USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 594 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 THR OG1 : rot 56:sc= 1.32 USER MOD Set 1.2: A 29 GLN : amide:sc= 0.862 K(o=2.2,f=1.3) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.063) USER MOD Single : A 45 THR OG1 : rot 80:sc= 1.11 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+ 171:sc= 0 (180deg=-0.0871) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -158:sc= -0.104 (180deg=-0.477!) USER MOD Single : A 66 LYS NZ :NH3+ -153:sc= 1.99 (180deg=1.3) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -148:sc= 1.29 (180deg=1.04) USER MOD Single : A 72 MET CE :methyl -172:sc= -0.0244 (180deg=-0.0564) USER MOD Single : A 74 SER OG : rot -38:sc= 0.00124 USER MOD Single : A 78 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.19) USER MOD Single : A 81 THR OG1 : rot -44:sc= 1.17 USER MOD Single : A 83 LYS NZ :NH3+ -103:sc= 1.27 (180deg=-0.617) USER MOD Single : A 84 MET CE :methyl -150:sc= -0.0191 (180deg=-0.0363) USER MOD Single : A 85 ASN : amide:sc= -0.633 X(o=-0.63,f=-0.95) USER MOD Single : A 91 THR OG1 : rot -75:sc= 0.932 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -66:sc= 1.05 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 96 LYS NZ :NH3+ -107:sc= 2.04 (180deg=-0.00585) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot -16:sc= 0.704 USER MOD ----------------------------------------------------------------- ATOM 383 N LEU A 25 -1.730 -8.432 -25.443 1.00 0.00 N ATOM 384 CA LEU A 25 -1.114 -9.200 -24.323 1.00 0.00 C ATOM 385 C LEU A 25 -2.150 -10.150 -23.624 1.00 0.00 C ATOM 386 O LEU A 25 -3.325 -9.799 -23.464 1.00 0.00 O ATOM 387 CB LEU A 25 -0.648 -8.170 -23.263 1.00 0.00 C ATOM 388 CG LEU A 25 0.749 -7.533 -23.493 1.00 0.00 C ATOM 389 CD1 LEU A 25 1.033 -7.086 -24.939 1.00 0.00 C ATOM 390 CD2 LEU A 25 0.979 -6.361 -22.516 1.00 0.00 C ATOM 0 HA LEU A 25 -0.300 -9.805 -24.722 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.386 -7.369 -23.216 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.645 -8.659 -22.289 1.00 0.00 H new ATOM 0 HG LEU A 25 1.460 -8.335 -23.295 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.032 -6.655 -24.997 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.970 -7.947 -25.605 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.298 -6.340 -25.240 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.963 -5.928 -22.693 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.214 -5.601 -22.674 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.922 -6.726 -21.490 1.00 0.00 H new ATOM 402 N THR A 26 -1.732 -11.381 -23.262 1.00 0.00 N ATOM 403 CA THR A 26 -2.696 -12.435 -22.803 1.00 0.00 C ATOM 404 C THR A 26 -3.066 -12.268 -21.294 1.00 0.00 C ATOM 405 O THR A 26 -2.837 -11.210 -20.701 1.00 0.00 O ATOM 406 CB THR A 26 -2.164 -13.823 -23.144 1.00 0.00 C ATOM 407 OG1 THR A 26 -0.746 -13.884 -23.005 1.00 0.00 O ATOM 408 CG2 THR A 26 -2.507 -14.102 -24.622 1.00 0.00 C ATOM 0 H THR A 26 -0.756 -11.678 -23.273 1.00 0.00 H new ATOM 0 HA THR A 26 -3.633 -12.310 -23.345 1.00 0.00 H new ATOM 0 HB THR A 26 -2.613 -14.551 -22.468 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.494 -13.615 -22.097 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.140 -15.090 -24.901 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.588 -14.065 -24.758 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.036 -13.349 -25.253 1.00 0.00 H new ATOM 416 N GLU A 27 -3.664 -13.284 -20.647 1.00 0.00 N ATOM 417 CA GLU A 27 -4.242 -13.136 -19.286 1.00 0.00 C ATOM 418 C GLU A 27 -3.216 -12.734 -18.169 1.00 0.00 C ATOM 419 O GLU A 27 -3.498 -11.782 -17.435 1.00 0.00 O ATOM 420 CB GLU A 27 -4.969 -14.429 -18.848 1.00 0.00 C ATOM 421 CG GLU A 27 -5.847 -14.262 -17.594 1.00 0.00 C ATOM 422 CD GLU A 27 -6.623 -15.553 -17.343 1.00 0.00 C ATOM 423 OE1 GLU A 27 -7.417 -15.944 -18.239 1.00 0.00 O ATOM 424 OE2 GLU A 27 -6.433 -16.160 -16.256 1.00 0.00 O ATOM 0 H GLU A 27 -3.763 -14.220 -21.040 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.942 -12.306 -19.383 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.592 -14.779 -19.671 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.227 -15.204 -18.658 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.226 -14.024 -16.731 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.538 -13.430 -17.728 1.00 0.00 H new ATOM 431 N GLU A 28 -2.023 -13.360 -18.093 1.00 0.00 N ATOM 432 CA GLU A 28 -0.911 -12.896 -17.213 1.00 0.00 C ATOM 433 C GLU A 28 -0.428 -11.432 -17.527 1.00 0.00 C ATOM 434 O GLU A 28 -0.473 -10.589 -16.634 1.00 0.00 O ATOM 435 CB GLU A 28 0.278 -13.904 -17.212 1.00 0.00 C ATOM 436 CG GLU A 28 1.124 -14.060 -18.503 1.00 0.00 C ATOM 437 CD GLU A 28 0.263 -14.237 -19.751 1.00 0.00 C ATOM 438 OE1 GLU A 28 -0.518 -15.221 -19.816 1.00 0.00 O ATOM 439 OE2 GLU A 28 0.326 -13.347 -20.642 1.00 0.00 O ATOM 0 H GLU A 28 -1.797 -14.196 -18.632 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.326 -12.861 -16.205 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.954 -13.617 -16.407 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.121 -14.886 -16.958 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.759 -13.182 -18.625 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.786 -14.920 -18.398 1.00 0.00 H new ATOM 446 N GLN A 29 -0.058 -11.100 -18.785 1.00 0.00 N ATOM 447 CA GLN A 29 0.420 -9.732 -19.159 1.00 0.00 C ATOM 448 C GLN A 29 -0.651 -8.589 -19.048 1.00 0.00 C ATOM 449 O GLN A 29 -0.346 -7.500 -18.559 1.00 0.00 O ATOM 450 CB GLN A 29 1.042 -9.768 -20.562 1.00 0.00 C ATOM 451 CG GLN A 29 2.337 -10.597 -20.629 1.00 0.00 C ATOM 452 CD GLN A 29 2.638 -10.923 -22.094 1.00 0.00 C ATOM 453 OE1 GLN A 29 3.413 -10.228 -22.761 1.00 0.00 O ATOM 454 NE2 GLN A 29 1.982 -12.010 -22.600 1.00 0.00 N ATOM 0 H GLN A 29 -0.078 -11.756 -19.566 1.00 0.00 H new ATOM 0 HA GLN A 29 1.170 -9.468 -18.413 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.317 -10.181 -21.263 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.253 -8.749 -20.885 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.164 -10.041 -20.188 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.227 -11.516 -20.053 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.353 -12.549 -22.005 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.121 -12.282 -23.573 1.00 0.00 H new ATOM 463 N LYS A 30 -1.896 -8.841 -19.484 1.00 0.00 N ATOM 464 CA LYS A 30 -3.073 -7.946 -19.252 1.00 0.00 C ATOM 465 C LYS A 30 -3.377 -7.683 -17.732 1.00 0.00 C ATOM 466 O LYS A 30 -3.545 -6.531 -17.317 1.00 0.00 O ATOM 467 CB LYS A 30 -4.321 -8.503 -19.973 1.00 0.00 C ATOM 468 CG LYS A 30 -5.398 -7.461 -20.314 1.00 0.00 C ATOM 469 CD LYS A 30 -6.417 -8.009 -21.327 1.00 0.00 C ATOM 470 CE LYS A 30 -7.399 -6.946 -21.843 1.00 0.00 C ATOM 471 NZ LYS A 30 -8.298 -7.500 -22.884 1.00 0.00 N ATOM 0 H LYS A 30 -2.131 -9.679 -20.016 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.810 -6.976 -19.675 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.002 -8.988 -20.896 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.769 -9.274 -19.346 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.916 -7.161 -19.403 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.924 -6.568 -20.721 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.881 -8.439 -22.173 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.981 -8.818 -20.862 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.993 -6.564 -21.013 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.843 -6.102 -22.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.949 -6.758 -23.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.731 -7.842 -23.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.846 -8.289 -22.485 1.00 0.00 H new ATOM 485 N GLN A 31 -3.408 -8.747 -16.903 1.00 0.00 N ATOM 486 CA GLN A 31 -3.456 -8.622 -15.414 1.00 0.00 C ATOM 487 C GLN A 31 -2.225 -7.865 -14.790 1.00 0.00 C ATOM 488 O GLN A 31 -2.450 -7.035 -13.906 1.00 0.00 O ATOM 489 CB GLN A 31 -3.569 -10.023 -14.756 1.00 0.00 C ATOM 490 CG GLN A 31 -3.658 -10.057 -13.213 1.00 0.00 C ATOM 491 CD GLN A 31 -2.287 -10.374 -12.595 1.00 0.00 C ATOM 492 OE1 GLN A 31 -1.796 -11.500 -12.732 1.00 0.00 O ATOM 493 NE2 GLN A 31 -1.667 -9.373 -11.904 1.00 0.00 N ATOM 0 H GLN A 31 -3.401 -9.712 -17.233 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.340 -8.019 -15.205 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.452 -10.519 -15.159 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -2.705 -10.613 -15.061 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.015 -9.096 -12.843 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.385 -10.808 -12.902 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.113 -8.460 -11.819 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.757 -9.538 -11.473 1.00 0.00 H new ATOM 502 N GLU A 32 -0.970 -8.096 -15.240 1.00 0.00 N ATOM 503 CA GLU A 32 0.223 -7.280 -14.840 1.00 0.00 C ATOM 504 C GLU A 32 0.093 -5.737 -15.094 1.00 0.00 C ATOM 505 O GLU A 32 0.385 -4.960 -14.183 1.00 0.00 O ATOM 506 CB GLU A 32 1.521 -7.738 -15.544 1.00 0.00 C ATOM 507 CG GLU