USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=18 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 70:sc= 1.34 USER MOD Set 1.2: A 83 LYS NZ :NH3+ 180:sc= 2.28 (180deg=2.12) USER MOD Set 2.1: A 72 MET CE :methyl 175:sc= -0.649 (180deg=-0.687) USER MOD Set 2.2: A 96 LYS NZ :NH3+ -158:sc= 1.16 (180deg=0.766) USER MOD Set 3.1: A 26 THR OG1 : rot -60:sc= 0.392 USER MOD Set 3.2: A 29 GLN : amide:sc= 1.35 K(o=1.7,f=-2.7!) USER MOD Single : A 30 LYS NZ :NH3+ -165:sc= 1.16 (180deg=0.374) 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 112:sc= 0.219 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 -166:sc= 0 (180deg=-0.433) USER MOD Single : A 65 LYS NZ :NH3+ -170:sc= 0.974 (180deg=0.783) USER MOD Single : A 66 LYS NZ :NH3+ 174:sc= 0.83 (180deg=0.708) USER MOD Single : A 70 LYS NZ :NH3+ 158:sc= 1.31 (180deg=1.09) USER MOD Single : A 71 LYS NZ :NH3+ -141:sc= 1.33 (180deg=-0.191) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 154:sc= 0.662 (180deg=0.304) USER MOD Single : A 84 MET CE :methyl -155:sc= 0 (180deg=-1.12) USER MOD Single : A 85 ASN : amide:sc= 0.46 K(o=0.46,f=-6.7!) USER MOD Single : A 91 THR OG1 : rot -72:sc= 1 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 87:sc= 1.17 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot -156:sc= 0.218 USER MOD ----------------------------------------------------------------- ATOM 383 N LEU A 25 -2.727 -8.295 -27.215 1.00 0.00 N ATOM 384 CA LEU A 25 -2.847 -8.539 -25.705 1.00 0.00 C ATOM 385 C LEU A 25 -3.927 -9.623 -25.373 1.00 0.00 C ATOM 386 O LEU A 25 -5.135 -9.365 -25.384 1.00 0.00 O ATOM 387 CB LEU A 25 -3.077 -7.302 -24.802 1.00 0.00 C ATOM 388 CG LEU A 25 -2.057 -6.148 -24.965 1.00 0.00 C ATOM 389 CD1 LEU A 25 -2.327 -5.053 -23.915 1.00 0.00 C ATOM 390 CD2 LEU A 25 -0.579 -6.587 -24.905 1.00 0.00 C ATOM 0 HA LEU A 25 -1.845 -8.889 -25.456 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.074 -6.911 -25.002 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.065 -7.628 -23.762 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.208 -5.759 -25.972 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.605 -4.246 -24.037 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.335 -4.661 -24.049 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.232 -5.476 -22.915 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.065 -5.716 -25.028 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.377 -7.054 -23.941 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.379 -7.301 -25.704 1.00 0.00 H new ATOM 402 N THR A 26 -3.474 -10.835 -25.020 1.00 0.00 N ATOM 403 CA THR A 26 -4.400 -11.952 -24.642 1.00 0.00 C ATOM 404 C THR A 26 -4.826 -11.833 -23.138 1.00 0.00 C ATOM 405 O THR A 26 -4.697 -10.785 -22.499 1.00 0.00 O ATOM 406 CB THR A 26 -3.744 -13.300 -24.935 1.00 0.00 C ATOM 407 OG1 THR A 26 -2.519 -13.468 -24.223 1.00 0.00 O ATOM 408 CG2 THR A 26 -3.477 -13.419 -26.452 1.00 0.00 C ATOM 0 H THR A 26 -2.485 -11.081 -24.983 1.00 0.00 H new ATOM 0 HA THR A 26 -5.306 -11.880 -25.244 1.00 0.00 H new ATOM 0 HB THR A 26 -4.428 -14.082 -24.604 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.890 -12.763 -24.483 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.009 -14.380 -26.665 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.420 -13.347 -26.994 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.814 -12.614 -26.769 1.00 0.00 H new ATOM 416 N GLU A 27 -5.390 -12.909 -22.576 1.00 0.00 N ATOM 417 CA GLU A 27 -6.045 -12.888 -21.249 1.00 0.00 C ATOM 418 C GLU A 27 -5.079 -12.627 -20.038 1.00 0.00 C ATOM 419 O GLU A 27 -5.347 -11.736 -19.224 1.00 0.00 O ATOM 420 CB GLU A 27 -6.838 -14.195 -20.995 1.00 0.00 C ATOM 421 CG GLU A 27 -7.788 -14.183 -19.775 1.00 0.00 C ATOM 422 CD GLU A 27 -8.860 -13.104 -19.911 1.00 0.00 C ATOM 423 OE1 GLU A 27 -9.487 -12.997 -20.999 1.00 0.00 O ATOM 424 OE2 GLU A 27 -9.083 -12.350 -18.925 1.00 0.00 O ATOM 0 H GLU A 27 -5.408 -13.825 -23.025 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.720 -12.033 -21.296 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.425 -14.420 -21.886 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.126 -15.010 -20.868 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.263 -15.159 -19.673 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.212 -14.012 -18.866 1.00 0.00 H new ATOM 431 N GLU A 28 -3.932 -13.336 -19.963 1.00 0.00 N ATOM 432 CA GLU A 28 -2.825 -13.022 -19.012 1.00 0.00 C ATOM 433 C GLU A 28 -2.261 -11.559 -19.151 1.00 0.00 C ATOM 434 O GLU A 28 -2.220 -10.842 -18.149 1.00 0.00 O ATOM 435 CB GLU A 28 -1.666 -14.027 -19.194 1.00 0.00 C ATOM 436 CG GLU A 28 -0.544 -13.914 -18.147 1.00 0.00 C ATOM 437 CD GLU A 28 0.420 -15.081 -18.342 1.00 0.00 C ATOM 438 OE1 GLU A 28 0.977 -15.205 -19.467 1.00 0.00 O ATOM 439 OE2 GLU A 28 0.594 -15.877 -17.382 1.00 0.00 O ATOM 0 H GLU A 28 -3.740 -14.143 -20.556 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.259 -13.103 -18.015 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.072 -15.038 -19.163 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.234 -13.887 -20.185 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.018 -12.966 -18.257 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.962 -13.932 -17.140 1.00 0.00 H new ATOM 446 N GLN A 29 -1.929 -11.084 -20.371 1.00 0.00 N ATOM 447 CA GLN A 29 -1.478 -9.671 -20.607 1.00 0.00 C ATOM 448 C GLN A 29 -2.520 -8.562 -20.208 1.00 0.00 C ATOM 449 O GLN A 29 -2.164 -7.565 -19.575 1.00 0.00 O ATOM 450 CB GLN A 29 -1.109 -9.503 -22.097 1.00 0.00 C ATOM 451 CG GLN A 29 -0.004 -10.485 -22.538 1.00 0.00 C ATOM 452 CD GLN A 29 0.108 -10.500 -24.065 1.00 0.00 C ATOM 453 OE1 GLN A 29 -0.659 -11.209 -24.730 1.00 0.00 O ATOM 454 NE2 GLN A 29 1.065 -9.704 -24.621 1.00 0.00 N ATOM 0 H GLN A 29 -1.961 -11.651 -21.218 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.621 -9.520 -19.951 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.997 -9.659 -22.709 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -0.776 -8.480 -22.274 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.950 -10.193 -22.099 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.230 -11.487 -22.172 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.670 -9.140 -24.024 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.176 -9.672 -25.634 1.00 0.00 H new ATOM 463 N LYS A 30 -3.800 -8.748 -20.578 1.00 0.00 N ATOM 464 CA LYS A 30 -4.970 -7.939 -20.099 1.00 0.00 C ATOM 465 C LYS A 30 -5.047 -7.771 -18.537 1.00 0.00 C ATOM 466 O LYS A 30 -5.069 -6.632 -18.047 1.00 0.00 O ATOM 467 CB LYS A 30 -6.239 -8.659 -20.612 1.00 0.00 C ATOM 468 CG LYS A 30 -7.620 -8.221 -20.103 1.00 0.00 C ATOM 469 CD LYS A 30 -8.663 -9.272 -20.523 1.00 0.00 C ATOM 470 CE LYS A 30 -9.994 -9.196 -19.767 1.00 0.00 C ATOM 471 NZ LYS A 30 -10.758 -10.451 -19.964 1.00 0.00 N ATOM 0 H LYS A 30 -4.072 -9.480 -21.234 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.868 -6.925 -20.486 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.248 -8.568 -21.698 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.128 -9.719 -20.382 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.606 -8.117 -19.018 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.881 -7.246 -20.514 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.860 -9.161 -21.589 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.236 -10.265 -20.379 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.810 -9.035 -18.705 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.576 -8.346 -20.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.746 -10.305 -19.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.729 -10.721 -20.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.336 -11.208 -19.389 1.00 0.00 H new ATOM 485 N GLN A 31 -5.046 -8.879 -17.758 1.00 0.00 N ATOM 486 CA GLN A 31 -4.912 -8.796 -16.276 1.00 0.00 C ATOM 487 C GLN A 31 -3.532 -8.243 -15.780 1.00 0.00 C ATOM 488 O GLN A 31 -3.570 -7.432 -14.861 1.00 0.00 O ATOM 489 CB GLN A 31 -5.258 -10.108 -15.525 1.00 0.00 C ATOM 490 CG GLN A 31 -4.355 -11.310 -15.846 1.00 0.00 C ATOM 491 CD GLN A 31 -4.816 -12.541 -15.060 1.00 0.00 C ATOM 492 OE1 GLN A 31 -5.379 -13.480 -15.633 1.00 0.00 O ATOM 493 NE2 GLN A 31 -4.567 -12.526 -13.716 1.00 0.00 N ATOM 0 H GLN A 31 -5.135 -9.829 -18.120 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.673 -8.060 -16.016 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.211 -9.916 -14.453 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.289 -10.378 -15.756 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.383 -11.520 -16.915 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.321 -11.075 -15.595 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.098 -11.725 -13.293 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.850 -13.316 -13.136 1.00 0.00 H new ATOM 502 N GLU A 32 -2.358 -8.572 -16.365 1.00 0.00 N ATOM 503 CA GLU A 32 -1.053 -7.908 -16.022 1.00 0.00 C ATOM 504 C GLU A 32 -1.055 -6.341 -16.098 1.00 0.00 C ATOM 505 O GLU A 32 -0.640 -5.683 -15.137 1.00 0.00 O ATOM 506 CB GLU A 32 0.106 -8.391 -16.923 1.00 0.00 C ATOM 507 CG GLU A 32 0.579 -9.823 -16.629 