USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 707 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 Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -151:sc= -0.161 (180deg=-1.58) USER MOD Single : A 33 TYR OH : rot 141:sc= 1.24 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 78:sc= 1.24 USER MOD Single : A 45 MET CE :methyl -173:sc= -0.271 (180deg=-0.369) USER MOD Single : A 47 LYS NZ :NH3+ -156:sc= 1.23 (180deg=1.1) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -127:sc= 0.718 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl -173:sc= -0.0794 (180deg=-0.174) USER MOD Single : A 74 CYS SG : rot 117:sc= -0.231 USER MOD Single : A 76 LYS NZ :NH3+ 153:sc= 2.01 (180deg=1.11) USER MOD Single : A 78 MET CE :methyl -162:sc= 0 (180deg=-0.0657) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 164:sc= 1.23 (180deg=0.782) USER MOD Single : A 98 SER OG : rot -111:sc= 0.739 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.002 USER MOD Single : A 110 GLN : amide:sc= 1.34 K(o=1.3,f=-0.094) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 280 N ILE A 18 -1.674 -7.222 12.785 1.00 0.00 N ATOM 281 CA ILE A 18 -2.651 -7.013 11.709 1.00 0.00 C ATOM 282 C ILE A 18 -3.551 -8.243 11.544 1.00 0.00 C ATOM 283 O ILE A 18 -4.766 -8.082 11.426 1.00 0.00 O ATOM 284 CB ILE A 18 -1.941 -6.616 10.384 1.00 0.00 C ATOM 285 CG1 ILE A 18 -0.887 -5.503 10.611 1.00 0.00 C ATOM 286 CG2 ILE A 18 -2.974 -6.172 9.329 1.00 0.00 C ATOM 287 CD1 ILE A 18 -0.241 -4.949 9.335 1.00 0.00 C ATOM 0 HA ILE A 18 -3.298 -6.180 11.983 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.417 -7.498 10.015 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.360 -4.680 11.147 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.101 -5.894 11.257 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.459 -5.898 8.408 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.664 -6.991 9.128 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.530 -5.312 9.703 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.481 -4.176 9.599 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.267 -5.755 8.805 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.011 -4.522 8.693 1.00 0.00 H new ATOM 299 N ILE A 19 -2.994 -9.461 11.582 1.00 0.00 N ATOM 300 CA ILE A 19 -3.722 -10.678 11.205 1.00 0.00 C ATOM 301 C ILE A 19 -3.556 -11.829 12.217 1.00 0.00 C ATOM 302 O ILE A 19 -3.678 -12.994 11.845 1.00 0.00 O ATOM 303 CB ILE A 19 -3.301 -11.073 9.778 1.00 0.00 C ATOM 304 CG1 ILE A 19 -1.786 -11.337 9.745 1.00 0.00 C ATOM 305 CG2 ILE A 19 -3.691 -10.003 8.735 1.00 0.00 C ATOM 306 CD1 ILE A 19 -1.421 -12.261 8.601 1.00 0.00 C ATOM 0 H ILE A 19 -2.031 -9.629 11.873 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.791 -10.466 11.222 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.838 -11.983 9.509 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.251 -10.393 9.640 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.470 -11.779 10.690 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.373 -10.328 7.744 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.772 -9.865 8.742 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.204 -9.060 8.982 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.344 -12.431 8.600 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.939 -13.212 8.722 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.717 -11.805 7.656 1.00 0.00 H new ATOM 318 N VAL A 20 -3.255 -11.527 13.483 1.00 0.00 N ATOM 319 CA VAL A 20 -2.857 -12.511 14.498 1.00 0.00 C ATOM 320 C VAL A 20 -3.768 -13.746 14.595 1.00 0.00 C ATOM 321 O VAL A 20 -3.268 -14.861 14.758 1.00 0.00 O ATOM 322 CB VAL A 20 -2.672 -11.796 15.855 1.00 0.00 C ATOM 323 CG1 VAL A 20 -4.003 -11.342 16.478 1.00 0.00 C ATOM 324 CG2 VAL A 20 -1.914 -12.675 16.857 1.00 0.00 C ATOM 0 H VAL A 20 -3.281 -10.572 13.840 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.905 -12.933 14.177 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.082 -10.905 15.638 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.809 -10.846 17.429 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.503 -10.648 15.802 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.642 -12.210 16.644 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.803 -12.139 17.800 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.471 -13.596 17.027 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.929 -12.915 16.458 1.00 0.00 H new ATOM 334 N ASP A 21 -5.085 -13.568 14.460 1.00 0.00 N ATOM 335 CA ASP A 21 -6.091 -14.631 14.566 1.00 0.00 C ATOM 336 C ASP A 21 -6.829 -14.834 13.229 1.00 0.00 C ATOM 337 O ASP A 21 -7.803 -15.605 13.142 1.00 0.00 O ATOM 338 CB ASP A 21 -7.081 -14.313 15.701 1.00 0.00 C ATOM 339 CG ASP A 21 -8.195 -13.333 15.284 1.00 0.00 C ATOM 340 OD1 ASP A 21 -7.884 -12.243 14.754 1.00 0.00 O ATOM 341 OD2 ASP A 21 -9.387 -13.629 15.529 1.00 0.00 O ATOM 0 H ASP A 21 -5.494 -12.653 14.268 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.581 -15.565 14.803 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.535 -15.241 16.048 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.533 -13.892 16.544 1.00 0.00 H new ATOM 346 N ALA A 22 -6.354 -14.127 12.194 1.00 0.00 N ATOM 347 CA ALA A 22 -7.013 -13.991 10.915 1.00 0.00 C ATOM 348 C ALA A 22 -6.275 -14.752 9.825 1.00 0.00 C ATOM 349 O ALA A 22 -5.121 -14.476 9.483 1.00 0.00 O ATOM 350 CB ALA A 22 -7.154 -12.529 10.519 1.00 0.00 C ATOM 0 H ALA A 22 -5.469 -13.622 12.240 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.009 -14.421 11.023 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.653 -12.460 9.553 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.744 -12.004 11.270 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.166 -12.074 10.450 1.00 0.00 H new ATOM 356 N GLU A 23 -7.012 -15.670 9.229 1.00 0.00 N ATOM 357 CA GLU A 23 -6.577 -16.506 8.113 1.00 0.00 C ATOM 358 C GLU A 23 -7.721 -16.983 7.231 1.00 0.00 C ATOM 359 O GLU A 23 -7.500 -17.357 6.078 1.00 0.00 O ATOM 360 CB GLU A 23 -5.710 -17.658 8.614 1.00 0.00 C ATOM 361 CG GLU A 23 -6.380 -18.954 9.086 1.00 0.00 C ATOM 362 CD GLU A 23 -7.091 -18.849 10.442 1.00 0.00 C ATOM 363 OE1 GLU A 23 -6.694 -18.065 11.329 1.00 0.00 O ATOM 364 OE2 GLU A 23 -8.090 -19.565 10.671 1.00 0.00 O ATOM 0 H GLU A 23 -7.971 -15.866 9.517 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.967 -15.878 7.464 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.019 -17.920 7.813 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.110 -17.280 9.442 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.104 -19.268 8.334 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.624 -19.737 9.147 1.00 0.00 H new ATOM 371 N ASP A 24 -8.941 -16.961 7.762 1.00 0.00 N ATOM 372 CA ASP A 24 -10.132 -17.157 6.961 1.00 0.00 C ATOM 373 C ASP A 24 -10.214 -15.849 6.168 1.00 0.00 C ATOM 374 O ASP A 24 -9.934 -14.777 6.716 1.00 0.00 O ATOM 375 CB ASP A 24 -11.369 -17.392 7.841 1.00 0.00 C ATOM 376 CG ASP A 24 -11.254 -18.621 8.772 1.00 0.00 C ATOM 377 OD1 ASP A 24 -11.471 -19.755 8.286 1.00 0.00 O ATOM 378 OD2 ASP A 24 -10.981 -18.469 9.992 1.00 0.00 O ATOM 0 H ASP A 24 -9.124 -16.807 8.754 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.093 -18.038 6.320 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.544 -16.504 8.448 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.241 -17.516 7.199 1.00 0.00 H new ATOM 383 N LYS A 25 -10.559 -15.910 4.880 1.00 0.00 N ATOM 384 CA LYS A 25 -10.432 -14.750 3.979 1.00 0.00 C ATOM 385 C LYS A 25 -11.115 -13.512 4.519 1.00 0.00 C ATOM 386 O LYS A 25 -10.582 -12.407 4.409 1.00 0.00 O ATOM 387 CB LYS A 25 -11.005 -15.042 2.583 1.00 0.00 C ATOM 388 CG LYS A 25 -10.601 -16.400 2.016 1.00 0.00 C ATOM 389 CD LYS A 25 -9.077 -16.616 2.041 1.00 0.00 C ATOM 390 CE LYS A 25 -8.656 -17.959 1.445 1.00 0.00 C ATOM 391 NZ LYS A 25 -9.095 -19.136 2.239 1.00 0.00 N ATOM 0 H LYS A 25 -10.929 -16.748 4.432 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.360 -14.563 3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.093 -14.989 2.630 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.677 -14.261 1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.087 -17.189 2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.960 -16.484 0.990 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.592 -15.811 1.488 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.723 -16.554 3.070 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.063 -18.041 0.437 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.570 -17.980 1.