A 32 2.046 -9.101 -15.054 1.00 0.00 C ATOM 508 CD GLU A 32 3.255 -9.549 -15.881 1.00 0.00 C ATOM 509 OE1 GLU A 32 3.654 -8.813 -16.822 1.00 0.00 O ATOM 510 OE2 GLU A 32 3.795 -10.643 -15.572 1.00 0.00 O ATOM 0 H GLU A 32 -0.745 -8.850 -15.890 1.00 0.00 H new ATOM 0 HA GLU A 32 0.270 -7.454 -13.765 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.341 -7.793 -16.618 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.293 -6.984 -15.388 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.325 -9.031 -14.003 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.255 -9.847 -15.125 1.00 0.00 H new ATOM 517 N ILE A 33 -0.358 -5.275 -16.282 1.00 0.00 N ATOM 518 CA ILE A 33 -0.595 -3.817 -16.544 1.00 0.00 C ATOM 519 C ILE A 33 -1.769 -3.239 -15.674 1.00 0.00 C ATOM 520 O ILE A 33 -1.553 -2.178 -15.076 1.00 0.00 O ATOM 521 CB ILE A 33 -0.835 -3.639 -18.057 1.00 0.00 C ATOM 522 CG1 ILE A 33 0.495 -3.368 -18.811 1.00 0.00 C ATOM 523 CG2 ILE A 33 -1.867 -2.547 -18.405 1.00 0.00 C ATOM 524 CD1 ILE A 33 1.465 -4.552 -18.873 1.00 0.00 C ATOM 0 H ILE A 33 -0.567 -5.878 -17.077 1.00 0.00 H new ATOM 0 HA ILE A 33 0.282 -3.242 -16.246 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.259 -4.586 -18.390 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.260 -3.059 -19.829 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.001 -2.530 -18.332 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.979 -2.484 -19.487 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.828 -2.797 -17.955 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.525 -1.587 -18.019 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.361 -4.260 -19.420 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.739 -4.852 -17.861 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.986 -5.388 -19.382 1.00 0.00 H new ATOM 536 N ARG A 34 -2.974 -3.864 -15.549 1.00 0.00 N ATOM 537 CA ARG A 34 -4.008 -3.336 -14.608 1.00 0.00 C ATOM 538 C ARG A 34 -3.559 -3.370 -13.112 1.00 0.00 C ATOM 539 O ARG A 34 -3.674 -2.331 -12.465 1.00 0.00 O ATOM 540 CB ARG A 34 -5.371 -4.073 -14.733 1.00 0.00 C ATOM 541 CG ARG A 34 -6.518 -3.434 -13.917 1.00 0.00 C ATOM 542 CD ARG A 34 -6.746 -4.054 -12.523 1.00 0.00 C ATOM 543 NE ARG A 34 -7.473 -3.079 -11.641 1.00 0.00 N ATOM 544 CZ ARG A 34 -8.833 -2.979 -11.527 1.00 0.00 C ATOM 545 NH1 ARG A 34 -9.668 -3.744 -12.284 1.00 0.00 N ATOM 546 NH2 ARG A 34 -9.339 -2.087 -10.625 1.00 0.00 N ATOM 0 H ARG A 34 -3.248 -4.700 -16.064 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.133 -2.296 -14.911 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.660 -4.101 -15.784 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.243 -5.106 -14.410 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.310 -2.371 -13.796 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.441 -3.515 -14.490 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.323 -4.974 -12.615 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.790 -4.321 -12.073 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.907 -2.440 -11.082 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.283 -4.410 -12.954 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -10.679 -3.651 -12.181 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.707 -1.519 -10.060 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.348 -1.989 -10.516 1.00 0.00 H new ATOM 560 N GLU A 35 -3.029 -4.487 -12.577 1.00 0.00 N ATOM 561 CA GLU A 35 -2.474 -4.538 -11.191 1.00 0.00 C ATOM 562 C GLU A 35 -1.299 -3.522 -10.913 1.00 0.00 C ATOM 563 O GLU A 35 -1.339 -2.846 -9.884 1.00 0.00 O ATOM 564 CB GLU A 35 -2.034 -5.984 -10.860 1.00 0.00 C ATOM 565 CG GLU A 35 -1.755 -6.289 -9.373 1.00 0.00 C ATOM 566 CD GLU A 35 -0.272 -6.203 -8.999 1.00 0.00 C ATOM 567 OE1 GLU A 35 0.571 -5.899 -9.883 1.00 0.00 O ATOM 568 OE2 GLU A 35 0.028 -6.475 -7.806 1.00 0.00 O ATOM 0 H GLU A 35 -2.969 -5.374 -13.078 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.282 -4.223 -10.530 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.809 -6.666 -11.210 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.132 -6.206 -11.430 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.318 -5.590 -8.755 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.123 -7.288 -9.140 1.00 0.00 H new ATOM 575 N ALA A 36 -0.325 -3.317 -11.836 1.00 0.00 N ATOM 576 CA ALA A 36 0.696 -2.237 -11.703 1.00 0.00 C ATOM 577 C ALA A 36 0.134 -0.775 -11.645 1.00 0.00 C ATOM 578 O ALA A 36 0.380 -0.046 -10.672 1.00 0.00 O ATOM 579 CB ALA A 36 1.718 -2.275 -12.859 1.00 0.00 C ATOM 0 H ALA A 36 -0.222 -3.882 -12.679 1.00 0.00 H new ATOM 0 HA ALA A 36 1.154 -2.459 -10.739 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.445 -1.474 -12.728 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.232 -3.236 -12.858 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.199 -2.142 -13.808 1.00 0.00 H new ATOM 585 N PHE A 37 -0.651 -0.352 -12.659 1.00 0.00 N ATOM 586 CA PHE A 37 -1.325 0.976 -12.639 1.00 0.00 C ATOM 587 C PHE A 37 -2.319 1.167 -11.447 1.00 0.00 C ATOM 588 O PHE A 37 -2.263 2.223 -10.826 1.00 0.00 O ATOM 589 CB PHE A 37 -2.141 1.134 -13.948 1.00 0.00 C ATOM 590 CG PHE A 37 -2.404 2.576 -14.295 1.00 0.00 C ATOM 591 CD1 PHE A 37 -3.425 3.314 -13.669 1.00 0.00 C ATOM 592 CD2 PHE A 37 -1.641 3.192 -15.299 1.00 0.00 C ATOM 593 CE1 PHE A 37 -3.645 4.654 -14.011 1.00 0.00 C ATOM 594 CE2 PHE A 37 -1.897 4.509 -15.683 1.00 0.00 C ATOM 595 CZ PHE A 37 -2.872 5.250 -15.011 1.00 0.00 C ATOM 0 H PHE A 37 -0.836 -0.902 -13.498 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.535 1.719 -12.533 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.602 0.659 -14.768 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.091 0.610 -13.845 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.044 2.844 -12.919 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.847 2.641 -15.780 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.409 5.225 -13.504 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.343 4.954 -16.497 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.029 6.288 -15.265 1.00 0.00 H new ATOM 605 N ASP A 38 -3.153 0.176 -11.087 1.00 0.00 N ATOM 606 CA ASP A 38 -3.973 0.192 -9.836 1.00 0.00 C ATOM 607 C ASP A 38 -3.139 0.243 -8.493 1.00 0.00 C ATOM 608 O ASP A 38 -3.544 0.948 -7.567 1.00 0.00 O ATOM 609 CB ASP A 38 -4.858 -1.089 -9.827 1.00 0.00 C ATOM 610 CG ASP A 38 -6.068 -1.030 -8.894 1.00 0.00 C ATOM 611 OD1 ASP A 38 -5.889 -1.132 -7.656 1.00 0.00 O ATOM 612 OD2 ASP A 38 -7.206 -0.948 -9.436 1.00 0.00 O ATOM 0 H ASP A 38 -3.287 -0.665 -11.648 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.556 1.113 -9.857 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.209 -1.277 -10.842 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.238 -1.939 -9.541 1.00 0.00 H new ATOM 617 N LEU A 39 -1.968 -0.435 -8.376 1.00 0.00 N ATOM 618 CA LEU A 39 -1.018 -0.253 -7.229 1.00 0.00 C ATOM 619 C LEU A 39 -0.599 1.238 -6.992 1.00 0.00 C ATOM 620 O LEU A 39 -0.644 1.717 -5.855 1.00 0.00 O ATOM 621 CB LEU A 39 0.300 -1.064 -7.348 1.00 0.00 C ATOM 622 CG LEU A 39 0.182 -2.568 -7.012 1.00 0.00 C ATOM 623 CD1 LEU A 39 1.456 -3.315 -7.454 1.00 0.00 C ATOM 624 CD2 LEU A 39 -0.115 -2.825 -5.520 1.00 0.00 C ATOM 0 H LEU A 39 -1.651 -1.119 -9.063 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.606 -0.627 -6.391 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.678 -0.964 -8.365 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.043 -0.618 -6.687 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.672 -2.955 -7.568 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.360 -4.373 -7.212 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.591 -3.200 -8.530 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.320 -2.901 -6.934 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.187 -3.898 -5.343 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.689 -2.410 -4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.057 -2.349 -5.249 1.00 0.00 H new ATOM 636 N PHE A 40 -0.192 1.948 -8.061 1.00 0.00 N ATOM 637 CA PHE A 40 0.141 3.402 -7.979 1.00 0.00 C ATOM 638 C PHE A 40 -1.130 4.325 -7.970 1.00 0.00 C ATOM 639 O PHE A 40 -1.210 5.224 -7.128 1.00 0.00 O ATOM 640 CB PHE A 40 1.137 3.838 -9.065 1.00 0.00 C ATOM 641 CG PHE A 40 2.403 3.042 -8.855 1.00 0.00 C ATOM 642 CD1 PHE A 40 3.240 3.325 -7.760 1.00 0.00 C ATOM 643 CD2 PHE A 40 2.714 1.946 -9.677 1.00 0.00 C ATOM 644 CE1 PHE A 40 4.348 2.515 -7.481 1.00 0.00 C ATOM 645 CE2 PHE A 40 3.810 1.124 -9.392 1.00 0.00 C ATOM 646 CZ PHE A 40 4.628 1.408 -8.293 1.00 0.00 C ATOM 0 H PHE A 40 -0.083 1.549 -8.993 1.00 0.00 H new ATOM 0 HA PHE A 40 0.631 3.532 -7.014 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.728 3.655 -10.058 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.339 4.907 -8.995 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.026 4.175 -7.129 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.099 1.735 -10.540 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.986 2.744 -6.640 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.024 0.272 -10.020 