USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=21 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 71:sc= 1.33 USER MOD Set 1.2: A 83 LYS NZ :NH3+ 176:sc= 2.23 (180deg=1.89) USER MOD Set 2.1: A 72 MET CE :methyl -175:sc= -1.53 (180deg=-1.33) USER MOD Set 2.2: A 96 LYS NZ :NH3+ 177:sc= 0.677 (180deg=0.824) USER MOD Set 3.1: A 26 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 29 GLN : amide:sc= 0.552 K(o=0.55,f=-3!) USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= 1.13 (180deg=0.327) 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 111:sc= 0.283 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 -175:sc= -0.234 (180deg=-0.277) USER MOD Single : A 65 LYS NZ :NH3+ -173:sc= 2.2 (180deg=2.1) USER MOD Single : A 66 LYS NZ :NH3+ -123:sc= 1.84 (180deg=0.896) USER MOD Single : A 70 LYS NZ :NH3+ -161:sc= 1.26 (180deg=1.11) USER MOD Single : A 71 LYS NZ :NH3+ -141:sc= 1.35 (180deg=-0.222) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 157:sc= 0.674 (180deg=0.395) USER MOD Single : A 84 MET CE :methyl -159:sc= 0 (180deg=-1.2) USER MOD Single : A 85 ASN : amide:sc= 0.386 K(o=0.39,f=-6.6!) USER MOD Single : A 91 THR OG1 : rot -86:sc= 1.26 USER MOD Single : A 93 MET CE :methyl -175:sc=-0.00284 (180deg=-0.0362) USER MOD Single : A 94 THR OG1 : rot 81:sc= 0.81 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 MET CE :methyl -176:sc= 0 (180deg=-0.0025) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 383 N LEU A 25 -5.170 -8.898 -27.472 1.00 0.00 N ATOM 384 CA LEU A 25 -5.385 -8.657 -25.972 1.00 0.00 C ATOM 385 C LEU A 25 -6.325 -9.756 -25.367 1.00 0.00 C ATOM 386 O LEU A 25 -7.551 -9.703 -25.498 1.00 0.00 O ATOM 387 CB LEU A 25 -5.968 -7.285 -25.535 1.00 0.00 C ATOM 388 CG LEU A 25 -5.008 -6.082 -25.630 1.00 0.00 C ATOM 389 CD1 LEU A 25 -5.797 -4.782 -25.379 1.00 0.00 C ATOM 390 CD2 LEU A 25 -3.825 -6.219 -24.649 1.00 0.00 C ATOM 0 HA LEU A 25 -4.364 -8.688 -25.592 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.845 -7.074 -26.147 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.311 -7.370 -24.504 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.580 -6.052 -26.632 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.122 -3.928 -25.445 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.582 -4.683 -26.128 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.245 -4.814 -24.386 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.170 -5.353 -24.745 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.203 -6.276 -23.628 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.264 -7.125 -24.880 1.00 0.00 H new ATOM 402 N THR A 26 -5.729 -10.739 -24.672 1.00 0.00 N ATOM 403 CA THR A 26 -6.493 -11.828 -23.992 1.00 0.00 C ATOM 404 C THR A 26 -6.412 -11.640 -22.440 1.00 0.00 C ATOM 405 O THR A 26 -6.190 -10.542 -21.919 1.00 0.00 O ATOM 406 CB THR A 26 -5.970 -13.192 -24.435 1.00 0.00 C ATOM 407 OG1 THR A 26 -4.575 -13.334 -24.182 1.00 0.00 O ATOM 408 CG2 THR A 26 -6.239 -13.377 -25.944 1.00 0.00 C ATOM 0 H THR A 26 -4.718 -10.812 -24.559 1.00 0.00 H new ATOM 0 HA THR A 26 -7.544 -11.776 -24.277 1.00 0.00 H new ATOM 0 HB THR A 26 -6.493 -13.955 -23.858 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.277 -14.220 -24.477 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.867 -14.350 -26.263 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.311 -13.319 -26.132 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.730 -12.592 -26.503 1.00 0.00 H new ATOM 416 N GLU A 27 -6.632 -12.725 -21.692 1.00 0.00 N ATOM 417 CA GLU A 27 -6.808 -12.690 -20.225 1.00 0.00 C ATOM 418 C GLU A 27 -5.519 -12.375 -19.387 1.00 0.00 C ATOM 419 O GLU A 27 -5.563 -11.490 -18.527 1.00 0.00 O ATOM 420 CB GLU A 27 -7.422 -14.017 -19.713 1.00 0.00 C ATOM 421 CG GLU A 27 -7.947 -14.001 -18.260 1.00 0.00 C ATOM 422 CD GLU A 27 -9.063 -12.975 -18.084 1.00 0.00 C ATOM 423 OE1 GLU A 27 -9.992 -12.931 -18.934 1.00 0.00 O ATOM 424 OE2 GLU A 27 -9.019 -12.201 -17.090 1.00 0.00 O ATOM 0 H GLU A 27 -6.695 -13.664 -22.085 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.482 -11.848 -20.066 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.244 -14.293 -20.373 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.669 -14.800 -19.798 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.316 -14.992 -17.994 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.128 -13.771 -17.578 1.00 0.00 H new ATOM 431 N GLU A 28 -4.374 -13.031 -19.673 1.00 0.00 N ATOM 432 CA GLU A 28 -3.039 -12.676 -19.103 1.00 0.00 C ATOM 433 C GLU A 28 -2.615 -11.177 -19.322 1.00 0.00 C ATOM 434 O GLU A 28 -2.374 -10.475 -18.338 1.00 0.00 O ATOM 435 CB GLU A 28 -1.953 -13.599 -19.699 1.00 0.00 C ATOM 436 CG GLU A 28 -0.560 -13.462 -19.060 1.00 0.00 C ATOM 437 CD GLU A 28 0.336 -14.561 -19.625 1.00 0.00 C ATOM 438 OE1 GLU A 28 0.504 -14.602 -20.873 1.00 0.00 O ATOM 439 OE2 GLU A 28 0.839 -15.391 -18.821 1.00 0.00 O ATOM 0 H GLU A 28 -4.341 -13.828 -20.309 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.133 -12.816 -18.026 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.282 -14.633 -19.599 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.868 -13.393 -20.766 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.138 -12.480 -19.275 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.629 -13.548 -17.976 1.00 0.00 H new ATOM 446 N GLN A 29 -2.624 -10.673 -20.572 1.00 0.00 N ATOM 447 CA GLN A 29 -2.367 -9.228 -20.886 1.00 0.00 C ATOM 448 C GLN A 29 -3.313 -8.211 -20.147 1.00 0.00 C ATOM 449 O GLN A 29 -2.838 -7.251 -19.534 1.00 0.00 O ATOM 450 CB GLN A 29 -2.488 -9.014 -22.412 1.00 0.00 C ATOM 451 CG GLN A 29 -1.494 -9.892 -23.201 1.00 0.00 C ATOM 452 CD GLN A 29 -1.881 -9.918 -24.682 1.00 0.00 C ATOM 453 OE1 GLN A 29 -2.819 -10.635 -25.056 1.00 0.00 O ATOM 454 NE2 GLN A 29 -1.154 -9.127 -25.525 1.00 0.00 N ATOM 0 H GLN A 29 -2.807 -11.242 -21.398 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.361 -9.018 -20.522 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.505 -9.243 -22.730 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.309 -7.965 -22.646 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.482 -9.502 -23.088 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.492 -10.905 -22.799 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.391 -8.557 -25.159 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.374 -9.106 -26.521 1.00 0.00 H new ATOM 463 N LYS A 30 -4.640 -8.448 -20.205 1.00 0.00 N ATOM 464 CA LYS A 30 -5.678 -7.731 -19.396 1.00 0.00 C ATOM 465 C LYS A 30 -5.366 -7.639 -17.861 1.00 0.00 C ATOM 466 O LYS A 30 -5.327 -6.525 -17.320 1.00 0.00 O ATOM 467 CB LYS A 30 -7.016 -8.485 -19.591 1.00 0.00 C ATOM 468 CG LYS A 30 -8.226 -8.101 -18.726 1.00 0.00 C ATOM 469 CD LYS A 30 -9.303 -9.195 -18.827 1.00 0.00 C ATOM 470 CE LYS A 30 -10.351 -9.159 -17.709 1.00 0.00 C ATOM 471 NZ LYS A 30 -11.062 -10.455 -17.634 1.00 0.00 N ATOM 0 H LYS A 30 -5.039 -9.154 -20.823 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.709 -6.701 -19.751 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.309 -8.369 -20.635 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.821 -9.545 -19.431 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.918 -7.975 -17.688 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.633 -7.145 -19.056 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.811 -9.100 -19.787 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.815 -10.170 -18.819 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.869 -8.945 -16.755 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.063 -8.355 -17.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.958 -10.330 -17.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.259 -10.799 -18.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.470 -11.147 -17.133 1.00 0.00 H new ATOM 485 N GLN A 31 -5.128 -8.778 -17.168 1.00 0.00 N ATOM 486 CA GLN A 31 -4.699 -8.759 -15.744 1.00 0.00 C ATOM 487 C GLN A 31 -3.280 -8.143 -15.513 1.00 0.00 C ATOM 488 O GLN A 31 -3.186 -7.353 -14.585 1.00 0.00 O ATOM 489 CB GLN A 31 -4.807 -10.128 -15.023 1.00 0.00 C ATOM 490 CG GLN A 31 -3.865 -11.229 -15.538 1.00 0.00 C ATOM 491 CD GLN A 31 -4.134 -12.542 -14.798 1.00 0.00 C ATOM 492 OE1 GLN A 31 -4.681 -13.490 -15.375 1.00 0.00 O ATOM 493 NE2 GLN A 31 -3.739 -12.591 -13.493 1.00 0.00 N ATOM 0 H GLN A 31 -5.224 -9.713 -17.564 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.429 -8.092 -15.285 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.611 -9.975 -13.962 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.834 -10.484 -15.110 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.010 -11.370 -16.609 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.828 -10.927 -15.394 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.292 -11.780 -13.065 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.891 -13.438 -12.946 1.00 0.00 H new ATOM 502 N GLU A 32 -2.221 -8.396 -16.312 1.00 0.00 N ATOM 503 CA GLU A 32 -0.895 -7.701 -16.163 1.00 0.00 C ATOM 504 C GLU A 32 -0.955 -6.138 -16.116 1.00 0.00 C ATOM 505 O GLU A 32 -0.410 -5.520 -15.194 1.00 0.00 O ATOM 506 CB GLU A 32 