1.00 0.00 C ATOM 508 CD GLU A 32 1.748 -10.139 -17.560 1.00 0.00 C ATOM 509 OE1 GLU A 32 1.529 -10.151 -18.801 1.00 0.00 O ATOM 510 OE2 GLU A 32 2.876 -10.349 -17.043 1.00 0.00 O ATOM 0 H GLU A 32 -2.274 -9.294 -17.081 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.909 -8.204 -14.983 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.210 -8.331 -17.965 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.950 -7.711 -16.806 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.887 -9.916 -15.587 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.234 -10.532 -16.785 1.00 0.00 H new ATOM 517 N ILE A 33 -1.533 -5.737 -17.206 1.00 0.00 N ATOM 518 CA ILE A 33 -1.603 -4.252 -17.344 1.00 0.00 C ATOM 519 C ILE A 33 -2.670 -3.601 -16.391 1.00 0.00 C ATOM 520 O ILE A 33 -2.330 -2.592 -15.757 1.00 0.00 O ATOM 521 CB ILE A 33 -1.927 -3.910 -18.809 1.00 0.00 C ATOM 522 CG1 ILE A 33 -0.869 -4.485 -19.793 1.00 0.00 C ATOM 523 CG2 ILE A 33 -2.096 -2.394 -19.041 1.00 0.00 C ATOM 524 CD1 ILE A 33 0.558 -3.969 -19.590 1.00 0.00 C ATOM 0 H ILE A 33 -1.877 -6.246 -18.020 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.636 -3.841 -17.053 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.884 -4.388 -19.016 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.862 -5.571 -19.700 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.180 -4.254 -20.812 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.323 -2.210 -20.091 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.912 -2.020 -18.422 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.173 -1.880 -18.774 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.219 -4.429 -20.324 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.575 -2.886 -19.715 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.898 -4.224 -18.586 1.00 0.00 H new ATOM 536 N ARG A 34 -3.919 -4.134 -16.233 1.00 0.00 N ATOM 537 CA ARG A 34 -4.833 -3.629 -15.169 1.00 0.00 C ATOM 538 C ARG A 34 -4.280 -3.911 -13.737 1.00 0.00 C ATOM 539 O ARG A 34 -4.139 -2.935 -13.014 1.00 0.00 O ATOM 540 CB ARG A 34 -6.279 -4.186 -15.255 1.00 0.00 C ATOM 541 CG ARG A 34 -7.277 -3.636 -14.202 1.00 0.00 C ATOM 542 CD ARG A 34 -8.008 -2.314 -14.530 1.00 0.00 C ATOM 543 NE ARG A 34 -7.050 -1.198 -14.862 1.00 0.00 N ATOM 544 CZ ARG A 34 -7.014 0.014 -14.223 1.00 0.00 C ATOM 545 NH1 ARG A 34 -7.604 0.214 -13.008 1.00 0.00 N ATOM 546 NH2 ARG A 34 -6.373 1.060 -14.824 1.00 0.00 N ATOM 0 H ARG A 34 -4.302 -4.885 -16.807 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.877 -2.555 -15.350 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.673 -3.971 -16.248 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.237 -5.271 -15.157 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.032 -4.402 -14.023 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.735 -3.497 -13.266 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.682 -2.473 -15.371 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.623 -2.021 -13.679 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.381 -1.356 -15.616 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.092 -0.553 -12.546 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.556 1.130 -12.563 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.931 0.932 -15.734 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.337 1.969 -14.363 1.00 0.00 H new ATOM 560 N GLU A 35 -3.935 -5.147 -13.320 1.00 0.00 N ATOM 561 CA GLU A 35 -3.363 -5.431 -11.963 1.00 0.00 C ATOM 562 C GLU A 35 -2.165 -4.508 -11.536 1.00 0.00 C ATOM 563 O GLU A 35 -2.207 -3.970 -10.427 1.00 0.00 O ATOM 564 CB GLU A 35 -2.954 -6.924 -11.847 1.00 0.00 C ATOM 565 CG GLU A 35 -3.053 -7.572 -10.451 1.00 0.00 C ATOM 566 CD GLU A 35 -1.914 -7.163 -9.522 1.00 0.00 C ATOM 567 OE1 GLU A 35 -0.740 -7.164 -9.982 1.00 0.00 O ATOM 568 OE2 GLU A 35 -2.208 -6.876 -8.331 1.00 0.00 O ATOM 0 H GLU A 35 -4.039 -5.979 -13.901 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.168 -5.200 -11.265 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.576 -7.500 -12.532 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.925 -7.021 -12.193 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.004 -7.296 -9.995 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.055 -8.657 -10.559 1.00 0.00 H new ATOM 575 N ALA A 36 -1.184 -4.207 -12.419 1.00 0.00 N ATOM 576 CA ALA A 36 -0.146 -3.178 -12.123 1.00 0.00 C ATOM 577 C ALA A 36 -0.664 -1.700 -11.996 1.00 0.00 C ATOM 578 O ALA A 36 -0.480 -1.056 -10.950 1.00 0.00 O ATOM 579 CB ALA A 36 0.952 -3.172 -13.205 1.00 0.00 C ATOM 0 H ALA A 36 -1.085 -4.652 -13.331 1.00 0.00 H new ATOM 0 HA ALA A 36 0.228 -3.482 -11.145 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.696 -2.412 -12.964 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.431 -4.150 -13.242 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.506 -2.949 -14.174 1.00 0.00 H new ATOM 585 N PHE A 37 -1.335 -1.155 -13.040 1.00 0.00 N ATOM 586 CA PHE A 37 -1.899 0.226 -12.974 1.00 0.00 C ATOM 587 C PHE A 37 -2.987 0.414 -11.862 1.00 0.00 C ATOM 588 O PHE A 37 -2.907 1.396 -11.136 1.00 0.00 O ATOM 589 CB PHE A 37 -2.553 0.610 -14.326 1.00 0.00 C ATOM 590 CG PHE A 37 -2.613 2.104 -14.513 1.00 0.00 C ATOM 591 CD1 PHE A 37 -3.629 2.881 -13.925 1.00 0.00 C ATOM 592 CD2 PHE A 37 -1.643 2.748 -15.300 1.00 0.00 C ATOM 593 CE1 PHE A 37 -3.657 4.268 -14.100 1.00 0.00 C ATOM 594 CE2 PHE A 37 -1.695 4.126 -15.510 1.00 0.00 C ATOM 595 CZ PHE A 37 -2.682 4.889 -14.885 1.00 0.00 C ATOM 0 H PHE A 37 -1.500 -1.636 -13.924 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.050 0.867 -12.736 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.987 0.164 -15.144 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.561 0.197 -14.373 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.394 2.401 -13.333 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.848 2.169 -15.747 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.430 4.858 -13.630 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.972 4.602 -16.156 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.692 5.962 -15.008 1.00 0.00 H new ATOM 605 N ASP A 38 -3.943 -0.514 -11.697 1.00 0.00 N ATOM 606 CA ASP A 38 -4.887 -0.564 -10.541 1.00 0.00 C ATOM 607 C ASP A 38 -4.206 -0.718 -9.123 1.00 0.00 C ATOM 608 O ASP A 38 -4.683 -0.104 -8.167 1.00 0.00 O ATOM 609 CB ASP A 38 -5.850 -1.774 -10.739 1.00 0.00 C ATOM 610 CG ASP A 38 -7.245 -1.578 -10.147 1.00 0.00 C ATOM 611 OD1 ASP A 38 -7.387 -1.572 -8.899 1.00 0.00 O ATOM 612 OD2 ASP A 38 -8.201 -1.466 -10.968 1.00 0.00 O ATOM 0 H ASP A 38 -4.094 -1.268 -12.367 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.398 0.399 -10.536 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.947 -1.974 -11.806 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.399 -2.658 -10.289 1.00 0.00 H new ATOM 617 N LEU A 39 -3.084 -1.471 -8.957 1.00 0.00 N ATOM 618 CA LEU A 39 -2.259 -1.455 -7.708 1.00 0.00 C ATOM 619 C LEU A 39 -1.783 -0.025 -7.292 1.00 0.00 C ATOM 620 O LEU A 39 -1.936 0.345 -6.124 1.00 0.00 O ATOM 621 CB LEU A 39 -0.970 -2.320 -7.764 1.00 0.00 C ATOM 622 CG LEU A 39 -1.155 -3.810 -7.400 1.00 0.00 C ATOM 623 CD1 LEU A 39 0.118 -4.603 -7.761 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.537 -4.027 -5.922 1.00 0.00 C ATOM 0 H LEU A 39 -2.726 -2.101 -9.675 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.958 -1.871 -6.983 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.555 -2.258 -8.770 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.233 -1.887 -7.088 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.994 -4.182 -7.988 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.021 -5.652 -7.501 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.310 -4.516 -8.831 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.966 -4.201 -7.207 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.653 -5.094 -5.729 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.753 -3.625 -5.281 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.476 -3.516 -5.710 1.00 0.00 H new ATOM 636 N PHE A 40 -1.195 0.756 -8.226 1.00 0.00 N ATOM 637 CA PHE A 40 -0.779 2.159 -7.931 1.00 0.00 C ATOM 638 C PHE A 40 -1.969 3.185 -8.003 1.00 0.00 C ATOM 639 O PHE A 40 -2.117 4.002 -7.090 1.00 0.00 O ATOM 640 CB PHE A 40 0.416 2.595 -8.797 1.00 0.00 C ATOM 641 CG PHE A 40 1.556 1.641 -8.503 1.00 0.00 C ATOM 642 CD1 PHE A 40 2.249 1.722 -7.280 1.00 0.00 C ATOM 643 CD2 PHE A 40 1.885 0.604 -9.393 1.00 0.00 C ATOM 644 CE1 PHE A 40 3.259 0.804 -6.967 1.00 0.00 C ATOM 645 CE2 PHE A 40 2.877 -0.329 -9.074 1.00 0.00 C ATOM 646 CZ PHE A 40 3.571 -0.225 -7.863 1.00 0.00 C ATOM 0 H PHE A 40 -0.997 0.451 -9.179 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.446 2.164 -6.893 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.155 2.567 -9.855 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.704 3.621 -8.567 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.999 2.501 -6.575 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.365 0.527 -10.336 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.797 0.890 -6.035 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.107 -1.129 -9.762 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.346 -0.937 -7.620 1.00 0.00 H new ATOM 656 N ASP A 41 -2.844 3.126 -9.025 1.00 0.00 N ATOM 657 CA ASP A 41 -4.121 3.889 -9.081 1.00 0.00 C ATOM 658 C ASP A 41 -5.279 3.083 -8.399 1.00 0.00 C ATOM 659 O ASP A 41 -6.104 2.438 -9.059 1.00 0.00 O ATOM 660 CB ASP A 41 -4.523 4.293 -10.530 1.00 0.00 C ATOM 661 CG ASP A 41 -5.659 5.323 -10.591 1.00 0.00 C ATOM 662 OD1 ASP A 41 -6.352 5.545 -9.563 1.00 0.00 O ATOM 663 OD2 ASP A 41 -5.855 5.922 -11.683 1.00 0.00 O ATOM 0 H ASP A 41 -2.689 2.543 -9.847 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.953 4.814 -8.529 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.649 4.698 -11.040 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.825 3.399 -11.076 1.00 0.00 H new ATOM 668 N ALA A 42 -5.324 3.126 -7.057 1.00 0.00 N ATOM 669 CA ALA A 42 -6.306 2.323 -6.259 1.00 0.00 C ATOM 670 C ALA A 42 -7.795 2.797 -6.319 1.00 0.00 C ATOM 671 O ALA A 42 -8.706 1.972 -6.419 1.00 0.00 O ATOM 672 CB ALA A 42 -5.913 2.290 -4.770 1.00 0.00 C ATOM 0 H ALA A 42 -4.701 3.701 -6.491 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.256 1.343 -6.734 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.642 1.701 -4.214 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.926 1.840 -4.664 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.892 3.306 -4.377 1.00 0.00 H new ATOM 678 N ASP A 43 -8.028 4.112 -6.228 1.00 0.00 N ATOM 679 CA ASP A 43 -9.384 4.722 -6.257 1.00 0.00 C ATOM 680 C ASP A 43 -10.015 4.923 -7.684 1.00 0.00 C ATOM 681 O ASP A 43 -11.241 5.023 -7.793 1.00 0.00 O ATOM 682 CB ASP A 43 -9.390 6.128 -5.605 1.00 0.00 C ATOM 683 CG ASP A 43 -8.986 6.026 -4.135 1.00 0.00 C ATOM 684 OD1 ASP A 43 -9.760 5.416 -3.350 1.00 0.00 O ATOM 685 OD2 ASP A 43 -7.899 6.557 -3.781 1.00 0.00 O ATOM 0 H ASP A 43 -7.280 4.798 -6.131 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.978 3.990 -5.710 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.701 6.786 -6.135 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.382 6.572 -5.688 1.00 0.00 H new ATOM 690 N GLY A 44 -9.208 5.017 -8.757 1.00 0.00 N ATOM 691 CA GLY A 44 -9.678 5.384 -10.118 1.00 0.00 C ATOM 692 C GLY A 44 -9.574 6.898 -10.369 1.00 0.00 C ATOM 693 O GLY A 44 -10.593 7.591 -10.383 1.00 0.00 O ATOM 0 H GLY A 44 -8.204 4.841 -8.710 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.087 4.851 -10.863 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.713 5.065 -10.244 1.00 0.00 H new ATOM 697 N THR A 45 -8.340 7.403 -10.539 1.00 0.00 N ATOM 698 CA THR A 45 -8.057 8.871 -10.562 1.00 0.00 C ATOM 699 C THR A 45 -7.260 9.368 -11.816 1.00 0.00 C ATOM 700 O THR A 45 -7.573 10.491 -12.230 1.00 0.00 O ATOM 701 CB THR A 45 -7.401 9.362 -9.266 1.00 0.00 C ATOM 702 OG1 THR A 45 -7.535 10.772 -9.111 1.00 0.00 O ATOM 703 CG2 THR A 45 -5.917 8.955 -9.133 1.00 0.00 C ATOM 0 H THR A 45 -7.511 6.823 -10.664 1.00 0.00 H new ATOM 0 HA THR A 45 -9.044 9.326 -10.642 1.00 0.00 H new ATOM 0 HB THR A 45 -7.943 8.861 -8.464 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.107 11.051 -8.275 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.518 9.336 -8.193 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.835 7.868 -9.148 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.349 9.373 -9.964 1.00 0.00 H new ATOM 711 N GLY A 46 -6.296 8.658 -12.458 1.00 0.00 N ATOM 712 CA GLY A 46 -5.678 9.177 -13.722 1.00 0.00 C ATOM 713 C GLY A 46 -4.256 8.680 -14.015 1.00 0.00 C ATOM 714 O GLY A 46 -4.056 7.960 -14.995 1.00 0.00 O ATOM 0 H GLY A 46 -5.936 7.758 -12.142 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.320 8.902 -14.559 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.661 10.266 -13.677 1.00 0.00 H new ATOM 718 N THR A 47 -3.275 9.172 -13.242 1.00 0.00 N ATOM 719 CA THR A 47 -1.823 8.971 -13.547 1.00 0.00 C ATOM 720 C THR A 47 -1.072 8.144 -12.461 1.00 0.00 C ATOM 721 O THR A 47 -1.262 8.304 -11.253 1.00 0.00 O ATOM 722 CB THR A 47 -1.037 10.252 -13.828 1.00 0.00 C ATOM 723 OG1 THR A 47 -1.042 11.155 -12.727 1.00 0.00 O ATOM 724 CG2 THR A 47 -1.632 10.947 -15.069 1.00 0.00 C ATOM 0 H THR A 47 -3.447 9.715 -12.396 1.00 0.00 H new ATOM 0 HA THR A 47 -1.857 8.400 -14.475 1.00 0.00 H new ATOM 0 HB THR A 47 0.001 9.968 -14.003 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.140 11.214 -12.348 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.076 11.862 -15.275 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.564 10.279 -15.928 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.678 11.192 -14.882 1.00 0.00 H new ATOM 732 N ILE A 48 -0.165 7.291 -12.957 1.00 0.00 N ATOM 733 CA ILE A 48 0.841 6.568 -12.132 1.00 0.00 C ATOM 734 C ILE A 48 2.180 7.285 -12.529 1.00 0.00 C ATOM 735 O ILE A 48 2.606 7.299 -13.694 1.00 0.00 O ATOM 736 CB ILE A 48 0.919 5.063 -12.421 1.00 0.00 C ATOM 737 CG1 ILE A 48 2.026 4.381 -11.585 1.00 0.00 C ATOM 738 CG2 ILE A 48 1.087 4.769 -13.929 1.00 0.00 C ATOM 739 CD1 ILE A 48 2.233 2.901 -11.916 1.00 0.00 C ATOM 0 H ILE A 48 -0.100 7.074 -13.952 1.00 0.00 H new ATOM 0 HA ILE A 48 0.598 6.609 -11.070 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.035 4.632 -12.117 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.965 4.913 -11.741 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.779 4.475 -10.528 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.138 3.692 -14.086 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.237 5.176 -14.476 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.006 5.232 -14.290 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.026 2.495 -11.288 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.308 2.354 -11.732 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.513 2.798 -12.964 1.00 0.00 H new ATOM 751 N ASP A 49 2.824 7.893 -11.525 1.00 0.00 N ATOM 752 CA ASP A 49 3.975 8.831 -11.737 1.00 0.00 C ATOM 753 C ASP A 49 5.363 8.145 -11.513 1.00 0.00 C ATOM 754 O ASP A 49 5.454 7.094 -10.879 1.00 0.00 O ATOM 755 CB ASP A 49 3.896 10.115 -10.866 1.00 0.00 C ATOM 756 CG ASP A 49 2.716 11.025 -11.248 1.00 0.00 C ATOM 757 OD1 ASP A 49 1.938 10.701 -12.189 1.00 0.00 O ATOM 758 OD2 ASP A 49 2.591 12.091 -10.588 1.00 0.00 O ATOM 0 H ASP A 49 2.578 7.762 -10.544 1.00 0.00 H new ATOM 0 HA ASP A 49 3.890 9.125 -12.783 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.805 9.832 -9.817 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.827 10.674 -10.966 1.00 0.00 H new ATOM 763 N VAL A 50 6.452 8.738 -12.055 1.00 0.00 N ATOM 764 CA VAL A 50 7.834 8.123 -12.143 1.00 0.00 C ATOM 765 C VAL A 50 8.368 7.371 -10.878 1.00 0.00 C ATOM 766 O VAL A 50 9.015 6.346 -11.073 1.00 0.00 O ATOM 767 CB VAL A 50 8.907 9.087 -12.632 1.00 0.00 C ATOM 768 CG1 VAL A 50 8.769 9.214 -14.164 1.00 0.00 C ATOM 769 CG2 VAL A 50 8.808 10.439 -11.894 1.00 0.00 C ATOM 0 H VAL A 50 6.414 9.675 -12.456 1.00 0.00 H new ATOM 0 HA VAL A 50 7.650 7.354 -12.893 1.00 0.00 H new ATOM 0 HB VAL A 50 9.904 8.709 -12.407 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.527 9.900 -14.542 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.904 8.235 -14.624 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.778 9.597 -14.410 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.584 11.111 -12.260 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.829 10.882 -12.076 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.941 10.280 -10.824 1.00 0.00 H new ATOM 779 N LYS A 51 8.121 7.792 -9.626 1.00 0.00 N ATOM 780 CA LYS A 51 8.429 6.947 -8.419 1.00 0.00 C ATOM 781 C LYS A 51 7.715 5.528 -8.416 1.00 0.00 C ATOM 782 O LYS A 51 8.350 4.460 -8.481 1.00 0.00 O ATOM 783 CB LYS A 51 8.023 7.657 -7.102 1.00 0.00 C ATOM 784 CG LYS A 51 8.383 9.153 -7.017 1.00 0.00 C ATOM 785 CD LYS A 51 7.570 9.867 -5.925 1.00 0.00 C ATOM 786 CE LYS A 51 7.666 11.398 -6.004 1.00 0.00 C ATOM 787 NZ LYS A 51 6.697 12.041 -5.086 1.00 0.00 N ATOM 0 H LYS A 51 7.713 8.701 -9.406 1.00 0.00 H new ATOM 0 HA LYS A 51 9.507 6.799 -8.477 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.946 7.552 -6.970 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.498 7.139 -6.269 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.447 9.261 -6.809 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.197 9.628 -7.980 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.524 9.570 -6.007 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.919 9.537 -4.947 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.677 11.716 -5.751 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.476 11.725 -7.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.783 13.075 -5.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.731 11.755 -5.