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.474 0.775 -8.071 1.00 0.00 H new ATOM 656 N ASP A 41 -2.151 4.079 -8.814 1.00 0.00 N ATOM 657 CA ASP A 41 -3.477 4.752 -8.738 1.00 0.00 C ATOM 658 C ASP A 41 -4.413 4.032 -7.699 1.00 0.00 C ATOM 659 O ASP A 41 -5.346 3.304 -8.052 1.00 0.00 O ATOM 660 CB ASP A 41 -4.131 4.732 -10.153 1.00 0.00 C ATOM 661 CG ASP A 41 -5.216 5.786 -10.331 1.00 0.00 C ATOM 662 OD1 ASP A 41 -4.868 6.927 -10.743 1.00 0.00 O ATOM 663 OD2 ASP A 41 -6.410 5.489 -10.076 1.00 0.00 O ATOM 0 H ASP A 41 -2.085 3.404 -9.576 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.339 5.781 -8.406 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.357 4.886 -10.905 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.559 3.746 -10.334 1.00 0.00 H new ATOM 668 N ALA A 42 -4.146 4.235 -6.394 1.00 0.00 N ATOM 669 CA ALA A 42 -4.809 3.440 -5.309 1.00 0.00 C ATOM 670 C ALA A 42 -6.316 3.748 -5.031 1.00 0.00 C ATOM 671 O ALA A 42 -7.116 2.816 -4.904 1.00 0.00 O ATOM 672 CB ALA A 42 -4.069 3.615 -3.969 1.00 0.00 C ATOM 0 H ALA A 42 -3.484 4.933 -6.054 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.759 2.424 -5.701 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.569 3.029 -3.198 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.039 3.273 -4.075 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.074 4.667 -3.685 1.00 0.00 H new ATOM 678 N ASP A 43 -6.698 5.029 -4.912 1.00 0.00 N ATOM 679 CA ASP A 43 -8.102 5.448 -4.629 1.00 0.00 C ATOM 680 C ASP A 43 -9.037 5.623 -5.886 1.00 0.00 C ATOM 681 O ASP A 43 -10.249 5.792 -5.717 1.00 0.00 O ATOM 682 CB ASP A 43 -8.146 6.813 -3.893 1.00 0.00 C ATOM 683 CG ASP A 43 -7.441 6.707 -2.542 1.00 0.00 C ATOM 684 OD1 ASP A 43 -7.955 5.967 -1.663 1.00 0.00 O ATOM 685 OD2 ASP A 43 -6.381 7.367 -2.376 1.00 0.00 O ATOM 0 H ASP A 43 -6.051 5.812 -5.007 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.475 4.618 -4.030 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.666 7.579 -4.503 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.181 7.123 -3.748 1.00 0.00 H new ATOM 690 N GLY A 44 -8.505 5.602 -7.124 1.00 0.00 N ATOM 691 CA GLY A 44 -9.259 5.948 -8.354 1.00 0.00 C ATOM 692 C GLY A 44 -9.070 7.429 -8.736 1.00 0.00 C ATOM 693 O GLY A 44 -9.897 8.273 -8.384 1.00 0.00 O ATOM 0 H GLY A 44 -7.535 5.344 -7.304 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.926 5.314 -9.176 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.319 5.743 -8.202 1.00 0.00 H new ATOM 697 N THR A 45 -7.969 7.731 -9.436 1.00 0.00 N ATOM 698 CA THR A 45 -7.521 9.132 -9.699 1.00 0.00 C ATOM 699 C THR A 45 -7.460 9.425 -11.230 1.00 0.00 C ATOM 700 O THR A 45 -8.253 10.236 -11.721 1.00 0.00 O ATOM 701 CB THR A 45 -6.219 9.519 -8.996 1.00 0.00 C ATOM 702 OG1 THR A 45 -5.455 8.381 -8.609 1.00 0.00 O ATOM 703 CG2 THR A 45 -6.580 10.303 -7.717 1.00 0.00 C ATOM 0 H THR A 45 -7.356 7.024 -9.841 1.00 0.00 H new ATOM 0 HA THR A 45 -8.282 9.772 -9.253 1.00 0.00 H new ATOM 0 HB THR A 45 -5.623 10.110 -9.692 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.965 8.037 -9.385 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.666 10.591 -7.197 1.00 0.00 H new ATOM 0 HG22 THR A 45 -7.142 11.198 -7.985 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.187 9.675 -7.064 1.00 0.00 H new ATOM 711 N GLY A 46 -6.526 8.813 -11.978 1.00 0.00 N ATOM 712 CA GLY A 46 -6.287 9.169 -13.404 1.00 0.00 C ATOM 713 C GLY A 46 -4.850 8.868 -13.856 1.00 0.00 C ATOM 714 O GLY A 46 -4.640 7.951 -14.647 1.00 0.00 O ATOM 0 H GLY A 46 -5.921 8.070 -11.628 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.985 8.618 -14.034 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.495 10.229 -13.550 1.00 0.00 H new ATOM 718 N THR A 47 -3.884 9.694 -13.420 1.00 0.00 N ATOM 719 CA THR A 47 -2.477 9.612 -13.911 1.00 0.00 C ATOM 720 C THR A 47 -1.508 8.995 -12.859 1.00 0.00 C ATOM 721 O THR A 47 -1.534 9.312 -11.668 1.00 0.00 O ATOM 722 CB THR A 47 -1.915 10.950 -14.383 1.00 0.00 C ATOM 723 OG1 THR A 47 -2.037 11.959 -13.385 1.00 0.00 O ATOM 724 CG2 THR A 47 -2.685 11.391 -15.644 1.00 0.00 C ATOM 0 H THR A 47 -4.040 10.429 -12.730 1.00 0.00 H new ATOM 0 HA THR A 47 -2.536 8.948 -14.773 1.00 0.00 H new ATOM 0 HB THR A 47 -0.854 10.819 -14.597 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.665 12.800 -13.723 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.294 12.347 -15.993 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.563 10.641 -16.426 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.743 11.497 -15.406 1.00 0.00 H new ATOM 732 N ILE A 48 -0.616 8.142 -13.377 1.00 0.00 N ATOM 733 CA ILE A 48 0.550 7.597 -12.630 1.00 0.00 C ATOM 734 C ILE A 48 1.752 8.385 -13.241 1.00 0.00 C ATOM 735 O ILE A 48 2.009 8.351 -14.456 1.00 0.00 O ATOM 736 CB ILE A 48 0.763 6.085 -12.841 1.00 0.00 C ATOM 737 CG1 ILE A 48 2.043 5.577 -12.139 1.00 0.00 C ATOM 738 CG2 ILE A 48 0.771 5.692 -14.336 1.00 0.00 C ATOM 739 CD1 ILE A 48 2.379 4.106 -12.415 1.00 0.00 C ATOM 0 H ILE A 48 -0.674 7.800 -14.336 1.00 0.00 H new ATOM 0 HA ILE A 48 0.420 7.712 -11.554 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.093 5.595 -12.378 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.884 6.194 -12.454 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.932 5.715 -11.064 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.924 4.617 -14.429 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.183 5.963 -14.789 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.577 6.219 -14.846 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.291 3.835 -11.883 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.559 3.475 -12.073 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.526 3.961 -13.485 1.00 0.00 H new ATOM 751 N ASP A 49 2.471 9.108 -12.379 1.00 0.00 N ATOM 752 CA ASP A 49 3.505 10.085 -12.826 1.00 0.00 C ATOM 753 C ASP A 49 4.937 9.480 -12.722 1.00 0.00 C ATOM 754 O ASP A 49 5.191 8.455 -12.087 1.00 0.00 O ATOM 755 CB ASP A 49 3.474 11.422 -12.036 1.00 0.00 C ATOM 756 CG ASP A 49 2.209 12.244 -12.322 1.00 0.00 C ATOM 757 OD1 ASP A 49 1.349 11.815 -13.136 1.00 0.00 O ATOM 758 OD2 ASP A 49 2.103 13.348 -11.719 1.00 0.00 O ATOM 0 H ASP A 49 2.367 9.046 -11.366 1.00 0.00 H new ATOM 0 HA ASP A 49 3.261 10.302 -13.866 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.533 11.211 -10.968 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.353 12.013 -12.293 1.00 0.00 H new ATOM 763 N VAL A 50 5.874 10.123 -13.436 1.00 0.00 N ATOM 764 CA VAL A 50 7.261 9.634 -13.688 1.00 0.00 C ATOM 765 C VAL A 50 8.042 8.963 -12.498 1.00 0.00 C ATOM 766 O VAL A 50 8.685 7.937 -12.723 1.00 0.00 O ATOM 767 CB VAL A 50 8.102 10.713 -14.373 1.00 0.00 C ATOM 768 CG1 VAL A 50 8.286 11.953 -13.472 1.00 0.00 C ATOM 769 CG2 VAL A 50 9.435 10.143 -14.907 1.00 0.00 C ATOM 0 H VAL A 50 5.693 11.027 -13.873 1.00 0.00 H new ATOM 0 HA VAL A 50 7.098 8.787 -14.355 1.00 0.00 H new ATOM 0 HB VAL A 50 7.551 11.059 -15.247 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.889 12.696 -13.994 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.311 12.378 -13.235 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.789 11.661 -12.550 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.005 10.939 -15.387 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.012 9.732 -14.079 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.229 9.356 -15.632 1.00 0.00 H new ATOM 779 N LYS A 51 7.969 9.481 -11.261 1.00 0.00 N ATOM 780 CA LYS A 51 8.494 8.790 -10.034 1.00 0.00 C ATOM 781 C LYS A 51 7.887 7.346 -9.804 1.00 0.00 C ATOM 782 O LYS A 51 8.611 6.341 -9.780 1.00 0.00 O ATOM 783 CB LYS A 51 8.178 9.620 -8.765 1.00 0.00 C ATOM 784 CG LYS A 51 8.666 11.078 -8.834 1.00 0.00 C ATOM 785 CD LYS A 51 8.190 11.916 -7.634 1.00 0.00 C ATOM 786 CE LYS A 51 8.547 13.404 -7.768 1.00 0.00 C ATOM 787 NZ LYS A 51 7.991 14.198 -6.646 1.00 0.00 N ATOM 0 H LYS A 51 7.548 10.389 -11.065 1.00 0.00 H new ATOM 0 HA LYS A 51 9.566 8.694 -10.204 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.101 9.616 -8.599 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.635 9.135 -7.903 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.755 11.092 -8.873 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.308 11.534 -9.757 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.110 11.814 -7.531 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.636 11.521 -6.721 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.631 13.519 -7.795 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.163 13.788 -8.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.250 15.198 -6.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.955 14.107 -6.