0.082 -8.045 -17.312 1.00 0.00 C ATOM 507 CG GLU A 32 0.608 -9.489 -17.273 1.00 0.00 C ATOM 508 CD GLU A 32 1.474 -9.721 -18.508 1.00 0.00 C ATOM 509 OE1 GLU A 32 0.930 -9.615 -19.639 1.00 0.00 O ATOM 510 OE2 GLU A 32 2.692 -9.988 -18.335 1.00 0.00 O ATOM 0 H GLU A 32 -2.245 -9.075 -17.072 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.552 -8.075 -15.198 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.420 -7.878 -18.265 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.929 -7.359 -17.273 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.189 -9.656 -16.366 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.223 -10.195 -17.254 1.00 0.00 H new ATOM 517 N ILE A 33 -1.631 -5.502 -17.089 1.00 0.00 N ATOM 518 CA ILE A 33 -1.735 -4.016 -17.149 1.00 0.00 C ATOM 519 C ILE A 33 -2.739 -3.424 -16.095 1.00 0.00 C ATOM 520 O ILE A 33 -2.395 -2.399 -15.496 1.00 0.00 O ATOM 521 CB ILE A 33 -2.150 -3.652 -18.581 1.00 0.00 C ATOM 522 CG1 ILE A 33 -1.184 -4.269 -19.635 1.00 0.00 C ATOM 523 CG2 ILE A 33 -2.259 -2.132 -18.800 1.00 0.00 C ATOM 524 CD1 ILE A 33 0.288 -3.856 -19.498 1.00 0.00 C ATOM 0 H ILE A 33 -2.115 -5.984 -17.847 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.771 -3.576 -16.894 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.143 -4.080 -18.719 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.247 -5.355 -19.569 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.532 -3.989 -20.630 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.555 -1.933 -19.830 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.005 -1.719 -18.121 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.293 -1.666 -18.604 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.876 -4.339 -20.278 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.373 -2.774 -19.597 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.662 -4.161 -18.521 1.00 0.00 H new ATOM 536 N ARG A 34 -3.943 -4.008 -15.830 1.00 0.00 N ATOM 537 CA ARG A 34 -4.776 -3.553 -14.680 1.00 0.00 C ATOM 538 C ARG A 34 -4.139 -3.907 -13.296 1.00 0.00 C ATOM 539 O ARG A 34 -4.062 -2.989 -12.488 1.00 0.00 O ATOM 540 CB ARG A 34 -6.228 -4.101 -14.713 1.00 0.00 C ATOM 541 CG ARG A 34 -7.181 -3.539 -13.632 1.00 0.00 C ATOM 542 CD ARG A 34 -7.943 -2.233 -13.958 1.00 0.00 C ATOM 543 NE ARG A 34 -7.021 -1.130 -14.414 1.00 0.00 N ATOM 544 CZ ARG A 34 -6.995 0.132 -13.879 1.00 0.00 C ATOM 545 NH1 ARG A 34 -7.547 0.418 -12.666 1.00 0.00 N ATOM 546 NH2 ARG A 34 -6.401 1.141 -14.586 1.00 0.00 N ATOM 0 H ARG A 34 -4.347 -4.769 -16.377 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.813 -2.470 -14.793 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.655 -3.889 -15.693 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.190 -5.185 -14.610 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.917 -4.309 -13.400 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.599 -3.371 -12.726 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.682 -2.430 -14.735 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.490 -1.904 -13.074 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.372 -1.337 -15.173 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.999 -0.319 -12.125 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.509 1.369 -12.300 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.986 0.949 -15.498 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.373 2.085 -14.202 1.00 0.00 H new ATOM 560 N GLU A 35 -3.636 -5.127 -13.002 1.00 0.00 N ATOM 561 CA GLU A 35 -2.888 -5.422 -11.734 1.00 0.00 C ATOM 562 C GLU A 35 -1.733 -4.415 -11.419 1.00 0.00 C ATOM 563 O GLU A 35 -1.748 -3.856 -10.321 1.00 0.00 O ATOM 564 CB GLU A 35 -2.340 -6.872 -11.707 1.00 0.00 C ATOM 565 CG GLU A 35 -1.794 -7.375 -10.350 1.00 0.00 C ATOM 566 CD GLU A 35 -0.276 -7.223 -10.200 1.00 0.00 C ATOM 567 OE1 GLU A 35 0.395 -6.740 -11.148 1.00 0.00 O ATOM 568 OE2 GLU A 35 0.230 -7.618 -9.115 1.00 0.00 O ATOM 0 H GLU A 35 -3.729 -5.933 -13.620 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.634 -5.303 -10.948 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.137 -7.544 -12.025 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.543 -6.950 -12.446 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.286 -6.828 -9.546 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.058 -8.426 -10.229 1.00 0.00 H new ATOM 575 N ALA A 36 -0.839 -4.066 -12.373 1.00 0.00 N ATOM 576 CA ALA A 36 0.160 -2.982 -12.140 1.00 0.00 C ATOM 577 C ALA A 36 -0.431 -1.533 -11.988 1.00 0.00 C ATOM 578 O ALA A 36 -0.193 -0.864 -10.967 1.00 0.00 O ATOM 579 CB ALA A 36 1.191 -2.925 -13.286 1.00 0.00 C ATOM 0 H ALA A 36 -0.783 -4.504 -13.293 1.00 0.00 H new ATOM 0 HA ALA A 36 0.608 -3.258 -11.186 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.907 -2.127 -13.092 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.717 -3.877 -13.350 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.678 -2.731 -14.228 1.00 0.00 H new ATOM 585 N PHE A 37 -1.210 -1.036 -12.976 1.00 0.00 N ATOM 586 CA PHE A 37 -1.784 0.344 -12.913 1.00 0.00 C ATOM 587 C PHE A 37 -2.814 0.542 -11.755 1.00 0.00 C ATOM 588 O PHE A 37 -2.681 1.528 -11.039 1.00 0.00 O ATOM 589 CB PHE A 37 -2.508 0.705 -14.232 1.00 0.00 C ATOM 590 CG PHE A 37 -2.584 2.197 -14.429 1.00 0.00 C ATOM 591 CD1 PHE A 37 -3.592 2.972 -13.825 1.00 0.00 C ATOM 592 CD2 PHE A 37 -1.637 2.838 -15.244 1.00 0.00 C ATOM 593 CE1 PHE A 37 -3.638 4.357 -14.019 1.00 0.00 C ATOM 594 CE2 PHE A 37 -1.708 4.212 -15.474 1.00 0.00 C ATOM 595 CZ PHE A 37 -2.689 4.976 -14.838 1.00 0.00 C ATOM 0 H PHE A 37 -1.458 -1.555 -13.818 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.926 0.993 -12.736 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.982 0.252 -15.073 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.514 0.286 -14.222 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.337 2.493 -13.206 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.845 2.261 -15.698 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.404 4.946 -13.537 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.005 4.685 -16.144 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.715 6.046 -14.979 1.00 0.00 H new ATOM 605 N ASP A 38 -3.783 -0.361 -11.540 1.00 0.00 N ATOM 606 CA ASP A 38 -4.666 -0.362 -10.330 1.00 0.00 C ATOM 607 C ASP A 38 -3.899 -0.519 -8.956 1.00 0.00 C ATOM 608 O ASP A 38 -4.308 0.110 -7.978 1.00 0.00 O ATOM 609 CB ASP A 38 -5.691 -1.528 -10.444 1.00 0.00 C ATOM 610 CG ASP A 38 -7.030 -1.277 -9.750 1.00 0.00 C ATOM 611 OD1 ASP A 38 -7.079 -1.272 -8.496 1.00 0.00 O ATOM 612 OD2 ASP A 38 -8.038 -1.127 -10.500 1.00 0.00 O ATOM 0 H ASP A 38 -3.989 -1.118 -12.192 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.146 0.616 -10.316 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.877 -1.727 -11.499 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.243 -2.429 -10.024 1.00 0.00 H new ATOM 617 N LEU A 39 -2.778 -1.290 -8.846 1.00 0.00 N ATOM 618 CA LEU A 39 -1.897 -1.289 -7.635 1.00 0.00 C ATOM 619 C LEU A 39 -1.385 0.139 -7.249 1.00 0.00 C ATOM 620 O LEU A 39 -1.477 0.519 -6.078 1.00 0.00 O ATOM 621 CB LEU A 39 -0.655 -2.215 -7.717 1.00 0.00 C ATOM 622 CG LEU A 39 -0.919 -3.682 -7.296 1.00 0.00 C ATOM 623 CD1 LEU A 39 0.273 -4.577 -7.685 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.240 -3.828 -5.795 1.00 0.00 C ATOM 0 H LEU A 39 -2.461 -1.922 -9.582 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.568 -1.680 -6.870 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.278 -2.206 -8.740 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.131 -1.804 -7.083 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.806 -4.009 -7.838 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.071 -5.604 -7.382 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.419 -4.539 -8.764 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.174 -4.222 -7.184 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.415 -4.878 -5.561 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.400 -3.460 -5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.132 -3.249 -5.556 1.00 0.00 H new ATOM 636 N PHE A 40 -0.830 0.905 -8.215 1.00 0.00 N ATOM 637 CA PHE A 40 -0.379 2.303 -7.958 1.00 0.00 C ATOM 638 C PHE A 40 -1.557 3.347 -7.978 1.00 0.00 C ATOM 639 O PHE A 40 -1.641 4.179 -7.070 1.00 0.00 O ATOM 640 CB PHE A 40 0.781 2.700 -8.889 1.00 0.00 C ATOM 641 CG PHE A 40 1.903 1.703 -8.678 1.00 0.00 C ATOM 642 CD1 PHE A 40 2.602 1.664 -7.456 1.00 0.00 C ATOM 643 CD2 PHE A 40 2.216 0.744 -9.657 1.00 0.00 C ATOM 644 CE1 PHE A 40 3.598 0.707 -7.228 1.00 0.00 C ATOM 645 CE2 PHE A 40 3.200 -0.226 -9.426 1.00 0.00 C ATOM 646 CZ PHE A 40 3.896 -0.241 -8.213 1.00 0.00 C ATOM 0 H PHE A 40 -0.682 0.588 -9.173 1.00 0.00 H new ATOM 0 HA PHE A 40 0.005 2.324 -6.938 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.455 2.695 -9.929 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.121 3.711 -8.666 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.366 2.382 -6.684 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.691 0.755 -10.600 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.136 0.700 -6.292 