00 H new ATOM 0 HB3 LYS A 65 17.416 -7.098 -23.435 1.00 0.00 H new ATOM 0 HG2 LYS A 65 17.105 -8.183 -21.233 1.00 0.00 H new ATOM 0 HG3 LYS A 65 17.240 -9.768 -21.969 1.00 0.00 H new ATOM 0 HD2 LYS A 65 19.342 -9.311 -20.921 1.00 0.00 H new ATOM 0 HD3 LYS A 65 19.604 -9.196 -22.650 1.00 0.00 H new ATOM 0 HE2 LYS A 65 19.528 -6.722 -22.528 1.00 0.00 H new ATOM 0 HE3 LYS A 65 19.171 -6.796 -20.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 21.513 -6.397 -21.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 21.298 -7.901 -20.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 21.644 -7.830 -22.107 1.00 0.00 H new ATOM 1031 N LYS A 66 14.045 -6.947 -24.938 1.00 0.00 N ATOM 1032 CA LYS A 66 13.571 -6.021 -26.000 1.00 0.00 C ATOM 1033 C LYS A 66 13.661 -4.557 -25.452 1.00 0.00 C ATOM 1034 O LYS A 66 13.180 -4.279 -24.346 1.00 0.00 O ATOM 1035 CB LYS A 66 12.098 -6.345 -26.361 1.00 0.00 C ATOM 1036 CG LYS A 66 11.521 -5.611 -27.586 1.00 0.00 C ATOM 1037 CD LYS A 66 10.182 -6.211 -28.067 1.00 0.00 C ATOM 1038 CE LYS A 66 8.977 -5.958 -27.142 1.00 0.00 C ATOM 1039 NZ LYS A 66 8.521 -4.556 -27.230 1.00 0.00 N ATOM 0 H LYS A 66 13.365 -7.079 -24.190 1.00 0.00 H new ATOM 0 HA LYS A 66 14.187 -6.132 -26.893 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.016 -7.418 -26.534 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.475 -6.113 -25.498 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.375 -4.560 -27.338 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.244 -5.649 -28.401 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.954 -5.805 -29.052 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.307 -7.287 -28.187 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.160 -6.627 -27.414 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.250 -6.190 -26.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.444 -4.155 -26.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.206 -4.002 -27.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.592 -4.522 -27.695 1.00 0.00 H new ATOM 1053 N GLU A 67 14.257 -3.610 -26.211 1.00 0.00 N ATOM 1054 CA GLU A 67 14.366 -2.186 -25.758 1.00 0.00 C ATOM 1055 C GLU A 67 12.990 -1.434 -25.854 1.00 0.00 C ATOM 1056 O GLU A 67 12.668 -0.773 -26.850 1.00 0.00 O ATOM 1057 CB GLU A 67 15.350 -1.311 -26.566 1.00 0.00 C ATOM 1058 CG GLU A 67 16.836 -1.658 -26.407 1.00 0.00 C ATOM 1059 CD GLU A 67 17.624 -0.508 -27.030 1.00 0.00 C ATOM 1060 OE1 GLU A 67 17.449 -0.272 -28.258 1.00 0.00 O ATOM 1061 OE2 GLU A 67 18.353 0.195 -26.279 1.00 0.00 O ATOM 0 H GLU A 67 14.667 -3.792 -27.127 1.00 0.00 H new ATOM 0 HA GLU A 67 14.726 -2.295 -24.735 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.090 -1.385 -27.622 1.00 0.00 H new ATOM 0 HB3 GLU A 67 15.206 -0.271 -26.274 1.00 0.00 H new ATOM 0 HG2 GLU A 67 17.095 -1.779 -25.355 1.00 0.00 H new ATOM 0 HG3 GLU A 67 17.069 -2.600 -26.903 1.00 0.00 H new ATOM 1068 N GLU A 68 12.214 -1.528 -24.765 1.00 0.00 N ATOM 1069 CA GLU A 68 10.900 -0.860 -24.622 1.00 0.00 C ATOM 1070 C GLU A 68 10.863 0.047 -23.357 1.00 0.00 C ATOM 1071 O GLU A 68 10.681 1.253 -23.510 1.00 0.00 O ATOM 1072 CB GLU A 68 9.735 -1.867 -24.570 1.00 0.00 C ATOM 1073 CG GLU A 68 8.351 -1.189 -24.560 1.00 0.00 C ATOM 1074 CD GLU A 68 7.242 -2.202 -24.815 1.00 0.00 C ATOM 1075 OE1 GLU A 68 7.568 -3.396 -25.039 1.00 0.00 O ATOM 1076 OE2 GLU A 68 6.055 -1.788 -24.816 1.00 0.00 O ATOM 0 H GLU A 68 12.479 -2.075 -23.946 1.00 0.00 H new ATOM 0 HA GLU A 68 10.773 -0.241 -25.510 1.00 0.00 H new ATOM 0 HB2 GLU A 68 9.800 -2.534 -25.430 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.837 -2.486 -23.678 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.188 -0.701 -23.599 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.319 -0.410 -25.322 1.00 0.00 H new ATOM 1083 N ILE A 69 11.059 -0.475 -22.128 1.00 0.00 N ATOM 1084 CA ILE A 69 10.878 0.319 -20.856 1.00 0.00 C ATOM 1085 C ILE A 69 11.808 1.595 -20.744 1.00 0.00 C ATOM 1086 O ILE A 69 11.358 2.652 -20.294 1.00 0.00 O ATOM 1087 CB ILE A 69 11.312 -0.632 -19.736 1.00 0.00 C ATOM 1088 CG1 ILE A 69 10.389 -1.881 -19.643 1.00 0.00 C ATOM 1089 CG2 ILE A 69 11.521 0.094 -18.387 1.00 0.00 C ATOM 1090 CD1 ILE A 69 8.881 -1.600 -19.670 1.00 0.00 C ATOM 0 H ILE A 69 11.343 -1.442 -21.971 1.00 0.00 H new ATOM 0 HA ILE A 69 9.848 0.673 -20.814 1.00 0.00 H new ATOM 0 HB ILE A 69 12.297 -1.014 -20.003 1.00 0.00 H new ATOM 0 HG12 ILE A 69 10.630 -2.550 -20.469 1.00 0.00 H new ATOM 0 HG13 ILE A 69 10.624 -2.415 -18.722 1.00 0.00 H new ATOM 0 HG21 ILE A 69 11.828 -0.627 -17.629 1.00 0.00 H new ATOM 0 HG22 ILE A 69 12.294 0.854 -18.499 1.00 0.00 H new ATOM 0 HG23 ILE A 69 10.588 0.568 -18.081 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.334 -2.540 -19.599 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.615 -0.961 -18.828 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.621 -1.098 -20.602 1.00 0.00 H new ATOM 1102 N LYS A 70 13.070 1.497 -21.202 1.00 0.00 N ATOM 1103 CA LYS A 70 14.012 2.644 -21.382 1.00 0.00 C ATOM 1104 C LYS A 70 13.493 3.759 -22.374 1.00 0.00 C ATOM 1105 O LYS A 70 13.475 4.951 -22.044 1.00 0.00 O ATOM 1106 CB LYS A 70 15.303 2.028 -21.993 1.00 0.00 C ATOM 1107 CG LYS A 70 16.397 2.964 -22.540 1.00 0.00 C ATOM 1108 CD LYS A 70 17.507 2.153 -23.241 1.00 0.00 C ATOM 1109 CE LYS A 70 18.476 3.002 -24.077 1.00 0.00 C ATOM 1110 NZ LYS A 70 19.466 2.151 -24.777 1.00 0.00 N ATOM 0 H LYS A 70 13.483 0.603 -21.466 1.00 0.00 H new ATOM 0 HA LYS A 70 14.150 3.134 -20.418 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.761 1.401 -21.228 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.999 1.369 -22.806 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.959 3.673 -23.243 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.825 3.547 -21.725 1.00 0.00 H new ATOM 0 HD2 LYS A 70 18.076 1.610 -22.486 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.044 1.408 -23.888 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.915 3.587 -24.806 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.994 3.710 -23.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.889 2.685 -25.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 20.212 1.867 -24.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.993 1.303 -25.149 1.00 0.00 H new ATOM 1124 N LYS A 71 13.052 3.350 -23.580 1.00 0.00 N ATOM 1125 CA LYS A 71 12.355 4.248 -24.541 1.00 0.00 C ATOM 1126 C LYS A 71 10.950 4.748 -24.074 1.00 0.00 C ATOM 1127 O LYS A 71 10.655 5.907 -24.345 1.00 0.00 O ATOM 1128 CB LYS A 71 12.260 3.591 -25.935 1.00 0.00 C ATOM 1129 CG LYS A 71 13.666 3.308 -26.498 1.00 0.00 C ATOM 1130 CD LYS A 71 13.705 2.494 -27.799 1.00 0.00 C ATOM 1131 CE LYS A 71 15.152 2.130 -28.167 1.00 0.00 C ATOM 1132 NZ LYS A 71 15.234 1.063 -29.191 1.00 0.00 N ATOM 0 H LYS A 71 13.165 2.395 -23.920 1.00 0.00 H new ATOM 0 HA LYS A 71 12.976 5.142 -24.593 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.696 2.661 -25.867 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.715 4.246 -26.615 1.00 0.00 H new ATOM 0 HG2 LYS A 71 14.168 4.260 -26.670 1.00 0.00 H new ATOM 0 HG3 LYS A 71 14.242 2.777 -25.740 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.114 1.585 -27.684 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.252 3.068 -28.607 1.00 0.00 H new ATOM 0 HE2 LYS A 71 15.663 3.020 -28.535 1.00 0.00 H new ATOM 0 HE3 LYS A 71 15.680 1.807 -27.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 16.122 0.535 -29.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.428 0.415 -29.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.210 1.489 -30.139 1.00 0.00 H new ATOM 1146 N MET A 72 10.124 3.974 -23.336 1.00 0.00 N ATOM 1147 CA MET A 72 8.876 4.487 -22.688 1.00 0.00 C ATOM 1148 C MET A 72 9.176 5.675 -21.714 1.00 0.00 C ATOM 1149 O MET A 72 8.618 6.746 -21.947 1.00 0.00 O ATOM 1150 CB MET A 72 8.137 3.354 -21.958 1.00 0.00 C ATOM 1151 CG MET A 72 6.617 3.574 -21.907 1.00 0.00 C ATOM 1152 SD MET A 72 5.663 2.028 -21.915 1.00 0.00 S ATOM 1153 CE MET A 72 6.030 1.515 -23.620 1.00 0.00 C ATOM 0 H MET A 72 10.293 2.982 -23.168 1.00 0.00 H new ATOM 0 HA MET A 72 8.229 4.868 -23.478 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.347 2.408 -22.457 1.00 0.00 H new ATOM 0 HB3 MET A 72 8.522 3.270 -20.942 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.369 4.140 -21.009 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.317 4.182 -22.760 1.00 0.00 H new ATOM 0 HE1 MET A 72 5.382 0.683 -23.897 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.856 2.351 -24.297 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.072 1.202 -23.690 1.00 0.00 H new ATOM 1163 N ILE A 73 10.067 5.560 -20.697 1.00 0.00 N ATOM 1164 CA ILE A 73 10.412 6.714 -19.785 1.00 0.00 C ATOM 1165 C ILE A 73 10.981 7.971 -20.530 1.00 0.00 C ATOM 1166 O ILE A 73 10.567 9.091 -20.212 1.00 0.00 O ATOM 1167 CB ILE A 73 11.337 6.285 -18.645 1.00 0.00 C ATOM 1168 CG1 ILE A 73 10.771 5.056 -17.875 1.00 0.00 C ATOM 1169 CG2 ILE A 73 11.603 7.460 -17.675 1.00 0.00 C ATOM 1170 CD1 ILE A 73 9.408 5.266 -17.200 1.00 0.00 C ATOM 0 H ILE A 73 10.562 4.696 -20.478 1.00 0.00 H new ATOM 0 HA ILE A 73 9.460 7.027 -19.356 1.00 0.00 H new ATOM 0 HB ILE A 73 12.285 5.987 -19.093 1.00 0.00 H new ATOM 0 HG12 ILE A 73 10.687 4.221 -18.571 1.00 0.00 H new ATOM 0 HG13 ILE A 73 11.493 4.764 -17.112 1.00 0.00 H new ATOM 0 HG21 ILE A 73 12.263 7.128 -16.874 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.074 8.280 -18.217 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.659 7.801 -17.249 1.00 0.00 H new ATOM 0 HD11 ILE A 73 9.108 4.349 -16.693 1.00 0.00 H new ATOM 0 HD12 ILE A 73 9.483 6.075 -16.473 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.664 5.524 -17.954 1.00 0.00 H new ATOM 1182 N SER A 74 11.866 7.804 -21.531 1.00 0.00 N ATOM 1183 CA SER A 74 12.324 8.941 -22.382 1.00 0.00 C ATOM 1184 C SER A 74 11.255 9.607 -23.340 1.00 0.00 C ATOM 1185 O SER A 74 11.363 10.793 -23.668 1.00 0.00 O ATOM 1186 CB SER A 74 13.522 8.463 -23.248 1.00 0.00 C ATOM 1187 OG SER A 74 14.285 9.547 -23.771 1.00 0.00 O ATOM 0 H SER A 74 12.280 6.905 -21.776 1.00 0.00 H new ATOM 0 HA SER A 74 12.579 9.724 -21.667 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.169 7.825 -22.646 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.150 7.854 -24.072 1.00 0.00 H new ATOM 0 HG SER A 74 15.027 9.196 -24.307 1.00 0.00 H new ATOM 1193 N GLU A 75 10.354 8.810 -23.938 1.00 0.00 N ATOM 1194 CA GLU A 75 9.289 9.244 -24.884 1.00 0.00 C ATOM 1195 C GLU A 75 8.002 9.838 -24.224 1.00 0.00 C ATOM 1196 O GLU A 75 7.313 10.668 -24.822 1.00 0.00 O ATOM 1197 CB GLU A 75 8.825 7.977 -25.653 1.00 0.00 C ATOM 1198 CG GLU A 75 7.776 8.139 -26.770 1.00 0.00 C ATOM 1199 CD GLU A 75 7.401 6.740 -27.251 1.00 0.00 C ATOM 1200 OE1 GLU A 75 6.860 5.952 -26.425 1.00 0.00 O ATOM 1201 OE2 GLU A 75 7.669 6.405 -28.437 1.00 0.00 O ATOM 0 H GLU A 75 10.339 7.803 -23.775 1.00 0.00 H new ATOM 0 HA GLU A 75 9.730 10.033 -25.494 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.708 7.514 -26.092 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.426 7.273 -24.923 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.897 8.665 -26.398 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.178 8.732 -27.591 1.00 0.00 H new ATOM 1208 N ILE A 76 7.689 9.388 -23.000 1.00 0.00 N ATOM 1209 CA ILE A 76 6.410 9.648 -22.316 1.00 0.00 C ATOM 1210 C ILE A 76 6.200 11.034 -21.604 1.00 0.00 C ATOM 1211 O ILE A 76 5.033 11.408 -21.453 1.00 0.00 O ATOM 1212 CB ILE A 76 5.893 8.587 -21.346 1.00 0.00 C ATOM 1213 CG1 ILE A 76 6.788 8.444 -20.087 1.00 0.00 C ATOM 1214 CG2 ILE A 76 5.586 7.301 -22.153 1.00 0.00 C ATOM 1215 CD1 ILE A 76 6.368 7.311 -19.147 1.00 0.00 C ATOM 0 H ILE A 76 8.330 8.821 -22.445 1.00 0.00 H new ATOM 0 HA ILE A 76 5.826 9.632 -23.236 1.00 0.00 H new ATOM 0 HB ILE A 76 4.948 8.887 -20.892 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.818 8.276 -20.403 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.773 9.384 -19.535 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.215 6.529 -21.479 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.831 7.517 -22.908 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.496 6.951 -22.640 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.044 7.278 -18.292 