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.896 11.745 -4.109 1.00 0.00 H new ATOM 801 N GLU A 52 6.371 5.573 -8.427 1.00 0.00 N ATOM 802 CA GLU A 52 5.473 4.393 -8.529 1.00 0.00 C ATOM 803 C GLU A 52 5.563 3.654 -9.905 1.00 0.00 C ATOM 804 O GLU A 52 5.636 2.425 -9.916 1.00 0.00 O ATOM 805 CB GLU A 52 3.982 4.787 -8.370 1.00 0.00 C ATOM 806 CG GLU A 52 3.687 5.815 -7.262 1.00 0.00 C ATOM 807 CD GLU A 52 3.711 7.223 -7.857 1.00 0.00 C ATOM 808 OE1 GLU A 52 2.801 7.527 -8.671 1.00 0.00 O ATOM 809 OE2 GLU A 52 4.650 7.994 -7.531 1.00 0.00 O ATOM 0 H GLU A 52 5.858 6.453 -8.364 1.00 0.00 H new ATOM 0 HA GLU A 52 5.813 3.740 -7.725 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.626 5.188 -9.319 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.404 3.885 -8.169 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.714 5.614 -6.814 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.428 5.732 -6.467 1.00 0.00 H new ATOM 816 N LEU A 53 5.622 4.361 -11.054 1.00 0.00 N ATOM 817 CA LEU A 53 5.932 3.758 -12.377 1.00 0.00 C ATOM 818 C LEU A 53 7.328 3.038 -12.480 1.00 0.00 C ATOM 819 O LEU A 53 7.394 1.962 -13.069 1.00 0.00 O ATOM 820 CB LEU A 53 5.832 4.831 -13.486 1.00 0.00 C ATOM 821 CG LEU A 53 5.830 4.315 -14.945 1.00 0.00 C ATOM 822 CD1 LEU A 53 4.690 3.317 -15.228 1.00 0.00 C ATOM 823 CD2 LEU A 53 5.767 5.510 -15.916 1.00 0.00 C ATOM 0 H LEU A 53 5.457 5.367 -11.095 1.00 0.00 H new ATOM 0 HA LEU A 53 5.184 2.976 -12.508 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.919 5.404 -13.325 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.667 5.522 -13.369 1.00 0.00 H new ATOM 0 HG LEU A 53 6.759 3.765 -15.099 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.741 2.991 -16.267 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.791 2.453 -14.571 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.730 3.800 -15.046 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.766 5.145 -16.943 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.856 6.080 -15.733 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.634 6.152 -15.760 1.00 0.00 H new ATOM 835 N LYS A 54 8.423 3.554 -11.888 1.00 0.00 N ATOM 836 CA LYS A 54 9.727 2.826 -11.759 1.00 0.00 C ATOM 837 C LYS A 54 9.662 1.472 -10.986 1.00 0.00 C ATOM 838 O LYS A 54 10.090 0.450 -11.538 1.00 0.00 O ATOM 839 CB LYS A 54 10.808 3.707 -11.087 1.00 0.00 C ATOM 840 CG LYS A 54 12.226 3.111 -11.091 1.00 0.00 C ATOM 841 CD LYS A 54 13.271 4.060 -10.485 1.00 0.00 C ATOM 842 CE LYS A 54 14.687 3.460 -10.483 1.00 0.00 C ATOM 843 NZ LYS A 54 15.669 4.395 -9.883 1.00 0.00 N ATOM 0 H LYS A 54 8.441 4.489 -11.481 1.00 0.00 H new ATOM 0 HA LYS A 54 9.988 2.597 -12.792 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.834 4.672 -11.592 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.512 3.895 -10.055 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.224 2.175 -10.532 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.511 2.870 -12.115 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.277 4.994 -11.047 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.983 4.305 -9.463 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.686 2.523 -9.925 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.985 3.223 -11.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.614 3.961 -9.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.686 5.279 -10.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.397 4.601 -8.901 1.00 0.00 H new ATOM 857 N VAL A 55 9.116 1.433 -9.749 1.00 0.00 N ATOM 858 CA VAL A 55 8.823 0.114 -9.070 1.00 0.00 C ATOM 859 C VAL A 55 7.784 -0.797 -9.832 1.00 0.00 C ATOM 860 O VAL A 55 7.906 -2.029 -9.806 1.00 0.00 O ATOM 861 CB VAL A 55 8.445 0.253 -7.601 1.00 0.00 C ATOM 862 CG1 VAL A 55 9.650 0.853 -6.846 1.00 0.00 C ATOM 863 CG2 VAL A 55 7.178 1.112 -7.418 1.00 0.00 C ATOM 0 H VAL A 55 8.870 2.258 -9.203 1.00 0.00 H new ATOM 0 HA VAL A 55 9.781 -0.405 -9.114 1.00 0.00 H new ATOM 0 HB VAL A 55 8.207 -0.729 -7.191 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.401 0.961 -5.790 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.510 0.192 -6.950 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.891 1.830 -7.264 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.940 1.188 -6.357 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.353 2.109 -7.823 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.344 0.647 -7.944 1.00 0.00 H new ATOM 873 N ALA A 56 6.827 -0.188 -10.550 1.00 0.00 N ATOM 874 CA ALA A 56 5.918 -0.904 -11.491 1.00 0.00 C ATOM 875 C ALA A 56 6.641 -1.569 -12.704 1.00 0.00 C ATOM 876 O ALA A 56 6.424 -2.754 -12.957 1.00 0.00 O ATOM 877 CB ALA A 56 4.817 0.000 -12.080 1.00 0.00 C ATOM 0 H ALA A 56 6.653 0.816 -10.502 1.00 0.00 H new ATOM 0 HA ALA A 56 5.486 -1.676 -10.854 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.191 -0.582 -12.756 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.204 0.400 -11.272 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.276 0.822 -12.629 1.00 0.00 H new ATOM 883 N MET A 57 7.532 -0.841 -13.409 1.00 0.00 N ATOM 884 CA MET A 57 8.417 -1.414 -14.470 1.00 0.00 C ATOM 885 C MET A 57 9.417 -2.517 -13.970 1.00 0.00 C ATOM 886 O MET A 57 9.722 -3.433 -14.734 1.00 0.00 O ATOM 887 CB MET A 57 9.098 -0.350 -15.339 1.00 0.00 C ATOM 888 CG MET A 57 8.136 0.696 -15.966 1.00 0.00 C ATOM 889 SD MET A 57 6.577 0.071 -16.685 1.00 0.00 S ATOM 890 CE MET A 57 6.431 1.381 -17.939 1.00 0.00 C ATOM 0 H MET A 57 7.666 0.160 -13.266 1.00 0.00 H new ATOM 0 HA MET A 57 7.724 -1.945 -15.123 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.837 0.175 -14.733 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.641 -0.850 -16.141 1.00 0.00 H new ATOM 0 HG2 MET A 57 7.884 1.427 -15.198 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.679 1.229 -16.747 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.425 1.372 -18.359 1.00 0.00 H new ATOM 0 HE2 MET A 57 6.623 2.350 -17.477 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.157 1.207 -18.733 1.00 0.00 H new ATOM 900 N ARG A 58 9.908 -2.469 -12.718 1.00 0.00 N ATOM 901 CA ARG A 58 10.666 -3.601 -12.104 1.00 0.00 C ATOM 902 C ARG A 58 9.809 -4.905 -11.911 1.00 0.00 C ATOM 903 O ARG A 58 10.240 -5.965 -12.370 1.00 0.00 O ATOM 904 CB ARG A 58 11.332 -3.212 -10.762 1.00 0.00 C ATOM 905 CG ARG A 58 12.826 -2.859 -10.917 1.00 0.00 C ATOM 906 CD ARG A 58 13.823 -4.003 -10.612 1.00 0.00 C ATOM 907 NE ARG A 58 13.630 -5.200 -11.514 1.00 0.00 N ATOM 908 CZ ARG A 58 13.085 -6.392 -11.115 1.00 0.00 C ATOM 909 NH1 ARG A 58 12.483 -6.524 -9.897 1.00 0.00 N ATOM 910 NH2 ARG A 58 13.142 -7.469 -11.953 1.00 0.00 N ATOM 0 H ARG A 58 9.799 -1.663 -12.103 1.00 0.00 H new ATOM 0 HA ARG A 58 11.447 -3.826 -12.831 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.804 -2.360 -10.333 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.229 -4.038 -10.058 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.995 -2.517 -11.938 1.00 0.00 H new ATOM 0 HG3 ARG A 58 13.052 -2.020 -10.259 1.00 0.00 H new ATOM 0 HD2 ARG A 58 14.842 -3.631 -10.722 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.707 -4.313 -9.574 1.00 0.00 H new ATOM 0 HE ARG A 58 13.926 -5.115 -12.486 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.432 -5.726 -9.264 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.084 -7.421 -9.620 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.587 -7.381 -12.866 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.739 -8.361 -11.665 1.00 0.00 H new ATOM 924 N ALA A 59 8.615 -4.855 -11.274 1.00 0.00 N ATOM 925 CA ALA A 59 7.689 -6.026 -11.230 1.00 0.00 C ATOM 926 C ALA A 59 7.040 -6.465 -12.591 1.00 0.00 C ATOM 927 O ALA A 59 7.112 -7.647 -12.932 1.00 0.00 O ATOM 928 CB ALA A 59 6.520 -5.756 -10.261 1.00 0.00 C ATOM 0 H ALA A 59 8.268 -4.029 -10.787 1.00 0.00 H new ATOM 0 HA ALA A 59 8.346 -6.835 -10.911 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.856 -6.620 -10.242 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.911 -5.577 -9.260 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.965 -4.879 -10.595 1.00 0.00 H new ATOM 934 N LEU A 60 6.399 -5.554 -13.344 1.00 0.00 N ATOM 935 CA LEU A 60 5.761 -5.856 -14.661 1.00 0.00 C ATOM 936 C LEU A 60 6.705 -5.922 -15.897 1.00 0.00 C ATOM 937 O LEU A 60 6.505 -6.782 -16.754 1.00 0.00 O ATOM 938 CB LEU A 60 4.722 -4.748 -14.977 1.00 0.00 C ATOM 939 CG LEU A 60 3.938 -4.879 -16.307 1.00 0.00 C ATOM 940 CD1 LEU A 60 3.054 -6.134 -16.357 1.00 0.00 C ATOM 941 CD2 LEU A 60 3.118 -3.607 -16.575 1.00 0.00 C ATOM 0 H LEU A 60 6.302 -4.578 -13.064 1.00 0.00 H new ATOM 0 HA LEU A 60 5.345 -6.855 -14.528 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.001 -4.717 -14.160 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.240 -3.789 -14.982 1.00 0.00 H new ATOM 0 HG LEU A 60 4.674 -4.995 -17.102 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.530 -6.172 -17.312 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.677 -7.022 -16.250 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.327 -6.100 -15.545 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.574 -3.716 -17.513 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.410 -3.452 -15.761 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.788 -2.750 -16.642 1.00 0.00 H new ATOM 953 N GLY A 61 7.637 -4.967 -16.054 1.00 0.00 N ATOM 954 CA GLY A 61 8.528 -4.900 -17.246 1.00 0.00 C ATOM 955 C GLY A 61 9.401 -6.137 -17.528 1.00 0.00 C ATOM 956 O GLY A 61 9.346 -6.664 -18.641 1.00 0.00 O ATOM 0 H GLY A 61 7.800 -4.225 -15.374 