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.378 13.846 -5.747 1.00 0.00 H new ATOM 801 N GLU A 52 6.544 7.275 -9.682 1.00 0.00 N ATOM 802 CA GLU A 52 5.751 6.016 -9.674 1.00 0.00 C ATOM 803 C GLU A 52 5.952 5.131 -10.957 1.00 0.00 C ATOM 804 O GLU A 52 6.204 3.937 -10.818 1.00 0.00 O ATOM 805 CB GLU A 52 4.260 6.375 -9.590 1.00 0.00 C ATOM 806 CG GLU A 52 3.901 7.269 -8.392 1.00 0.00 C ATOM 807 CD GLU A 52 2.471 7.763 -8.582 1.00 0.00 C ATOM 808 OE1 GLU A 52 2.232 8.488 -9.587 1.00 0.00 O ATOM 809 OE2 GLU A 52 1.608 7.418 -7.735 1.00 0.00 O ATOM 0 H GLU A 52 5.963 8.108 -9.584 1.00 0.00 H new ATOM 0 HA GLU A 52 6.097 5.439 -8.817 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.966 6.881 -10.509 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.678 5.455 -9.532 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.990 6.711 -7.460 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.589 8.112 -8.326 1.00 0.00 H new ATOM 816 N LEU A 53 5.900 5.697 -12.190 1.00 0.00 N ATOM 817 CA LEU A 53 6.255 4.963 -13.443 1.00 0.00 C ATOM 818 C LEU A 53 7.695 4.337 -13.498 1.00 0.00 C ATOM 819 O LEU A 53 7.867 3.230 -14.006 1.00 0.00 O ATOM 820 CB LEU A 53 6.086 5.897 -14.669 1.00 0.00 C ATOM 821 CG LEU A 53 5.134 5.364 -15.765 1.00 0.00 C ATOM 822 CD1 LEU A 53 4.899 6.447 -16.832 1.00 0.00 C ATOM 823 CD2 LEU A 53 5.607 4.047 -16.408 1.00 0.00 C ATOM 0 H LEU A 53 5.615 6.663 -12.348 1.00 0.00 H new ATOM 0 HA LEU A 53 5.564 4.120 -13.458 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.716 6.862 -14.324 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.066 6.072 -15.113 1.00 0.00 H new ATOM 0 HG LEU A 53 4.191 5.127 -15.272 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.227 6.062 -17.599 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.452 7.326 -16.366 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.850 6.722 -17.287 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.890 3.734 -17.167 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.582 4.198 -16.871 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.684 3.275 -15.642 1.00 0.00 H new ATOM 835 N LYS A 54 8.714 5.018 -12.964 1.00 0.00 N ATOM 836 CA LYS A 54 10.090 4.471 -12.765 1.00 0.00 C ATOM 837 C LYS A 54 10.182 3.225 -11.827 1.00 0.00 C ATOM 838 O LYS A 54 10.742 2.205 -12.238 1.00 0.00 O ATOM 839 CB LYS A 54 11.058 5.563 -12.258 1.00 0.00 C ATOM 840 CG LYS A 54 12.540 5.257 -12.530 1.00 0.00 C ATOM 841 CD LYS A 54 13.459 6.422 -12.127 1.00 0.00 C ATOM 842 CE LYS A 54 14.922 6.257 -12.566 1.00 0.00 C ATOM 843 NZ LYS A 54 15.053 6.266 -14.044 1.00 0.00 N ATOM 0 H LYS A 54 8.620 5.983 -12.647 1.00 0.00 H new ATOM 0 HA LYS A 54 10.384 4.127 -13.757 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.800 6.511 -12.730 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.915 5.692 -11.185 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.831 4.361 -11.981 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.676 5.040 -13.590 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.066 7.344 -12.555 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.428 6.535 -11.043 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.523 7.062 -12.142 1.00 0.00 H new ATOM 0 HE3 LYS A 54 15.318 5.321 -12.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.059 6.306 -14.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.629 5.401 -14.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.562 7.097 -14.431 1.00 0.00 H new ATOM 857 N VAL A 55 9.636 3.284 -10.590 1.00 0.00 N ATOM 858 CA VAL A 55 9.492 2.051 -9.730 1.00 0.00 C ATOM 859 C VAL A 55 8.535 0.963 -10.355 1.00 0.00 C ATOM 860 O VAL A 55 8.803 -0.240 -10.230 1.00 0.00 O ATOM 861 CB VAL A 55 9.140 2.346 -8.278 1.00 0.00 C ATOM 862 CG1 VAL A 55 10.336 3.079 -7.633 1.00 0.00 C ATOM 863 CG2 VAL A 55 7.849 3.175 -8.168 1.00 0.00 C ATOM 0 H VAL A 55 9.291 4.142 -10.159 1.00 0.00 H new ATOM 0 HA VAL A 55 10.492 1.619 -9.714 1.00 0.00 H new ATOM 0 HB VAL A 55 8.950 1.412 -7.749 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.107 3.301 -6.591 1.00 0.00 H new ATOM 0 HG12 VAL A 55 11.221 2.445 -7.683 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.525 4.009 -8.169 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.628 3.367 -7.118 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.980 4.123 -8.690 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.023 2.624 -8.618 1.00 0.00 H new ATOM 873 N ALA A 56 7.476 1.383 -11.076 1.00 0.00 N ATOM 874 CA ALA A 56 6.634 0.465 -11.901 1.00 0.00 C ATOM 875 C ALA A 56 7.435 -0.274 -13.027 1.00 0.00 C ATOM 876 O ALA A 56 7.327 -1.492 -13.158 1.00 0.00 O ATOM 877 CB ALA A 56 5.458 1.184 -12.591 1.00 0.00 C ATOM 0 H ALA A 56 7.174 2.357 -11.110 1.00 0.00 H new ATOM 0 HA ALA A 56 6.264 -0.257 -11.173 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.884 0.465 -13.175 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.814 1.635 -11.836 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.843 1.962 -13.250 1.00 0.00 H new ATOM 883 N MET A 57 8.285 0.455 -13.780 1.00 0.00 N ATOM 884 CA MET A 57 9.271 -0.117 -14.735 1.00 0.00 C ATOM 885 C MET A 57 10.361 -1.042 -14.090 1.00 0.00 C ATOM 886 O MET A 57 10.816 -1.979 -14.752 1.00 0.00 O ATOM 887 CB MET A 57 9.994 1.051 -15.464 1.00 0.00 C ATOM 888 CG MET A 57 11.174 0.691 -16.391 1.00 0.00 C ATOM 889 SD MET A 57 12.827 0.712 -15.614 1.00 0.00 S ATOM 890 CE MET A 57 13.706 0.121 -17.090 1.00 0.00 C ATOM 0 H MET A 57 8.310 1.474 -13.745 1.00 0.00 H new ATOM 0 HA MET A 57 8.696 -0.749 -15.412 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.253 1.588 -16.056 1.00 0.00 H new ATOM 0 HB3 MET A 57 10.360 1.744 -14.707 1.00 0.00 H new ATOM 0 HG2 MET A 57 10.999 -0.303 -16.802 1.00 0.00 H new ATOM 0 HG3 MET A 57 11.178 1.387 -17.230 1.00 0.00 H new ATOM 0 HE1 MET A 57 14.771 0.044 -16.873 1.00 0.00 H new ATOM 0 HE2 MET A 57 13.322 -0.859 -17.374 1.00 0.00 H new ATOM 0 HE3 MET A 57 13.553 0.823 -17.910 1.00 0.00 H new ATOM 900 N ARG A 58 10.782 -0.821 -12.824 1.00 0.00 N ATOM 901 CA ARG A 58 11.639 -1.796 -12.087 1.00 0.00 C ATOM 902 C ARG A 58 10.905 -3.181 -11.918 1.00 0.00 C ATOM 903 O ARG A 58 11.423 -4.175 -12.437 1.00 0.00 O ATOM 904 CB ARG A 58 12.040 -1.345 -10.664 1.00 0.00 C ATOM 905 CG ARG A 58 12.879 -0.060 -10.615 1.00 0.00 C ATOM 906 CD ARG A 58 13.219 0.332 -9.169 1.00 0.00 C ATOM 907 NE ARG A 58 13.910 1.664 -9.165 1.00 0.00 N ATOM 908 CZ ARG A 58 14.289 2.294 -8.010 1.00 0.00 C ATOM 909 NH1 ARG A 58 14.056 1.720 -6.792 1.00 0.00 N ATOM 910 NH2 ARG A 58 14.906 3.512 -8.075 1.00 0.00 N ATOM 0 H ARG A 58 10.548 0.015 -12.289 1.00 0.00 H new ATOM 0 HA ARG A 58 12.536 -1.872 -12.701 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.135 -1.195 -10.076 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.601 -2.148 -10.187 1.00 0.00 H new ATOM 0 HG2 ARG A 58 13.800 -0.203 -11.181 1.00 0.00 H new ATOM 0 HG3 ARG A 58 12.332 0.752 -11.095 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.310 0.379 -8.570 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.860 -0.424 -8.716 1.00 0.00 H new ATOM 0 HE ARG A 58 14.105 2.118 -10.057 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.595 0.812 -6.736 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.343 2.200 -5.939 1.00 0.00 H new ATOM 0 HH21 ARG A 58 15.082 3.947 -8.981 1.00 0.00 H new ATOM 0 HH22 ARG A 58 15.191 3.986 -7.218 1.00 0.00 H new ATOM 924 N ALA A 59 9.703 -3.244 -11.290 1.00 0.00 N ATOM 925 CA ALA A 59 8.900 -4.502 -11.225 1.00 0.00 C ATOM 926 C ALA A 59 8.352 -5.077 -12.582 1.00 0.00 C ATOM 927 O ALA A 59 8.563 -6.258 -12.857 1.00 0.00 O ATOM 928 CB ALA A 59 7.675 -4.317 -10.309 1.00 0.00 C ATOM 0 H ALA A 59 9.268 -2.448 -10.824 1.00 0.00 H new ATOM 0 HA ALA A 59 9.629 -5.220 -10.850 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.103 -5.244 -10.275 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.008 -4.059 -9.304 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.046 -3.517 -10.700 1.00 0.00 H new ATOM 934 N LEU A 60 7.662 -4.276 -13.421 1.00 0.00 N ATOM 935 CA LEU A 60 7.110 -4.731 -14.736 1.00 0.00 C ATOM 936 C LEU A 60 8.164 -4.984 -15.865 1.00 0.00 C ATOM 937 O LEU A 60 7.966 -5.883 -16.685 1.00 0.00 O ATOM 938 CB LEU A 60 6.091 -3.681 -15.258 1.00 0.00 C ATOM 939 CG LEU A 60 5.273 -4.062 -16.515 1.00 0.00 C ATOM 940 CD1 LEU A 60 4.451 -5.351 -16.324 1.00 0.00 C ATOM 941 CD2 LEU A 60 4.367 -2.891 -16.946 1.00 0.00 C ATOM 0 H LEU A 60 7.467 -3.296 -13.216 1.00 0.00 H new ATOM 0 HA LEU A 60 6.654 -5.698 -14.525 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.391 -3.458 -14.453 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.633 -2.760 -15.473 1.00 0.00 H new ATOM 0 HG LEU A 60 5.990 -4.267 -17.310 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.898 -5.569 -17.238 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.122 -6.180 -16.100 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.751 -5.217 -15.499 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.799 -3.177 -17.831 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.679 -2.647 -16.137 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.982 -2.020 -17.175 1.00 0.00 H new ATOM 953 N GLY A 61 9.260 -4.203 -15.940 1.00 0.00 N ATOM 954 CA GLY A 61 10.411 -4.508 -16.834 1.00 0.00 C ATOM 955 C GLY A 61 11.112 -5.879 -16.627 1.00 0.00 C ATOM 956 O GLY A 61 11.408 -6.549 -17.619 1.00 0.00 O ATOM 0 H GLY A 61 9.379 -3.351 -15.392 1.00 0.00 H new ATOM 0 HA2 GLY A 61 10.063 -4.456 -17.866 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.156 -3.723 -16.709 1.00 0.00 H new ATOM 960 