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.350 7.486 -18.798 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.411 6.361 -19.680 1.00 0.00 H new ATOM 1227 N ASP A 77 7.214 11.810 -21.205 1.00 0.00 N ATOM 1228 CA ASP A 77 7.000 13.213 -20.731 1.00 0.00 C ATOM 1229 C ASP A 77 7.809 14.187 -21.646 1.00 0.00 C ATOM 1230 O ASP A 77 9.016 14.020 -21.865 1.00 0.00 O ATOM 1231 CB ASP A 77 7.472 13.395 -19.268 1.00 0.00 C ATOM 1232 CG ASP A 77 6.818 14.625 -18.653 1.00 0.00 C ATOM 1233 OD1 ASP A 77 7.377 15.749 -18.774 1.00 0.00 O ATOM 1234 OD2 ASP A 77 5.738 14.450 -18.025 1.00 0.00 O ATOM 0 H ASP A 77 8.188 11.509 -21.195 1.00 0.00 H new ATOM 0 HA ASP A 77 5.933 13.430 -20.778 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.220 12.510 -18.684 1.00 0.00 H new ATOM 0 HB3 ASP A 77 8.557 13.498 -19.238 1.00 0.00 H new ATOM 1239 N LYS A 78 7.117 15.172 -22.237 1.00 0.00 N ATOM 1240 CA LYS A 78 7.749 16.268 -23.046 1.00 0.00 C ATOM 1241 C LYS A 78 7.643 17.723 -22.456 1.00 0.00 C ATOM 1242 O LYS A 78 7.891 18.697 -23.173 1.00 0.00 O ATOM 1243 CB LYS A 78 7.253 16.267 -24.521 1.00 0.00 C ATOM 1244 CG LYS A 78 8.167 15.462 -25.465 1.00 0.00 C ATOM 1245 CD LYS A 78 8.042 13.934 -25.367 1.00 0.00 C ATOM 1246 CE LYS A 78 9.375 13.188 -25.528 1.00 0.00 C ATOM 1247 NZ LYS A 78 10.243 13.350 -24.337 1.00 0.00 N ATOM 0 H LYS A 78 6.101 15.247 -22.178 1.00 0.00 H new ATOM 0 HA LYS A 78 8.808 16.013 -23.001 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.246 15.852 -24.559 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.188 17.295 -24.877 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.953 15.761 -26.491 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.202 15.738 -25.262 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.607 13.676 -24.401 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.348 13.586 -26.132 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.181 12.129 -25.695 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.895 13.560 -26.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.689 12.439 -24.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.980 14.056 -24.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.669 13.669 -23.530 1.00 0.00 H new ATOM 1261 N GLU A 79 7.340 17.879 -21.164 1.00 0.00 N ATOM 1262 CA GLU A 79 7.016 19.185 -20.522 1.00 0.00 C ATOM 1263 C GLU A 79 8.016 19.503 -19.361 1.00 0.00 C ATOM 1264 O GLU A 79 8.566 20.604 -19.289 1.00 0.00 O ATOM 1265 CB GLU A 79 5.592 19.177 -19.910 1.00 0.00 C ATOM 1266 CG GLU A 79 4.470 18.818 -20.912 1.00 0.00 C ATOM 1267 CD GLU A 79 4.002 17.369 -20.752 1.00 0.00 C ATOM 1268 OE1 GLU A 79 4.753 16.430 -21.123 1.00 0.00 O ATOM 1269 OE2 GLU A 79 2.870 17.178 -20.228 1.00 0.00 O ATOM 0 H GLU A 79 7.309 17.096 -20.511 1.00 0.00 H new ATOM 0 HA GLU A 79 7.085 19.938 -21.307 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.568 18.465 -19.085 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.385 20.161 -19.488 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.625 19.490 -20.766 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.829 18.973 -21.929 1.00 0.00 H new ATOM 1276 N GLY A 80 8.223 18.537 -18.449 1.00 0.00 N ATOM 1277 CA GLY A 80 9.121 18.659 -17.273 1.00 0.00 C ATOM 1278 C GLY A 80 8.602 17.949 -15.999 1.00 0.00 C ATOM 1279 O GLY A 80 8.670 18.515 -14.906 1.00 0.00 O ATOM 0 H GLY A 80 7.764 17.628 -18.505 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.097 18.248 -17.532 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.269 19.716 -17.051 1.00 0.00 H new ATOM 1283 N THR A 81 8.076 16.723 -16.148 1.00 0.00 N ATOM 1284 CA THR A 81 7.341 15.993 -15.078 1.00 0.00 C ATOM 1285 C THR A 81 7.783 14.499 -15.116 1.00 0.00 C ATOM 1286 O THR A 81 8.973 14.184 -14.996 1.00 0.00 O ATOM 1287 CB THR A 81 5.826 16.235 -15.071 1.00 0.00 C ATOM 1288 OG1 THR A 81 5.310 16.442 -16.381 1.00 0.00 O ATOM 1289 CG2 THR A 81 5.529 17.505 -14.244 1.00 0.00 C ATOM 0 H THR A 81 8.144 16.197 -17.019 1.00 0.00 H new ATOM 0 HA THR A 81 7.618 16.402 -14.106 1.00 0.00 H new ATOM 0 HB THR A 81 5.353 15.350 -14.645 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.466 