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.773 -20.008 1.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.687 -19.082 3.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.133 -19.142 2.306 1.00 0.00 H new ATOM 405 N GLU A 26 -12.295 -13.718 5.099 1.00 0.00 N ATOM 406 CA GLU A 26 -13.121 -12.625 5.551 1.00 0.00 C ATOM 407 C GLU A 26 -12.417 -11.916 6.713 1.00 0.00 C ATOM 408 O GLU A 26 -12.432 -10.690 6.798 1.00 0.00 O ATOM 409 CB GLU A 26 -14.510 -13.139 5.961 1.00 0.00 C ATOM 410 CG GLU A 26 -15.237 -13.854 4.810 1.00 0.00 C ATOM 411 CD GLU A 26 -16.657 -14.284 5.220 1.00 0.00 C ATOM 412 OE1 GLU A 26 -16.825 -15.388 5.787 1.00 0.00 O ATOM 413 OE2 GLU A 26 -17.627 -13.535 4.963 1.00 0.00 O ATOM 0 H GLU A 26 -12.694 -14.642 5.263 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.267 -11.909 4.742 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.406 -13.824 6.802 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.117 -12.301 6.305 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.292 -13.192 3.946 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.664 -14.730 4.505 1.00 0.00 H new ATOM 420 N GLU A 27 -11.742 -12.676 7.583 1.00 0.00 N ATOM 421 CA GLU A 27 -11.008 -12.118 8.706 1.00 0.00 C ATOM 422 C GLU A 27 -9.772 -11.396 8.199 1.00 0.00 C ATOM 423 O GLU A 27 -9.486 -10.294 8.655 1.00 0.00 O ATOM 424 CB GLU A 27 -10.500 -13.213 9.646 1.00 0.00 C ATOM 425 CG GLU A 27 -11.542 -14.204 10.144 1.00 0.00 C ATOM 426 CD GLU A 27 -10.844 -15.334 10.905 1.00 0.00 C ATOM 427 OE1 GLU A 27 -9.780 -15.839 10.461 1.00 0.00 O ATOM 428 OE2 GLU A 27 -11.339 -15.741 11.981 1.00 0.00 O ATOM 0 H GLU A 27 -11.694 -13.693 7.522 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.692 -11.452 9.232 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.715 -13.769 9.133 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.039 -12.736 10.511 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.258 -13.701 10.794 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.105 -14.610 9.304 1.00 0.00 H new ATOM 435 N ARG A 28 -8.999 -12.023 7.300 1.00 0.00 N ATOM 436 CA ARG A 28 -7.711 -11.470 6.905 1.00 0.00 C ATOM 437 C ARG A 28 -7.924 -10.150 6.171 1.00 0.00 C ATOM 438 O ARG A 28 -7.201 -9.193 6.445 1.00 0.00 O ATOM 439 CB ARG A 28 -6.911 -12.526 6.126 1.00 0.00 C ATOM 440 CG ARG A 28 -5.449 -12.091 5.947 1.00 0.00 C ATOM 441 CD ARG A 28 -4.527 -13.260 5.576 1.00 0.00 C ATOM 442 NE ARG A 28 -4.155 -14.068 6.748 1.00 0.00 N ATOM 443 CZ ARG A 28 -3.336 -15.125 6.734 1.00 0.00 C ATOM 444 NH1 ARG A 28 -2.821 -15.585 5.595 1.00 0.00 N ATOM 445 NH2 ARG A 28 -3.058 -15.713 7.891 1.00 0.00 N ATOM 0 H ARG A 28 -9.245 -12.901 6.843 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.100 -11.226 7.774 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.948 -13.478 6.655 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.368 -12.686 5.150 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.393 -11.328 5.170 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.095 -11.632 6.870 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.025 -13.894 4.843 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.625 -12.873 5.103 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.556 -13.799 7.647 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.049 -15.130 4.711 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.198 -16.393 5.606 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.466 -15.356 8.755 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.437 -16.522 7.916 1.00 0.00 H new ATOM 459 N ALA A 29 -8.963 -10.061 5.334 1.00 0.00 N ATOM 460 CA ALA A 29 -9.375 -8.810 4.722 1.00 0.00 C ATOM 461 C ALA A 29 -9.671 -7.749 5.788 1.00 0.00 C ATOM 462 O ALA A 29 -9.160 -6.635 5.696 1.00 0.00 O ATOM 463 CB ALA A 29 -10.598 -9.064 3.835 1.00 0.00 C ATOM 0 H ALA A 29 -9.538 -10.860 5.067 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.563 -8.426 4.105 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.913 -8.129 3.372 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.341 -9.784 3.058 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.412 -9.460 4.442 1.00 0.00 H new ATOM 469 N MET A 30 -10.463 -8.079 6.813 1.00 0.00 N ATOM 470 CA MET A 30 -10.819 -7.145 7.879 1.00 0.00 C ATOM 471 C MET A 30 -9.622 -6.759 8.756 1.00 0.00 C ATOM 472 O MET A 30 -9.557 -5.613 9.202 1.00 0.00 O ATOM 473 CB MET A 30 -11.954 -7.741 8.721 1.00 0.00 C ATOM 474 CG MET A 30 -13.357 -7.416 8.189 1.00 0.00 C ATOM 475 SD MET A 30 -13.759 -7.716 6.435 1.00 0.00 S ATOM 476 CE MET A 30 -13.220 -6.194 5.602 1.00 0.00 C ATOM 0 H MET A 30 -10.875 -9.005 6.925 1.00 0.00 H new ATOM 0 HA MET A 30 -11.158 -6.220 7.412 1.00 0.00 H new ATOM 0 HB2 MET A 30 -11.833 -8.823 8.762 1.00 0.00 H new ATOM 0 HB3 MET A 30 -11.868 -7.371 9.743 1.00 0.00 H new ATOM 0 HG2 MET A 30 -14.070 -7.984 8.787 1.00 0.00 H new ATOM 0 HG3 MET A 30 -13.543 -6.361 8.388 1.00 0.00 H new ATOM 0 HE1 MET A 30 -13.833 -6.027 4.716 1.00 0.00 H new ATOM 0 HE2 MET A 30 -13.328 -5.349 6.282 1.00 0.00 H new ATOM 0 HE3 MET A 30 -12.175 -6.291 5.307 1.00 0.00 H new ATOM 486 N GLY A 31 -8.666 -7.662 8.985 1.00 0.00 N ATOM 487 CA GLY A 31 -7.448 -7.373 9.729 1.00 0.00 C ATOM 488 C GLY A 31 -6.669 -6.261 9.033 1.00 0.00 C ATOM 489 O GLY A 31 -6.367 -5.223 9.634 1.00 0.00 O ATOM 0 H GLY A 31 -8.721 -8.625 8.653 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.695 -7.074 10.747 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.833 -8.270 9.801 1.00 0.00 H new ATOM 493 N TRP A 32 -6.433 -6.444 7.730 1.00 0.00 N ATOM 494 CA TRP A 32 -5.839 -5.411 6.902 1.00 0.00 C ATOM 495 C TRP A 32 -6.684 -4.139 6.936 1.00 0.00 C ATOM 496 O TRP A 32 -6.122 -3.073 7.169 1.00 0.00 O ATOM 497 CB TRP A 32 -5.621 -5.937 5.478 1.00 0.00 C ATOM 498 CG TRP A 32 -4.407 -6.805 5.361 1.00 0.00 C ATOM 499 CD1 TRP A 32 -4.372 -8.147 5.217 1.00 0.00 C ATOM 500 CD2 TRP A 32 -3.014 -6.380 5.401 1.00 0.00 C ATOM 501 NE1 TRP A 32 -3.061 -8.581 5.194 1.00 0.00 N ATOM 502 CE2 TRP A 32 -2.177 -7.530 5.321 1.00 0.00 C ATOM 503 CE3 TRP A 32 -2.382 -5.125 5.483 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -0.778 -7.434 5.355 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -0.981 -5.013 5.490 1.00 0.00 C ATOM 506 CH2 TRP A 32 -0.180 -6.165 5.423 1.00 0.00 C ATOM 0 H TRP A 32 -6.649 -7.307 7.231 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.860 -5.146 7.302 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.499 -6.503 5.166 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.526 -5.093 4.794 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.239 -8.785 5.132 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.781 -9.557 5.095 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.985 -4.231 5.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.168 -8.325 5.