N PHE A 62 11.381 -6.279 -15.361 1.00 0.00 N ATOM 961 CA PHE A 62 11.849 -7.644 -14.973 1.00 0.00 C ATOM 962 C PHE A 62 13.360 -7.794 -15.286 1.00 0.00 C ATOM 963 O PHE A 62 13.769 -7.700 -16.445 1.00 0.00 O ATOM 964 CB PHE A 62 11.129 -8.875 -15.600 1.00 0.00 C ATOM 965 CG PHE A 62 9.675 -8.952 -15.221 1.00 0.00 C ATOM 966 CD1 PHE A 62 9.294 -9.212 -13.892 1.00 0.00 C ATOM 967 CD2 PHE A 62 8.673 -8.833 -16.200 1.00 0.00 C ATOM 968 CE1 PHE A 62 7.942 -9.336 -13.549 1.00 0.00 C ATOM 969 CE2 PHE A 62 7.320 -8.954 -15.859 1.00 0.00 C ATOM 970 CZ PHE A 62 6.954 -9.204 -14.531 1.00 0.00 C ATOM 0 H PHE A 62 11.279 -5.655 -14.561 1.00 0.00 H new ATOM 0 HA PHE A 62 11.604 -7.677 -13.911 1.00 0.00 H new ATOM 0 HB2 PHE A 62 11.215 -8.827 -16.686 1.00 0.00 H new ATOM 0 HB3 PHE A 62 11.633 -9.787 -15.280 1.00 0.00 H new ATOM 0 HD1 PHE A 62 10.051 -9.317 -13.129 1.00 0.00 H new ATOM 0 HD2 PHE A 62 8.950 -8.646 -17.227 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.661 -9.534 -12.525 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.560 -8.855 -16.620 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.911 -9.295 -14.265 1.00 0.00 H new ATOM 980 N GLU A 63 14.161 -8.142 -14.278 1.00 0.00 N ATOM 981 CA GLU A 63 15.655 -8.241 -14.441 1.00 0.00 C ATOM 982 C GLU A 63 16.106 -9.208 -15.604 1.00 0.00 C ATOM 983 O GLU A 63 16.817 -8.674 -16.463 1.00 0.00 O ATOM 984 CB GLU A 63 16.369 -8.639 -13.120 1.00 0.00 C ATOM 985 CG GLU A 63 16.669 -7.467 -12.158 1.00 0.00 C ATOM 986 CD GLU A 63 15.437 -6.607 -11.903 1.00 0.00 C ATOM 987 OE1 GLU A 63 14.378 -7.165 -11.511 1.00 0.00 O ATOM 988 OE2 GLU A 63 15.526 -5.375 -12.146 1.00 0.00 O ATOM 0 H GLU A 63 13.827 -8.363 -13.340 1.00 0.00 H new ATOM 0 HA GLU A 63 15.964 -7.233 -14.719 1.00 0.00 H new ATOM 0 HB2 GLU A 63 15.751 -9.369 -12.597 1.00 0.00 H new ATOM 0 HB3 GLU A 63 17.308 -9.135 -13.368 1.00 0.00 H new ATOM 0 HG2 GLU A 63 17.038 -7.861 -11.211 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.462 -6.848 -12.577 1.00 0.00 H new ATOM 995 N PRO A 64 15.700 -10.498 -15.815 1.00 0.00 N ATOM 996 CA PRO A 64 16.011 -11.240 -17.078 1.00 0.00 C ATOM 997 C PRO A 64 15.623 -10.599 -18.467 1.00 0.00 C ATOM 998 O PRO A 64 16.181 -11.009 -19.487 1.00 0.00 O ATOM 999 CB PRO A 64 15.255 -12.565 -16.901 1.00 0.00 C ATOM 1000 CG PRO A 64 15.150 -12.752 -15.382 1.00 0.00 C ATOM 1001 CD PRO A 64 14.969 -11.324 -14.861 1.00 0.00 C ATOM 0 HA PRO A 64 17.096 -11.285 -17.168 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.269 -12.524 -17.364 1.00 0.00 H new ATOM 0 HB3 PRO A 64 15.791 -13.392 -17.366 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.307 -13.388 -15.113 1.00 0.00 H new ATOM 0 HG3 PRO A 64 16.045 -13.219 -14.972 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.916 -11.046 -14.819 1.00 0.00 H new ATOM 0 HD3 PRO A 64 15.368 -11.215 -13.852 1.00 0.00 H new ATOM 1009 N LYS A 65 14.654 -9.660 -18.516 1.00 0.00 N ATOM 1010 CA LYS A 65 14.246 -8.948 -19.757 1.00 0.00 C ATOM 1011 C LYS A 65 14.795 -7.477 -19.775 1.00 0.00 C ATOM 1012 O LYS A 65 15.885 -7.245 -20.299 1.00 0.00 O ATOM 1013 CB LYS A 65 12.703 -8.872 -19.858 1.00 0.00 C ATOM 1014 CG LYS A 65 12.030 -10.224 -20.143 1.00 0.00 C ATOM 1015 CD LYS A 65 10.493 -10.163 -20.252 1.00 0.00 C ATOM 1016 CE LYS A 65 9.933 -9.671 -21.602 1.00 0.00 C ATOM 1017 NZ LYS A 65 10.118 -8.219 -21.823 1.00 0.00 N ATOM 0 H LYS A 65 14.126 -9.369 -17.693 1.00 0.00 H new ATOM 0 HA LYS A 65 14.659 -9.509 -20.595 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.307 -8.470 -18.926 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.435 -8.170 -20.648 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.432 -10.627 -21.073 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.298 -10.923 -19.351 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.094 -11.158 -20.056 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.118 -9.509 -19.465 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.419 -10.218 -22.409 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.870 -9.906 -21.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.427 -7.884 -22.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.976 -7.711 -20.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.081 -8.041 -22.173 1.00 0.00 H new ATOM 1031 N LYS A 66 14.031 -6.482 -19.265 1.00 0.00 N ATOM 1032 CA LYS A 66 14.310 -5.012 -19.397 1.00 0.00 C ATOM 1033 C LYS A 66 14.733 -4.470 -20.817 1.00 0.00 C ATOM 1034 O LYS A 66 15.519 -3.521 -20.920 1.00 0.00 O ATOM 1035 CB LYS A 66 15.195 -4.418 -18.272 1.00 0.00 C ATOM 1036 CG LYS A 66 14.428 -4.325 -16.941 1.00 0.00 C ATOM 1037 CD LYS A 66 15.186 -3.608 -15.814 1.00 0.00 C ATOM 1038 CE LYS A 66 14.285 -3.281 -14.612 1.00 0.00 C ATOM 1039 NZ LYS A 66 13.768 -4.505 -13.967 1.00 0.00 N ATOM 0 H LYS A 66 13.180 -6.673 -18.736 1.00 0.00 H new ATOM 0 HA LYS A 66 13.301 -4.623 -19.264 1.00 0.00 H new ATOM 0 HB2 LYS A 66 16.082 -5.038 -18.140 1.00 0.00 H new ATOM 0 HB3 LYS A 66 15.540 -3.426 -18.564 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.486 -3.805 -17.115 1.00 0.00 H new ATOM 0 HG3 LYS A 66 14.179 -5.333 -16.609 1.00 0.00 H new ATOM 0 HD2 LYS A 66 16.015 -4.234 -15.483 1.00 0.00 H new ATOM 0 HD3 LYS A 66 15.618 -2.685 -16.201 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.847 -2.696 -13.884 1.00 0.00 H new ATOM 0 HE3 LYS A 66 13.450 -2.663 -14.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.862 -4.296 -13.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.625 -5.242 -14.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.452 -4.840 -13.259 1.00 0.00 H new ATOM 1053 N GLU A 67 14.114 -4.977 -21.901 1.00 0.00 N ATOM 1054 CA GLU A 67 14.245 -4.418 -23.277 1.00 0.00 C ATOM 1055 C GLU A 67 13.073 -3.426 -23.585 1.00 0.00 C ATOM 1056 O GLU A 67 11.972 -3.578 -23.052 1.00 0.00 O ATOM 1057 CB GLU A 67 14.298 -5.520 -24.376 1.00 0.00 C ATOM 1058 CG GLU A 67 12.964 -6.093 -24.923 1.00 0.00 C ATOM 1059 CD GLU A 67 12.106 -6.859 -23.913 1.00 0.00 C ATOM 1060 OE1 GLU A 67 12.554 -7.113 -22.762 1.00 0.00 O ATOM 1061 OE2 GLU A 67 10.958 -7.220 -24.288 1.00 0.00 O ATOM 0 H GLU A 67 13.503 -5.792 -21.855 1.00 0.00 H new ATOM 0 HA GLU A 67 15.196 -3.886 -23.301 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.856 -5.117 -25.221 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.878 -6.354 -23.980 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.373 -5.269 -25.323 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.190 -6.757 -25.757 1.00 0.00 H new ATOM 1068 N GLU A 68 13.305 -2.416 -24.453 1.00 0.00 N ATOM 1069 CA GLU A 68 12.302 -1.383 -24.916 1.00 0.00 C ATOM 1070 C GLU A 68 11.866 -0.343 -23.817 1.00 0.00 C ATOM 1071 O GLU A 68 11.669 0.842 -24.109 1.00 0.00 O ATOM 1072 CB GLU A 68 11.088 -1.855 -25.771 1.00 0.00 C ATOM 1073 CG GLU A 68 9.970 -2.622 -25.040 1.00 0.00 C ATOM 1074 CD GLU A 68 8.738 -2.726 -25.925 1.00 0.00 C ATOM 1075 OE1 GLU A 68 8.862 -3.276 -27.054 1.00 0.00 O ATOM 1076 OE2 GLU A 68 7.660 -2.241 -25.497 1.00 0.00 O ATOM 0 H GLU A 68 14.223 -2.277 -24.876 1.00 0.00 H new ATOM 0 HA GLU A 68 12.928 -0.864 -25.642 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.644 -0.978 -26.242 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.465 -2.490 -26.573 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.319 -3.619 -24.772 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.717 -2.112 -24.111 1.00 0.00 H new ATOM 1083 N ILE A 69 11.758 -0.790 -22.562 1.00 0.00 N ATOM 1084 CA ILE A 69 11.339 0.025 -21.380 1.00 0.00 C ATOM 1085 C ILE A 69 12.277 1.230 -21.034 1.00 0.00 C ATOM 1086 O ILE A 69 11.775 2.243 -20.537 1.00 0.00 O ATOM 1087 CB ILE A 69 11.021 -0.755 -20.097 1.00 0.00 C ATOM 1088 CG1 ILE A 69 10.772 -2.274 -20.293 1.00 0.00 C ATOM 1089 CG2 ILE A 69 9.798 -0.082 -19.430 1.00 0.00 C ATOM 1090 CD1 ILE A 69 9.475 -2.644 -21.024 1.00 0.00 C ATOM 0 H ILE A 69 11.963 -1.758 -22.316 1.00 0.00 H new ATOM 0 HA ILE A 69 10.396 0.423 -21.754 1.00 0.00 H new ATOM 0 HB ILE A 69 11.907 -0.712 -19.464 1.00 0.00 H new ATOM 0 HG12 ILE A 69 11.612 -2.693 -20.846 1.00 0.00 H new ATOM 0 HG13 ILE A 69 10.765 -2.752 -19.314 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.545 -0.614 -18.513 1.00 0.00 H new ATOM 0 HG22 ILE A 69 10.037 0.955 -19.194 1.00 0.00 H new ATOM 0 HG23 ILE A 69 8.949 -0.112 -20.113 1.00 0.00 H new ATOM 0 HD11 ILE A 69 9.401 -3.728 -21.107 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.621 -2.263 -20.464 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.481 -2.204 -22.021 1.00 0.00 H new ATOM 1102 N LYS A 70 13.592 1.155 -21.316 1.00 0.00 N ATOM 1103 CA LYS A 70 14.504 2.336 -21.223 1.00 0.00 C ATOM 1104 C LYS A 70 14.133 3.516 -22.206 1.00 0.00 C ATOM 1105 O LYS A 70 14.123 4.685 -21.807 1.00 0.00 O ATOM 1106 CB LYS A 70 15.962 1.901 -21.512 1.00 0.00 C ATOM 1107 CG LYS A 70 17.028 2.980 -21.251 1.00 0.00 C ATOM 1108 CD LYS A 70 18.457 2.467 -21.500 1.00 0.00 C ATOM 1109 CE LYS A 70 19.531 3.538 -21.255 1.00 0.00 C ATOM 1110 NZ LYS A 70 20.893 3.006 -21.511 1.00 0.00 N ATOM 0 H LYS A 70 14.056 0.296 -21.610 1.00 0.00 H new ATOM 0 HA LYS A 70 14.391 2.714 -20.207 1.00 0.00 H new ATOM 0 HB2 LYS A 70 16.193 1.029 -20.900 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.032 1.588 -22.554 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.836 3.839 -21.894 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.944 3.328 -20.221 1.00 0.00 H new ATOM 0 HD2 LYS A 70 18.649 1.613 -20.850 1.00 0.00 H new ATOM 0 HD3 LYS A 70 18.535 2.110 -22.527 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.346 4.396 -21.902 1.00 0.00 H new ATOM 0 HE3 LYS A 70 19.465 3.894 -20.