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.421 -0.962 -10.185 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.661 -0.982 -8.037 1.00 0.00 H new ATOM 656 N ASP A 41 -2.490 3.292 -8.950 1.00 0.00 N ATOM 657 CA ASP A 41 -3.751 4.083 -8.940 1.00 0.00 C ATOM 658 C ASP A 41 -4.862 3.331 -8.128 1.00 0.00 C ATOM 659 O ASP A 41 -5.759 2.688 -8.687 1.00 0.00 O ATOM 660 CB ASP A 41 -4.261 4.433 -10.369 1.00 0.00 C ATOM 661 CG ASP A 41 -5.373 5.490 -10.383 1.00 0.00 C ATOM 662 OD1 ASP A 41 -5.953 5.793 -9.308 1.00 0.00 O ATOM 663 OD2 ASP A 41 -5.663 6.026 -11.487 1.00 0.00 O ATOM 0 H ASP A 41 -2.395 2.696 -9.772 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.524 5.030 -8.450 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.423 4.791 -10.967 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.628 3.525 -10.847 1.00 0.00 H new ATOM 668 N ALA A 42 -4.779 3.415 -6.790 1.00 0.00 N ATOM 669 CA ALA A 42 -5.690 2.652 -5.879 1.00 0.00 C ATOM 670 C ALA A 42 -7.177 3.133 -5.825 1.00 0.00 C ATOM 671 O ALA A 42 -8.099 2.314 -5.809 1.00 0.00 O ATOM 672 CB ALA A 42 -5.165 2.675 -4.430 1.00 0.00 C ATOM 0 H ALA A 42 -4.098 3.998 -6.303 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.688 1.654 -6.318 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.844 2.114 -3.788 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.175 2.221 -4.395 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.105 3.706 -4.081 1.00 0.00 H new ATOM 678 N ASP A 43 -7.391 4.455 -5.771 1.00 0.00 N ATOM 679 CA ASP A 43 -8.740 5.079 -5.747 1.00 0.00 C ATOM 680 C ASP A 43 -9.469 5.179 -7.138 1.00 0.00 C ATOM 681 O ASP A 43 -10.702 5.251 -7.168 1.00 0.00 O ATOM 682 CB ASP A 43 -8.684 6.532 -5.208 1.00 0.00 C ATOM 683 CG ASP A 43 -8.174 6.538 -3.768 1.00 0.00 C ATOM 684 OD1 ASP A 43 -8.895 6.005 -2.884 1.00 0.00 O ATOM 685 OD2 ASP A 43 -7.058 7.073 -3.537 1.00 0.00 O ATOM 0 H ASP A 43 -6.632 5.136 -5.742 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.300 4.402 -5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.030 7.136 -5.836 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.675 6.983 -5.253 1.00 0.00 H new ATOM 690 N GLY A 44 -8.738 5.219 -8.270 1.00 0.00 N ATOM 691 CA GLY A 44 -9.308 5.470 -9.616 1.00 0.00 C ATOM 692 C GLY A 44 -9.295 6.965 -9.974 1.00 0.00 C ATOM 693 O GLY A 44 -10.349 7.606 -9.995 1.00 0.00 O ATOM 0 H GLY A 44 -7.728 5.077 -8.280 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.739 4.913 -10.361 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.331 5.097 -9.652 1.00 0.00 H new ATOM 697 N THR A 45 -8.098 7.516 -10.233 1.00 0.00 N ATOM 698 CA THR A 45 -7.892 8.989 -10.377 1.00 0.00 C ATOM 699 C THR A 45 -7.180 9.436 -11.700 1.00 0.00 C ATOM 700 O THR A 45 -7.552 10.523 -12.156 1.00 0.00 O ATOM 701 CB THR A 45 -7.200 9.596 -9.153 1.00 0.00 C ATOM 702 OG1 THR A 45 -7.379 11.010 -9.092 1.00 0.00 O ATOM 703 CG2 THR A 45 -5.698 9.250 -9.062 1.00 0.00 C ATOM 0 H THR A 45 -7.245 6.969 -10.350 1.00 0.00 H new ATOM 0 HA THR A 45 -8.903 9.390 -10.445 1.00 0.00 H new ATOM 0 HB THR A 45 -7.688 9.139 -8.292 1.00 0.00 H new ATOM 0 HG1 THR A 45 -6.926 11.363 -8.298 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.271 9.712 -8.172 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.577 8.168 -9.003 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.184 9.625 -9.947 1.00 0.00 H new ATOM 711 N GLY A 46 -6.221 8.726 -12.348 1.00 0.00 N ATOM 712 CA GLY A 46 -5.649 9.221 -13.645 1.00 0.00 C ATOM 713 C GLY A 46 -4.220 8.764 -13.966 1.00 0.00 C ATOM 714 O GLY A 46 -4.018 8.055 -14.954 1.00 0.00 O ATOM 0 H GLY A 46 -5.834 7.842 -12.017 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.303 8.898 -14.455 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.668 10.311 -13.635 1.00 0.00 H new ATOM 718 N THR A 47 -3.236 9.274 -13.207 1.00 0.00 N ATOM 719 CA THR A 47 -1.786 9.103 -13.529 1.00 0.00 C ATOM 720 C THR A 47 -1.006 8.297 -12.449 1.00 0.00 C ATOM 721 O THR A 47 -1.184 8.455 -11.238 1.00 0.00 O ATOM 722 CB THR A 47 -1.030 10.397 -13.828 1.00 0.00 C ATOM 723 OG1 THR A 47 -1.033 11.306 -12.730 1.00 0.00 O ATOM 724 CG2 THR A 47 -1.663 11.075 -15.060 1.00 0.00 C ATOM 0 H THR A 47 -3.407 9.813 -12.358 1.00 0.00 H new ATOM 0 HA THR A 47 -1.820 8.528 -14.454 1.00 0.00 H new ATOM 0 HB THR A 47 0.010 10.133 -14.019 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.130 11.367 -12.353 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.130 12.000 -15.281 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.598 10.405 -15.917 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.709 11.300 -14.854 1.00 0.00 H new ATOM 732 N ILE A 48 -0.087 7.462 -12.954 1.00 0.00 N ATOM 733 CA ILE A 48 0.936 6.749 -12.140 1.00 0.00 C ATOM 734 C ILE A 48 2.258 7.515 -12.505 1.00 0.00 C ATOM 735 O ILE A 48 2.692 7.571 -13.665 1.00 0.00 O ATOM 736 CB ILE A 48 1.036 5.255 -12.470 1.00 0.00 C ATOM 737 CG1 ILE A 48 2.208 4.582 -11.720 1.00 0.00 C ATOM 738 CG2 ILE A 48 1.104 5.019 -13.995 1.00 0.00 C ATOM 739 CD1 ILE A 48 2.422 3.114 -12.097 1.00 0.00 C ATOM 0 H ILE A 48 -0.023 7.253 -13.950 1.00 0.00 H new ATOM 0 HA ILE A 48 0.701 6.758 -11.076 1.00 0.00 H new ATOM 0 HB ILE A 48 0.123 4.777 -12.115 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.124 5.137 -11.924 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.027 4.649 -10.647 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.174 3.950 -14.195 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.205 5.418 -14.465 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.981 5.523 -14.402 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.261 2.711 -11.530 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.522 2.544 -11.867 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.636 3.040 -13.163 1.00 0.00 H new ATOM 751 N ASP A 49 2.867 8.129 -11.479 1.00 0.00 N ATOM 752 CA ASP A 49 4.003 9.091 -11.651 1.00 0.00 C ATOM 753 C ASP A 49 5.407 8.447 -11.386 1.00 0.00 C ATOM 754 O ASP A 49 5.515 7.428 -10.708 1.00 0.00 O ATOM 755 CB ASP A 49 3.861 10.368 -10.781 1.00 0.00 C ATOM 756 CG ASP A 49 2.665 11.245 -11.187 1.00 0.00 C ATOM 757 OD1 ASP A 49 1.921 10.905 -12.149 1.00 0.00 O ATOM 758 OD2 ASP A 49 2.491 12.303 -10.523 1.00 0.00 O ATOM 0 H ASP A 49 2.599 7.984 -10.506 1.00 0.00 H new ATOM 0 HA ASP A 49 3.945 9.377 -12.701 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.753 10.078 -9.736 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.776 10.955 -10.856 1.00 0.00 H new ATOM 763 N VAL A 50 6.483 9.061 -11.932 1.00 0.00 N ATOM 764 CA VAL A 50 7.893 8.510 -11.993 1.00 0.00 C ATOM 765 C VAL A 50 8.435 7.750 -10.740 1.00 0.00 C ATOM 766 O VAL A 50 9.148 6.776 -10.961 1.00 0.00 O ATOM 767 CB VAL A 50 8.939 9.529 -12.430 1.00 0.00 C ATOM 768 CG1 VAL A 50 8.886 9.628 -13.969 1.00 0.00 C ATOM 769 CG2 VAL A 50 8.716 10.879 -11.717 1.00 0.00 C ATOM 0 H VAL A 50 6.411 9.984 -12.361 1.00 0.00 H new ATOM 0 HA VAL A 50 7.751 7.753 -12.764 1.00 0.00 H new ATOM 0 HB VAL A 50 9.942 9.215 -12.142 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.625 10.352 -14.313 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.103 8.653 -14.404 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.892 9.950 -14.279 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.473 11.592 -12.043 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.726 11.262 -11.965 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.791 10.738 -10.639 1.00 0.00 H new ATOM 779 N LYS A 51 8.150 8.098 -9.474 1.00 0.00 N ATOM 780 CA LYS A 51 8.506 7.206 -8.314 1.00 0.00 C ATOM 781 C LYS A 51 7.846 5.761 -8.386 1.00 0.00 C ATOM 782 O LYS A 51 8.514 4.717 -8.510 1.00 0.00 O ATOM 783 CB LYS A 51 8.087 7.829 -6.956 1.00 0.00 C ATOM 784 CG LYS A 51 8.392 9.329 -6.799 1.00 0.00 C ATOM 785 CD LYS A 51 7.615 9.945 -5.623 1.00 0.00 C ATOM 786 CE LYS A 51 7.668 11.479 -5.604 1.00 0.00 C ATOM 787 NZ LYS A 51 6.753 12.033 -4.578 1.00 0.00 N ATOM 0 H LYS A 51 7.685 8.967 -9.212 1.00 0.00 H new ATOM 0 HA LYS A 51 9.589 7.106 -8.384 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.016 7.677 -6.820 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.590 7.287 -6.155 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.462 9.469 -6.642 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.134 9.852 -7.720 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.575 9.624 -5.675 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.021 9.562 -4.687 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.687 11.808 -5.402 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.396 11.867 -6.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.809 13.071 -4.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.778 11.737 -4.