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.519 -4.038 5.547 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.896 -6.075 5.424 1.00 0.00 H new ATOM 517 N TYR A 33 -8.009 -4.242 6.775 1.00 0.00 N ATOM 518 CA TYR A 33 -8.906 -3.092 6.718 1.00 0.00 C ATOM 519 C TYR A 33 -8.733 -2.180 7.929 1.00 0.00 C ATOM 520 O TYR A 33 -8.426 -0.996 7.775 1.00 0.00 O ATOM 521 CB TYR A 33 -10.373 -3.559 6.623 1.00 0.00 C ATOM 522 CG TYR A 33 -11.401 -2.480 6.306 1.00 0.00 C ATOM 523 CD1 TYR A 33 -11.685 -1.426 7.197 1.00 0.00 C ATOM 524 CD2 TYR A 33 -12.114 -2.565 5.101 1.00 0.00 C ATOM 525 CE1 TYR A 33 -12.615 -0.433 6.847 1.00 0.00 C ATOM 526 CE2 TYR A 33 -13.067 -1.590 4.738 1.00 0.00 C ATOM 527 CZ TYR A 33 -13.304 -0.504 5.614 1.00 0.00 C ATOM 528 OH TYR A 33 -14.182 0.480 5.287 1.00 0.00 O ATOM 0 H TYR A 33 -8.489 -5.137 6.680 1.00 0.00 H new ATOM 0 HA TYR A 33 -8.648 -2.522 5.826 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -10.438 -4.331 5.856 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.646 -4.026 7.569 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -11.185 -1.381 8.153 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -11.929 -3.396 4.436 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.805 0.388 7.522 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -13.607 -1.671 3.806 1.00 0.00 H new ATOM 0 HH TYR A 33 -14.110 0.678 4.330 1.00 0.00 H new ATOM 538 N TYR A 34 -8.961 -2.710 9.134 1.00 0.00 N ATOM 539 CA TYR A 34 -9.048 -1.878 10.325 1.00 0.00 C ATOM 540 C TYR A 34 -7.699 -1.251 10.635 1.00 0.00 C ATOM 541 O TYR A 34 -7.631 -0.068 10.959 1.00 0.00 O ATOM 542 CB TYR A 34 -9.598 -2.686 11.507 1.00 0.00 C ATOM 543 CG TYR A 34 -8.577 -3.249 12.473 1.00 0.00 C ATOM 544 CD1 TYR A 34 -7.985 -4.491 12.200 1.00 0.00 C ATOM 545 CD2 TYR A 34 -8.187 -2.514 13.607 1.00 0.00 C ATOM 546 CE1 TYR A 34 -7.013 -5.020 13.067 1.00 0.00 C ATOM 547 CE2 TYR A 34 -7.218 -3.035 14.484 1.00 0.00 C ATOM 548 CZ TYR A 34 -6.631 -4.296 14.220 1.00 0.00 C ATOM 549 OH TYR A 34 -5.701 -4.821 15.067 1.00 0.00 O ATOM 0 H TYR A 34 -9.087 -3.708 9.305 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.748 -1.063 10.139 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.283 -2.049 12.067 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.186 -3.514 11.110 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.277 -5.044 11.319 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.631 -1.550 13.805 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.559 -5.976 12.853 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.922 -2.473 15.358 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.548 -4.201 15.810 1.00 0.00 H new ATOM 559 N TYR A 35 -6.630 -2.037 10.514 1.00 0.00 N ATOM 560 CA TYR A 35 -5.292 -1.547 10.801 1.00 0.00 C ATOM 561 C TYR A 35 -4.867 -0.482 9.785 1.00 0.00 C ATOM 562 O TYR A 35 -4.270 0.525 10.177 1.00 0.00 O ATOM 563 CB TYR A 35 -4.316 -2.726 10.801 1.00 0.00 C ATOM 564 CG TYR A 35 -2.911 -2.336 11.208 1.00 0.00 C ATOM 565 CD1 TYR A 35 -2.567 -2.274 12.571 1.00 0.00 C ATOM 566 CD2 TYR A 35 -1.955 -2.011 10.227 1.00 0.00 C ATOM 567 CE1 TYR A 35 -1.272 -1.887 12.955 1.00 0.00 C ATOM 568 CE2 TYR A 35 -0.656 -1.628 10.603 1.00 0.00 C ATOM 569 CZ TYR A 35 -0.307 -1.565 11.972 1.00 0.00 C ATOM 570 OH TYR A 35 0.948 -1.199 12.358 1.00 0.00 O ATOM 0 H TYR A 35 -6.669 -3.013 10.220 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.286 -1.076 11.784 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.684 -3.494 11.481 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.290 -3.168 9.805 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.300 -2.524 13.324 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.221 -2.056 9.181 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.013 -1.835 14.002 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.075 -1.382 9.847 1.00 0.00 H new ATOM 0 HH TYR A 35 1.492 -1.011 11.565 1.00 0.00 H new ATOM 580 N LEU A 36 -5.180 -0.665 8.495 1.00 0.00 N ATOM 581 CA LEU A 36 -4.860 0.321 7.476 1.00 0.00 C ATOM 582 C LEU A 36 -5.650 1.583 7.732 1.00 0.00 C ATOM 583 O LEU A 36 -5.003 2.625 7.789 1.00 0.00 O ATOM 584 CB LEU A 36 -5.097 -0.199 6.049 1.00 0.00 C ATOM 585 CG LEU A 36 -3.829 -0.776 5.389 1.00 0.00 C ATOM 586 CD1 LEU A 36 -2.940 -1.635 6.299 1.00 0.00 C ATOM 587 CD2 LEU A 36 -4.231 -1.599 4.161 1.00 0.00 C ATOM 0 H LEU A 36 -5.657 -1.494 8.140 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.794 0.536 7.545 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.867 -0.970 6.074 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.480 0.614 5.433 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.222 0.091 5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.077 -1.990 5.735 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.600 -1.037 7.145 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.511 -2.489 6.664 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.338 -2.010 3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.887 -2.414 4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.755 -0.960 3.450 1.00 0.00 H new ATOM 599 N ASP A 37 -6.975 1.527 7.965 1.00 0.00 N ATOM 600 CA ASP A 37 -7.672 2.758 8.334 1.00 0.00 C ATOM 601 C ASP A 37 -6.999 3.356 9.523 1.00 0.00 C ATOM 602 O ASP A 37 -6.743 4.560 9.498 1.00 0.00 O ATOM 603 CB ASP A 37 -9.153 2.647 8.745 1.00 0.00 C ATOM 604 CG ASP A 37 -9.727 4.026 9.223 1.00 0.00 C ATOM 605 OD1 ASP A 37 -9.338 4.601 10.284 1.00 0.00 O ATOM 606 OD2 ASP A 37 -10.613 4.549 8.512 1.00 0.00 O ATOM 0 H ASP A 37 -7.553 0.688 7.907 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.634 3.340 7.413 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.738 2.282 7.901 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.255 1.913 9.545 1.00 0.00 H new ATOM 611 N ASP A 38 -6.704 2.568 10.563 1.00 0.00 N ATOM 612 CA ASP A 38 -6.303 3.258 11.754 1.00 0.00 C ATOM 613 C ASP A 38 -4.995 4.017 11.580 1.00 0.00 C ATOM 614 O ASP A 38 -4.882 5.140 12.076 1.00 0.00 O ATOM 615 CB ASP A 38 -6.431 2.514 13.073 1.00 0.00 C ATOM 616 CG ASP A 38 -6.571 3.606 14.172 1.00 0.00 C ATOM 617 OD1 ASP A 38 -7.112 4.715 13.887 1.00 0.00 O ATOM 618 OD2 ASP A 38 -6.153 3.354 15.324 1.00 0.00 O ATOM 0 H ASP A 38 -6.734 1.549 10.596 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.087 4.005 11.876 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.299 1.855 13.066 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.557 1.888 13.254 1.00 0.00 H new ATOM 623 N THR A 39 -4.116 3.491 10.734 1.00 0.00 N ATOM 624 CA THR A 39 -2.819 4.078 10.474 1.00 0.00 C ATOM 625 C THR A 39 -2.975 5.320 9.583 1.00 0.00 C ATOM 626 O THR A 39 -2.345 6.350 9.827 1.00 0.00 O ATOM 627 CB THR A 39 -1.947 2.996 9.820 1.00 0.00 C ATOM 628 OG1 THR A 39 -1.899 1.823 10.611 1.00 0.00 O ATOM 629 CG2 THR A 39 -0.530 3.520 9.650 1.00 0.00 C ATOM 0 H THR A 39 -4.292 2.636 10.207 1.00 0.00 H new ATOM 0 HA THR A 39 -2.340 4.414 11.394 1.00 0.00 H new ATOM 0 HB THR A 39 -2.388 2.752 8.854 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.730 1.316 10.495 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.089 2.752 9.186 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.544 4.407 9.016 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.118 3.777 10.626 1.00 0.00 H new ATOM 637 N LEU A 40 -3.813 5.225 8.550 1.00 0.00 N ATOM 638 CA LEU A 40 -4.140 6.317 7.649 1.00 0.00 C ATOM 639 C LEU A 40 -4.914 7.390 8.430 1.00 0.00 C ATOM 640 O LEU A 40 -5.748 7.094 9.298 1.00 0.00 O ATOM 641 CB LEU A 40 -4.981 5.770 6.474 1.00 0.00 C ATOM 642 CG LEU A 40 -4.284 4.684 5.616 1.00 0.00 C ATOM 643 CD1 LEU A 40 -5.286 3.908 4.754 1.00 0.00 C ATOM 644 CD2 LEU A 40 -3.219 5.239 4.675 1.00 0.00 C ATOM 0 H LEU A 40 -4.295 4.357 8.315 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.233 6.766 7.244 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.908 5.357 6.872 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.256 6.602 5.826 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.809 4.031 6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.757 