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.909 -4.713 -18.123 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.186 -4.038 -17.131 1.00 0.00 H new ATOM 960 N PHE A 62 10.175 -6.598 -16.521 1.00 0.00 N ATOM 961 CA PHE A 62 10.985 -7.849 -16.583 1.00 0.00 C ATOM 962 C PHE A 62 12.243 -7.626 -17.473 1.00 0.00 C ATOM 963 O PHE A 62 12.119 -7.280 -18.655 1.00 0.00 O ATOM 964 CB PHE A 62 10.285 -9.152 -17.061 1.00 0.00 C ATOM 965 CG PHE A 62 9.133 -9.547 -16.181 1.00 0.00 C ATOM 966 CD1 PHE A 62 9.353 -9.955 -14.853 1.00 0.00 C ATOM 967 CD2 PHE A 62 7.824 -9.580 -16.693 1.00 0.00 C ATOM 968 CE1 PHE A 62 8.285 -10.385 -14.054 1.00 0.00 C ATOM 969 CE2 PHE A 62 6.754 -10.002 -15.895 1.00 0.00 C ATOM 970 CZ PHE A 62 6.986 -10.407 -14.575 1.00 0.00 C ATOM 0 H PHE A 62 10.260 -6.111 -15.629 1.00 0.00 H new ATOM 0 HA PHE A 62 11.217 -8.029 -15.533 1.00 0.00 H new ATOM 0 HB2 PHE A 62 9.927 -9.014 -18.081 1.00 0.00 H new ATOM 0 HB3 PHE A 62 11.013 -9.963 -17.085 1.00 0.00 H new ATOM 0 HD1 PHE A 62 10.353 -9.937 -14.446 1.00 0.00 H new ATOM 0 HD2 PHE A 62 7.642 -9.276 -17.713 1.00 0.00 H new ATOM 0 HE1 PHE A 62 8.464 -10.699 -13.036 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.752 -10.015 -16.297 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.163 -10.736 -13.959 1.00 0.00 H new ATOM 980 N GLU A 63 13.437 -7.991 -16.985 1.00 0.00 N ATOM 981 CA GLU A 63 14.696 -7.646 -17.740 1.00 0.00 C ATOM 982 C GLU A 63 15.030 -8.351 -19.109 1.00 0.00 C ATOM 983 O GLU A 63 16.005 -7.834 -19.679 1.00 0.00 O ATOM 984 CB GLU A 63 15.928 -7.775 -16.801 1.00 0.00 C ATOM 985 CG GLU A 63 16.050 -6.649 -15.741 1.00 0.00 C ATOM 986 CD GLU A 63 15.030 -6.714 -14.601 1.00 0.00 C ATOM 987 OE1 GLU A 63 14.435 -7.798 -14.359 1.00 0.00 O ATOM 988 OE2 GLU A 63 14.837 -5.663 -13.931 1.00 0.00 O ATOM 0 H GLU A 63 13.579 -8.502 -16.114 1.00 0.00 H new ATOM 0 HA GLU A 63 14.468 -6.628 -18.056 1.00 0.00 H new ATOM 0 HB2 GLU A 63 15.879 -8.736 -16.288 1.00 0.00 H new ATOM 0 HB3 GLU A 63 16.833 -7.784 -17.409 1.00 0.00 H new ATOM 0 HG2 GLU A 63 17.052 -6.682 -15.313 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.949 -5.687 -16.243 1.00 0.00 H new ATOM 995 N PRO A 64 14.386 -9.375 -19.759 1.00 0.00 N ATOM 996 CA PRO A 64 14.636 -9.728 -21.192 1.00 0.00 C ATOM 997 C PRO A 64 14.974 -8.558 -22.187 1.00 0.00 C ATOM 998 O PRO A 64 14.408 -7.459 -22.097 1.00 0.00 O ATOM 999 CB PRO A 64 13.402 -10.537 -21.578 1.00 0.00 C ATOM 1000 CG PRO A 64 13.104 -11.313 -20.289 1.00 0.00 C ATOM 1001 CD PRO A 64 13.404 -10.291 -19.183 1.00 0.00 C ATOM 0 HA PRO A 64 15.572 -10.280 -21.280 1.00 0.00 H new ATOM 0 HB2 PRO A 64 12.570 -9.896 -21.868 1.00 0.00 H new ATOM 0 HB3 PRO A 64 13.599 -11.204 -22.418 1.00 0.00 H new ATOM 0 HG2 PRO A 64 12.068 -11.651 -20.254 1.00 0.00 H new ATOM 0 HG3 PRO A 64 13.732 -12.199 -20.199 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.501 -9.760 -18.882 1.00 0.00 H new ATOM 0 HD3 PRO A 64 13.798 -10.780 -18.292 1.00 0.00 H new ATOM 1009 N LYS A 65 15.895 -8.775 -23.139 1.00 0.00 N ATOM 1010 CA LYS A 65 16.443 -7.657 -23.970 1.00 0.00 C ATOM 1011 C LYS A 65 15.551 -7.258 -25.200 1.00 0.00 C ATOM 1012 O LYS A 65 15.827 -7.576 -26.364 1.00 0.00 O ATOM 1013 CB LYS A 65 17.903 -7.918 -24.404 1.00 0.00 C ATOM 1014 CG LYS A 65 18.833 -8.241 -23.213 1.00 0.00 C ATOM 1015 CD LYS A 65 18.984 -7.093 -22.192 1.00 0.00 C ATOM 1016 CE LYS A 65 19.640 -7.500 -20.863 1.00 0.00 C ATOM 1017 NZ LYS A 65 18.779 -8.433 -20.093 1.00 0.00 N ATOM 0 H LYS A 65 16.280 -9.693 -23.361 1.00 0.00 H new ATOM 0 HA LYS A 65 16.429 -6.793 -23.306 1.00 0.00 H new ATOM 0 HB2 LYS A 65 17.924 -8.747 -25.111 1.00 0.00 H new ATOM 0 HB3 LYS A 65 18.283 -7.042 -24.929 1.00 0.00 H new ATOM 0 HG2 LYS A 65 18.450 -9.122 -22.697 1.00 0.00 H new ATOM 0 HG3 LYS A 65 19.819 -8.501 -23.598 1.00 0.00 H new ATOM 0 HD2 LYS A 65 19.575 -6.297 -22.645 1.00 0.00 H new ATOM 0 HD3 LYS A 65 17.998 -6.678 -21.983 1.00 0.00 H new ATOM 0 HE2 LYS A 65 20.603 -7.971 -21.061 1.00 0.00 H new ATOM 0 HE3 LYS A 65 19.838 -6.610 -20.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 19.167 -8.554 -19.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 17.816 -8.045 -20.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 18.749 -9.355 -20.574 1.00 0.00 H new ATOM 1031 N LYS A 66 14.494 -6.499 -24.865 1.00 0.00 N ATOM 1032 CA LYS A 66 13.602 -5.774 -25.806 1.00 0.00 C ATOM 1033 C LYS A 66 13.543 -4.317 -25.239 1.00 0.00 C ATOM 1034 O LYS A 66 13.099 -4.120 -24.099 1.00 0.00 O ATOM 1035 CB LYS A 66 12.159 -6.350 -25.851 1.00 0.00 C ATOM 1036 CG LYS A 66 11.241 -5.732 -26.929 1.00 0.00 C ATOM 1037 CD LYS A 66 9.873 -6.439 -27.058 1.00 0.00 C ATOM 1038 CE LYS A 66 8.746 -5.885 -26.162 1.00 0.00 C ATOM 1039 NZ LYS A 66 8.169 -4.633 -26.707 1.00 0.00 N ATOM 0 H LYS A 66 14.220 -6.364 -23.892 1.00 0.00 H new ATOM 0 HA LYS A 66 13.987 -5.850 -26.823 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.219 -7.425 -26.019 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.696 -6.205 -24.875 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.076 -4.680 -26.694 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.751 -5.767 -27.892 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.549 -6.377 -28.097 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.008 -7.496 -26.829 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.960 -6.634 -26.063 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.136 -5.699 -25.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.350 -4.349 -26.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.887 -3.881 -26.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.865 -4.790 -27.689 1.00 0.00 H new ATOM 1053 N GLU A 67 14.007 -3.294 -25.987 1.00 0.00 N ATOM 1054 CA GLU A 67 14.079 -1.896 -25.450 1.00 0.00 C ATOM 1055 C GLU A 67 12.669 -1.208 -25.448 1.00 0.00 C ATOM 1056 O GLU A 67 12.270 -0.535 -26.405 1.00 0.00 O ATOM 1057 CB GLU A 67 15.020 -0.959 -26.237 1.00 0.00 C ATOM 1058 CG GLU A 67 16.507 -1.330 -26.147 1.00 0.00 C ATOM 1059 CD GLU A 67 17.304 -0.204 -26.800 1.00 0.00 C ATOM 1060 OE1 GLU A 67 17.164 -0.025 -28.041 1.00 0.00 O ATOM 1061 OE2 GLU A 67 18.015 0.531 -26.063 1.00 0.00 O ATOM 0 H GLU A 67 14.334 -3.394 -26.948 1.00 0.00 H new ATOM 0 HA GLU A 67 14.471 -2.028 -24.442 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.721 -0.961 -27.285 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.889 0.059 -25.870 1.00 0.00 H new ATOM 0 HG2 GLU A 67 16.807 -1.458 -25.107 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.697 -2.277 -26.653 1.00 0.00 H new ATOM 1068 N GLU A 68 11.944 -1.380 -24.330 1.00 0.00 N ATOM 1069 CA GLU A 68 10.580 -0.828 -24.141 1.00 0.00 C ATOM 1070 C GLU A 68 10.505 0.093 -22.885 1.00 0.00 C ATOM 1071 O GLU A 68 10.237 1.281 -23.053 1.00 0.00 O ATOM 1072 CB GLU A 68 9.598 -2.005 -24.001 1.00 0.00 C ATOM 1073 CG GLU A 68 8.113 -1.621 -23.990 1.00 0.00 C ATOM 1074 CD GLU A 68 7.323 -2.900 -24.207 1.00 0.00 C ATOM 1075 OE1 GLU A 68 7.547 -3.859 -23.425 1.00 0.00 O ATOM 1076 OE2 GLU A 68 6.567 -2.979 -25.211 1.00 0.00 O ATOM 0 H GLU A 68 12.283 -1.907 -23.525 1.00 0.00 H new ATOM 0 HA GLU A 68 10.318 -0.215 -25.004 1.00 0.00 H new ATOM 0 HB2 GLU A 68 9.771 -2.701 -24.822 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.825 -2.539 -23.078 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.842 -1.156 -23.042 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.896 -0.896 -24.774 1.00 0.00 H new ATOM 1083 N ILE A 69 10.782 -0.384 -21.653 1.00 0.00 N ATOM 1084 CA ILE A 69 10.619 0.441 -20.397 1.00 0.00 C ATOM 1085 C ILE A 69 11.537 1.730 -20.367 1.00 0.00 C ATOM 1086 O ILE A 69 11.069 2.822 -20.023 1.00 0.00 O ATOM 1087 CB ILE A 69 11.118 -0.469 -19.271 1.00 0.00 C ATOM 1088 CG1 ILE A 69 10.279 -1.774 -19.168 1.00 0.00 C ATOM 1089 CG2 ILE A 69 11.262 0.289 -17.934 1.00 0.00 C ATOM 1090 CD1 ILE A 69 8.761 -1.577 -19.175 1.00 0.00 C ATOM 0 H ILE A 69 11.120 -1.331 -21.482 1.00 0.00 H new ATOM 0 HA ILE A 69 9.584 0.774 -20.319 1.00 0.00 H new ATOM 0 HB ILE A 69 12.127 -0.790 -19.529 1.00 0.00 H new ATOM 0 HG12 ILE A 69 10.548 -2.426 -19.999 1.00 0.00 H new ATOM 0 HG13 ILE A 69 10.557 -2.294 -18.251 1.00 0.00 H new ATOM 0 HG21 ILE A 69 11.618 -0.396 -17.164 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.975 1.104 -18.053 1.00 0.00 H new ATOM 0 HG23 ILE A 69 10.294 0.694 -17.639 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.268 -2.546 -19.099 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.471 -0.955 -18.328 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.462 -1.089 -20.103 1.00 0.00 H new ATOM 1102 N LYS A 70 12.812 1.604 -20.790 1.00 0.00 N ATOM 1103 CA LYS A 70 13.738 2.749 -21.048 1.00 0.00 C ATOM 1104 C LYS A 70 13.198 3.805 -22.084 1.00 0.00 C ATOM 1105 O LYS A 70 13.231 5.014 -21.824 1.00 0.00 O ATOM 1106 CB LYS A 70 15.031 2.129 -21.652 1.00 0.00 C ATOM 1107 CG LYS A 70 16.115 3.074 -22.202 1.00 0.00 C ATOM 1108 CD LYS A 70 17.231 2.283 -22.912 1.00 0.00 C ATOM 1109 CE LYS A 70 18.210 3.162 -23.704 1.00 0.00 C ATOM 1110 NZ LYS A 70 19.202 2.336 -24.434 1.00 0.00 N ATOM 0 H LYS A 70 13.242 0.696 -20.967 1.00 0.00 H new ATOM 0 HA LYS A 70 13.879 3.281 -20.107 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.492 1.510 -20.882 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.732 1.462 -22.461 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.666 3.781 -22.899 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.541 3.658 -21.386 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.789 1.714 -22.168 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.776 1.561 -23.590 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.657 3.781 -24.411 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.727 3.839 -23.