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.029 11.680 -3.640 1.00 0.00 H new ATOM 801 N GLU A 52 6.501 5.764 -8.395 1.00 0.00 N ATOM 802 CA GLU A 52 5.642 4.559 -8.540 1.00 0.00 C ATOM 803 C GLU A 52 5.718 3.927 -9.971 1.00 0.00 C ATOM 804 O GLU A 52 5.816 2.704 -10.084 1.00 0.00 O ATOM 805 CB GLU A 52 4.143 4.888 -8.310 1.00 0.00 C ATOM 806 CG GLU A 52 3.849 5.924 -7.207 1.00 0.00 C ATOM 807 CD GLU A 52 3.826 7.328 -7.812 1.00 0.00 C ATOM 808 OE1 GLU A 52 2.903 7.602 -8.624 1.00 0.00 O ATOM 809 OE2 GLU A 52 4.745 8.128 -7.494 1.00 0.00 O ATOM 0 H GLU A 52 5.960 6.624 -8.300 1.00 0.00 H new ATOM 0 HA GLU A 52 6.023 3.865 -7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.722 5.252 -9.247 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.620 3.964 -8.064 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.891 5.705 -6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.609 5.866 -6.428 1.00 0.00 H new ATOM 816 N LEU A 53 5.734 4.730 -11.059 1.00 0.00 N ATOM 817 CA LEU A 53 6.023 4.242 -12.426 1.00 0.00 C ATOM 818 C LEU A 53 7.447 3.603 -12.601 1.00 0.00 C ATOM 819 O LEU A 53 7.526 2.572 -13.251 1.00 0.00 O ATOM 820 CB LEU A 53 5.862 5.396 -13.438 1.00 0.00 C ATOM 821 CG LEU A 53 5.845 5.006 -14.931 1.00 0.00 C ATOM 822 CD1 LEU A 53 4.737 3.988 -15.264 1.00 0.00 C ATOM 823 CD2 LEU A 53 5.720 6.276 -15.794 1.00 0.00 C ATOM 0 H LEU A 53 5.547 5.732 -11.014 1.00 0.00 H new ATOM 0 HA LEU A 53 5.302 3.446 -12.612 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.934 5.921 -13.212 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.675 6.104 -13.280 1.00 0.00 H new ATOM 0 HG LEU A 53 6.788 4.508 -15.159 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.770 3.749 -16.327 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.891 3.079 -14.682 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.765 4.415 -15.019 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.708 6.000 -16.848 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.795 6.796 -15.545 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.568 6.932 -15.601 1.00 0.00 H new ATOM 835 N LYS A 54 8.547 4.115 -12.012 1.00 0.00 N ATOM 836 CA LYS A 54 9.871 3.414 -11.982 1.00 0.00 C ATOM 837 C LYS A 54 9.868 2.004 -11.328 1.00 0.00 C ATOM 838 O LYS A 54 10.367 1.063 -11.955 1.00 0.00 O ATOM 839 CB LYS A 54 10.960 4.264 -11.284 1.00 0.00 C ATOM 840 CG LYS A 54 12.393 3.719 -11.399 1.00 0.00 C ATOM 841 CD LYS A 54 13.435 4.684 -10.807 1.00 0.00 C ATOM 842 CE LYS A 54 14.875 4.172 -10.945 1.00 0.00 C ATOM 843 NZ LYS A 54 15.848 5.139 -10.382 1.00 0.00 N ATOM 0 H LYS A 54 8.555 5.021 -11.543 1.00 0.00 H new ATOM 0 HA LYS A 54 10.097 3.278 -13.040 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.937 5.270 -11.703 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.706 4.353 -10.228 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.457 2.760 -10.885 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.626 3.535 -12.448 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.350 5.651 -11.304 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.213 4.847 -9.752 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.973 3.215 -10.433 1.00 0.00 H new ATOM 0 HE3 LYS A 54 15.101 3.996 -11.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.812 4.764 -10.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.770 6.045 -10.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.646 5.287 -9.373 1.00 0.00 H new ATOM 857 N VAL A 55 9.321 1.827 -10.101 1.00 0.00 N ATOM 858 CA VAL A 55 9.104 0.434 -9.557 1.00 0.00 C ATOM 859 C VAL A 55 8.122 -0.441 -10.435 1.00 0.00 C ATOM 860 O VAL A 55 8.346 -1.650 -10.586 1.00 0.00 O ATOM 861 CB VAL A 55 8.718 0.394 -8.084 1.00 0.00 C ATOM 862 CG1 VAL A 55 9.900 0.950 -7.262 1.00 0.00 C ATOM 863 CG2 VAL A 55 7.422 1.179 -7.813 1.00 0.00 C ATOM 0 H VAL A 55 9.029 2.583 -9.482 1.00 0.00 H new ATOM 0 HA VAL A 55 10.089 -0.027 -9.627 1.00 0.00 H new ATOM 0 HB VAL A 55 8.515 -0.635 -7.787 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.647 0.931 -6.202 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.784 0.336 -7.435 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.105 1.976 -7.568 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.180 1.127 -6.751 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.560 2.221 -8.103 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.607 0.746 -8.393 1.00 0.00 H new ATOM 873 N ALA A 56 7.111 0.183 -11.067 1.00 0.00 N ATOM 874 CA ALA A 56 6.254 -0.488 -12.093 1.00 0.00 C ATOM 875 C ALA A 56 7.009 -0.931 -13.401 1.00 0.00 C ATOM 876 O ALA A 56 6.843 -2.062 -13.858 1.00 0.00 O ATOM 877 CB ALA A 56 5.064 0.383 -12.539 1.00 0.00 C ATOM 0 H ALA A 56 6.858 1.155 -10.892 1.00 0.00 H new ATOM 0 HA ALA A 56 5.913 -1.378 -11.565 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.478 -0.155 -13.284 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.436 0.610 -11.677 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.435 1.312 -12.972 1.00 0.00 H new ATOM 883 N MET A 57 7.859 -0.050 -13.964 1.00 0.00 N ATOM 884 CA MET A 57 8.792 -0.343 -15.093 1.00 0.00 C ATOM 885 C MET A 57 9.817 -1.491 -14.808 1.00 0.00 C ATOM 886 O MET A 57 10.068 -2.305 -15.698 1.00 0.00 O ATOM 887 CB MET A 57 9.519 0.995 -15.374 1.00 0.00 C ATOM 888 CG MET A 57 8.600 2.089 -15.984 1.00 0.00 C ATOM 889 SD MET A 57 8.460 2.185 -17.795 1.00 0.00 S ATOM 890 CE MET A 57 6.797 2.888 -17.934 1.00 0.00 C ATOM 0 H MET A 57 7.925 0.916 -13.643 1.00 0.00 H new ATOM 0 HA MET A 57 8.227 -0.713 -15.949 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.946 1.369 -14.443 1.00 0.00 H new ATOM 0 HB3 MET A 57 10.350 0.811 -16.054 1.00 0.00 H new ATOM 0 HG2 MET A 57 7.598 1.945 -15.580 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.952 3.057 -15.626 1.00 0.00 H new ATOM 0 HE1 MET A 57 6.508 2.934 -18.984 1.00 0.00 H new ATOM 0 HE2 MET A 57 6.090 2.261 -17.390 1.00 0.00 H new ATOM 0 HE3 MET A 57 6.790 3.893 -17.512 1.00 0.00 H new ATOM 900 N ARG A 58 10.385 -1.586 -13.584 1.00 0.00 N ATOM 901 CA ARG A 58 11.198 -2.767 -13.162 1.00 0.00 C ATOM 902 C ARG A 58 10.388 -4.118 -13.136 1.00 0.00 C ATOM 903 O ARG A 58 10.833 -5.079 -13.767 1.00 0.00 O ATOM 904 CB ARG A 58 11.784 -2.586 -11.744 1.00 0.00 C ATOM 905 CG ARG A 58 12.783 -1.420 -11.633 1.00 0.00 C ATOM 906 CD ARG A 58 13.259 -1.166 -10.196 1.00 0.00 C ATOM 907 NE ARG A 58 13.967 -2.393 -9.696 1.00 0.00 N ATOM 908 CZ ARG A 58 14.290 -2.595 -8.382 1.00 0.00 C ATOM 909 NH1 ARG A 58 14.004 -1.651 -7.438 1.00 0.00 N ATOM 910 NH2 ARG A 58 14.908 -3.757 -8.014 1.00 0.00 N ATOM 0 H ARG A 58 10.300 -0.865 -12.868 1.00 0.00 H new ATOM 0 HA ARG A 58 11.983 -2.825 -13.916 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.967 -2.422 -11.041 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.281 -3.509 -11.445 1.00 0.00 H new ATOM 0 HG2 ARG A 58 13.647 -1.629 -12.263 1.00 0.00 H new ATOM 0 HG3 ARG A 58 12.318 -0.513 -12.020 1.00 0.00 H new ATOM 0 HD2 ARG A 58 13.928 -0.306 -10.167 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.410 -0.932 -9.553 1.00 0.00 H new ATOM 0 HE ARG A 58 14.220 -3.114 -10.372 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.544 -0.782 -7.709 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.250 -1.815 -6.462 1.00 0.00 H new ATOM 0 HH21 ARG A 58 15.124 -4.464 -8.716 1.00 0.00 H new ATOM 0 HH22 ARG A 58 15.153 -3.917 -7.037 1.00 0.00 H new ATOM 924 N ALA A 59 9.217 -4.205 -12.458 1.00 0.00 N ATOM 925 CA ALA A 59 8.317 -5.395 -12.557 1.00 0.00 C ATOM 926 C ALA A 59 7.731 -5.742 -13.974 1.00 0.00 C ATOM 927 O ALA A 59 7.740 -6.914 -14.359 1.00 0.00 O ATOM 928 CB ALA A 59 7.104 -5.236 -11.619 1.00 0.00 C ATOM 0 H ALA A 59 8.870 -3.473 -11.838 1.00 0.00 H new ATOM 0 HA ALA A 59 8.987 -6.210 -12.285 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.460 -6.112 -11.705 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.450 -5.139 -10.590 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.543 -4.344 -11.898 1.00 0.00 H new ATOM 934 N LEU A 60 7.230 -4.757 -14.742 1.00 0.00 N ATOM 935 CA LEU A 60 6.669 -4.974 -16.110 1.00 0.00 C ATOM 936 C LEU A 60 7.698 -5.150 -17.280 1.00 0.00 C ATOM 937 O LEU A 60 7.328 -5.704 -18.315 1.00 0.00 O ATOM 938 CB LEU A 60 5.703 -3.815 -16.485 1.00 0.00 C ATOM 939 CG LEU A 60 4.782 -4.041 -17.716 1.00 0.00 C ATOM 940 CD1 LEU A 60 3.864 -5.271 -17.573 1.00 0.00 C ATOM 941 CD2 LEU A 60 3.948 -2.784 -18.014 1.00 0.00 C ATOM 0 H LEU A 60 7.198 -3.783 -14.441 1.00 0.00 H new ATOM 0 HA LEU A 60 6.162 -5.935 -16.021 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.071 -3.607 -15.622 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.299 -2.921 -16.667 1.00 0.00 H new ATOM 0 HG LEU A 60 5.446 -4.242 -18.557 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.248 -5.371 -18.467 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.473 -6.167 -17.450 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.222 -5.146 -16.701 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.311 -2.967 -18.880 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.327 -2.546 -17.150 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.614 -1.947 -18.223 1.00 0.00 H new ATOM 953 N GLY A 61 8.958 -4.689 -17.145 1.00 0.00 N ATOM 954 CA GLY A 61 10.013 -4.872 -18.179 1.00 0.00 C ATOM 955 C GLY A 61 10.301 -6.313 -18.655 1.00 0.00 C ATOM 956 O GLY A 61 10.291 -6.557 -19.863 1.00 0.00 O ATOM 0 H GLY A 61 9.278 -4.180 -16.321 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.737 -4.279 -19.051 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.942 -4.454 -17.790 1.00 0.00 H new ATOM 960 N PHE A 62 10.537 -7.244 -17.707 1.00 0.00 N ATOM 961 CA PHE A 62 10.716 -8.706 -17.979 1.00 0.00 C ATOM 962 C PHE A 62 12.118 -8.999 -18.596 1.00 0.00 C ATOM 963 O PHE A 62 12.510 -8.359 -19.580 1.00 0.00 O ATOM 964 CB PHE A 62 9.609 -9.411 -18.813 1.00 0.00 C ATOM 965 CG PHE A 62 8.227 -9.204 -18.243 1.00 0.00 C ATOM 966 CD1 PHE A 62 7.950 -9.398 -16.875 1.00 0.00 C ATOM 967 CD2 PHE A 62 7.168 -8.849 -19.101 1.00 0.00 C ATOM 968 CE1 PHE A 62 6.653 -9.225 -16.378 1.00 0.00 C ATOM 969 CE2 PHE A 62 5.869 -8.682 -18.604 1.00 0.00 C ATOM 970 CZ PHE A 62 5.613 -8.867 -17.241 1.00 0.00 C ATOM 0 H PHE A 62 10.611 -7.010 -16.717 1.00 0.00 H new ATOM 0 HA PHE A 62 10.627 -9.149 -16.987 1.00 0.00 H new ATOM 0 HB2 PHE A 62 9.636 -9.035 -19.836 1.00 0.00 H new ATOM 0 HB3 PHE A 62 9.821 -10.479 -18.861 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.746 -9.683 -16.203 1.00 0.00 H new ATOM 0 HD2 PHE A 62 7.360 -8.704 -20.154 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.455 -9.368 -15.326 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.065 -8.411 -19.273 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.613 -8.733 -16.856 1.00 0.00 H new ATOM 980 N GLU A 63 12.811 -10.063 -18.139 1.00 0.00 N ATOM 981 CA GLU A 63 14.192 -10.350 -18.701 1.00 0.00 C ATOM 982 C GLU A 63 14.393 -10.791 -20.203 1.00 0.00 C ATOM 983 O GLU A 63 15.584 -10.772 -20.537 1.00 0.00 O ATOM 984 CB GLU A 63 14.909 -11.414 -17.825 1.00 0.00 C ATOM 985 CG GLU A 63 15.241 -10.918 -16.404 1.00 0.00 C ATOM 986 CD GLU A 63 16.274 -9.794 -16.483 1.00 0.00 C ATOM 987 OE1 GLU A 63 17.389 -10.054 -17.011 1.00 0.00 O ATOM 988 OE2 GLU A 63 15.955 -8.659 -16.047 1.00 0.00 O ATOM 0 H GLU A 63 12.483 -10.715 -17.427 1.00 0.00 H new ATOM 0 HA GLU A 63 14.609 -9.343 -18.678 1.00 0.00 H new ATOM 0 HB2 GLU A 63 14.278 -12.300 -17.754 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.831 -11.719 -18.320 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.336 -10.561 -15.912 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.628 -11.740 -15.802 1.00 0.00 H new ATOM 995 N PRO A 64 13.486 -11.116 -21.173 1.00 0.00 N ATOM 996 CA PRO A 64 13.841 -11.286 -22.619 1.00 0.00 C ATOM 997 C PRO A 64 14.926 -10.383 -23.336 1.00 0.00 C ATOM 998 O PRO A 64 15.519 -10.842 -24.311 1.00 0.00 O ATOM 999 CB PRO A 64 12.488 -11.242 -23.325 1.00 0.00 C ATOM 1000 CG PRO A 64 11.552 -11.913 -22.310 1.00 0.00 C ATOM 1001 CD PRO A 64 12.068 -11.397 -20.961 1.00 0.00 C ATOM 0 HA PRO A 64 14.411 -12.213 -22.684 1.00 0.00 H new ATOM 0 HB2 PRO A 64 12.180 -10.220 -23.545 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.509 -11.780 -24.273 1.00 0.00 H new ATOM 0 HG2 PRO A 64 10.512 -11.634 -22.476 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.604 -13.000 -22.372 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.531 -10.500 -20.651 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.927 -12.140 -20.176 1.00 0.00 H new ATOM 1009 N LYS A 65 15.125 -9.113 -22.907 1.00 0.00 N ATOM 1010 CA LYS A 65 15.954 -8.063 -23.587 1.00 0.00 C ATOM 1011 C LYS A 65 15.173 -7.467 -24.808 1.00 0.00 C ATOM 1012 O LYS A 65 15.401 -7.821 -25.968 1.00 0.00 O ATOM 1013 CB LYS A 65 17.435 -8.376 -23.956 1.00 0.00 C ATOM 1014 CG LYS A 65 18.411 -8.341 -22.761 1.00 0.00 C ATOM 1015 CD LYS A 65 18.379 -9.585 -21.861 1.00 0.00 C ATOM 1016 CE LYS A 65 18.529 -9.258 -20.366 1.00 0.00 C ATOM 1017 NZ LYS A 65 18.221 -10.444 -19.540 1.00 0.00 N ATOM 0 H LYS A 65 14.700 -8.769 -22.046 1.00 0.00 H new ATOM 0 HA LYS A 65 16.095 -7.329 -22.793 1.00 0.00 H new ATOM 0 HB2 LYS A 65 17.481 -9.362 -24.418 1.00 0.00 H new ATOM 0 HB3 LYS A 65 17.770 -7.657 -24.704 1.00 0.00 H new ATOM 0 HG2 LYS A 65 19.424 -8.213 -23.142 1.00 0.00 H new ATOM 0 HG3 LYS A 65 18.186 -7.465 -22.153 1.00 0.00 H new ATOM 0 HD2 LYS A 65 17.439 -10.114 -22.018 1.00 0.00 H new ATOM 0 HD3 LYS A 65 19.179 -10.262 -22.160 1.00 0.00 H new ATOM 0 HE2 LYS A 65 19.545 -8.920 -20.162 1.00 0.00 H new ATOM 0 HE3 LYS A 65 17.861 -8.439 -20.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 18.212 -10.175 -18.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 17.289 -10.820 -19.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 18.946 -11.173 -19.696 1.00 0.00 H new ATOM 1031 N LYS A 66 14.267 -6.511 -24.522 1.00 0.00 N ATOM 1032 CA LYS A 66 13.581 -5.676 -25.547 1.00 0.00 C ATOM 1033 C LYS A 66 13.552 -4.211 -25.004 1.00 0.00 C ATOM 1034 O LYS A 66 13.100 -3.979 -23.875 1.00 0.00 O ATOM 1035 CB LYS A 66 12.144 -6.167 -25.858 1.00 0.00 C ATOM 1036 CG LYS A 66 11.589 -5.686 -27.213 1.00 0.00 C ATOM 1037 CD LYS A 66 10.315 -6.437 -27.656 1.00 0.00 C ATOM 1038 CE LYS A 66 9.010 -5.937 -27.016 1.00 0.00 C ATOM 1039 NZ LYS A 66 8.572 -4.661 -27.617 1.00 0.00 N ATOM 0 H LYS A 66 13.984 -6.289 -23.568 1.00 0.00 H new ATOM 0 HA LYS A 66 14.127 -5.744 -26.488 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.133 -7.257 -25.840 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.477 -5.829 -25.065 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.370 -4.620 -27.150 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.358 -5.808 -27.976 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.224 -6.359 -28.739 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.435 -7.495 -27.422 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.230 -6.688 -27.142 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.155 -5.805 -25.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.479 -3.941 -26.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.275 -4.347 -28.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.653 -4.795 -28.086 1.00 0.00 H new ATOM 1053 N GLU A 67 14.030 -3.217 -25.783 1.00 0.00 N ATOM 1054 CA GLU A 67 14.067 -1.794 -25.315 1.00 0.00 C ATOM 1055 C GLU A 67 12.657 -1.115 -25.418 1.00 0.00 C ATOM 1056 O GLU A 67 12.355 -0.379 -26.362 1.00 0.00 O ATOM 1057 CB GLU A 67 15.052 -0.896 -26.090 1.00 0.00 C ATOM 1058 CG GLU A 67 16.530 -1.286 -25.923 1.00 0.00 C ATOM 1059 CD GLU A 67 17.373 -0.182 -26.553 1.00 0.00 C ATOM 1060 OE1 GLU A 67 17.279 -0.004 -27.797 1.00 0.00 O ATOM 1061 OE2 GLU A 67 18.075 0.537 -25.792 1.00 0.00 O ATOM 0 H GLU A 67 14.393 -3.359 -26.726 1.00 0.00 H new ATOM 0 HA GLU A 67 14.402 -1.871 -24.281 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.798 -0.928 -27.149 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.921 0.135 -25.761 1.00 0.00 H new ATOM 0 HG2 GLU A 67 16.778 -1.402 -24.868 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.730 -2.243 -26.405 1.00 0.00 H new ATOM 1068 N GLU A 68 11.821 -1.348 -24.393 1.00 0.00 N ATOM 1069 CA GLU A 68 10.463 -0.761 -24.290 1.00 0.00 C ATOM 1070 C GLU A 68 10.306 0.133 -23.024 1.00 0.00 C ATOM 1071 O GLU A 68 10.032 1.321 -23.180 1.00 0.00 O ATOM 1072 CB GLU A 68 9.352 -1.836 -24.339 1.00 0.00 C ATOM 1073 CG GLU A 68 7.958 -1.220 -24.565 1.00 0.00 C ATOM 1074 CD GLU A 68 6.945 -2.251 -25.050 1.00 0.00 C ATOM 1075 OE1 GLU A 68 7.315 -3.060 -25.942 1.00 0.00 O ATOM 1076 OE2 GLU A 68 5.786 -2.227 -24.570 1.00 0.00 O ATOM 0 H GLU A 68 12.063 -1.950 -23.606 1.00 0.00 H new ATOM 0 HA GLU A 68 10.344 -0.124 -25.167 1.00 0.00 H new ATOM 0 HB2 GLU A 68 9.569 -2.544 -25.139 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.352 -2.399 -23.406 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.604 -0.775 -23.635 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.033 -0.415 -25.296 1.00 0.00 H new ATOM 1083 N ILE A 69 10.477 -0.379 -21.788 1.00 0.00 N ATOM 1084 CA ILE A 69 10.247 0.425 -20.530 1.00 0.00 C ATOM 1085 C ILE A 69 11.223 1.663 -20.392 1.00 0.00 C ATOM 1086 O ILE A 69 10.787 2.764 -20.033 1.00 0.00 O ATOM 1087 CB ILE A 69 10.549 -0.622 -19.456 1.00 0.00 C ATOM 1088 CG1 ILE A 69 9.361 -1.599 -19.235 1.00 0.00 C ATOM 1089 CG2 ILE A 69 11.215 -0.071 -18.186 1.00 0.00 C ATOM 1090 CD1 ILE A 69 7.968 -1.023 -18.966 1.00 0.00 C ATOM 0 H ILE A 69 10.772 -1.340 -21.615 1.00 0.00 H new ATOM 0 HA ILE A 69 9.254 0.871 -20.485 1.00 0.00 H new ATOM 0 HB ILE A 69 11.346 -1.247 -19.859 1.00 0.00 H new ATOM 0 HG12 ILE A 69 9.290 -2.235 -20.117 1.00 0.00 H new ATOM 0 HG13 ILE A 69 9.618 -2.245 -18.396 1.00 0.00 H new ATOM 0 HG21 ILE A 69 11.390 -0.886 -17.484 1.00 0.00 H new ATOM 0 HG22 ILE A 69 12.166 0.394 -18.446 1.00 0.00 H new ATOM 0 HG23 ILE A 69 10.562 0.671 -17.725 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.256 -1.838 -18.835 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.994 -0.415 -18.062 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.661 -0.405 -19.810 1.00 0.00 H new ATOM 1102 N LYS A 70 12.514 1.495 -20.745 1.00 0.00 N ATOM 1103 CA LYS A 70 13.512 2.599 -20.887 1.00 0.00 C ATOM 1104 C LYS A 70 13.097 3.711 -21.928 1.00 0.00 C ATOM 1105 O LYS A 70 13.153 4.910 -21.630 1.00 0.00 O ATOM 1106 CB LYS A 70 14.815 1.936 -21.416 1.00 0.00 C ATOM 1107 CG LYS A 70 15.986 2.842 -21.835 1.00 0.00 C ATOM 1108 CD LYS A 70 17.106 2.025 -22.510 1.00 0.00 C ATOM 1109 CE LYS A 70 18.210 2.881 -23.146 1.00 0.00 C ATOM 1110 NZ LYS A 70 19.204 2.038 -23.853 1.00 0.00 N ATOM 0 H LYS A 70 12.909 0.576 -20.945 1.00 0.00 H new ATOM 0 HA LYS A 70 13.611 3.091 -19.920 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.180 1.260 -20.642 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.548 1.322 -22.276 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.628 3.610 -22.521 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.383 3.356 -20.960 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.555 1.364 -21.769 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.665 1.390 -23.279 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.767 3.589 -23.846 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.710 3.466 -22.