3.157 4.168 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.017 3.418 5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.798 4.597 4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.774 4.422 4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.676 5.952 3.989 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.445 5.740 5.256 1.00 0.00 H new ATOM 656 N GLU A 41 -4.688 8.653 8.080 1.00 0.00 N ATOM 657 CA GLU A 41 -5.373 9.802 8.663 1.00 0.00 C ATOM 658 C GLU A 41 -6.057 10.563 7.527 1.00 0.00 C ATOM 659 O GLU A 41 -5.674 11.674 7.156 1.00 0.00 O ATOM 660 CB GLU A 41 -4.406 10.633 9.525 1.00 0.00 C ATOM 661 CG GLU A 41 -4.002 9.896 10.814 1.00 0.00 C ATOM 662 CD GLU A 41 -5.165 9.773 11.822 1.00 0.00 C ATOM 663 OE1 GLU A 41 -5.337 10.685 12.663 1.00 0.00 O ATOM 664 OE2 GLU A 41 -5.915 8.766 11.798 1.00 0.00 O ATOM 0 H GLU A 41 -4.007 8.912 7.366 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.154 9.502 9.362 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.513 10.865 8.945 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.875 11.583 9.782 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.641 8.900 10.559 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.173 10.425 11.285 1.00 0.00 H new ATOM 671 N PHE A 42 -7.051 9.896 6.931 1.00 0.00 N ATOM 672 CA PHE A 42 -7.927 10.453 5.908 1.00 0.00 C ATOM 673 C PHE A 42 -8.630 11.740 6.401 1.00 0.00 C ATOM 674 O PHE A 42 -8.852 11.881 7.609 1.00 0.00 O ATOM 675 CB PHE A 42 -9.008 9.426 5.545 1.00 0.00 C ATOM 676 CG PHE A 42 -8.560 8.075 5.017 1.00 0.00 C ATOM 677 CD1 PHE A 42 -8.366 7.895 3.633 1.00 0.00 C ATOM 678 CD2 PHE A 42 -8.498 6.960 5.879 1.00 0.00 C ATOM 679 CE1 PHE A 42 -8.178 6.602 3.111 1.00 0.00 C ATOM 680 CE2 PHE A 42 -8.317 5.673 5.349 1.00 0.00 C ATOM 681 CZ PHE A 42 -8.176 5.491 3.966 1.00 0.00 C ATOM 0 H PHE A 42 -7.270 8.926 7.157 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.311 10.695 5.042 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.615 9.252 6.433 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.659 9.877 4.797 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.362 8.750 2.973 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.590 7.097 6.946 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.035 6.465 2.049 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.286 4.819 6.009 1.00 0.00 H new ATOM 0 HZ PHE A 42 -8.066 4.496 3.560 1.00 0.00 H new ATOM 691 N PRO A 43 -9.072 12.635 5.496 1.00 0.00 N ATOM 692 CA PRO A 43 -8.769 12.618 4.071 1.00 0.00 C ATOM 693 C PRO A 43 -7.296 12.984 3.853 1.00 0.00 C ATOM 694 O PRO A 43 -6.711 13.733 4.641 1.00 0.00 O ATOM 695 CB PRO A 43 -9.716 13.641 3.438 1.00 0.00 C ATOM 696 CG PRO A 43 -9.947 14.652 4.560 1.00 0.00 C ATOM 697 CD PRO A 43 -9.890 13.794 5.825 1.00 0.00 C ATOM 0 HA PRO A 43 -8.912 11.636 3.620 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.272 14.110 2.560 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.649 13.179 3.115 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.182 15.428 4.566 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -10.909 15.154 4.457 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -9.457 14.353 6.655 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.890 13.489 6.134 1.00 0.00 H new ATOM 705 N PHE A 44 -6.696 12.465 2.782 1.00 0.00 N ATOM 706 CA PHE A 44 -5.319 12.781 2.408 1.00 0.00 C ATOM 707 C PHE A 44 -5.213 12.842 0.885 1.00 0.00 C ATOM 708 O PHE A 44 -6.094 12.346 0.190 1.00 0.00 O ATOM 709 CB PHE A 44 -4.341 11.773 3.040 1.00 0.00 C ATOM 710 CG PHE A 44 -4.326 10.369 2.452 1.00 0.00 C ATOM 711 CD1 PHE A 44 -3.509 10.095 1.340 1.00 0.00 C ATOM 712 CD2 PHE A 44 -5.074 9.325 3.030 1.00 0.00 C ATOM 713 CE1 PHE A 44 -3.477 8.813 0.769 1.00 0.00 C ATOM 714 CE2 PHE A 44 -5.020 8.031 2.477 1.00 0.00 C ATOM 715 CZ PHE A 44 -4.233 7.776 1.340 1.00 0.00 C ATOM 0 H PHE A 44 -7.154 11.811 2.147 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.039 13.760 2.797 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.334 12.184 2.964 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.574 11.694 4.102 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.899 10.881 0.920 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.689 9.517 3.897 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.873 8.625 -0.106 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.586 7.230 2.929 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.210 6.787 0.907 1.00 0.00 H new ATOM 725 N MET A 45 -4.167 13.464 0.343 1.00 0.00 N ATOM 726 CA MET A 45 -4.004 13.622 -1.102 1.00 0.00 C ATOM 727 C MET A 45 -3.156 12.471 -1.644 1.00 0.00 C ATOM 728 O MET A 45 -2.179 12.078 -1.004 1.00 0.00 O ATOM 729 CB MET A 45 -3.316 14.972 -1.352 1.00 0.00 C ATOM 730 CG MET A 45 -3.188 15.301 -2.839 1.00 0.00 C ATOM 731 SD MET A 45 -2.230 16.802 -3.158 1.00 0.00 S ATOM 732 CE MET A 45 -2.273 16.740 -4.962 1.00 0.00 C ATOM 0 H MET A 45 -3.410 13.872 0.892 1.00 0.00 H new ATOM 0 HA MET A 45 -4.968 13.602 -1.611 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.882 15.761 -0.857 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.324 14.959 -0.900 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.717 14.462 -3.351 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.184 15.416 -3.266 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.628 17.519 -5.368 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.923 15.765 -5.301 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.295 16.899 -5.307 1.00 0.00 H new ATOM 742 N GLY A 46 -3.451 11.970 -2.844 1.00 0.00 N ATOM 743 CA GLY A 46 -2.596 10.999 -3.500 1.00 0.00 C ATOM 744 C GLY A 46 -2.715 11.056 -5.012 1.00 0.00 C ATOM 745 O GLY A 46 -3.544 11.777 -5.566 1.00 0.00 O ATOM 0 H GLY A 46 -4.281 12.227 -3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.560 11.177 -3.212 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.855 9.998 -3.155 1.00 0.00 H new ATOM 749 N LYS A 47 -1.846 10.311 -5.686 1.00 0.00 N ATOM 750 CA LYS A 47 -1.957 10.063 -7.114 1.00 0.00 C ATOM 751 C LYS A 47 -2.610 8.695 -7.261 1.00 0.00 C ATOM 752 O LYS A 47 -2.129 7.712 -6.691 1.00 0.00 O ATOM 753 CB LYS A 47 -0.572 10.074 -7.794 1.00 0.00 C ATOM 754 CG LYS A 47 -0.683 10.289 -9.316 1.00 0.00 C ATOM 755 CD LYS A 47 -0.946 11.760 -9.699 1.00 0.00 C ATOM 756 CE LYS A 47 0.303 12.649 -9.588 1.00 0.00 C ATOM 757 NZ LYS A 47 1.222 12.505 -10.746 1.00 0.00 N ATOM 0 H LYS A 47 -1.040 9.860 -5.252 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.547 10.843 -7.596 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.040 10.864 -7.359 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.063 9.131 -7.596 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.238 9.954 -9.793 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.489 9.668 -9.707 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.323 11.800 -10.721 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.728 12.162 -9.055 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.006 13.691 -9.503 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.839 12.400 -8.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.185 12.777 -10.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.223 11.516 -11.