15.641 -16.924 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.455 17.688 -14.231 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.885 17.366 -13.223 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.037 18.359 -14.693 1.00 0.00 H new ATOM 1297 N GLY A 82 6.826 13.584 -15.186 1.00 0.00 N ATOM 1298 CA GLY A 82 7.080 12.128 -15.077 1.00 0.00 C ATOM 1299 C GLY A 82 5.831 11.395 -14.581 1.00 0.00 C ATOM 1300 O GLY A 82 5.652 11.059 -13.409 1.00 0.00 O ATOM 0 H GLY A 82 5.842 13.817 -15.320 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.378 11.732 -16.048 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.909 11.949 -14.392 1.00 0.00 H new ATOM 1304 N LYS A 83 5.006 11.147 -15.575 1.00 0.00 N ATOM 1305 CA LYS A 83 3.614 10.650 -15.415 1.00 0.00 C ATOM 1306 C LYS A 83 3.187 9.709 -16.571 1.00 0.00 C ATOM 1307 O LYS A 83 3.715 9.766 -17.689 1.00 0.00 O ATOM 1308 CB LYS A 83 2.622 11.843 -15.409 1.00 0.00 C ATOM 1309 CG LYS A 83 2.765 12.768 -16.639 1.00 0.00 C ATOM 1310 CD LYS A 83 1.804 13.965 -16.640 1.00 0.00 C ATOM 1311 CE LYS A 83 1.834 14.775 -17.948 1.00 0.00 C ATOM 1312 NZ LYS A 83 3.138 15.436 -18.182 1.00 0.00 N ATOM 0 H LYS A 83 5.271 11.282 -16.551 1.00 0.00 H new ATOM 0 HA LYS A 83 3.590 10.100 -14.474 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.603 11.458 -15.370 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.776 12.429 -14.503 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.789 13.138 -16.684 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.598 12.181 -17.542 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.789 13.606 -16.467 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.055 14.623 -15.808 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.611 14.113 -18.785 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.048 15.530 -17.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.045 16.124 -18.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.438 15.928 -17.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.849 14.721 -18.438 1.00 0.00 H new ATOM 1326 N MET A 84 2.151 8.900 -16.314 1.00 0.00 N ATOM 1327 CA MET A 84 1.488 8.108 -17.376 1.00 0.00 C ATOM 1328 C MET A 84 -0.006 7.880 -17.019 1.00 0.00 C ATOM 1329 O MET A 84 -0.294 7.471 -15.889 1.00 0.00 O ATOM 1330 CB MET A 84 2.202 6.744 -17.513 1.00 0.00 C ATOM 1331 CG MET A 84 1.980 6.030 -18.849 1.00 0.00 C ATOM 1332 SD MET A 84 3.128 4.641 -19.080 1.00 0.00 S ATOM 1333 CE MET A 84 2.888 4.533 -20.870 1.00 0.00 C ATOM 0 H MET A 84 1.750 8.772 -15.385 1.00 0.00 H new ATOM 0 HA MET A 84 1.546 8.652 -18.319 1.00 0.00 H new ATOM 0 HB2 MET A 84 3.272 6.895 -17.372 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.864 6.091 -16.708 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.954 5.664 -18.898 1.00 0.00 H new ATOM 0 HG3 MET A 84 2.104 6.742 -19.665 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.389 3.643 -21.251 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.822 4.472 -21.091 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.307 5.419 -21.347 1.00 0.00 H new ATOM 1343 N ASN A 85 -0.939 7.995 -17.986 1.00 0.00 N ATOM 1344 CA ASN A 85 -2.354 7.574 -17.762 1.00 0.00 C ATOM 1345 C ASN A 85 -2.575 6.160 -18.369 1.00 0.00 C ATOM 1346 O ASN A 85 -1.742 5.552 -19.052 1.00 0.00 O ATOM 1347 CB ASN A 85 -3.416 8.615 -18.219 1.00 0.00 C ATOM 1348 CG ASN A 85 -3.237 9.042 -19.681 1.00 0.00 C ATOM 1349 OD1 ASN A 85 -3.628 8.307 -20.593 1.00 0.00 O ATOM 1350 ND2 ASN A 85 -2.643 10.250 -19.902 1.00 0.00 N ATOM 0 H ASN A 85 -0.752 8.368 -18.917 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.513 7.520 -16.685 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.412 8.193 -18.088 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.356 9.495 -17.578 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -2.504 10.583 -20.856 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -2.337 10.820 -19.113 1.00 0.00 H new ATOM 1357 N PHE A 86 -3.766 5.641 -18.078 1.00 0.00 N ATOM 1358 CA PHE A 86 -4.234 4.372 -18.701 1.00 0.00 C ATOM 1359 C PHE A 86 -4.561 