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 20.082 2.578 -23.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 19.405 1.189 -23.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.823 1.755 -24.778 1.00 0.00 H new ATOM 1124 N LYS A 71 12.667 3.304 -23.138 1.00 0.00 N ATOM 1125 CA LYS A 71 12.087 4.235 -24.146 1.00 0.00 C ATOM 1126 C LYS A 71 10.662 4.777 -23.779 1.00 0.00 C ATOM 1127 O LYS A 71 10.387 5.906 -24.172 1.00 0.00 O ATOM 1128 CB LYS A 71 12.071 3.621 -25.561 1.00 0.00 C ATOM 1129 CG LYS A 71 13.507 3.374 -26.052 1.00 0.00 C ATOM 1130 CD LYS A 71 13.620 2.720 -27.435 1.00 0.00 C ATOM 1131 CE LYS A 71 15.091 2.456 -27.793 1.00 0.00 C ATOM 1132 NZ LYS A 71 15.244 1.462 -28.880 1.00 0.00 N ATOM 0 H LYS A 71 12.708 2.334 -23.449 1.00 0.00 H new ATOM 0 HA LYS A 71 12.758 5.094 -24.138 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.516 2.683 -25.551 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.554 4.290 -26.249 1.00 0.00 H new ATOM 0 HG2 LYS A 71 14.036 4.327 -26.074 1.00 0.00 H new ATOM 0 HG3 LYS A 71 14.019 2.742 -25.326 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.064 1.782 -27.446 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.168 3.367 -28.187 1.00 0.00 H new ATOM 0 HE2 LYS A 71 15.561 3.392 -28.093 1.00 0.00 H new ATOM 0 HE3 LYS A 71 15.619 2.104 -26.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 16.057 0.847 -28.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.381 0.885 -28.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.401 1.955 -29.782 1.00 0.00 H new ATOM 1146 N MET A 72 9.786 4.099 -23.001 1.00 0.00 N ATOM 1147 CA MET A 72 8.523 4.714 -22.474 1.00 0.00 C ATOM 1148 C MET A 72 8.838 5.942 -21.547 1.00 0.00 C ATOM 1149 O MET A 72 8.359 7.035 -21.859 1.00 0.00 O ATOM 1150 CB MET A 72 7.665 3.730 -21.634 1.00 0.00 C ATOM 1151 CG MET A 72 6.365 3.257 -22.315 1.00 0.00 C ATOM 1152 SD MET A 72 6.507 1.804 -23.394 1.00 0.00 S ATOM 1153 CE MET A 72 7.283 2.542 -24.856 1.00 0.00 C ATOM 0 H MET A 72 9.921 3.128 -22.719 1.00 0.00 H new ATOM 0 HA MET A 72 7.966 5.012 -23.362 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.271 2.856 -21.394 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.409 4.209 -20.689 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.632 3.037 -21.539 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.967 4.083 -22.904 1.00 0.00 H new ATOM 0 HE1 MET A 72 7.356 1.794 -25.646 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.679 3.380 -25.204 1.00 0.00 H new ATOM 0 HE3 MET A 72 8.281 2.896 -24.598 1.00 0.00 H new ATOM 1163 N ILE A 73 9.683 5.821 -20.485 1.00 0.00 N ATOM 1164 CA ILE A 73 10.102 7.005 -19.652 1.00 0.00 C ATOM 1165 C ILE A 73 10.789 8.159 -20.469 1.00 0.00 C ATOM 1166 O ILE A 73 10.476 9.328 -20.232 1.00 0.00 O ATOM 1167 CB ILE A 73 11.032 6.579 -18.512 1.00 0.00 C ATOM 1168 CG1 ILE A 73 10.382 5.483 -17.627 1.00 0.00 C ATOM 1169 CG2 ILE A 73 11.468 7.788 -17.648 1.00 0.00 C ATOM 1170 CD1 ILE A 73 9.108 5.926 -16.898 1.00 0.00 C ATOM 0 H ILE A 73 10.086 4.934 -20.182 1.00 0.00 H new ATOM 0 HA ILE A 73 9.170 7.406 -19.253 1.00 0.00 H new ATOM 0 HB ILE A 73 11.925 6.156 -18.973 1.00 0.00 H new ATOM 0 HG12 ILE A 73 10.147 4.622 -18.252 1.00 0.00 H new ATOM 0 HG13 ILE A 73 11.111 5.151 -16.888 1.00 0.00 H new ATOM 0 HG21 ILE A 73 12.127 7.446 -16.850 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.997 8.509 -18.271 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.587 8.261 -17.214 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.722 5.098 -16.304 1.00 0.00 H new ATOM 0 HD12 ILE A 73 9.337 6.767 -16.243 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.358 6.229 -17.628 1.00 0.00 H new ATOM 1182 N SER A 74 11.685 7.846 -21.426 1.00 0.00 N ATOM 1183 CA SER A 74 12.317 8.879 -22.293 1.00 0.00 C ATOM 1184 C SER A 74 11.406 9.546 -23.393 1.00 0.00 C ATOM 1185 O SER A 74 11.571 10.734 -23.680 1.00 0.00 O ATOM 1186 CB SER A 74 13.552 8.253 -23.001 1.00 0.00 C ATOM 1187 OG SER A 74 14.425 9.232 -23.556 1.00 0.00 O ATOM 0 H SER A 74 11.991 6.893 -21.623 1.00 0.00 H new ATOM 0 HA SER A 74 12.567 9.688 -21.607 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.105 7.644 -22.286 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.212 7.586 -23.793 1.00 0.00 H new ATOM 0 HG SER A 74 15.184 8.787 -23.987 1.00 0.00 H new ATOM 1193 N GLU A 75 10.576 8.779 -24.122 1.00 0.00 N ATOM 1194 CA GLU A 75 9.733 9.255 -25.253 1.00 0.00 C ATOM 1195 C GLU A 75 8.403 9.959 -24.849 1.00 0.00 C ATOM 1196 O GLU A 75 7.925 10.840 -25.568 1.00 0.00 O ATOM 1197 CB GLU A 75 9.335 8.000 -26.084 1.00 0.00 C ATOM 1198 CG GLU A 75 8.601 8.197 -27.423 1.00 0.00 C ATOM 1199 CD GLU A 75 8.264 6.815 -27.986 1.00 0.00 C ATOM 1200 OE1 GLU A 75 9.206 6.002 -28.191 1.00 0.00 O ATOM 1201 OE2 GLU A 75 7.055 6.519 -28.192 1.00 0.00 O ATOM 0 H GLU A 75 10.464 7.781 -23.942 1.00 0.00 H new ATOM 0 HA GLU A 75 10.329 9.995 -25.786 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.246 7.437 -26.287 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.706 7.372 -25.453 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.692 8.781 -27.277 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.227 8.751 -28.123 1.00 0.00 H new ATOM 1208 N ILE A 76 7.758 9.456 -23.781 1.00 0.00 N ATOM 1209 CA ILE A 76 6.387 9.834 -23.379 1.00 0.00 C ATOM 1210 C ILE A 76 6.174 11.163 -22.570 1.00 0.00 C ATOM 1211 O ILE A 76 5.025 11.609 -22.501 1.00 0.00 O ATOM 1212 CB ILE A 76 5.547 8.749 -22.697 1.00 0.00 C ATOM 1213 CG1 ILE A 76 5.833 8.614 -21.173 1.00 0.00 C ATOM 1214 CG2 ILE A 76 5.648 7.452 -23.535 1.00 0.00 C ATOM 1215 CD1 ILE A 76 5.223 7.374 -20.518 1.00 0.00 C ATOM 0 H ILE A 76 8.180 8.764 -23.162 1.00 0.00 H new ATOM 0 HA ILE A 76 6.028 10.007 -24.393 1.00 0.00 H new ATOM 0 HB ILE A 76 4.495 9.035 -22.687 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.912 8.596 -21.019 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.453 9.501 -20.666 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.056 6.668 -23.064 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.270 7.638 -24.540 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.690 7.136 -23.592 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.473 7.363 -19.457 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.140 7.396 -20.635 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.621 6.478 -20.994 1.00 0.00 H new ATOM 1227 N ASP A 77 7.184 11.743 -21.917 1.00 0.00 N ATOM 1228 CA ASP A 77 7.072 13.113 -21.325 1.00 0.00 C ATOM 1229 C ASP A 77 7.987 14.086 -22.137 1.00 0.00 C ATOM 1230 O ASP A 77 9.220 13.985 -22.116 1.00 0.00 O ATOM 1231 CB ASP A 77 7.488 13.158 -19.833 1.00 0.00 C ATOM 1232 CG ASP A 77 6.953 14.422 -19.166 1.00 0.00 C ATOM 1233 OD1 ASP A 77 7.560 15.517 -19.322 1.00 0.00 O ATOM 1234 OD2 ASP A 77 5.904 14.306 -18.473 1.00 0.00 O ATOM 0 H ASP A 77 8.093 11.301 -21.776 1.00 0.00 H new ATOM 0 HA ASP A 77 6.025 13.411 -21.379 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.106 12.278 -19.316 1.00 0.00 H new ATOM 0 HB3 ASP A 77 8.575 13.129 -19.751 1.00 0.00 H new ATOM 1239 N LYS A 78 7.365 14.999 -22.901 1.00 0.00 N ATOM 1240 CA LYS A 78 8.066 16.019 -23.743 1.00 0.00 C ATOM 1241 C LYS A 78 7.790 17.515 -23.349 1.00 0.00 C ATOM 1242 O LYS A 78 7.743 18.420 -24.189 1.00 0.00 O ATOM 1243 CB LYS A 78 7.755 15.766 -25.245 1.00 0.00 C ATOM 1244 CG LYS A 78 8.965 15.298 -26.080 1.00 0.00 C ATOM 1245 CD LYS A 78 9.711 14.076 -25.510 1.00 0.00 C ATOM 1246 CE LYS A 78 10.781 13.526 -26.462 1.00 0.00 C ATOM 1247 NZ LYS A 78 11.734 12.642 -25.751 1.00 0.00 N ATOM 0 H LYS A 78 6.349 15.062 -22.961 1.00 0.00 H new ATOM 0 HA LYS A 78 9.130 15.883 -23.550 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.967 15.016 -25.318 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.362 16.684 -25.681 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.623 15.060 -27.087 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.668 16.126 -26.170 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.181 14.352 -24.566 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.990 13.289 -25.289 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.302 12.972 -27.269 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.322 14.354 -26.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.183 11.996 -26.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.465 13.220 -25.