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.596 2.885 -25.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 19.969 2.062 -23.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.738 1.481 -24.803 1.00 0.00 H new ATOM 1124 N LYS A 71 12.702 3.342 -23.247 1.00 0.00 N ATOM 1125 CA LYS A 71 12.045 4.215 -24.257 1.00 0.00 C ATOM 1126 C LYS A 71 10.620 4.718 -23.840 1.00 0.00 C ATOM 1127 O LYS A 71 10.291 5.830 -24.237 1.00 0.00 O ATOM 1128 CB LYS A 71 11.985 3.547 -25.646 1.00 0.00 C ATOM 1129 CG LYS A 71 13.405 3.316 -26.189 1.00 0.00 C ATOM 1130 CD LYS A 71 13.478 2.617 -27.553 1.00 0.00 C ATOM 1131 CE LYS A 71 14.940 2.397 -27.969 1.00 0.00 C ATOM 1132 NZ LYS A 71 15.080 1.415 -29.069 1.00 0.00 N ATOM 0 H LYS A 71 12.741 2.360 -23.518 1.00 0.00 H new ATOM 0 HA LYS A 71 12.684 5.097 -24.313 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.456 2.597 -25.577 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.422 4.176 -26.336 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.909 4.280 -26.265 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.962 2.722 -25.464 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.960 1.659 -27.505 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.967 3.219 -28.304 1.00 0.00 H new ATOM 0 HE2 LYS A 71 15.372 3.348 -28.280 1.00 0.00 H new ATOM 0 HE3 LYS A 71 15.511 2.054 -27.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.918 0.822 -28.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.232 0.814 -29.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.188 1.919 -29.972 1.00 0.00 H new ATOM 1146 N MET A 72 9.801 4.024 -23.017 1.00 0.00 N ATOM 1147 CA MET A 72 8.549 4.610 -22.433 1.00 0.00 C ATOM 1148 C MET A 72 8.871 5.865 -21.544 1.00 0.00 C ATOM 1149 O MET A 72 8.343 6.939 -21.842 1.00 0.00 O ATOM 1150 CB MET A 72 7.763 3.619 -21.527 1.00 0.00 C ATOM 1151 CG MET A 72 6.477 3.038 -22.148 1.00 0.00 C ATOM 1152 SD MET A 72 6.658 1.497 -23.094 1.00 0.00 S ATOM 1153 CE MET A 72 7.301 2.150 -24.658 1.00 0.00 C ATOM 0 H MET A 72 9.975 3.059 -22.736 1.00 0.00 H new ATOM 0 HA MET A 72 7.940 4.871 -23.299 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.423 2.794 -21.261 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.501 4.129 -20.600 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.759 2.864 -21.346 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.044 3.793 -22.805 1.00 0.00 H new ATOM 0 HE1 MET A 72 7.551 1.323 -25.322 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.544 2.777 -25.129 1.00 0.00 H new ATOM 0 HE3 MET A 72 8.195 2.743 -24.465 1.00 0.00 H new ATOM 1163 N ILE A 73 9.765 5.776 -20.523 1.00 0.00 N ATOM 1164 CA ILE A 73 10.158 6.964 -19.688 1.00 0.00 C ATOM 1165 C ILE A 73 10.796 8.144 -20.508 1.00 0.00 C ATOM 1166 O ILE A 73 10.453 9.304 -20.265 1.00 0.00 O ATOM 1167 CB ILE A 73 11.092 6.566 -18.543 1.00 0.00 C ATOM 1168 CG1 ILE A 73 10.534 5.368 -17.723 1.00 0.00 C ATOM 1169 CG2 ILE A 73 11.379 7.773 -17.618 1.00 0.00 C ATOM 1170 CD1 ILE A 73 9.187 5.616 -17.033 1.00 0.00 C ATOM 0 H ILE A 73 10.228 4.908 -20.253 1.00 0.00 H new ATOM 0 HA ILE A 73 9.219 7.336 -19.279 1.00 0.00 H new ATOM 0 HB ILE A 73 12.030 6.243 -18.994 1.00 0.00 H new ATOM 0 HG12 ILE A 73 10.430 4.511 -18.388 1.00 0.00 H new ATOM 0 HG13 ILE A 73 11.267 5.096 -16.964 1.00 0.00 H new ATOM 0 HG21 ILE A 73 12.045 7.464 -16.812 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.851 8.569 -18.194 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.443 8.138 -17.195 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.887 4.721 -16.489 1.00 0.00 H new ATOM 0 HD12 ILE A 73 9.283 6.449 -16.336 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.433 5.855 -17.783 1.00 0.00 H new ATOM 1182 N SER A 74 11.682 7.857 -21.482 1.00 0.00 N ATOM 1183 CA SER A 74 12.265 8.901 -22.373 1.00 0.00 C ATOM 1184 C SER A 74 11.322 9.513 -23.474 1.00 0.00 C ATOM 1185 O SER A 74 11.459 10.699 -23.787 1.00 0.00 O ATOM 1186 CB SER A 74 13.518 8.312 -23.081 1.00 0.00 C ATOM 1187 OG SER A 74 14.346 9.316 -23.663 1.00 0.00 O ATOM 0 H SER A 74 12.015 6.913 -21.678 1.00 0.00 H new ATOM 0 HA SER A 74 12.487 9.731 -21.702 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.101 7.739 -22.360 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.198 7.616 -23.857 1.00 0.00 H new ATOM 0 HG SER A 74 15.119 8.894 -24.093 1.00 0.00 H new ATOM 1193 N GLU A 75 10.482 8.721 -24.165 1.00 0.00 N ATOM 1194 CA GLU A 75 9.614 9.179 -25.284 1.00 0.00 C ATOM 1195 C GLU A 75 8.288 9.872 -24.844 1.00 0.00 C ATOM 1196 O GLU A 75 7.792 10.754 -25.548 1.00 0.00 O ATOM 1197 CB GLU A 75 9.215 7.926 -26.114 1.00 0.00 C ATOM 1198 CG GLU A 75 8.469 8.131 -27.444 1.00 0.00 C ATOM 1199 CD GLU A 75 8.150 6.750 -28.018 1.00 0.00 C ATOM 1200 OE1 GLU A 75 9.106 5.961 -28.253 1.00 0.00 O ATOM 1201 OE2 GLU A 75 6.944 6.430 -28.199 1.00 0.00 O ATOM 0 H GLU A 75 10.380 7.726 -23.964 1.00 0.00 H new ATOM 0 HA GLU A 75 10.193 9.919 -25.837 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.126 7.367 -26.328 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.594 7.293 -25.480 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.553 8.699 -27.284 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.081 8.703 -28.141 1.00 0.00 H new ATOM 1208 N ILE A 76 7.666 9.358 -23.769 1.00 0.00 N ATOM 1209 CA ILE A 76 6.290 9.714 -23.356 1.00 0.00 C ATOM 1210 C ILE A 76 6.073 11.035 -22.533 1.00 0.00 C ATOM 1211 O ILE A 76 4.922 11.474 -22.447 1.00 0.00 O ATOM 1212 CB ILE A 76 5.484 8.615 -22.656 1.00 0.00 C ATOM 1213 CG1 ILE A 76 5.803 8.492 -21.136 1.00 0.00 C ATOM 1214 CG2 ILE A 76 5.600 7.316 -23.488 1.00 0.00 C ATOM 1215 CD1 ILE A 76 5.228 7.246 -20.461 1.00 0.00 C ATOM 0 H ILE A 76 8.107 8.675 -23.153 1.00 0.00 H new ATOM 0 HA ILE A 76 5.909 9.882 -24.363 1.00 0.00 H new ATOM 0 HB ILE A 76 4.427 8.879 -22.631 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.885 8.493 -21.005 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.419 9.375 -20.625 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.032 6.522 -23.004 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.203 7.488 -24.489 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.647 7.021 -23.559 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.501 7.245 -19.406 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.142 7.249 -20.555 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.631 6.354 -20.940 1.00 0.00 H new ATOM 1227 N ASP A 77 7.088 11.622 -21.896 1.00 0.00 N ATOM 1228 CA ASP A 77 6.980 12.989 -21.297 1.00 0.00 C ATOM 1229 C ASP A 77 7.874 13.966 -22.128 1.00 0.00 C ATOM 1230 O ASP A 77 9.106 13.863 -22.139 1.00 0.00 O ATOM 1231 CB ASP A 77 7.430 13.028 -19.814 1.00 0.00 C ATOM 1232 CG ASP A 77 6.907 14.289 -19.133 1.00 0.00 C ATOM 1233 OD1 ASP A 77 7.504 15.388 -19.303 1.00 0.00 O ATOM 1234 OD2 ASP A 77 5.875 14.168 -18.414 1.00 0.00 O ATOM 0 H ASP A 77 8.002 11.186 -21.772 1.00 0.00 H new ATOM 0 HA ASP A 77 5.931 13.285 -21.325 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.061 12.145 -19.292 1.00 0.00 H new ATOM 0 HB3 ASP A 77 8.518 13.001 -19.757 1.00 0.00 H new ATOM 1239 N LYS A 78 7.234 14.885 -22.868 1.00 0.00 N ATOM 1240 CA LYS A 78 7.918 15.907 -23.722 1.00 0.00 C ATOM 1241 C LYS A 78 7.677 17.403 -23.315 1.00 0.00 C ATOM 1242 O LYS A 78 7.648 18.313 -24.150 1.00 0.00 O ATOM 1243 CB LYS A 78 7.565 15.665 -25.217 1.00 0.00 C ATOM 1244 CG LYS A 78 8.761 15.231 -26.091 1.00 0.00 C ATOM 1245 CD LYS A 78 9.533 14.007 -25.566 1.00 0.00 C ATOM 1246 CE LYS A 78 10.585 13.487 -26.554 1.00 0.00 C ATOM 1247 NZ LYS A 78 11.557 12.591 -25.885 1.00 0.00 N ATOM 0 H LYS A 78 6.217 14.952 -22.900 1.00 0.00 H new ATOM 0 HA LYS A 78 8.985 15.760 -23.554 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.791 14.900 -25.276 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.141 16.580 -25.631 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.398 15.011 -27.095 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.452 16.069 -26.178 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.023 14.269 -24.628 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.826 13.208 -25.344 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.092 12.951 -27.365 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.113 14.329 -27.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.957 11.931 -26.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.322 13.159 -25.