4.491 -20.230 1.00 0.00 C ATOM 1360 O PHE A 86 -4.595 3.448 -20.891 1.00 0.00 O ATOM 1361 CB PHE A 86 -5.503 3.865 -17.961 1.00 0.00 C ATOM 1362 CG PHE A 86 -5.784 2.398 -18.182 1.00 0.00 C ATOM 1363 CD1 PHE A 86 -4.884 1.428 -17.710 1.00 0.00 C ATOM 1364 CD2 PHE A 86 -6.970 1.970 -18.805 1.00 0.00 C ATOM 1365 CE1 PHE A 86 -5.175 0.064 -17.821 1.00 0.00 C ATOM 1366 CE2 PHE A 86 -7.251 0.605 -18.946 1.00 0.00 C ATOM 1367 CZ PHE A 86 -6.356 -0.350 -18.447 1.00 0.00 C ATOM 0 H PHE A 86 -4.428 6.061 -17.426 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.405 3.670 -18.607 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.388 4.048 -16.893 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.364 4.446 -18.293 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.955 1.739 -17.255 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.671 2.701 -19.179 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.488 -0.669 -17.424 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.158 0.289 -19.440 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.577 -1.403 -18.545 1.00 0.00 H new ATOM 1377 N GLY A 87 -4.804 5.699 -20.800 1.00 0.00 N ATOM 1378 CA GLY A 87 -4.882 5.851 -22.286 1.00 0.00 C ATOM 1379 C GLY A 87 -3.498 5.591 -22.966 1.00 0.00 C ATOM 1380 O GLY A 87 -3.414 4.748 -23.866 1.00 0.00 O ATOM 0 H GLY A 87 -4.946 6.562 -20.276 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.620 5.155 -22.685 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.225 6.856 -22.532 1.00 0.00 H new ATOM 1384 N ASP A 88 -2.413 6.231 -22.471 1.00 0.00 N ATOM 1385 CA ASP A 88 -1.004 5.933 -22.847 1.00 0.00 C ATOM 1386 C ASP A 88 -0.643 4.422 -22.613 1.00 0.00 C ATOM 1387 O ASP A 88 -0.232 3.745 -23.555 1.00 0.00 O ATOM 1388 CB ASP A 88 0.053 6.708 -22.009 1.00 0.00 C ATOM 1389 CG ASP A 88 -0.249 8.197 -21.871 1.00 0.00 C ATOM 1390 OD1 ASP A 88 -0.525 8.859 -22.902 1.00 0.00 O ATOM 1391 OD2 ASP A 88 -0.200 8.685 -20.706 1.00 0.00 O ATOM 0 H ASP A 88 -2.490 6.983 -21.786 1.00 0.00 H new ATOM 0 HA ASP A 88 -0.962 6.227 -23.896 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.113 6.264 -21.015 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.032 6.586 -22.472 1.00 0.00 H new ATOM 1396 N PHE A 89 -0.848 3.900 -21.378 1.00 0.00 N ATOM 1397 CA PHE A 89 -0.506 2.507 -20.985 1.00 0.00 C ATOM 1398 C PHE A 89 -1.158 1.389 -21.857 1.00 0.00 C ATOM 1399 O PHE A 89 -0.444 0.542 -22.396 1.00 0.00 O ATOM 1400 CB PHE A 89 -0.827 2.276 -19.481 1.00 0.00 C ATOM 1401 CG PHE A 89 0.042 1.240 -18.802 1.00 0.00 C ATOM 1402 CD1 PHE A 89 1.448 1.281 -18.887 1.00 0.00 C ATOM 1403 CD2 PHE A 89 -0.548 0.282 -17.961 1.00 0.00 C ATOM 1404 CE1 PHE A 89 2.237 0.393 -18.145 1.00 0.00 C ATOM 1405 CE2 PHE A 89 0.236 -0.617 -17.227 1.00 0.00 C ATOM 1406 CZ PHE A 89 1.631 -0.559 -17.317 1.00 0.00 C ATOM 0 H PHE A 89 -1.260 4.440 -20.617 1.00 0.00 H new ATOM 0 HA PHE A 89 0.565 2.417 -21.166 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.722 3.223 -18.951 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.870 1.973 -19.388 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.923 2.006 -19.532 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.624 0.238 -17.879 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.314 0.443 -18.212 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.235 -1.353 -16.593 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.239 -1.247 -16.749 1.00 0.00 H new ATOM 1416 N LEU A 90 -2.493 1.421 -22.026 1.00 0.00 N ATOM 1417 CA LEU A 90 -3.222 0.482 -22.918 1.00 0.00 C ATOM 1418 C LEU A 90 -2.849 0.597 -24.437 1.00 0.00 C ATOM 1419 O LEU A 90 -2.554 -0.434 -25.048 1.00 0.00 O ATOM 1420 CB LEU A 90 -4.753 0.643 -22.757 1.00 0.00 C ATOM 1421 CG LEU A 90 -5.606 -0.519 -23.319 1.00 0.00 C ATOM 1422 CD1 LEU A 90 -5.324 -1.859 -22.606 1.00 0.00 C ATOM 1423 CD2 LEU A 90 -7.106 -0.173 -23.252 1.00 0.00 C ATOM 0 H LEU A 90 -3.099 2.092 -21.554 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.903 -0.509 -22.594 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.980 0.758 -21.697 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.058 