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.224 12.088 -25.033 1.00 0.00 H new ATOM 1261 N GLU A 79 7.679 17.755 -22.044 1.00 0.00 N ATOM 1262 CA GLU A 79 7.230 19.046 -21.451 1.00 0.00 C ATOM 1263 C GLU A 79 8.176 19.468 -20.275 1.00 0.00 C ATOM 1264 O GLU A 79 8.674 20.596 -20.246 1.00 0.00 O ATOM 1265 CB GLU A 79 5.780 18.986 -20.902 1.00 0.00 C ATOM 1266 CG GLU A 79 4.721 18.623 -21.969 1.00 0.00 C ATOM 1267 CD GLU A 79 4.370 17.136 -21.927 1.00 0.00 C ATOM 1268 OE1 GLU A 79 3.638 16.741 -20.981 1.00 0.00 O ATOM 1269 OE2 GLU A 79 4.813 16.374 -22.827 1.00 0.00 O ATOM 0 H GLU A 79 7.900 17.051 -21.340 1.00 0.00 H new ATOM 0 HA GLU A 79 7.264 19.775 -22.261 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.737 18.252 -20.097 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.526 19.953 -20.467 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.821 19.215 -21.806 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.097 18.881 -22.959 1.00 0.00 H new ATOM 1276 N GLY A 80 8.399 18.560 -19.305 1.00 0.00 N ATOM 1277 CA GLY A 80 9.253 18.789 -18.112 1.00 0.00 C ATOM 1278 C GLY A 80 8.684 18.191 -16.804 1.00 0.00 C ATOM 1279 O GLY A 80 8.679 18.863 -15.771 1.00 0.00 O ATOM 0 H GLY A 80 7.985 17.628 -19.324 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.238 18.361 -18.296 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.392 19.862 -17.978 1.00 0.00 H new ATOM 1283 N THR A 81 8.192 16.943 -16.852 1.00 0.00 N ATOM 1284 CA THR A 81 7.418 16.308 -15.751 1.00 0.00 C ATOM 1285 C THR A 81 7.890 14.826 -15.615 1.00 0.00 C ATOM 1286 O THR A 81 9.081 14.547 -15.445 1.00 0.00 O ATOM 1287 CB THR A 81 5.905 16.515 -15.845 1.00 0.00 C ATOM 1288 OG1 THR A 81 5.466 16.565 -17.197 1.00 0.00 O ATOM 1289 CG2 THR A 81 5.540 17.862 -15.182 1.00 0.00 C ATOM 0 H THR A 81 8.316 16.333 -17.660 1.00 0.00 H new ATOM 0 HA THR A 81 7.637 16.817 -14.812 1.00 0.00 H new ATOM 0 HB THR A 81 5.422 15.676 -15.345 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.531 15.672 -17.595 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.463 18.018 -15.244 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.845 17.847 -14.136 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.055 18.673 -15.698 1.00 0.00 H new ATOM 1297 N GLY A 82 6.946 13.894 -15.601 1.00 0.00 N ATOM 1298 CA GLY A 82 7.226 12.455 -15.381 1.00 0.00 C ATOM 1299 C GLY A 82 5.982 11.739 -14.851 1.00 0.00 C ATOM 1300 O GLY A 82 5.779 11.514 -13.656 1.00 0.00 O ATOM 0 H GLY A 82 5.957 14.101 -15.741 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.547 11.994 -16.315 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.046 12.343 -14.672 1.00 0.00 H new ATOM 1304 N LYS A 83 5.187 11.378 -15.835 1.00 0.00 N ATOM 1305 CA LYS A 83 3.807 10.863 -15.656 1.00 0.00 C ATOM 1306 C LYS A 83 3.413 9.825 -16.739 1.00 0.00 C ATOM 1307 O LYS A 83 3.951 9.804 -17.853 1.00 0.00 O ATOM 1308 CB LYS A 83 2.779 12.022 -15.744 1.00 0.00 C ATOM 1309 CG LYS A 83 2.900 12.840 -17.046 1.00 0.00 C ATOM 1310 CD LYS A 83 1.922 14.020 -17.149 1.00 0.00 C ATOM 1311 CE LYS A 83 1.991 14.740 -18.507 1.00 0.00 C ATOM 1312 NZ LYS A 83 3.324 15.327 -18.754 1.00 0.00 N ATOM 0 H LYS A 83 5.470 11.428 -16.814 1.00 0.00 H new ATOM 0 HA LYS A 83 3.792 10.387 -14.675 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.771 11.612 -15.672 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.915 12.686 -14.891 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.918 13.220 -17.128 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.738 12.175 -17.894 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.907 13.659 -16.987 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.137 14.734 -16.354 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.752 14.036 -19.304 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.237 15.526 -18.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.349 15.744 -19.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.514 16.066 -18.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.049 14.585 -18.682 1.00 0.00 H new ATOM 1326 N MET A 84 2.397 9.016 -16.419 1.00 0.00 N ATOM 1327 CA MET A 84 1.753 8.125 -17.410 1.00 0.00 C ATOM 1328 C MET A 84 0.257 7.933 -17.029 1.00 0.00 C ATOM 1329 O MET A 84 -0.028 7.588 -15.875 1.00 0.00 O ATOM 1330 CB MET A 84 2.467 6.756 -17.463 1.00 0.00 C ATOM 1331 CG MET A 84 2.179 5.920 -18.714 1.00 0.00 C ATOM 1332 SD MET A 84 3.312 4.506 -18.874 1.00 0.00 S ATOM 1333 CE MET A 84 3.101 4.270 -20.658 1.00 0.00 C ATOM 0 H MET A 84 1.998 8.955 -15.482 1.00 0.00 H new ATOM 0 HA MET A 84 1.825 8.582 -18.397 1.00 0.00 H new ATOM 0 HB2 MET A 84 3.542 6.922 -17.396 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.178 6.179 -16.585 1.00 0.00 H new ATOM 0 HG2 MET A 84 1.152 5.557 -18.678 1.00 0.00 H new ATOM 0 HG3 MET A 84 2.263 6.552 -19.598 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.394 3.255 -20.928 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.056 4.430 -20.925 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.726 4.983 -21.196 1.00 0.00 H new ATOM 1343 N ASN A 85 -0.683 8.020 -17.989 1.00 0.00 N ATOM 1344 CA ASN A 85 -2.105 7.630 -17.737 1.00 0.00 C ATOM 1345 C ASN A 85 -2.351 6.197 -18.280 1.00 0.00 C ATOM 1346 O ASN A 85 -1.531 5.556 -18.947 1.00 0.00 O ATOM 1347 CB ASN A 85 -3.158 8.664 -18.229 1.00 0.00 C ATOM 1348 CG ASN A 85 -2.981 9.032 -19.707 1.00 0.00 C ATOM 1349 OD1 ASN A 85 -3.365 8.257 -20.590 1.00 0.00 O ATOM 1350 ND2 ASN A 85 -2.399 10.237 -19.978 1.00 0.00 N ATOM 0 H ASN A 85 -0.499 8.350 -18.936 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.254 7.627 -16.657 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.158 8.258 -18.077 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.085 9.567 -17.623 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -2.265 10.532 -20.945 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -2.099 10.842 -19.213 1.00 0.00 H new ATOM 1357 N PHE A 86 -3.545 5.700 -17.960 1.00 0.00 N ATOM 1358 CA PHE A 86 -4.030 4.410 -18.528 1.00 0.00 C ATOM 1359 C PHE A 86 -4.355 4.466 -20.059 1.00 0.00 C ATOM 1360 O PHE A 86 -4.402 3.399 -20.678 1.00 0.00 O ATOM 1361 CB PHE A 86 -5.302 3.941 -17.767 1.00 0.00 C ATOM 1362 CG PHE A 86 -5.545 2.455 -17.885 1.00 0.00 C ATOM 1363 CD1 PHE A 86 -4.630 1.551 -17.323 1.00 0.00 C ATOM 1364 CD2 PHE A 86 -6.700 1.949 -18.506 1.00 0.00 C ATOM 1365 CE1 PHE A 86 -4.875 0.174 -17.346 1.00 0.00 C ATOM 1366 CE2 PHE A 86 -6.937 0.568 -18.554 1.00 0.00 C ATOM 1367 CZ PHE A 86 -6.026 -0.320 -17.968 1.00 0.00 C ATOM 0 H PHE A 86 -4.198 6.152 -17.320 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.207 3.706 -18.402 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.207 4.206 -16.714 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.169 4.477 -18.154 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.725 1.924 -16.867 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.411 2.630 -18.950 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.176 -0.507 -16.884 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.822 0.189 -19.043 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.212 -1.383 -17.996 1.00 0.00 H new ATOM 1377 N GLY A 87 -4.584 5.655 -20.678 1.00 0.00 N ATOM 1378 CA GLY A 87 -4.667 5.750 -22.168 1.00 0.00 C ATOM 1379 C GLY A 87 -3.282 5.459 -22.838 1.00 0.00 C ATOM 1380 O GLY A 87 -3.202 4.582 -23.703 1.00 0.00 O ATOM 0 H GLY A 87 -4.712 6.541 -20.188 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.408 5.041 -22.538 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.008 6.746 -22.452 1.00 0.00 H new ATOM 1384 N ASP A 88 -2.192 6.116 -22.370 1.00 0.00 N ATOM 1385 CA ASP A 88 -0.783 5.802 -22.735 1.00 0.00 C ATOM 1386 C ASP A 88 -0.431 4.303 -22.444 1.00 0.00 C ATOM 1387 O ASP A 88 -0.048 3.583 -23.363 1.00 0.00 O ATOM 1388 CB ASP A 88 0.280 6.599 -21.922 1.00 0.00 C ATOM 1389 CG ASP A 88 0.006 8.098 -21.866 1.00 0.00 C ATOM 1390 OD1 ASP A 88 -0.235 8.712 -22.936 1.00 0.00 O ATOM 1391 OD2 ASP A 88 0.044 8.643 -20.729 1.00 0.00 O ATOM 0 H ASP A 88 -2.266 6.895 -21.715 1.00 0.00 H new ATOM 0 HA ASP A 88 -0.739 6.062 -23.793 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.318 6.207 -20.906 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.263 6.434 -22.364 1.00 0.00 H new ATOM 1396 N PHE A 89 -0.621 3.835 -21.187 1.00 0.00 N ATOM 1397 CA PHE A 89 -0.279 2.461 -20.732 1.00 0.00 C ATOM 1398 C PHE A 89 -0.919 1.311 -21.576 1.00 0.00 C ATOM 1399 O PHE A 89 -0.195 0.473 -22.116 1.00 0.00 O ATOM 1400 CB PHE A 89 -0.654 2.294 -19.233 1.00 0.00 C ATOM 1401 CG PHE A 89 0.179 1.295 -18.461 1.00 0.00 C ATOM 1402 CD1 PHE A 89 1.585 1.280 -18.534 1.00 0.00 C ATOM 1403 CD2 PHE A 89 -0.449 0.454 -17.528 1.00 0.00 C ATOM 1404 CE1 PHE A 89 2.339 0.472 -17.673 1.00 0.00 C ATOM 1405 CE2 PHE A 89 0.299 -0.368 -16.678 1.00 0.00 C ATOM 1406 CZ PHE A 89 1.695 -0.348 -16.741 1.00 0.00 C ATOM 0 H PHE A 89 -1.023 4.410 -20.446 1.00 0.00 H new ATOM 0 HA PHE A 89 0.797 2.362 -20.877 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.570 3.265 -18.745 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.700 1.995 -19.169 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.088 1.899 -19.262 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.527 