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.903 13.121 -11.521 1.00 0.00 H new ATOM 771 N TRP A 48 -3.706 8.629 -8.008 1.00 0.00 N ATOM 772 CA TRP A 48 -4.304 7.378 -8.427 1.00 0.00 C ATOM 773 C TRP A 48 -3.479 6.959 -9.639 1.00 0.00 C ATOM 774 O TRP A 48 -3.620 7.521 -10.726 1.00 0.00 O ATOM 775 CB TRP A 48 -5.792 7.581 -8.750 1.00 0.00 C ATOM 776 CG TRP A 48 -6.580 6.357 -9.117 1.00 0.00 C ATOM 777 CD1 TRP A 48 -6.116 5.089 -9.156 1.00 0.00 C ATOM 778 CD2 TRP A 48 -7.997 6.260 -9.466 1.00 0.00 C ATOM 779 NE1 TRP A 48 -7.120 4.225 -9.522 1.00 0.00 N ATOM 780 CE2 TRP A 48 -8.313 4.890 -9.716 1.00 0.00 C ATOM 781 CE3 TRP A 48 -9.054 7.190 -9.574 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -9.610 4.468 -10.046 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -10.362 6.777 -9.893 1.00 0.00 C ATOM 784 CH2 TRP A 48 -10.641 5.419 -10.129 1.00 0.00 C ATOM 0 H TRP A 48 -4.206 9.454 -8.340 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.288 6.605 -7.659 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.267 8.044 -7.885 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.867 8.292 -9.573 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.101 4.796 -8.932 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.998 3.219 -9.636 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.855 8.239 -9.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -9.813 3.424 -10.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -11.155 7.507 -9.957 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.646 5.108 -10.374 1.00 0.00 H new ATOM 795 N LYS A 49 -2.561 6.021 -9.430 1.00 0.00 N ATOM 796 CA LYS A 49 -1.696 5.416 -10.433 1.00 0.00 C ATOM 797 C LYS A 49 -2.469 4.227 -11.011 1.00 0.00 C ATOM 798 O LYS A 49 -2.151 3.064 -10.755 1.00 0.00 O ATOM 799 CB LYS A 49 -0.377 5.002 -9.754 1.00 0.00 C ATOM 800 CG LYS A 49 0.457 6.222 -9.325 1.00 0.00 C ATOM 801 CD LYS A 49 1.693 5.848 -8.494 1.00 0.00 C ATOM 802 CE LYS A 49 2.686 4.980 -9.280 1.00 0.00 C ATOM 803 NZ LYS A 49 3.927 4.704 -8.511 1.00 0.00 N ATOM 0 H LYS A 49 -2.392 5.641 -8.499 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.435 6.095 -11.244 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.596 4.387 -8.881 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.206 4.387 -10.439 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.776 6.767 -10.214 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.172 6.898 -8.745 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.193 6.758 -8.162 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.377 5.313 -7.598 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.209 4.037 -9.546 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.944 5.481 -10.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.566 4.115 -9.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.398 5.601 -8.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.687 4.202 -7.633 1.00 0.00 H new ATOM 817 N LYS A 50 -3.569 4.540 -11.692 1.00 0.00 N ATOM 818 CA LYS A 50 -4.490 3.562 -12.250 1.00 0.00 C ATOM 819 C LYS A 50 -3.723 2.694 -13.245 1.00 0.00 C ATOM 820 O LYS A 50 -3.080 3.234 -14.145 1.00 0.00 O ATOM 821 CB LYS A 50 -5.655 4.316 -12.916 1.00 0.00 C ATOM 822 CG LYS A 50 -6.654 3.410 -13.650 1.00 0.00 C ATOM 823 CD LYS A 50 -7.460 2.475 -12.735 1.00 0.00 C ATOM 824 CE LYS A 50 -8.458 1.630 -13.545 1.00 0.00 C ATOM 825 NZ LYS A 50 -7.816 0.507 -14.277 1.00 0.00 N ATOM 0 H LYS A 50 -3.848 5.504 -11.873 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.905 2.911 -11.481 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.189 4.883 -12.154 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.248 5.038 -13.624 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.348 4.036 -14.211 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.111 2.806 -14.377 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.780 1.819 -12.192 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.997 3.064 -11.991 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.216 1.230 -12.871 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.973 2.273 -14.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.540 -0.024 -14.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.112 0.884 -14.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.347 -0.126 -13.599 1.00 0.00 H new ATOM 976 N GLU A 59 -1.538 5.009 -15.744 1.00 0.00 N ATOM 977 CA GLU A 59 -2.147 6.296 -16.030 1.00 0.00 C ATOM 978 C GLU A 59 -2.250 6.979 -14.661 1.00 0.00 C ATOM 979 O GLU A 59 -2.367 6.304 -13.634 1.00 0.00 O ATOM 980 CB GLU A 59 -3.552 6.099 -16.636 1.00 0.00 C ATOM 981 CG GLU A 59 -3.557 5.745 -18.130 1.00 0.00 C ATOM 982 CD GLU A 59 -3.255 6.965 -19.019 1.00 0.00 C ATOM 983 OE1 GLU A 59 -2.070 7.242 -19.314 1.00 0.00 O ATOM 984 OE2 GLU A 59 -4.206 7.656 -19.451 1.00 0.00 O ATOM 0 HA GLU A 59 -1.572 6.881 -16.748 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.063 5.309 -16.087 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.128 7.013 -16.490 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.817 4.968 -18.320 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.529 5.333 -18.400 1.00 0.00 H new ATOM 991 N GLU A 60 -2.210 8.309 -14.614 1.00 0.00 N ATOM 992 CA GLU A 60 -2.112 9.045 -13.358 1.00 0.00 C ATOM 993 C GLU A 60 -3.211 10.099 -13.291 1.00 0.00 C ATOM 994 O GLU A 60 -3.383 10.883 -14.230 1.00 0.00 O ATOM 995 CB GLU A 60 -0.725 9.693 -13.237 1.00 0.00 C ATOM 996 CG GLU A 60 0.383 8.654 -13.027 1.00 0.00 C ATOM 997 CD GLU A 60 1.756 9.321 -12.836 1.00 0.00 C ATOM 998 OE1 GLU A 60 1.933 10.081 -11.857 1.00 0.00 O ATOM 999 OE2 GLU A 60 2.670 9.088 -13.661 1.00 0.00 O ATOM 0 H GLU A 60 -2.244 8.903 -15.442 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.242 8.356 -12.523 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.515 10.269 -14.138 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.725 10.395 -12.403 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.150 8.044 -12.154 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.420 7.983 -13.885 1.00 0.00 H new ATOM 1006 N LYS A 61 -3.926 10.143 -12.163 1.00 0.00 N ATOM 1007 CA LYS A 61 -4.910 11.178 -11.850 1.00 0.00 C ATOM 1008 C LYS A 61 -4.620 11.668 -10.441 1.00 0.00 C ATOM 1009 O LYS A 61 -4.295 10.862 -9.570 1.00 0.00 O ATOM 1010 CB LYS A 61 -6.336 10.606 -11.933 1.00 0.00 C ATOM 1011 CG LYS A 61 -6.753 10.272 -13.374 1.00 0.00 C ATOM 1012 CD LYS A 61 -8.163 9.669 -13.463 1.00 0.00 C ATOM 1013 CE LYS A 61 -8.227 8.259 -12.852 1.00 0.00 C ATOM 1014 NZ LYS A 61 -9.566 7.636 -13.017 1.00 0.00 N ATOM 0 H LYS A 61 -3.833 9.443 -11.427 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.842 11.999 -12.564 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.399 9.706 -11.322 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.038 11.326 -11.513 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.712 11.178 -13.978 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.036 9.571 -13.801 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.869 10.320 -12.947 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.474 9.626 -14.507 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.474 7.627 -13.322 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.981 8.313 -11.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.915 7.314 -12.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.227 8.334 -13.