1.566 -23.250 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.318 -0.648 -24.362 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.949 -2.640 -23.039 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.274 -2.124 -22.731 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.550 -1.761 -21.544 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.689 -1.003 -23.652 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.392 0.005 -22.216 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.299 0.723 -23.841 1.00 0.00 H new ATOM 1435 N THR A 91 -2.811 1.809 -25.037 1.00 0.00 N ATOM 1436 CA THR A 91 -2.398 1.994 -26.467 1.00 0.00 C ATOM 1437 C THR A 91 -0.890 1.670 -26.749 1.00 0.00 C ATOM 1438 O THR A 91 -0.601 0.907 -27.677 1.00 0.00 O ATOM 1439 CB THR A 91 -2.745 3.377 -27.010 1.00 0.00 C ATOM 1440 OG1 THR A 91 -2.140 4.432 -26.266 1.00 0.00 O ATOM 1441 CG2 THR A 91 -4.277 3.559 -27.018 1.00 0.00 C ATOM 0 H THR A 91 -3.059 2.678 -24.563 1.00 0.00 H new ATOM 0 HA THR A 91 -2.989 1.252 -27.004 1.00 0.00 H new ATOM 0 HB THR A 91 -2.349 3.433 -28.024 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.552 4.485 -25.378 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.524 4.547 -27.406 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.731 2.797 -27.651 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.660 3.462 -26.002 1.00 0.00 H new ATOM 1449 N VAL A 92 0.064 2.227 -25.970 1.00 0.00 N ATOM 1450 CA VAL A 92 1.525 1.949 -26.150 1.00 0.00 C ATOM 1451 C VAL A 92 1.924 0.455 -25.892 1.00 0.00 C ATOM 1452 O VAL A 92 2.601 -0.123 -26.748 1.00 0.00 O ATOM 1453 CB VAL A 92 2.422 2.949 -25.420 1.00 0.00 C ATOM 1454 CG1 VAL A 92 2.663 2.589 -23.940 1.00 0.00 C ATOM 1455 CG2 VAL A 92 3.744 3.099 -26.196 1.00 0.00 C ATOM 0 H VAL A 92 -0.142 2.873 -25.208 1.00 0.00 H new ATOM 0 HA VAL A 92 1.712 2.107 -27.212 1.00 0.00 H new ATOM 0 HB VAL A 92 1.903 3.907 -25.394 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.307 3.340 -23.483 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.709 2.560 -23.413 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.143 1.612 -23.877 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.389 3.811 -25.681 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.244 2.132 -26.254 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.536 3.460 -27.203 1.00 0.00 H new ATOM 1465 N MET A 93 1.488 -0.181 -24.783 1.00 0.00 N ATOM 1466 CA MET A 93 1.758 -1.628 -24.527 1.00 0.00 C ATOM 1467 C MET A 93 1.038 -2.599 -25.522 1.00 0.00 C ATOM 1468 O MET A 93 1.684 -3.568 -25.921 1.00 0.00 O ATOM 1469 CB MET A 93 1.399 -2.077 -23.092 1.00 0.00 C ATOM 1470 CG MET A 93 2.252 -1.401 -22.000 1.00 0.00 C ATOM 1471 SD MET A 93 4.019 -1.839 -22.081 1.00 0.00 S ATOM 1472 CE MET A 93 4.505 -0.974 -20.564 1.00 0.00 C ATOM 0 H MET A 93 0.949 0.276 -24.048 1.00 0.00 H new ATOM 0 HA MET A 93 2.835 -1.699 -24.677 1.00 0.00 H new ATOM 0 HB2 MET A 93 0.347 -1.860 -22.905 1.00 0.00 H new ATOM 0 HB3 MET A 93 1.520 -3.158 -23.018 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.150 -0.319 -22.088 1.00 0.00 H new ATOM 0 HG3 MET A 93 1.862 -1.679 -21.021 1.00 0.00 H new ATOM 0 HE1 MET A 93 5.519 -0.590 -20.673 1.00 0.00 H new ATOM 0 HE2 MET A 93 3.821 -0.145 -20.383 1.00 0.00 H new ATOM 0 HE3 MET A 93 4.468 -1.666 -19.723 1.00 0.00 H new ATOM 1482 N THR A 94 -0.222 -2.387 -25.978 1.00 0.00 N ATOM 1483 CA THR A 94 -0.803 -3.204 -27.098 1.00 0.00 C ATOM 1484 C THR A 94 0.063 -3.115 -28.409 1.00 0.00 C ATOM 1485 O THR A 94 0.583 -4.149 -28.836 1.00 0.00 O ATOM 1486 CB THR A 94 -2.248 -2.860 -27.416 1.00 0.00 C ATOM 1487 OG1 THR A 94 -3.031 -2.973 -26.239 1.00 0.00 O ATOM 1488 CG2 THR A 94 -2.842 -3.798 -28.490 1.00 0.00 C ATOM 0 H THR A 94 -0.851 -1.676 -25.604 1.00 0.00 H new ATOM 0 HA THR A 94 -0.785 -4.230 -26.729 1.00 0.00 H new ATOM 0 HB THR A 94 -2.264 -1.840 -27.800 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.957 -2.147 -25.717 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.876 -3.517 -28.687 1.00 0.00 H new ATOM 0 HG22 THR A 94 -2.262 -3.713 -29.409 