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 21.596 3.753 -21.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 21.077 2.203 -20.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 20.962 2.689 -22.499 1.00 0.00 H new ATOM 1124 N LYS A 71 13.797 3.195 -23.472 1.00 0.00 N ATOM 1125 CA LYS A 71 13.221 4.169 -24.437 1.00 0.00 C ATOM 1126 C LYS A 71 11.774 4.648 -24.066 1.00 0.00 C ATOM 1127 O LYS A 71 11.545 5.851 -24.155 1.00 0.00 O ATOM 1128 CB LYS A 71 13.194 3.558 -25.865 1.00 0.00 C ATOM 1129 CG LYS A 71 13.532 4.525 -27.019 1.00 0.00 C ATOM 1130 CD LYS A 71 12.552 5.691 -27.221 1.00 0.00 C ATOM 1131 CE LYS A 71 12.823 6.484 -28.510 1.00 0.00 C ATOM 1132 NZ LYS A 71 11.896 7.631 -28.637 1.00 0.00 N ATOM 0 H LYS A 71 13.915 2.258 -23.858 1.00 0.00 H new ATOM 0 HA LYS A 71 13.871 5.043 -24.397 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.897 2.726 -25.896 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.202 3.144 -26.043 1.00 0.00 H new ATOM 0 HG2 LYS A 71 14.526 4.936 -26.844 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.582 3.952 -27.945 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.534 5.303 -27.247 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.615 6.364 -26.366 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.852 6.843 -28.510 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.714 5.828 -29.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.700 7.809 -29.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.006 7.414 -28.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.330 8.476 -28.214 1.00 0.00 H new ATOM 1146 N MET A 72 10.819 3.796 -23.614 1.00 0.00 N ATOM 1147 CA MET A 72 9.480 4.276 -23.127 1.00 0.00 C ATOM 1148 C MET A 72 9.594 5.321 -21.943 1.00 0.00 C ATOM 1149 O MET A 72 9.006 6.401 -22.075 1.00 0.00 O ATOM 1150 CB MET A 72 8.594 3.111 -22.624 1.00 0.00 C ATOM 1151 CG MET A 72 8.288 2.020 -23.673 1.00 0.00 C ATOM 1152 SD MET A 72 7.263 2.562 -25.083 1.00 0.00 S ATOM 1153 CE MET A 72 8.584 2.842 -26.301 1.00 0.00 C ATOM 0 H MET A 72 10.939 2.784 -23.573 1.00 0.00 H new ATOM 0 HA MET A 72 9.027 4.754 -23.996 1.00 0.00 H new ATOM 0 HB2 MET A 72 9.085 2.644 -21.770 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.651 3.522 -22.264 1.00 0.00 H new ATOM 0 HG2 MET A 72 9.232 1.634 -24.058 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.784 1.191 -23.175 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.165 3.315 -27.189 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.346 3.491 -25.869 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.034 1.888 -26.576 1.00 0.00 H new ATOM 1163 N ILE A 73 10.390 5.101 -20.856 1.00 0.00 N ATOM 1164 CA ILE A 73 10.653 6.165 -19.814 1.00 0.00 C ATOM 1165 C ILE A 73 11.340 7.457 -20.387 1.00 0.00 C ATOM 1166 O ILE A 73 10.906 8.560 -20.042 1.00 0.00 O ATOM 1167 CB ILE A 73 11.464 5.614 -18.638 1.00 0.00 C ATOM 1168 CG1 ILE A 73 10.773 4.381 -17.991 1.00 0.00 C ATOM 1169 CG2 ILE A 73 11.733 6.708 -17.575 1.00 0.00 C ATOM 1170 CD1 ILE A 73 9.426 4.669 -17.314 1.00 0.00 C ATOM 0 H ILE A 73 10.859 4.214 -20.671 1.00 0.00 H new ATOM 0 HA ILE A 73 9.667 6.465 -19.459 1.00 0.00 H new ATOM 0 HB ILE A 73 12.423 5.287 -19.039 1.00 0.00 H new ATOM 0 HG12 ILE A 73 10.621 3.624 -18.761 1.00 0.00 H new ATOM 0 HG13 ILE A 73 11.449 3.952 -17.252 1.00 0.00 H new ATOM 0 HG21 ILE A 73 12.311 6.283 -16.754 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.293 7.526 -18.028 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.784 7.086 -17.194 1.00 0.00 H new ATOM 0 HD11 ILE A 73 9.025 3.746 -16.894 1.00 0.00 H new ATOM 0 HD12 ILE A 73 9.568 5.399 -16.517 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.727 5.066 -18.050 1.00 0.00 H new ATOM 1182 N SER A 74 12.364 7.352 -21.259 1.00 0.00 N ATOM 1183 CA SER A 74 12.995 8.538 -21.914 1.00 0.00 C ATOM 1184 C SER A 74 12.139 9.320 -22.989 1.00 0.00 C ATOM 1185 O SER A 74 12.437 10.474 -23.301 1.00 0.00 O ATOM 1186 CB SER A 74 14.320 8.082 -22.586 1.00 0.00 C ATOM 1187 OG SER A 74 15.219 9.161 -22.820 1.00 0.00 O ATOM 0 H SER A 74 12.779 6.461 -21.532 1.00 0.00 H new ATOM 0 HA SER A 74 13.129 9.252 -21.101 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.807 7.340 -21.953 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.092 7.593 -23.533 1.00 0.00 H new ATOM 0 HG SER A 74 14.714 9.952 -23.102 1.00 0.00 H new ATOM 1193 N GLU A 75 11.184 8.651 -23.654 1.00 0.00 N ATOM 1194 CA GLU A 75 10.205 9.247 -24.602 1.00 0.00 C ATOM 1195 C GLU A 75 8.981 9.937 -23.921 1.00 0.00 C ATOM 1196 O GLU A 75 8.405 10.874 -24.474 1.00 0.00 O ATOM 1197 CB GLU A 75 9.658 8.124 -25.525 1.00 0.00 C ATOM 1198 CG GLU A 75 8.766 8.585 -26.692 1.00 0.00 C ATOM 1199 CD GLU A 75 8.435 7.378 -27.567 1.00 0.00 C ATOM 1200 OE1 GLU A 75 9.388 6.828 -28.186 1.00 0.00 O ATOM 1201 OE2 GLU A 75 7.242 6.990 -27.634 1.00 0.00 O ATOM 0 H GLU A 75 11.060 7.644 -23.549 1.00 0.00 H new ATOM 0 HA GLU A 75 10.747 10.021 -25.146 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.505 7.574 -25.936 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.089 7.423 -24.914 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.850 9.037 -26.311 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.278 9.348 -27.279 1.00 0.00 H new ATOM 1208 N ILE A 76 8.562 9.422 -22.750 1.00 0.00 N ATOM 1209 CA ILE A 76 7.301 9.804 -22.074 1.00 0.00 C ATOM 1210 C ILE A 76 7.333 11.181 -21.291 1.00 0.00 C ATOM 1211 O ILE A 76 6.268 11.746 -21.024 1.00 0.00 O ATOM 1212 CB ILE A 76 6.587 8.753 -21.220 1.00 0.00 C ATOM 1213 CG1 ILE A 76 7.419 8.191 -20.040 1.00 0.00 C ATOM 1214 CG2 ILE A 76 6.064 7.654 -22.175 1.00 0.00 C ATOM 1215 CD1 ILE A 76 7.371 9.014 -18.747 1.00 0.00 C ATOM 0 H ILE A 76 9.095 8.719 -22.237 1.00 0.00 H new ATOM 0 HA ILE A 76 6.691 9.917 -22.970 1.00 0.00 H new ATOM 0 HB ILE A 76 5.757 9.235 -20.704 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.070 7.182 -19.821 1.00 0.00 H new ATOM 0 HG13 ILE A 76 8.458 8.107 -20.358 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.548 6.886 -21.598 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.372 8.095 -22.893 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.903 7.206 -22.708 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.986 8.533 -17.987 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.751 10.017 -18.940 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.342 9.077 -18.394 1.00 0.00 H new ATOM 1227 N ASP A 77 8.510 11.717 -20.934 1.00 0.00 N ATOM 1228 CA ASP A 77 8.661 13.111 -20.391 1.00 0.00 C ATOM 1229 C ASP A 77 8.534 14.133 -21.582 1.00 0.00 C ATOM 1230 O ASP A 77 9.461 14.278 -22.383 1.00 0.00 O ATOM 1231 CB ASP A 77 10.030 13.254 -19.677 1.00 0.00 C ATOM 1232 CG ASP A 77 10.003 14.391 -18.666 1.00 0.00 C ATOM 1233 OD1 ASP A 77 10.184 15.567 -19.073 1.00 0.00 O ATOM 1234 OD2 ASP A 77 9.771 14.091 -17.462 1.00 0.00 O ATOM 0 H ASP A 77 9.393 11.212 -21.006 1.00 0.00 H new ATOM 0 HA ASP A 77 7.880 13.318 -19.660 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.280 12.321 -19.173 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.811 13.437 -20.415 1.00 0.00 H new ATOM 1239 N LYS A 78 7.358 14.794 -21.720 1.00 0.00 N ATOM 1240 CA LYS A 78 7.036 15.606 -22.936 1.00 0.00 C ATOM 1241 C LYS A 78 6.574 17.089 -22.745 1.00 0.00 C ATOM 1242 O LYS A 78 7.286 18.002 -23.172 1.00 0.00 O ATOM 1243 CB LYS A 78 5.844 14.942 -23.678 1.00 0.00 C ATOM 1244 CG LYS A 78 6.074 13.497 -24.161 1.00 0.00 C ATOM 1245 CD LYS A 78 4.784 12.657 -24.088 1.00 0.00 C ATOM 1246 CE LYS A 78 3.676 13.111 -25.054 1.00 0.00 C ATOM 1247 NZ LYS A 78 2.330 12.930 -24.458 1.00 0.00 N ATOM 0 H LYS A 78 6.619 14.786 -21.017 1.00 0.00 H new ATOM 0 HA LYS A 78 7.995 15.631 -23.453 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.979 14.950 -23.015 1.00 0.00 H new ATOM 0 HB3 LYS A 78 5.590 15.557 -24.541 1.00 0.00 H new ATOM 0 HG2 LYS A 78 6.441 13.511 -25.187 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.847 13.029 -23.552 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.030 11.616 -24.299 1.00 0.00 H new ATOM 0 HD3 LYS A 78 4.398 12.693 -23.069 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.823 14.160 -25.312 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.744 12.542 -25.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.604 13.213 -25.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.194 11.931 -24.