0.442 -17.466 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.417 0.482 -17.729 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.202 -1.017 -15.974 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.276 -0.965 -16.071 1.00 0.00 H new ATOM 1416 N LEU A 90 -2.257 1.313 -21.726 1.00 0.00 N ATOM 1417 CA LEU A 90 -2.984 0.321 -22.562 1.00 0.00 C ATOM 1418 C LEU A 90 -2.670 0.395 -24.096 1.00 0.00 C ATOM 1419 O LEU A 90 -2.355 -0.643 -24.685 1.00 0.00 O ATOM 1420 CB LEU A 90 -4.514 0.441 -22.353 1.00 0.00 C ATOM 1421 CG LEU A 90 -5.368 -0.698 -22.968 1.00 0.00 C ATOM 1422 CD1 LEU A 90 -4.994 -2.091 -22.422 1.00 0.00 C ATOM 1423 CD2 LEU A 90 -6.869 -0.415 -22.766 1.00 0.00 C ATOM 0 H LEU A 90 -2.867 1.995 -21.277 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.619 -0.647 -22.218 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.714 0.482 -21.282 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.847 1.389 -22.776 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.149 -0.716 -24.036 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.625 -2.847 -22.889 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.949 -2.302 -22.648 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.143 -2.111 -21.342 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.454 -1.224 -23.204 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.086 -0.346 -21.700 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.131 0.525 -23.251 1.00 0.00 H new ATOM 1435 N THR A 91 -2.711 1.587 -24.735 1.00 0.00 N ATOM 1436 CA THR A 91 -2.370 1.741 -26.187 1.00 0.00 C ATOM 1437 C THR A 91 -0.864 1.468 -26.527 1.00 0.00 C ATOM 1438 O THR A 91 -0.590 0.703 -27.459 1.00 0.00 O ATOM 1439 CB THR A 91 -2.803 3.078 -26.781 1.00 0.00 C ATOM 1440 OG1 THR A 91 -2.168 4.195 -26.166 1.00 0.00 O ATOM 1441 CG2 THR A 91 -4.336 3.221 -26.667 1.00 0.00 C ATOM 0 H THR A 91 -2.975 2.460 -24.278 1.00 0.00 H new ATOM 0 HA THR A 91 -2.959 0.956 -26.661 1.00 0.00 H new ATOM 0 HB THR A 91 -2.495 3.077 -27.827 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.676 4.464 -25.372 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.645 4.176 -27.091 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.819 2.409 -27.211 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.628 3.179 -25.618 1.00 0.00 H new ATOM 1449 N VAL A 92 0.105 2.061 -25.796 1.00 0.00 N ATOM 1450 CA VAL A 92 1.565 1.809 -26.023 1.00 0.00 C ATOM 1451 C VAL A 92 2.015 0.328 -25.769 1.00 0.00 C ATOM 1452 O VAL A 92 2.710 -0.230 -26.624 1.00 0.00 O ATOM 1453 CB VAL A 92 2.478 2.822 -25.321 1.00 0.00 C ATOM 1454 CG1 VAL A 92 2.824 2.450 -23.862 1.00 0.00 C ATOM 1455 CG2 VAL A 92 3.754 3.017 -26.163 1.00 0.00 C ATOM 0 H VAL A 92 -0.087 2.719 -25.041 1.00 0.00 H new ATOM 0 HA VAL A 92 1.693 1.970 -27.094 1.00 0.00 H new ATOM 0 HB VAL A 92 1.926 3.759 -25.249 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.473 3.215 -23.435 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.907 2.384 -23.276 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.337 1.488 -23.844 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.409 3.736 -25.670 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.273 2.064 -26.264 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.484 3.389 -27.151 1.00 0.00 H new ATOM 1465 N MET A 93 1.600 -0.314 -24.653 1.00 0.00 N ATOM 1466 CA MET A 93 1.876 -1.762 -24.400 1.00 0.00 C ATOM 1467 C MET A 93 1.212 -2.729 -25.436 1.00 0.00 C ATOM 1468 O MET A 93 1.915 -3.617 -25.918 1.00 0.00 O ATOM 1469 CB MET A 93 1.512 -2.209 -22.965 1.00 0.00 C ATOM 1470 CG MET A 93 2.286 -1.431 -21.877 1.00 0.00 C ATOM 1471 SD MET A 93 4.079 -1.726 -21.845 1.00 0.00 S ATOM 1472 CE MET A 93 4.483 -0.247 -20.874 1.00 0.00 C ATOM 0 H MET A 93 1.072 0.141 -23.908 1.00 0.00 H new ATOM 0 HA MET A 93 2.956 -1.840 -24.524 1.00 0.00 H new ATOM 0 HB2 MET A 93 0.442 -2.074 -22.809 1.00 0.00 H new ATOM 0 HB3 MET A 93 1.718 -3.274 -22.859 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.112 -0.365 -22.022 1.00 0.00 H new ATOM 0 HG3 MET A 93 1.873 -1.692 -20.903 1.00 0.00 H new ATOM 0 HE1 MET A 93 5.566 -0.151 -20.790 1.00 0.00 H new ATOM 0 HE2 MET A 93 4.078 0.635 -21.369 1.00 0.00 H new ATOM 0 HE3 MET A 93 4.048 -0.336 -19.878 1.00 0.00 H new ATOM 1482 N THR A 94 -0.074 -2.571 -25.835 1.00 0.00 N ATOM 1483 CA THR A 94 -0.652 -3.349 -26.985 1.00 0.00 C ATOM 1484 C THR A 94 0.124 -3.147 -28.337 1.00 0.00 C ATOM 1485 O THR A 94 0.592 -4.140 -28.902 1.00 0.00 O ATOM 1486 CB THR A 94 -2.118 -3.033 -27.221 1.00 0.00 C ATOM 1487 OG1 THR A 94 -2.825 -3.142 -25.997 1.00 0.00 O ATOM 1488 CG2 THR A 94 -2.754 -3.990 -28.252 1.00 0.00 C ATOM 0 H THR A 94 -0.730 -1.926 -25.394 1.00 0.00 H new ATOM 0 HA THR A 94 -0.545 -4.390 -26.679 1.00 0.00 H new ATOM 0 HB THR A 94 -2.180 -2.018 -27.615 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.700 -2.323 -25.473 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.803 -3.729 -28.392 1.00 0.00 H new ATOM 0 HG22 THR A 94 -2.229 -3.902 -29.203 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.680 -5.016 -27.890 1.00 0.00 H new ATOM 1496 N GLN A 95 0.276 -1.894 -28.835 1.00 0.00 N ATOM 1497 CA GLN A 95 1.033 -1.591 -30.082 1.00 0.00 C ATOM 1498 C GLN A 95 2.521 -2.080 -30.120 1.00 0.00 C ATOM 1499 O GLN A 95 2.918 -2.719 -31.096 1.00 0.00 O ATOM 1500 CB GLN A 95 1.076 -0.050 -30.271 1.00 0.00 C ATOM 1501 CG GLN A 95 1.756 0.454 -31.557 1.00 0.00 C ATOM 1502 CD GLN A 95 1.891 1.979 -31.478 1.00 0.00 C ATOM 1503 OE1 GLN A 95 2.990 2.497 -31.245 1.00 0.00 O ATOM 1504 NE2 GLN A 95 0.745 2.700 -31.659 1.00 0.00 N ATOM 0 H GLN A 95 -0.120 -1.067 -28.388 1.00 0.00 H new ATOM 0 HA GLN A 95 0.501 -2.131 -30.865 1.00 0.00 H new ATOM 0 HB2 GLN A 95 0.053 0.327 -30.253 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.592 0.387 -29.416 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.737 -0.007 -31.671 1.00 0.00 H new ATOM 0 HG3 GLN A 95 1.168 0.172 -32.430 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.135 2.220 -31.849 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.769 3.718 -31.604 1.00 0.00 H new ATOM 1513 N LYS A 96 3.352 -1.741 -29.116 1.00 0.00 N ATOM 1514 CA LYS A 96 4.800 -2.119 -29.108 1.00 0.00 C ATOM 1515 C LYS A 96 5.122 -3.596 -28.648 1.00 0.00 C ATOM 1516 O LYS A 96 6.135 -4.132 -29.117 1.00 0.00 O ATOM 1517 CB LYS A 96 5.651 -1.089 -28.335 1.00 0.00 C ATOM 1518 CG LYS A 96 5.540 0.315 -28.967 1.00 0.00 C ATOM 1519 CD LYS A 96 6.453 1.362 -28.314 1.00 0.00 C ATOM 1520 CE LYS A 96 6.311 2.776 -28.910 1.00 0.00 C ATOM 1521 NZ LYS A 96 7.174 3.751 -28.201 1.00 0.00 N ATOM 0 H LYS A 96 3.058 -1.208 -28.298 1.00 0.00 H new ATOM 0 HA LYS A 96 5.084 -2.099 -30.160 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.324 -1.050 -27.296 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.694 -1.406 -28.329 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.782 0.246 -30.028 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.506 0.654 -28.898 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.234 1.405 -27.247 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.489 1.039 -28.414 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.576 2.755 -29.967 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.271 3.096 -28.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.094 4.682 -28.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.871 3.825 -27.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.163 3.431 -28.238 1.00 0.00 H new ATOM 1535 N MET A 97 4.326 -4.283 -27.794 1.00 0.00 N ATOM 1536 CA MET A 97 4.497 -5.750 -27.523 1.00 0.00 C ATOM 1537 C MET A 97 3.939 -6.687 -28.658 1.00 0.00 C ATOM 1538 O MET A 97 4.679 -7.582 -29.074 1.00 0.00 O ATOM 1539 CB MET A 97 3.832 -6.207 -26.201 1.00 0.00 C ATOM 1540 CG MET A 97 4.420 -5.554 -24.934 1.00 0.00 C ATOM 1541 SD MET A 97 6.121 -6.078 -24.545 1.00 0.00 S ATOM 1542 CE MET A 97 6.189 -5.306 -22.900 1.00 0.00 C ATOM 0 H MET A 97 3.558 -3.855 -27.277 1.00 0.00 H new ATOM 0 HA MET A 97 5.580 -5.855 -27.465 1.00 0.00 H new ATOM 0 HB2 MET A 97 2.766 -5.984 -26.249 1.00 0.00 H new ATOM 0 HB3 MET A 97 3.928 -7.289 -26.115 1.00 0.00 H new ATOM 0 HG2 MET A 97 4.404 -4.471 -25.056 1.00 0.00 H new ATOM 0 HG3 MET A 97 3.777 -5.788 -24.086 1.00 0.00 H new ATOM 0 HE1 MET A 97 7.186 -5.434 -22.479 1.00 0.00 H new ATOM 0 HE2 MET A 97 5.966 -4.243 -22.988 1.00 0.00 H new ATOM 0 HE3 MET A 97 5.456 -5.778 -22.246 1.00 0.00 H new ATOM 1552 N SER A 98 2.647 -6.590 -29.054 1.00 0.00 N ATOM 1553 CA SER A 98 2.014 -7.536 -30.018 1.00 0.00 C ATOM 1554 C SER A 98 2.332 -7.249 -31.507 1.00 0.00 C ATOM 1555 O SER A 98 1.990 -6.132 -31.975 1.00 0.00 O ATOM 1556 CB SER A 98 0.472 -7.521 -29.886 1.00 0.00 C ATOM 1557 OG SER A 98 0.076 -7.711 -28.530 1.00 0.00 O ATOM 1558 OXT SER A 98 2.906 -8.147 -32.177 1.00 0.00 O ATOM 0 H SER A 98 2.015 -5.862 -28.720 1.00 0.00 H new ATOM 0 HA SER A 98 2.441 -8.502 -29.751 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.081 -6.573 -30.254 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.042 -8.306 -30.508 1.00 0.00 H new ATOM 0 HG SER A 98 -0.902 -7.696 -28.470 1.00 0.00 H new