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.494 6.823 -13.662 1.00 0.00 H new ATOM 1028 N THR A 62 -4.723 12.966 -10.201 1.00 0.00 N ATOM 1029 CA THR A 62 -4.456 13.544 -8.891 1.00 0.00 C ATOM 1030 C THR A 62 -5.770 13.516 -8.109 1.00 0.00 C ATOM 1031 O THR A 62 -6.788 14.014 -8.599 1.00 0.00 O ATOM 1032 CB THR A 62 -3.880 14.954 -9.088 1.00 0.00 C ATOM 1033 OG1 THR A 62 -2.833 14.909 -10.045 1.00 0.00 O ATOM 1034 CG2 THR A 62 -3.300 15.487 -7.782 1.00 0.00 C ATOM 0 H THR A 62 -4.994 13.649 -10.908 1.00 0.00 H new ATOM 0 HA THR A 62 -3.715 12.986 -8.318 1.00 0.00 H new ATOM 0 HB THR A 62 -4.686 15.606 -9.425 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.467 15.809 -10.172 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.897 16.487 -7.944 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.084 15.530 -7.026 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.503 14.826 -7.441 1.00 0.00 H new ATOM 1042 N VAL A 63 -5.777 12.937 -6.907 1.00 0.00 N ATOM 1043 CA VAL A 63 -7.005 12.657 -6.183 1.00 0.00 C ATOM 1044 C VAL A 63 -6.884 13.017 -4.707 1.00 0.00 C ATOM 1045 O VAL A 63 -5.803 13.034 -4.116 1.00 0.00 O ATOM 1046 CB VAL A 63 -7.411 11.170 -6.337 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -7.748 10.786 -7.786 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -6.358 10.180 -5.820 1.00 0.00 C ATOM 0 H VAL A 63 -4.931 12.652 -6.414 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.785 13.282 -6.619 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.303 11.090 -5.716 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.025 9.733 -7.828 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.581 11.394 -8.139 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.878 10.958 -8.420 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.716 9.160 -5.963 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.427 10.318 -6.370 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.182 10.357 -4.759 1.00 0.00 H new ATOM 1058 N GLU A 64 -8.034 13.292 -4.113 1.00 0.00 N ATOM 1059 CA GLU A 64 -8.204 13.426 -2.679 1.00 0.00 C ATOM 1060 C GLU A 64 -8.804 12.086 -2.262 1.00 0.00 C ATOM 1061 O GLU A 64 -9.840 11.683 -2.788 1.00 0.00 O ATOM 1062 CB GLU A 64 -9.110 14.622 -2.347 1.00 0.00 C ATOM 1063 CG GLU A 64 -9.244 14.796 -0.827 1.00 0.00 C ATOM 1064 CD GLU A 64 -9.998 16.088 -0.466 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -11.248 16.080 -0.418 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -9.342 17.122 -0.202 1.00 0.00 O ATOM 0 H GLU A 64 -8.900 13.432 -4.633 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.277 13.632 -2.144 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.698 15.530 -2.787 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.095 14.472 -2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.770 13.938 -0.408 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.253 14.815 -0.374 1.00 0.00 H new ATOM 1073 N VAL A 65 -8.118 11.356 -1.394 1.00 0.00 N ATOM 1074 CA VAL A 65 -8.526 10.056 -0.892 1.00 0.00 C ATOM 1075 C VAL A 65 -9.405 10.324 0.333 1.00 0.00 C ATOM 1076 O VAL A 65 -8.924 10.831 1.350 1.00 0.00 O ATOM 1077 CB VAL A 65 -7.285 9.190 -0.574 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -7.710 7.723 -0.454 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -6.184 9.280 -1.651 1.00 0.00 C ATOM 0 H VAL A 65 -7.227 11.667 -1.006 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.094 9.487 -1.628 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.871 9.573 0.359 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.838 7.109 -0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.442 7.621 0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.153 7.395 -1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.343 8.649 -1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.582 8.942 -2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.848 10.313 -1.742 1.00 0.00 H new ATOM 1089 N LEU A 66 -10.707 10.059 0.209 1.00 0.00 N ATOM 1090 CA LEU A 66 -11.712 10.450 1.195 1.00 0.00 C ATOM 1091 C LEU A 66 -11.729 9.513 2.404 1.00 0.00 C ATOM 1092 O LEU A 66 -12.023 9.968 3.510 1.00 0.00 O ATOM 1093 CB LEU A 66 -13.120 10.454 0.555 1.00 0.00 C ATOM 1094 CG LEU A 66 -13.561 11.755 -0.143 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -13.673 12.931 0.836 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -12.648 12.139 -1.307 1.00 0.00 C ATOM 0 H LEU A 66 -11.097 9.560 -0.591 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.446 11.451 1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.164 9.645 -0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.848 10.222 1.333 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.551 11.543 -0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -13.987 13.825 0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -14.408 12.695 1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.704 13.110 1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -13.006 13.063 -1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.632 12.285 -0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -12.653 11.343 -2.052 1.00 0.00 H new ATOM 1108 N GLY A 67 -11.460 8.221 2.212 1.00 0.00 N ATOM 1109 CA GLY A 67 -11.648 7.203 3.226 1.00 0.00 C ATOM 1110 C GLY A 67 -11.503 5.832 2.585 1.00 0.00 C ATOM 1111 O GLY A 67 -11.322 5.715 1.371 1.00 0.00 O ATOM 0 H GLY A 67 -11.100 7.855 1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.914 7.325 4.023 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.633 7.303 3.682 1.00 0.00 H new ATOM 1115 N MET A 68 -11.595 4.790 3.402 1.00 0.00 N ATOM 1116 CA MET A 68 -11.698 3.414 2.924 1.00 0.00 C ATOM 1117 C MET A 68 -13.034 3.244 2.197 1.00 0.00 C ATOM 1118 O MET A 68 -14.017 3.916 2.530 1.00 0.00 O ATOM 1119 CB MET A 68 -11.652 2.429 4.105 1.00 0.00 C ATOM 1120 CG MET A 68 -10.356 2.461 4.924 1.00 0.00 C ATOM 1121 SD MET A 68 -8.923 1.621 4.197 1.00 0.00 S ATOM 1122 CE MET A 68 -9.355 -0.092 4.613 1.00 0.00 C ATOM 0 H MET A 68 -11.600 4.874 4.419 1.00 0.00 H new ATOM 0 HA MET A 68 -10.863 3.208 2.254 1.00 0.00 H new ATOM 0 HB2 MET A 68 -12.489 2.642 4.769 1.00 0.00 H new ATOM 0 HB3 MET A 68 -11.798 1.419 3.722 1.00 0.00 H new ATOM 0 HG2 MET A 68 -10.088 3.503 5.100 1.00 0.00 H new ATOM 0 HG3 MET A 68 -10.556 2.014 5.898 1.00 0.00 H new ATOM 0 HE1 MET A 68 -8.525 -0.750 4.354 1.00 0.00 H new ATOM 0 HE2 MET A 68 -9.557 -0.167 5.681 1.00 0.00 H new ATOM 0 HE3 MET A 68 -10.242 -0.390 4.054 1.00 0.00 H new ATOM 1132 N ALA A 69 -13.086 2.333 1.224 1.00 0.00 N ATOM 1133 CA ALA A 69 -14.358 1.930 0.627 1.00 0.00 C ATOM 1134 C ALA A 69 -15.128 1.067 1.650 1.00 0.00 C ATOM 1135 O ALA A 69 -14.532 0.647 2.648 1.00 0.00 O ATOM 1136 CB ALA A 69 -14.099 1.177 -0.680 1.00 0.00 C ATOM 0 H ALA A 69 -12.268 1.864 0.836 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.966 2.801 0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -15.049 0.878 -1.122 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.564 1.826 -1.374 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.499 0.290 -0.476 1.00 0.00 H new ATOM 1142 N PRO A 70 -16.424 0.773 1.441 1.00 0.00 N ATOM 1143 CA PRO A 70 -17.181 -0.112 2.322 1.00 0.00 C ATOM 1144 C PRO A 70 -16.460 -1.438 2.580 1.00 0.00 C ATOM 1145 O PRO A 70 -15.785 -1.972 1.697 1.00 0.00 O ATOM 1146 CB PRO A 70 -18.526 -0.336 1.623 1.00 0.00 C ATOM 1147 CG PRO A 70 -18.705 0.936 0.799 1.00 0.00 C ATOM 1148 CD PRO A 70 -17.276 1.263 0.368 1.00 0.00 C ATOM 0 HA PRO A 70 -17.304 0.337 3.307 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -18.509 -1.225 0.993 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -19.336 -0.469 2.340 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -19.359 0.774 -0.058 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -19.144 1.741 1.388 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -17.032 0.781 -0.578 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -17.146 2.335 0.222 1.00 0.00 H new ATOM 1156 N ASP A 71 -16.659 -2.020 3.763 1.00 0.00 N ATOM 1157 CA ASP A 71 -16.181 -3.369 4.082 1.00 0.00 C ATOM 1158 C ASP A 71 -16.810 -4.416 3.159 1.00 0.00 C ATOM 1159 O ASP A 71 -16.196 -5.444 2.890 1.00 0.00 O ATOM 1160 CB ASP A 71 -16.439 -3.722 5.554 1.00 0.00 C ATOM 1161 CG ASP A 71 -17.886 -4.174 5.821 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -18.797 -3.316 5.812 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -18.115 -5.377 6.075 1.00 0.00 O ATOM 0 H ASP A 71 -17.157 -1.569 4.530 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.104 -3.376 3.917 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.755 -4.515 5.857 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.215 -2.854 6.174 1.00 0.00 H new ATOM 1168 N ASP A 72 -17.994 -4.121 2.611 1.00 0.00 N ATOM 1169 CA ASP A 