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.246 13.519 -23.605 1.00 0.00 H new ATOM 1261 N GLU A 79 5.377 17.333 -22.192 1.00 0.00 N ATOM 1262 CA GLU A 79 4.736 18.689 -22.168 1.00 0.00 C ATOM 1263 C GLU A 79 4.944 19.427 -20.814 1.00 0.00 C ATOM 1264 O GLU A 79 5.448 20.550 -20.773 1.00 0.00 O ATOM 1265 CB GLU A 79 3.201 18.638 -22.444 1.00 0.00 C ATOM 1266 CG GLU A 79 2.699 17.405 -23.234 1.00 0.00 C ATOM 1267 CD GLU A 79 2.525 16.173 -22.338 1.00 0.00 C ATOM 1268 OE1 GLU A 79 2.836 16.263 -21.118 1.00 0.00 O ATOM 1269 OE2 GLU A 79 2.079 15.118 -22.861 1.00 0.00 O ATOM 0 H GLU A 79 4.814 16.609 -21.746 1.00 0.00 H new ATOM 0 HA GLU A 79 5.235 19.235 -22.968 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.678 18.671 -21.488 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.920 19.537 -22.993 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.748 17.643 -23.709 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.405 17.175 -24.032 1.00 0.00 H new ATOM 1276 N GLY A 80 4.497 18.794 -19.721 1.00 0.00 N ATOM 1277 CA GLY A 80 4.805 19.245 -18.343 1.00 0.00 C ATOM 1278 C GLY A 80 5.457 18.139 -17.489 1.00 0.00 C ATOM 1279 O GLY A 80 4.983 17.847 -16.391 1.00 0.00 O ATOM 0 H GLY A 80 3.914 17.958 -19.759 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.472 20.106 -18.387 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.886 19.578 -17.860 1.00 0.00 H new ATOM 1283 N THR A 81 6.518 17.518 -18.036 1.00 0.00 N ATOM 1284 CA THR A 81 7.191 16.303 -17.490 1.00 0.00 C ATOM 1285 C THR A 81 6.271 15.029 -17.585 1.00 0.00 C ATOM 1286 O THR A 81 5.105 15.068 -18.005 1.00 0.00 O ATOM 1287 CB THR A 81 7.887 16.461 -16.135 1.00 0.00 C ATOM 1288 OG1 THR A 81 6.975 16.634 -15.055 1.00 0.00 O ATOM 1289 CG2 THR A 81 8.863 17.655 -16.196 1.00 0.00 C ATOM 0 H THR A 81 6.952 17.851 -18.897 1.00 0.00 H new ATOM 0 HA THR A 81 8.038 16.146 -18.158 1.00 0.00 H new ATOM 0 HB THR A 81 8.428 15.535 -15.941 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.274 17.266 -15.317 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.359 17.769 -15.232 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.610 17.476 -16.970 1.00 0.00 H new ATOM 0 HG23 THR A 81 8.310 18.565 -16.429 1.00 0.00 H new ATOM 1297 N GLY A 82 6.855 13.860 -17.279 1.00 0.00 N ATOM 1298 CA GLY A 82 6.218 12.542 -17.522 1.00 0.00 C ATOM 1299 C GLY A 82 5.027 12.198 -16.616 1.00 0.00 C ATOM 1300 O GLY A 82 5.112 12.051 -15.397 1.00 0.00 O ATOM 0 H GLY A 82 7.781 13.794 -16.856 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.884 12.507 -18.559 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.975 11.767 -17.405 1.00 0.00 H new ATOM 1304 N LYS A 83 3.913 12.023 -17.303 1.00 0.00 N ATOM 1305 CA LYS A 83 2.608 11.668 -16.689 1.00 0.00 C ATOM 1306 C LYS A 83 1.781 10.798 -17.673 1.00 0.00 C ATOM 1307 O LYS A 83 1.571 11.172 -18.834 1.00 0.00 O ATOM 1308 CB LYS A 83 1.784 12.920 -16.290 1.00 0.00 C ATOM 1309 CG LYS A 83 1.743 14.004 -17.382 1.00 0.00 C ATOM 1310 CD LYS A 83 0.995 15.281 -16.983 1.00 0.00 C ATOM 1311 CE LYS A 83 1.206 16.422 -17.990 1.00 0.00 C ATOM 1312 NZ LYS A 83 0.802 16.012 -19.355 1.00 0.00 N ATOM 0 H LYS A 83 3.869 12.120 -18.317 1.00 0.00 H new ATOM 0 HA LYS A 83 2.822 11.108 -15.778 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.765 12.614 -16.055 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.206 13.348 -15.381 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.765 14.267 -17.654 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.274 13.587 -18.273 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.070 15.064 -16.901 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.331 15.603 -15.997 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.628 17.293 -17.683 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.255 16.720 -17.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.650 15.802 -19.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.204 15.163 -19.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.268 16.783 -19.805 1.00 0.00 H new ATOM 1326 N MET A 84 1.350 9.621 -17.202 1.00 0.00 N ATOM 1327 CA MET A 84 0.632 8.623 -18.035 1.00 0.00 C ATOM 1328 C MET A 84 -0.772 8.338 -17.444 1.00 0.00 C ATOM 1329 O MET A 84 -0.874 8.039 -16.252 1.00 0.00 O ATOM 1330 CB MET A 84 1.460 7.326 -18.179 1.00 0.00 C ATOM 1331 CG MET A 84 1.256 6.592 -19.516 1.00 0.00 C ATOM 1332 SD MET A 84 2.646 5.499 -19.957 1.00 0.00 S ATOM 1333 CE MET A 84 2.254 5.310 -21.720 1.00 0.00 C ATOM 0 H MET A 84 1.484 9.325 -16.235 1.00 0.00 H new ATOM 0 HA MET A 84 0.499 9.036 -19.035 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.517 7.569 -18.068 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.201 6.651 -17.364 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.341 6.002 -19.463 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.115 7.327 -20.308 1.00 0.00 H new ATOM 0 HE1 MET A 84 2.597 4.335 -22.067 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.176 5.387 -21.863 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.753 6.094 -22.290 1.00 0.00 H new ATOM 1343 N ASN A 85 -1.824 8.337 -18.278 1.00 0.00 N ATOM 1344 CA ASN A 85 -3.177 7.858 -17.850 1.00 0.00 C ATOM 1345 C ASN A 85 -3.374 6.385 -18.361 1.00 0.00 C ATOM 1346 O ASN A 85 -2.547 5.813 -19.084 1.00 0.00 O ATOM 1347 CB ASN A 85 -4.263 8.783 -18.500 1.00 0.00 C ATOM 1348 CG ASN A 85 -5.733 8.371 -18.293 1.00 0.00 C ATOM 1349 OD1 ASN A 85 -6.399 7.956 -19.249 1.00 0.00 O ATOM 1350 ND2 ASN A 85 -6.226 8.455 -17.026 1.00 0.00 N ATOM 0 H ASN A 85 -1.780 8.656 -19.246 1.00 0.00 H new ATOM 0 HA ASN A 85 -3.267 7.887 -16.764 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.133 9.791 -18.105 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -4.071 8.833 -19.572 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -7.185 8.168 -16.832 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -5.636 8.804 -16.271 1.00 0.00 H new ATOM 1357 N PHE A 86 -4.446 5.717 -17.911 1.00 0.00 N ATOM 1358 CA PHE A 86 -4.659 4.264 -18.214 1.00 0.00 C ATOM 1359 C PHE A 86 -5.002 3.966 -19.714 1.00 0.00 C ATOM 1360 O PHE A 86 -4.589 2.921 -20.229 1.00 0.00 O ATOM 1361 CB PHE A 86 -5.828 3.749 -17.324 1.00 0.00 C ATOM 1362 CG PHE A 86 -5.894 2.248 -17.178 1.00 0.00 C ATOM 1363 CD1 PHE A 86 -4.787 1.524 -16.707 1.00 0.00 C ATOM 1364 CD2 PHE A 86 -7.099 1.561 -17.415 1.00 0.00 C ATOM 1365 CE1 PHE A 86 -4.881 0.150 -16.455 1.00 0.00 C ATOM 1366 CE2 PHE A 86 -7.194 0.184 -17.178 1.00 0.00 C ATOM 1367 CZ PHE A 86 -6.088 -0.521 -16.690 1.00 0.00 C ATOM 0 H PHE A 86 -5.180 6.139 -17.342 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.718 3.755 -18.006 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.735 4.193 -16.333 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.770 4.102 -17.745 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.850 2.034 -16.537 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.959 2.101 -17.783 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.025 -0.391 -16.080 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.121 -0.334 -17.372 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.165 -1.580 -16.495 1.00 0.00 H new ATOM 1377 N GLY A 87 -5.719 4.873 -20.413 1.00 0.00 N ATOM 1378 CA GLY A 87 -5.893 4.789 -21.890 1.00 0.00 C ATOM 1379 C GLY A 87 -4.539 4.869 -22.664 1.00 0.00 C ATOM 1380 O GLY A 87 -4.313 4.052 -23.559 1.00 0.00 O ATOM 0 H GLY A 87 -6.187 5.671 -19.985 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.394 3.854 -22.140 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.544 5.598 -22.221 1.00 0.00 H new ATOM 1384 N ASP A 88 -3.621 5.787 -22.277 1.00 0.00 N ATOM 1385 CA ASP A 88 -2.218 5.813 -22.779 1.00 0.00 C ATOM 1386 C ASP A 88 -1.449 4.484 -22.436 1.00 0.00 C ATOM 1387 O ASP A 88 -0.891 3.854 -23.334 1.00 0.00 O ATOM 1388 CB ASP A 88 -1.343 6.929 -22.146 1.00 0.00 C ATOM 1389 CG ASP A 88 -1.977 8.310 -22.277 1.00 0.00 C ATOM 1390 OD1 ASP A 88 -2.238 8.746 -23.427 1.00 0.00 O ATOM 1391 OD2 ASP A 88 -2.193 8.947 -21.208 1.00 0.00 O ATOM 0 H ASP A 88 -3.827 6.530 -21.610 1.00 0.00 H new ATOM 0 HA ASP A 88 -2.341 5.973 -23.850 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.181 6.705 -21.092 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.364 6.935 -22.625 1.00 0.00 H new ATOM 1396 N PHE A 89 -1.468 4.040 -21.158 1.00 0.00 N ATOM 1397 CA PHE A 89 -0.806 2.793 -20.679 1.00 0.00 C ATOM 1398 C PHE A 89 -1.146 1.497 -21.478 1.00 0.00 C ATOM 1399 O PHE A 89 -0.232 0.753 -21.843 1.00 0.00 O ATOM 1400 CB PHE A 89 -1.125 2.587 -19.172 1.00 0.00 C ATOM 1401 CG PHE A 89 -0.067 1.819 -18.418 1.00 0.00 C ATOM 1402 CD1 PHE A 89 1.277 2.232 -18.424 1.00 0.00 C ATOM 1403 CD2 PHE A 89 -0.432 0.743 -17.595 1.00 0.00 C ATOM 1404 CE1 PHE A 89 2.233 1.580 -17.636 1.00 0.00 C ATOM 1405 CE2 PHE A 89 0.522 0.079 -16.813 1.00 0.00 C ATOM 1406 CZ PHE A 89 1.858 0.496 -16.836 1.00 0.00 C ATOM 0 H PHE A 89 -1.951 4.543 -20.414 1.00 0.00 H new ATOM 0 HA PHE A 89 0.260 2.949 -20.846 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.255 3.562 -18.702 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.075 2.060 -19.081 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.576 3.064 -19.045 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.463 0.422 -17.564 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.260 1.914 -17.646 