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.075 12.054 -25.136 1.00 0.00 H new ATOM 1261 N GLU A 79 7.580 17.638 -22.007 1.00 0.00 N ATOM 1262 CA GLU A 79 7.173 18.937 -21.406 1.00 0.00 C ATOM 1263 C GLU A 79 8.148 19.325 -20.241 1.00 0.00 C ATOM 1264 O GLU A 79 8.698 20.429 -20.228 1.00 0.00 O ATOM 1265 CB GLU A 79 5.728 18.914 -20.839 1.00 0.00 C ATOM 1266 CG GLU A 79 4.650 18.569 -21.892 1.00 0.00 C ATOM 1267 CD GLU A 79 4.287 17.084 -21.852 1.00 0.00 C ATOM 1268 OE1 GLU A 79 3.582 16.690 -20.885 1.00 0.00 O ATOM 1269 OE2 GLU A 79 4.692 16.325 -22.770 1.00 0.00 O ATOM 0 H GLU A 79 7.784 16.924 -21.308 1.00 0.00 H new ATOM 0 HA GLU A 79 7.214 19.670 -22.212 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.677 18.187 -20.029 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.502 19.889 -20.407 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.758 19.168 -21.711 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.013 18.830 -22.886 1.00 0.00 H new ATOM 1276 N GLY A 80 8.345 18.416 -19.268 1.00 0.00 N ATOM 1277 CA GLY A 80 9.255 18.601 -18.108 1.00 0.00 C ATOM 1278 C GLY A 80 8.727 17.993 -16.789 1.00 0.00 C ATOM 1279 O GLY A 80 8.772 18.652 -15.747 1.00 0.00 O ATOM 0 H GLY A 80 7.870 17.513 -19.260 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.220 18.152 -18.342 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.427 19.667 -17.961 1.00 0.00 H new ATOM 1283 N THR A 81 8.218 16.751 -16.835 1.00 0.00 N ATOM 1284 CA THR A 81 7.475 16.114 -15.710 1.00 0.00 C ATOM 1285 C THR A 81 7.931 14.626 -15.601 1.00 0.00 C ATOM 1286 O THR A 81 9.124 14.330 -15.473 1.00 0.00 O ATOM 1287 CB THR A 81 5.961 16.341 -15.750 1.00 0.00 C ATOM 1288 OG1 THR A 81 5.473 16.399 -17.085 1.00 0.00 O ATOM 1289 CG2 THR A 81 5.638 17.691 -15.072 1.00 0.00 C ATOM 0 H THR A 81 8.305 16.149 -17.654 1.00 0.00 H new ATOM 0 HA THR A 81 7.735 16.611 -14.776 1.00 0.00 H new ATOM 0 HB THR A 81 5.486 15.506 -15.234 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.532 15.510 -17.494 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.562 17.862 -15.096 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.979 17.669 -14.037 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.145 18.496 -15.604 1.00 0.00 H new ATOM 1297 N GLY A 82 6.977 13.706 -15.557 1.00 0.00 N ATOM 1298 CA GLY A 82 7.244 12.261 -15.358 1.00 0.00 C ATOM 1299 C GLY A 82 5.996 11.550 -14.831 1.00 0.00 C ATOM 1300 O GLY A 82 5.801 11.305 -13.639 1.00 0.00 O ATOM 0 H GLY A 82 5.986 13.927 -15.657 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.555 11.810 -16.300 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.067 12.131 -14.655 1.00 0.00 H new ATOM 1304 N LYS A 83 5.189 11.217 -15.814 1.00 0.00 N ATOM 1305 CA LYS A 83 3.798 10.724 -15.633 1.00 0.00 C ATOM 1306 C LYS A 83 3.396 9.686 -16.710 1.00 0.00 C ATOM 1307 O LYS A 83 3.921 9.669 -17.830 1.00 0.00 O ATOM 1308 CB LYS A 83 2.779 11.890 -15.713 1.00 0.00 C ATOM 1309 CG LYS A 83 2.899 12.714 -17.011 1.00 0.00 C ATOM 1310 CD LYS A 83 1.916 13.890 -17.103 1.00 0.00 C ATOM 1311 CE LYS A 83 1.987 14.627 -18.452 1.00 0.00 C ATOM 1312 NZ LYS A 83 3.315 15.226 -18.684 1.00 0.00 N ATOM 0 H LYS A 83 5.467 11.275 -16.794 1.00 0.00 H new ATOM 0 HA LYS A 83 3.777 10.256 -14.649 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.769 11.487 -15.638 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.923 12.549 -14.857 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.916 13.098 -17.092 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.739 12.054 -17.863 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.902 13.522 -16.949 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.125 14.595 -16.298 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.757 13.931 -19.258 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.227 15.408 -18.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.321 15.713 -19.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.524 15.910 -17.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.038 14.478 -18.684 1.00 0.00 H new ATOM 1326 N MET A 84 2.386 8.870 -16.382 1.00 0.00 N ATOM 1327 CA MET A 84 1.739 7.983 -17.373 1.00 0.00 C ATOM 1328 C MET A 84 0.240 7.795 -16.997 1.00 0.00 C ATOM 1329 O MET A 84 -0.046 7.419 -15.855 1.00 0.00 O ATOM 1330 CB MET A 84 2.446 6.610 -17.416 1.00 0.00 C ATOM 1331 CG MET A 84 2.160 5.775 -18.670 1.00 0.00 C ATOM 1332 SD MET A 84 3.285 4.352 -18.822 1.00 0.00 S ATOM 1333 CE MET A 84 3.125 4.165 -20.619 1.00 0.00 C ATOM 0 H MET A 84 1.996 8.801 -15.442 1.00 0.00 H new ATOM 0 HA MET A 84 1.815 8.440 -18.359 1.00 0.00 H new ATOM 0 HB2 MET A 84 3.522 6.769 -17.341 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.147 6.036 -16.539 1.00 0.00 H new ATOM 0 HG2 MET A 84 1.130 5.420 -18.640 1.00 0.00 H new ATOM 0 HG3 MET A 84 2.254 6.406 -19.554 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.346 3.135 -20.899 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.107 4.413 -20.921 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.825 4.835 -21.118 1.00 0.00 H new ATOM 1343 N ASN A 85 -0.704 7.928 -17.949 1.00 0.00 N ATOM 1344 CA ASN A 85 -2.129 7.540 -17.703 1.00 0.00 C ATOM 1345 C ASN A 85 -2.389 6.122 -18.281 1.00 0.00 C ATOM 1346 O ASN A 85 -1.563 5.483 -18.942 1.00 0.00 O ATOM 1347 CB ASN A 85 -3.178 8.593 -18.167 1.00 0.00 C ATOM 1348 CG ASN A 85 -3.015 8.987 -19.640 1.00 0.00 C ATOM 1349 OD1 ASN A 85 -3.395 8.222 -20.532 1.00 0.00 O ATOM 1350 ND2 ASN A 85 -2.452 10.205 -19.893 1.00 0.00 N ATOM 0 H ASN A 85 -0.522 8.293 -18.884 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.272 7.511 -16.623 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.180 8.193 -18.012 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.090 9.484 -17.546 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -2.329 10.520 -20.855 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -2.155 10.800 -19.120 1.00 0.00 H new ATOM 1357 N PHE A 86 -3.591 5.629 -17.986 1.00 0.00 N ATOM 1358 CA PHE A 86 -4.074 4.345 -18.577 1.00 0.00 C ATOM 1359 C PHE A 86 -4.412 4.432 -20.104 1.00 0.00 C ATOM 1360 O PHE A 86 -4.456 3.377 -20.744 1.00 0.00 O ATOM 1361 CB PHE A 86 -5.318 3.814 -17.811 1.00 0.00 C ATOM 1362 CG PHE A 86 -5.494 2.319 -17.963 1.00 0.00 C ATOM 1363 CD1 PHE A 86 -4.501 1.443 -17.491 1.00 0.00 C ATOM 1364 CD2 PHE A 86 -6.656 1.774 -18.536 1.00 0.00 C ATOM 1365 CE1 PHE A 86 -4.669 0.056 -17.569 1.00 0.00 C ATOM 1366 CE2 PHE A 86 -6.820 0.385 -18.635 1.00 0.00 C ATOM 1367 CZ PHE A 86 -5.826 -0.475 -18.148 1.00 0.00 C ATOM 0 H PHE A 86 -4.253 6.078 -17.353 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.238 3.653 -18.473 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.223 4.060 -16.753 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.211 4.321 -18.177 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.596 1.846 -17.062 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.430 2.431 -18.904 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.906 -0.604 -17.183 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.712 -0.022 -19.087 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.953 -1.545 -18.220 1.00 0.00 H new ATOM 1377 N GLY A 87 -4.647 5.631 -20.699 1.00 0.00 N ATOM 1378 CA GLY A 87 -4.711 5.756 -22.188 1.00 0.00 C ATOM 1379 C GLY A 87 -3.316 5.504 -22.848 1.00 0.00 C ATOM 1380 O GLY A 87 -3.218 4.659 -23.741 1.00 0.00 O ATOM 0 H GLY A 87 -4.792 6.504 -20.192 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.435 5.043 -22.583 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.066 6.751 -22.455 1.00 0.00 H new ATOM 1384 N ASP A 88 -2.240 6.157 -22.349 1.00 0.00 N ATOM 1385 CA ASP A 88 -0.825 5.856 -22.693 1.00 0.00 C ATOM 1386 C ASP A 88 -0.462 4.352 -22.439 1.00 0.00 C ATOM 1387 O ASP A 88 -0.053 3.662 -23.369 1.00 0.00 O ATOM 1388 CB ASP A 88 0.226 6.626 -21.839 1.00 0.00 C ATOM 1389 CG ASP A 88 -0.011 8.131 -21.789 1.00 0.00 C ATOM 1390 OD1 ASP A 88 -0.212 8.749 -22.865 1.00 0.00 O ATOM 1391 OD2 ASP A 88 0.020 8.677 -20.652 1.00 0.00 O ATOM 0 H ASP A 88 -2.330 6.924 -21.682 1.00 0.00 H new ATOM 0 HA ASP A 88 -0.774 6.148 -23.742 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.216 6.231 -20.823 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.220 6.437 -22.244 1.00 0.00 H new ATOM 1396 N PHE A 89 -0.666 3.851 -21.199 1.00 0.00 N ATOM 1397 CA PHE A 89 -0.308 2.472 -20.775 1.00 0.00 C ATOM 1398 C PHE A 89 -0.937 1.334 -21.639 1.00 0.00 C ATOM 1399 O PHE A 89 -0.205 0.510 -22.194 1.00 0.00 O ATOM 1400 CB PHE A 89 -0.672 2.253 -19.280 1.00 0.00 C ATOM 1401 CG PHE A 89 0.158 1.217 -18.558 1.00 0.00 C ATOM 1402 CD1 PHE A 89 1.560 1.166 -18.672 1.00 0.00 C ATOM 1403 CD2 PHE A 89 -0.466 0.375 -17.620 1.00 0.00 C ATOM 1404 CE1 PHE A 89 2.319 0.343 -17.834 1.00 0.00 C ATOM 1405 CE2 PHE A 89 0.289 -0.454 -16.781 1.00 0.00 C ATOM 1406 CZ PHE A 89 1.684 -0.452 -16.876 1.00 0.00 C ATOM 0 H PHE A 89 -1.090 4.400 -20.451 1.00 0.00 H new ATOM 0 HA PHE A 89 0.769 2.401 -20.926 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.573 3.204 -18.756 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.721 1.962 -19.217 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.056 1.771 -19.417 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.543 