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.808 -4.827 -28.133 1.00 0.00 H new ATOM 1496 N GLN A 95 0.267 -1.906 -28.993 1.00 0.00 N ATOM 1497 CA GLN A 95 1.157 -1.706 -30.172 1.00 0.00 C ATOM 1498 C GLN A 95 2.629 -2.231 -30.020 1.00 0.00 C ATOM 1499 O GLN A 95 3.094 -2.982 -30.878 1.00 0.00 O ATOM 1500 CB GLN A 95 1.257 -0.184 -30.462 1.00 0.00 C ATOM 1501 CG GLN A 95 2.064 0.209 -31.714 1.00 0.00 C ATOM 1502 CD GLN A 95 2.252 1.730 -31.731 1.00 0.00 C ATOM 1503 OE1 GLN A 95 3.363 2.223 -31.503 1.00 0.00 O ATOM 1504 NE2 GLN A 95 1.139 2.478 -31.990 1.00 0.00 N ATOM 0 H GLN A 95 -0.176 -1.048 -28.665 1.00 0.00 H new ATOM 0 HA GLN A 95 0.696 -2.288 -30.970 1.00 0.00 H new ATOM 0 HB2 GLN A 95 0.247 0.214 -30.564 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.706 0.303 -29.596 1.00 0.00 H new ATOM 0 HG2 GLN A 95 3.033 -0.290 -31.709 1.00 0.00 H new ATOM 0 HG3 GLN A 95 1.543 -0.116 -32.615 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.247 2.019 -32.172 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.200 3.496 -32.002 1.00 0.00 H new ATOM 1513 N LYS A 96 3.379 -1.770 -29.002 1.00 0.00 N ATOM 1514 CA LYS A 96 4.830 -2.098 -28.854 1.00 0.00 C ATOM 1515 C LYS A 96 5.152 -3.506 -28.224 1.00 0.00 C ATOM 1516 O LYS A 96 6.144 -4.103 -28.656 1.00 0.00 O ATOM 1517 CB LYS A 96 5.598 -1.031 -28.046 1.00 0.00 C ATOM 1518 CG LYS A 96 5.567 0.355 -28.707 1.00 0.00 C ATOM 1519 CD LYS A 96 6.516 1.358 -28.034 1.00 0.00 C ATOM 1520 CE LYS A 96 6.494 2.743 -28.699 1.00 0.00 C ATOM 1521 NZ LYS A 96 7.391 3.682 -27.997 1.00 0.00 N ATOM 0 H LYS A 96 3.014 -1.168 -28.264 1.00 0.00 H new ATOM 0 HA LYS A 96 5.168 -2.120 -29.890 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.169 -0.961 -27.046 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.634 -1.348 -27.927 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.836 0.257 -29.759 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.550 0.746 -28.673 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.242 1.461 -26.984 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.532 0.964 -28.062 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.799 2.654 -29.742 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.477 3.135 -28.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.625 4.475 -28.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.916 4.045 -27.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.264 3.188 -27.722 1.00 0.00 H new ATOM 1535 N MET A 97 4.384 -4.069 -27.262 1.00 0.00 N ATOM 1536 CA MET A 97 4.553 -5.494 -26.815 1.00 0.00 C ATOM 1537 C MET A 97 3.917 -6.563 -27.782 1.00 0.00 C ATOM 1538 O MET A 97 4.620 -7.527 -28.093 1.00 0.00 O ATOM 1539 CB MET A 97 3.944 -5.809 -25.421 1.00 0.00 C ATOM 1540 CG MET A 97 4.641 -5.127 -24.231 1.00 0.00 C ATOM 1541 SD MET A 97 6.180 -5.960 -23.716 1.00 0.00 S ATOM 1542 CE MET A 97 6.425 -5.015 -22.185 1.00 0.00 C ATOM 0 H MET A 97 3.640 -3.569 -26.775 1.00 0.00 H new ATOM 0 HA MET A 97 5.640 -5.574 -26.798 1.00 0.00 H new ATOM 0 HB2 MET A 97 2.895 -5.512 -25.425 1.00 0.00 H new ATOM 0 HB3 MET A 97 3.970 -6.888 -25.267 1.00 0.00 H new ATOM 0 HG2 MET A 97 4.867 -4.094 -24.496 1.00 0.00 H new ATOM 0 HG3 MET A 97 3.953 -5.096 -23.386 1.00 0.00 H new ATOM 0 HE1 MET A 97 7.331 -5.359 -21.686 1.00 0.00 H new ATOM 0 HE2 MET A 97 6.522 -3.956 -22.423 1.00 0.00 H new ATOM 0 HE3 MET A 97 5.569 -5.162 -21.526 1.00 0.00 H new ATOM 1552 N SER A 98 2.606 -6.500 -28.122 1.00 0.00 N ATOM 1553 CA SER A 98 1.900 -7.598 -28.850 1.00 0.00 C ATOM 1554 C SER A 98 2.119 -7.638 -30.384 1.00 0.00 C ATOM 1555 O SER A 98 1.113 -7.521 -31.134 1.00 0.00 O ATOM 1556 CB SER A 98 0.379 -7.545 -28.561 1.00 0.00 C ATOM 1557 OG SER A 98 0.135 -7.499 -27.158 1.00 0.00 O ATOM 1558 OXT SER A 98 3.291 -7.788 -30.817 1.00 0.00 O ATOM 0 H SER A 98 2.010 -5.701 -27.906 1.00 0.00 H new ATOM 0 HA SER A 98 2.352 -8.511 -28.462 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.057 -6.668 -29.040 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.109 -8.419 -28.992 1.00 0.00 H new ATOM 0 HG SER A 98 -0.599 -6.877 -26.974 1.00 0.00 H new