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.227 -0.754 -16.193 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.596 -0.017 -16.238 1.00 0.00 H new ATOM 1416 N LEU A 90 -2.432 1.231 -21.752 1.00 0.00 N ATOM 1417 CA LEU A 90 -2.854 0.042 -22.545 1.00 0.00 C ATOM 1418 C LEU A 90 -2.713 0.222 -24.086 1.00 0.00 C ATOM 1419 O LEU A 90 -2.199 -0.696 -24.723 1.00 0.00 O ATOM 1420 CB LEU A 90 -4.332 -0.368 -22.300 1.00 0.00 C ATOM 1421 CG LEU A 90 -4.568 -1.212 -21.024 1.00 0.00 C ATOM 1422 CD1 LEU A 90 -4.296 -0.454 -19.717 1.00 0.00 C ATOM 1423 CD2 LEU A 90 -5.991 -1.807 -21.013 1.00 0.00 C ATOM 0 H LEU A 90 -3.206 1.817 -21.441 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.169 -0.728 -22.190 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.940 0.535 -22.239 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.686 -0.933 -23.163 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.836 -2.018 -21.066 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.484 -1.112 -18.869 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.257 -0.124 -19.697 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.954 0.413 -19.656 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.132 -2.396 -20.107 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.723 -1.000 -21.039 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.125 -2.447 -21.885 1.00 0.00 H new ATOM 1435 N THR A 91 -3.095 1.364 -24.695 1.00 0.00 N ATOM 1436 CA THR A 91 -2.805 1.635 -26.143 1.00 0.00 C ATOM 1437 C THR A 91 -1.274 1.614 -26.483 1.00 0.00 C ATOM 1438 O THR A 91 -0.882 0.884 -27.394 1.00 0.00 O ATOM 1439 CB THR A 91 -3.442 2.896 -26.716 1.00 0.00 C ATOM 1440 OG1 THR A 91 -2.983 4.077 -26.066 1.00 0.00 O ATOM 1441 CG2 THR A 91 -4.975 2.781 -26.581 1.00 0.00 C ATOM 0 H THR A 91 -3.600 2.114 -24.224 1.00 0.00 H new ATOM 0 HA THR A 91 -3.290 0.793 -26.637 1.00 0.00 H new ATOM 0 HB THR A 91 -3.154 2.978 -27.764 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.400 4.147 -25.182 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.444 3.677 -26.987 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.324 1.907 -27.131 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.241 2.677 -25.529 1.00 0.00 H new ATOM 1449 N VAL A 92 -0.422 2.355 -25.747 1.00 0.00 N ATOM 1450 CA VAL A 92 1.067 2.322 -25.916 1.00 0.00 C ATOM 1451 C VAL A 92 1.664 0.898 -25.648 1.00 0.00 C ATOM 1452 O VAL A 92 2.265 0.347 -26.573 1.00 0.00 O ATOM 1453 CB VAL A 92 1.792 3.377 -25.082 1.00 0.00 C ATOM 1454 CG1 VAL A 92 3.325 3.288 -25.264 1.00 0.00 C ATOM 1455 CG2 VAL A 92 1.281 4.771 -25.511 1.00 0.00 C ATOM 0 H VAL A 92 -0.733 2.996 -25.017 1.00 0.00 H new ATOM 0 HA VAL A 92 1.241 2.570 -26.963 1.00 0.00 H new ATOM 0 HB VAL A 92 1.583 3.204 -24.026 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.809 4.053 -24.656 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.672 2.303 -24.951 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.577 3.445 -26.313 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.787 5.540 -24.927 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.489 4.925 -26.570 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.206 4.833 -25.339 1.00 0.00 H new ATOM 1465 N MET A 93 1.519 0.291 -24.448 1.00 0.00 N ATOM 1466 CA MET A 93 2.159 -1.034 -24.150 1.00 0.00 C ATOM 1467 C MET A 93 1.596 -2.243 -24.974 1.00 0.00 C ATOM 1468 O MET A 93 2.407 -3.046 -25.437 1.00 0.00 O ATOM 1469 CB MET A 93 2.146 -1.417 -22.654 1.00 0.00 C ATOM 1470 CG MET A 93 3.004 -0.461 -21.808 1.00 0.00 C ATOM 1471 SD MET A 93 3.236 -1.008 -20.091 1.00 0.00 S ATOM 1472 CE MET A 93 4.608 0.129 -19.739 1.00 0.00 C ATOM 0 H MET A 93 0.977 0.679 -23.676 1.00 0.00 H new ATOM 0 HA MET A 93 3.187 -0.857 -24.467 1.00 0.00 H new ATOM 0 HB2 MET A 93 1.120 -1.406 -22.286 1.00 0.00 H new ATOM 0 HB3 MET A 93 2.516 -2.436 -22.537 1.00 0.00 H new ATOM 0 HG2 MET A 93 3.981 -0.351 -22.279 1.00 0.00 H new ATOM 0 HG3 MET A 93 2.538 0.524 -21.806 1.00 0.00 H new ATOM 0 HE1 MET A 93 4.944 -0.013 -18.712 1.00 0.00 H new ATOM 0 HE2 MET A 93 5.433 -0.074 -20.422 1.00 0.00 H new ATOM 0 HE3 MET A 93 4.272 1.157 -19.872 1.00 0.00 H new ATOM 1482 N THR A 94 0.271 -2.381 -25.212 1.00 0.00 N ATOM 1483 CA THR A 94 -0.276 -3.422 -26.142 1.00 0.00 C ATOM 1484 C THR A 94 0.173 -3.198 -27.630 1.00 0.00 C ATOM 1485 O THR A 94 0.816 -4.101 -28.171 1.00 0.00 O ATOM 1486 CB THR A 94 -1.761 -3.772 -26.051 1.00 0.00 C ATOM 1487 OG1 THR A 94 -2.624 -2.760 -26.560 1.00 0.00 O ATOM 1488 CG2 THR A 94 -2.119 -4.081 -24.582 1.00 0.00 C ATOM 0 H THR A 94 -0.443 -1.794 -24.781 1.00 0.00 H new ATOM 0 HA THR A 94 0.198 -4.320 -25.746 1.00 0.00 H new ATOM 0 HB THR A 94 -1.919 -4.646 -26.683 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.567 -1.965 -25.990 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.177 -4.331 -24.510 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.522 -4.923 -24.231 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.911 -3.207 -23.965 1.00 0.00 H new ATOM 1496 N GLN A 95 -0.095 -2.037 -28.285 1.00 0.00 N ATOM 1497 CA GLN A 95 0.358 -1.786 -29.690 1.00 0.00 C ATOM 1498 C GLN A 95 1.909 -1.799 -29.942 1.00 0.00 C ATOM 1499 O GLN A 95 2.332 -2.238 -31.013 1.00 0.00 O ATOM 1500 CB GLN A 95 -0.202 -0.439 -30.214 1.00 0.00 C ATOM 1501 CG GLN A 95 -0.083 -0.241 -31.736 1.00 0.00 C ATOM 1502 CD GLN A 95 -0.733 1.087 -32.142 1.00 0.00 C ATOM 1503 OE1 GLN A 95 -1.287 1.815 -31.312 1.00 0.00 O ATOM 1504 NE2 GLN A 95 -0.657 1.401 -33.470 1.00 0.00 N ATOM 0 H GLN A 95 -0.617 -1.264 -27.872 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.041 -2.642 -30.233 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.252 -0.364 -29.933 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.321 0.376 -29.713 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.966 -0.248 -32.031 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.566 -1.067 -32.258 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.189 0.767 -34.118 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.068 2.269 -33.813 1.00 0.00 H new ATOM 1513 N LYS A 96 2.754 -1.330 -29.003 1.00 0.00 N ATOM 1514 CA LYS A 96 4.231 -1.514 -29.092 1.00 0.00 C ATOM 1515 C LYS A 96 4.737 -2.990 -28.914 1.00 0.00 C ATOM 1516 O LYS A 96 5.596 -3.409 -29.697 1.00 0.00 O ATOM 1517 CB LYS A 96 4.970 -0.590 -28.085 1.00 0.00 C ATOM 1518 CG LYS A 96 6.509 -0.678 -28.097 1.00 0.00 C ATOM 1519 CD LYS A 96 7.177 -0.368 -29.450 1.00 0.00 C ATOM 1520 CE LYS A 96 8.522 -1.083 -29.655 1.00 0.00 C ATOM 1521 NZ LYS A 96 8.366 -2.557 -29.580 1.00 0.00 N ATOM 0 H LYS A 96 2.448 -0.821 -28.173 1.00 0.00 H new ATOM 0 HA LYS A 96 4.472 -1.237 -30.118 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.682 0.441 -28.289 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.619 -0.826 -27.080 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.901 0.012 -27.350 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.801 -1.682 -27.788 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.498 -0.653 -30.254 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.332 0.708 -29.530 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.938 -0.808 -30.624 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.232 -0.751 -28.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.767 -2.903 -28.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.356 -2.802 -29.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.865 -3.000 -30.378 1.00 0.00 H new ATOM 1535 N MET A 97 4.308 -3.742 -27.882 1.00 0.00 N ATOM 1536 CA MET A 97 4.780 -5.146 -27.660 1.00 0.00 C ATOM 1537 C MET A 97 4.158 -6.200 -28.641 1.00 0.00 C ATOM 1538 O MET A 97 4.922 -6.880 -29.331 1.00 0.00 O ATOM 1539 CB MET A 97 4.518 -5.592 -26.207 1.00 0.00 C ATOM 1540 CG MET A 97 5.255 -4.714 -25.175 1.00 0.00 C ATOM 1541 SD MET A 97 4.848 -5.101 -23.445 1.00 0.00 S ATOM 1542 CE MET A 97 5.749 -3.685 -22.748 1.00 0.00 C ATOM 0 H MET A 97 3.639 -3.414 -27.186 1.00 0.00 H new ATOM 0 HA MET A 97 5.850 -5.117 -27.864 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.447 -5.558 -26.008 1.00 0.00 H new ATOM 0 HB3 MET A 97 4.832 -6.629 -26.087 1.00 0.00 H new ATOM 0 HG2 MET A 97 6.330 -4.828 -25.318 1.00 0.00 H new ATOM 0 HG3 MET A 97 5.017 -3.668 -25.368 1.00 0.00 H new ATOM 0 HE1 MET A 97 5.654 -3.692 -21.662 1.00 0.00 H new ATOM 0 HE2 MET A 97 6.802 -3.754 -23.020 1.00 0.00 H new ATOM 0 HE3 MET A 97 5.332 -2.758 -23.143 1.00 0.00 H new ATOM 1552 N SER A 98 2.824 -6.380 -28.671 1.00 0.00 N ATOM 1553 CA SER A 98 2.142 -7.197 -29.711 1.00 0.00 C ATOM 1554 C SER A 98 1.938 -6.427 -31.050 1.00 0.00 C ATOM 1555 O SER A 98 1.102 -5.483 -31.047 1.00 0.00 O ATOM 1556 CB SER A 98 0.794 -7.768 -29.222 1.00 0.00 C ATOM 1557 OG SER A 98 -0.100 -6.721 -28.864 1.00 0.00 O ATOM 1558 OXT SER A 98 2.579 -6.805 -32.064 1.00 0.00 O ATOM 0 H SER A 98 2.188 -5.971 -27.986 1.00 0.00 H new ATOM 0 HA SER A 98 2.818 -8.030 -29.904 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.348 -8.381 -30.006 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.960 -8.419 -28.364 1.00 0.00 H new ATOM 0 HG SER A 98 0.401 -5.886 -28.756 1.00 0.00 H new