0.368 -17.546 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.395 0.322 -17.927 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.204 -1.093 -16.063 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.271 -1.065 -16.209 1.00 0.00 H new ATOM 1416 N LEU A 90 -2.275 1.330 -21.791 1.00 0.00 N ATOM 1417 CA LEU A 90 -2.989 0.352 -22.652 1.00 0.00 C ATOM 1418 C LEU A 90 -2.691 0.488 -24.185 1.00 0.00 C ATOM 1419 O LEU A 90 -2.405 -0.535 -24.810 1.00 0.00 O ATOM 1420 CB LEU A 90 -4.520 0.438 -22.429 1.00 0.00 C ATOM 1421 CG LEU A 90 -5.359 -0.698 -23.066 1.00 0.00 C ATOM 1422 CD1 LEU A 90 -4.958 -2.098 -22.559 1.00 0.00 C ATOM 1423 CD2 LEU A 90 -6.863 -0.445 -22.848 1.00 0.00 C ATOM 0 H LEU A 90 -2.892 1.996 -21.327 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.604 -0.620 -22.343 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.712 0.448 -21.356 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.873 1.390 -22.825 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.147 -0.685 -24.135 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.581 -2.852 -23.041 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.911 -2.285 -22.798 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.098 -2.148 -21.479 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.437 -1.253 -23.302 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.074 -0.406 -21.779 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.143 0.503 -23.308 1.00 0.00 H new ATOM 1435 N THR A 91 -2.711 1.699 -24.788 1.00 0.00 N ATOM 1436 CA THR A 91 -2.368 1.894 -26.236 1.00 0.00 C ATOM 1437 C THR A 91 -0.859 1.633 -26.581 1.00 0.00 C ATOM 1438 O THR A 91 -0.575 0.912 -27.544 1.00 0.00 O ATOM 1439 CB THR A 91 -2.827 3.207 -26.863 1.00 0.00 C ATOM 1440 OG1 THR A 91 -2.155 4.345 -26.334 1.00 0.00 O ATOM 1441 CG2 THR A 91 -4.348 3.355 -26.649 1.00 0.00 C ATOM 0 H THR A 91 -2.959 2.562 -24.304 1.00 0.00 H new ATOM 0 HA THR A 91 -2.967 1.111 -26.700 1.00 0.00 H new ATOM 0 HB THR A 91 -2.582 3.167 -27.924 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.475 4.521 -25.425 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.689 4.290 -27.093 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.865 2.520 -27.121 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.566 3.360 -25.581 1.00 0.00 H new ATOM 1449 N VAL A 92 0.105 2.194 -25.820 1.00 0.00 N ATOM 1450 CA VAL A 92 1.566 1.951 -26.052 1.00 0.00 C ATOM 1451 C VAL A 92 2.007 0.461 -25.832 1.00 0.00 C ATOM 1452 O VAL A 92 2.687 -0.083 -26.706 1.00 0.00 O ATOM 1453 CB VAL A 92 2.484 2.943 -25.324 1.00 0.00 C ATOM 1454 CG1 VAL A 92 2.838 2.533 -23.876 1.00 0.00 C ATOM 1455 CG2 VAL A 92 3.758 3.162 -26.165 1.00 0.00 C ATOM 0 H VAL A 92 -0.090 2.819 -25.038 1.00 0.00 H new ATOM 0 HA VAL A 92 1.698 2.146 -27.116 1.00 0.00 H new ATOM 0 HB VAL A 92 1.930 3.876 -25.223 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.489 3.287 -23.433 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.924 2.452 -23.287 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.350 1.571 -23.885 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.415 3.866 -25.654 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.276 2.212 -26.296 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.485 3.564 -27.141 1.00 0.00 H new ATOM 1465 N MET A 93 1.599 -0.205 -24.729 1.00 0.00 N ATOM 1466 CA MET A 93 1.853 -1.667 -24.533 1.00 0.00 C ATOM 1467 C MET A 93 1.115 -2.597 -25.554 1.00 0.00 C ATOM 1468 O MET A 93 1.752 -3.539 -26.021 1.00 0.00 O ATOM 1469 CB MET A 93 1.551 -2.153 -23.097 1.00 0.00 C ATOM 1470 CG MET A 93 2.399 -1.440 -22.021 1.00 0.00 C ATOM 1471 SD MET A 93 4.197 -1.675 -22.193 1.00 0.00 S ATOM 1472 CE MET A 93 4.651 -0.708 -20.724 1.00 0.00 C ATOM 0 H MET A 93 1.095 0.235 -23.960 1.00 0.00 H new ATOM 0 HA MET A 93 2.923 -1.755 -24.720 1.00 0.00 H new ATOM 0 HB2 MET A 93 0.494 -1.994 -22.882 1.00 0.00 H new ATOM 0 HB3 MET A 93 1.730 -3.227 -23.039 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.181 -0.373 -22.054 1.00 0.00 H new ATOM 0 HG3 MET A 93 2.091 -1.798 -21.039 1.00 0.00 H new ATOM 0 HE1 MET A 93 5.735 -0.703 -20.612 1.00 0.00 H new ATOM 0 HE2 MET A 93 4.294 0.315 -20.837 1.00 0.00 H new ATOM 0 HE3 MET A 93 4.197 -1.155 -19.840 1.00 0.00 H new ATOM 1482 N THR A 94 -0.154 -2.360 -25.960 1.00 0.00 N ATOM 1483 CA THR A 94 -0.794 -3.109 -27.095 1.00 0.00 C ATOM 1484 C THR A 94 0.008 -3.015 -28.445 1.00 0.00 C ATOM 1485 O THR A 94 0.454 -4.056 -28.945 1.00 0.00 O ATOM 1486 CB THR A 94 -2.221 -2.617 -27.314 1.00 0.00 C ATOM 1487 OG1 THR A 94 -3.003 -2.858 -26.152 1.00 0.00 O ATOM 1488 CG2 THR A 94 -2.937 -3.306 -28.484 1.00 0.00 C ATOM 0 H THR A 94 -0.761 -1.663 -25.529 1.00 0.00 H new ATOM 0 HA THR A 94 -0.794 -4.159 -26.801 1.00 0.00 H new ATOM 0 HB THR A 94 -2.129 -1.554 -27.539 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.909 -2.105 -25.532 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.946 -2.906 -28.579 1.00 0.00 H new ATOM 0 HG22 THR A 94 -2.385 -3.124 -29.406 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.988 -4.379 -28.298 1.00 0.00 H new ATOM 1496 N GLN A 95 0.250 -1.789 -28.977 1.00 0.00 N ATOM 1497 CA GLN A 95 1.120 -1.563 -30.167 1.00 0.00 C ATOM 1498 C GLN A 95 2.570 -2.152 -30.073 1.00 0.00 C ATOM 1499 O GLN A 95 2.980 -2.883 -30.978 1.00 0.00 O ATOM 1500 CB GLN A 95 1.275 -0.032 -30.375 1.00 0.00 C ATOM 1501 CG GLN A 95 2.095 0.403 -31.605 1.00 0.00 C ATOM 1502 CD GLN A 95 2.313 1.918 -31.540 1.00 0.00 C ATOM 1503 OE1 GLN A 95 3.410 2.376 -31.201 1.00 0.00 O ATOM 1504 NE2 GLN A 95 1.239 2.700 -31.853 1.00 0.00 N ATOM 0 H GLN A 95 -0.149 -0.931 -28.597 1.00 0.00 H new ATOM 0 HA GLN A 95 0.621 -2.082 -30.986 1.00 0.00 H new ATOM 0 HB2 GLN A 95 0.280 0.407 -30.453 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.741 0.390 -29.485 1.00 0.00 H new ATOM 0 HG2 GLN A 95 3.053 -0.116 -31.623 1.00 0.00 H new ATOM 0 HG3 GLN A 95 1.571 0.136 -32.522 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.356 2.268 -32.127 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.319 3.716 -31.813 1.00 0.00 H new ATOM 1513 N LYS A 96 3.359 -1.791 -29.042 1.00 0.00 N ATOM 1514 CA LYS A 96 4.795 -2.199 -28.948 1.00 0.00 C ATOM 1515 C LYS A 96 5.058 -3.659 -28.409 1.00 0.00 C ATOM 1516 O LYS A 96 6.085 -4.234 -28.790 1.00 0.00 O ATOM 1517 CB LYS A 96 5.633 -1.162 -28.166 1.00 0.00 C ATOM 1518 CG LYS A 96 5.565 0.229 -28.830 1.00 0.00 C ATOM 1519 CD LYS A 96 6.465 1.284 -28.167 1.00 0.00 C ATOM 1520 CE LYS A 96 6.339 2.687 -28.794 1.00 0.00 C ATOM 1521 NZ LYS A 96 7.162 3.681 -28.065 1.00 0.00 N ATOM 0 H LYS A 96 3.038 -1.220 -28.260 1.00 0.00 H new ATOM 0 HA LYS A 96 5.127 -2.224 -29.986 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.269 -1.096 -27.141 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.670 -1.493 -28.116 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.847 0.134 -29.879 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.534 0.581 -28.808 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.218 1.346 -27.107 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.503 0.957 -28.234 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.650 2.650 -29.838 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.295 2.999 -28.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.793 4.636 -28.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.124 3.482 -27.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.147 3.623 -28.392 1.00 0.00 H new ATOM 1535 N MET A 97 4.199 -4.288 -27.570 1.00 0.00 N ATOM 1536 CA MET A 97 4.311 -5.748 -27.241 1.00 0.00 C ATOM 1537 C MET A 97 3.808 -6.694 -28.389 1.00 0.00 C ATOM 1538 O MET A 97 4.545 -7.629 -28.714 1.00 0.00 O ATOM 1539 CB MET A 97 3.471 -6.168 -26.008 1.00 0.00 C ATOM 1540 CG MET A 97 3.930 -5.564 -24.670 1.00 0.00 C ATOM 1541 SD MET A 97 5.392 -6.387 -23.963 1.00 0.00 S ATOM 1542 CE MET A 97 5.183 -5.691 -22.297 1.00 0.00 C ATOM 0 H MET A 97 3.422 -3.818 -27.106 1.00 0.00 H new ATOM 0 HA MET A 97 5.381 -5.861 -27.064 1.00 0.00 H new ATOM 0 HB2 MET A 97 2.433 -5.883 -26.181 1.00 0.00 H new ATOM 0 HB3 MET A 97 3.494 -7.255 -25.925 1.00 0.00 H new ATOM 0 HG2 MET A 97 4.153 -4.507 -24.815 1.00 0.00 H new ATOM 0 HG3 MET A 97 3.110 -5.621 -23.955 1.00 0.00 H new ATOM 0 HE1 MET A 97 5.980 -6.054 -21.648 1.00 0.00 H new ATOM 0 HE2 MET A 97 5.225 -4.603 -22.349 1.00 0.00 H new ATOM 0 HE3 MET A 97 4.218 -5.998 -21.893 1.00 0.00 H new ATOM 1552 N SER A 98 2.570 -6.551 -28.925 1.00 0.00 N ATOM 1553 CA SER A 98 2.004 -7.521 -29.904 1.00 0.00 C ATOM 1554 C SER A 98 2.504 -7.319 -31.361 1.00 0.00 C ATOM 1555 O SER A 98 2.260 -6.219 -31.922 1.00 0.00 O ATOM 1556 CB SER A 98 0.461 -7.434 -29.937 1.00 0.00 C ATOM 1557 OG SER A 98 -0.068 -7.462 -28.615 1.00 0.00 O ATOM 1558 OXT SER A 98 3.099 -8.268 -31.935 1.00 0.00 O ATOM 0 H SER A 98 1.945 -5.778 -28.699 1.00 0.00 H new ATOM 0 HA SER A 98 2.348 -8.494 -29.553 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.153 -6.517 -30.439 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.056 -8.265 -30.515 1.00 0.00 H new ATOM 0 HG SER A 98 -0.994 -7.783 -28.640 1.00 0.00 H new