72 -18.678 -4.958 1.625 1.00 0.00 C ATOM 1170 C ASP A 72 -17.864 -5.091 0.337 1.00 0.00 C ATOM 1171 O ASP A 72 -17.962 -6.104 -0.356 1.00 0.00 O ATOM 1172 CB ASP A 72 -20.057 -4.368 1.312 1.00 0.00 C ATOM 1173 CG ASP A 72 -20.805 -5.213 0.266 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -21.264 -6.328 0.600 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -20.986 -4.743 -0.879 1.00 0.00 O ATOM 0 H ASP A 72 -18.513 -3.275 2.847 1.00 0.00 H new ATOM 0 HA ASP A 72 -18.792 -5.955 2.052 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -20.647 -4.313 2.227 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -19.943 -3.348 0.944 1.00 0.00 H new ATOM 1180 N GLU A 73 -17.022 -4.100 0.033 1.00 0.00 N ATOM 1181 CA GLU A 73 -16.064 -4.170 -1.057 1.00 0.00 C ATOM 1182 C GLU A 73 -14.712 -4.623 -0.530 1.00 0.00 C ATOM 1183 O GLU A 73 -14.105 -5.510 -1.137 1.00 0.00 O ATOM 1184 CB GLU A 73 -15.966 -2.821 -1.787 1.00 0.00 C ATOM 1185 CG GLU A 73 -17.161 -2.589 -2.724 1.00 0.00 C ATOM 1186 CD GLU A 73 -17.085 -3.439 -4.011 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -17.281 -4.676 -3.954 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -16.844 -2.867 -5.099 1.00 0.00 O ATOM 0 H GLU A 73 -16.991 -3.219 0.547 1.00 0.00 H new ATOM 0 HA GLU A 73 -16.408 -4.905 -1.785 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.917 -2.015 -1.055 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -15.041 -2.786 -2.363 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -18.084 -2.823 -2.193 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -17.207 -1.534 -2.993 1.00 0.00 H new ATOM 1195 N CYS A 74 -14.233 -4.108 0.612 1.00 0.00 N ATOM 1196 CA CYS A 74 -12.862 -4.394 0.992 1.00 0.00 C ATOM 1197 C CYS A 74 -12.647 -5.799 1.577 1.00 0.00 C ATOM 1198 O CYS A 74 -11.565 -6.111 2.066 1.00 0.00 O ATOM 1199 CB CYS A 74 -12.354 -3.315 1.919 1.00 0.00 C ATOM 1200 SG CYS A 74 -12.430 -1.680 1.139 1.00 0.00 S ATOM 0 H CYS A 74 -14.757 -3.517 1.258 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.275 -4.391 0.074 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.947 -3.311 2.834 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -11.326 -3.535 2.206 1.00 0.00 H new ATOM 0 HG CYS A 74 -13.250 -0.920 1.803 1.00 0.00 H new ATOM 1206 N LEU A 75 -13.673 -6.648 1.529 1.00 0.00 N ATOM 1207 CA LEU A 75 -13.614 -8.076 1.829 1.00 0.00 C ATOM 1208 C LEU A 75 -12.793 -8.825 0.772 1.00 0.00 C ATOM 1209 O LEU A 75 -12.370 -9.956 1.007 1.00 0.00 O ATOM 1210 CB LEU A 75 -15.050 -8.641 1.854 1.00 0.00 C ATOM 1211 CG LEU A 75 -15.643 -8.715 3.272 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -17.164 -8.872 3.192 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -15.049 -9.896 4.050 1.00 0.00 C ATOM 0 H LEU A 75 -14.611 -6.344 1.268 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.134 -8.212 2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -15.691 -8.017 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.050 -9.638 1.414 1.00 0.00 H new ATOM 0 HG LEU A 75 -15.396 -7.791 3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -17.578 -8.924 4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -17.591 -8.017 2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.407 -9.787 2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.483 -9.928 5.049 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.273 -10.826 3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.969 -9.774 4.127 1.00 0.00 H new ATOM 1225 N LYS A 76 -12.599 -8.213 -0.400 1.00 0.00 N ATOM 1226 CA LYS A 76 -12.030 -8.846 -1.588 1.00 0.00 C ATOM 1227 C LYS A 76 -10.637 -8.300 -1.885 1.00 0.00 C ATOM 1228 O LYS A 76 -9.788 -9.051 -2.362 1.00 0.00 O ATOM 1229 CB LYS A 76 -12.981 -8.598 -2.774 1.00 0.00 C ATOM 1230 CG LYS A 76 -14.245 -9.476 -2.697 1.00 0.00 C ATOM 1231 CD LYS A 76 -15.481 -8.834 -3.349 1.00 0.00 C ATOM 1232 CE LYS A 76 -16.110 -7.823 -2.379 1.00 0.00 C ATOM 1233 NZ LYS A 76 -17.375 -7.227 -2.873 1.00 0.00 N ATOM 0 H LYS A 76 -12.842 -7.234 -0.550 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.925 -9.917 -1.417 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.271 -7.547 -2.792 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.456 -8.800 -3.708 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.044 -10.431 -3.182 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.466 -9.690 -1.651 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -15.198 -8.336 -4.276 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -16.208 -9.603 -3.610 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -16.300 -8.317 -1.426 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.394 -7.024 -2.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -17.964 -6.942 -2.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.161 -6.393 -3.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.888 -7.927 -3.445 1.00 0.00 H new ATOM 1247 N ASP A 77 -10.391 -7.021 -1.598 1.00 0.00 N ATOM 1248 CA ASP A 77 -9.113 -6.334 -1.828 1.00 0.00 C ATOM 1249 C ASP A 77 -9.159 -5.011 -1.056 1.00 0.00 C ATOM 1250 O ASP A 77 -10.240 -4.623 -0.628 1.00 0.00 O ATOM 1251 CB ASP A 77 -8.919 -6.064 -3.331 1.00 0.00 C ATOM 1252 CG ASP A 77 -7.519 -5.538 -3.677 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -6.594 -5.701 -2.851 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -7.340 -5.018 -4.800 1.00 0.00 O ATOM 0 H ASP A 77 -11.097 -6.412 -1.185 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.280 -6.949 -1.488 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.101 -6.985 -3.885 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.664 -5.340 -3.662 1.00 0.00 H new ATOM 1259 N MET A 78 -8.055 -4.294 -0.849 1.00 0.00 N ATOM 1260 CA MET A 78 -8.121 -2.984 -0.196 1.00 0.00 C ATOM 1261 C MET A 78 -8.543 -1.932 -1.224 1.00 0.00 C ATOM 1262 O MET A 78 -7.913 -1.804 -2.278 1.00 0.00 O ATOM 1263 CB MET A 78 -6.777 -2.612 0.443 1.00 0.00 C ATOM 1264 CG MET A 78 -6.431 -3.472 1.664 1.00 0.00 C ATOM 1265 SD MET A 78 -7.559 -3.339 3.087 1.00 0.00 S ATOM 1266 CE MET A 78 -8.539 -4.857 2.888 1.00 0.00 C ATOM 0 H MET A 78 -7.117 -4.591 -1.119 1.00 0.00 H new ATOM 0 HA MET A 78 -8.859 -3.025 0.605 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.987 -2.715 -0.301 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.801 -1.564 0.740 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.397 -4.515 1.350 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.427 -3.207 1.996 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.459 -4.774 3.466 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.783 -4.997 1.835 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.963 -5.711 3.244 1.00 0.00 H new ATOM 1276 N TYR A 79 -9.563 -1.133 -0.897 1.00 0.00 N ATOM 1277 CA TYR A 79 -10.080 -0.071 -1.753 1.00 0.00 C ATOM 1278 C TYR A 79 -10.318 1.193 -0.925 1.00 0.00 C ATOM 1279 O TYR A 79 -10.511 1.134 0.292 1.00 0.00 O ATOM 1280 CB TYR A 79 -11.405 -0.491 -2.411 1.00 0.00 C ATOM 1281 CG TYR A 79 -11.417 -1.725 -3.292 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -11.061 -1.635 -4.652 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -11.912 -2.939 -2.781 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -11.207 -2.751 -5.495 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -12.063 -4.059 -3.616 1.00 0.00 C ATOM 1286 CZ TYR A 79 -11.710 -3.969 -4.982 1.00 0.00 C ATOM 1287 OH TYR A 79 -11.853 -5.040 -5.814 1.00 0.00 O ATOM 0 H TYR A 79 -10.060 -1.211 -0.010 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.343 0.123 -2.532 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -12.136 -0.644 -1.617 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.757 0.348 -3.011 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.675 -0.707 -5.048 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.178 -3.011 -1.737 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.934 -2.678 -6.537 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -12.447 -4.985 -3.216 1.00 0.00 H new ATOM 0 HH TYR A 79 -12.209 -5.801 -5.309 1.00 0.00 H new ATOM 1297 N VAL A 80 -10.350 2.337 -1.604 1.00 0.00 N ATOM 1298 CA VAL A 80 -10.470 3.657 -1.010 1.00 0.00 C ATOM 1299 C VAL A 80 -11.367 4.501 -1.907 1.00 0.00 C ATOM 1300 O VAL A 80 -11.349 4.359 -3.132 1.00 0.00 O ATOM 1301 CB VAL A 80 -9.080 4.306 -0.820 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -8.369 3.756 0.423 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -8.145 4.151 -2.034 1.00 0.00 C ATOM 0 H VAL A 80 -10.290 2.366 -2.622 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.916 3.583 -0.018 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.287 5.369 -0.698 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.395 4.234 0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.971 3.964 1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.236 2.679 0.319 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.190 4.633 -1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.981 3.092 -2.234 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.601 4.618 -2.907 1.00 0.00 H new ATOM 1313 N GLU A 81 -12.166 5.368 -1.298 1.00 0.00 N ATOM 1314 CA GLU A 81 -12.944 6.364 -2.014 1.00 0.00 C ATOM 1315 C GLU A 81 -11.995 7.497 -2.408 1.00 0.00 C ATOM 1316 O GLU A 81 -11.162 7.914 -1.600 1.00 0.00 O ATOM 1317 CB GLU A 81 -14.082 6.893 -1.129 1.00 0.00 C ATOM 1318 CG GLU A 81 -15.125 5.810 -0.817 1.00 0.00 C ATOM 1319 CD GLU A 81 -16.356 6.397 -0.103 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -16.260 6.782 1.084 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -17.443 6.464 -0.720 1.00 0.00 O ATOM 0 H GLU A 81 -12.291 5.398 -0.286 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.398 5.926 -2.903 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.667 7.275 -0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -14.569 7.731 -1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -15.437 5.327 -1.743 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.674 5.039 -0.192 1.00 0.00 H new ATOM 1328 N VAL A 82 -12.124 8.014 -3.629 1.00 0.00 N ATOM 1329 CA VAL A 82 -11.235 9.040 -4.172 1.00 0.00 C ATOM 1330 C VAL A 82 -12.048 10.059 -4.965 1.00 0.00 C ATOM 1331 O VAL A 82 -12.989 9.681 -5.656 1.00 0.00 O ATOM 1332 CB VAL A 82 -10.138 8.406 -5.056 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -9.099 7.648 -4.226 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -10.673 7.478 -6.156 1.00 0.00 C ATOM 0 H VAL A 82 -12.858 7.728 -4.277 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.741 9.550 -3.345 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.669 9.258 -5.548 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.347 7.219 -4.888 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.619 8.335 -3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.590 6.850 -3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.838 7.075 -6.730 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.230 6.659 -5.702 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.331 8.040 -6.818 1.00 0.00 H new ATOM 1344 N ALA A 83 -11.680 11.337 -4.914 1.00 0.00 N ATOM 1345 CA ALA A 83 -12.301 12.398 -5.694 1.00 0.00 C ATOM 1346 C ALA A 83 -11.223 13.015 -6.572 1.00 0.00 C ATOM 1347 O ALA A 83 -10.133 13.319 -6.086 1.00 0.00 O ATOM 1348 CB ALA A 83 -12.917 13.442 -4.759 1.00 0.00 C ATOM 0 H ALA A 83 -10.924 11.668 -4.315 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.104 12.005 -6.318 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.379 14.232 -5.350 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.673 12.968 -4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.138 13.870 -4.128 1.00 0.00 H new ATOM 1354 N ASP A 84 -11.507 13.167 -7.865 1.00 0.00 N ATOM 1355 CA ASP A 84 -10.546 13.693 -8.831 1.00 0.00 C ATOM 1356 C ASP A 84 -10.372 15.195 -8.646 1.00 0.00 C ATOM 1357 O ASP A 84 -11.271 15.972 -8.970 1.00 0.00 O ATOM 1358 CB ASP A 84 -10.985 13.382 -10.266 1.00 0.00 C ATOM 1359 CG ASP A 84 -10.124 14.158 -11.272 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -8.881 14.044 -11.211 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -10.693 14.897 -12.104 1.00 0.00 O ATOM 0 H ASP A 84 -12.411 12.928 -8.272 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.588 13.205 -8.654 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.900 12.312 -10.455 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -12.034 13.646 -10.397 1.00 0.00 H new ATOM 1366 N ILE A 85 -9.211 15.609 -8.140 1.00 0.00 N ATOM 1367 CA ILE A 85 -8.862 17.017 -7.976 1.00 0.00 C ATOM 1368 C ILE A 85 -8.653 17.649 -9.368 1.00 0.00 C ATOM 1369 O ILE A 85 -8.850 18.854 -9.530 1.00 0.00 O ATOM 1370 CB ILE A 85 -7.616 17.162 -7.061 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -7.782 16.415 -5.713 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -7.309 18.639 -6.753 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -6.524 16.412 -4.831 1.00 0.00 C ATOM 0 H ILE A 85 -8.480 14.969 -7.830 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.673 17.553 -7.483 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.792 16.716 -7.618 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.600 16.872 -5.156 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.071 15.384 -5.916 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.431 18.702 -6.110 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.116 19.172 -7.684 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.162 19.090 -6.246 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.728 15.869 -3.908 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.707 15.927 -5.365 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.244 17.438 -4.593 1.00 0.00 H new ATOM 1457 N VAL A 92 -17.130 11.658 -6.507 1.00 0.00 N ATOM 1458 CA VAL A 92 -16.247 10.659 -5.908 1.00 0.00 C ATOM 1459 C VAL A 92 -16.394 9.315 -6.645 1.00 0.00 C ATOM 1460 O VAL A 92 -17.457 8.992 -7.184 1.00 0.00 O ATOM 1461 CB VAL A 92 -16.569 10.541 -4.390 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -15.430 9.901 -3.583 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -16.880 11.885 -3.696 1.00 0.00 C ATOM 0 HA VAL A 92 -15.205 10.964 -6.008 1.00 0.00 H new ATOM 0 HB VAL A 92 -17.458 9.911 -4.389 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -15.715 9.847 -2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -15.237 8.896 -3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -14.528 10.505 -3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -17.093 11.709 -2.641 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -16.020 12.549 -3.787 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -17.747 12.347 -4.169 1.00 0.00 H new ATOM 1473 N TYR A 93 -15.318 8.532 -6.627 1.00 0.00 N ATOM 1474 CA TYR A 93 -15.163 7.200 -7.194 1.00 0.00 C ATOM 1475 C TYR A 93 -14.569 6.275 -6.117 1.00 0.00 C ATOM 1476 O TYR A 93 -14.346 6.689 -4.977 1.00 0.00 O ATOM 1477 CB TYR A 93 -14.199 7.243 -8.397 1.00 0.00 C ATOM 1478 CG TYR A 93 -14.438 8.281 -9.475 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -15.464 8.092 -10.421 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -13.549 9.366 -9.609 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -15.577 8.961 -11.521 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -13.648 10.230 -10.713 1.00 0.00 C ATOM 1483 CZ TYR A 93 -14.652 10.016 -11.685 1.00 0.00 C ATOM 1484 OH TYR A 93 -14.721 10.803 -12.796 1.00 0.00 O ATOM 0 H TYR A 93 -14.458 8.843 -6.175 1.00 0.00 H new ATOM 0 HA TYR A 93 -16.134 6.833 -7.526 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.191 7.393 -8.010 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -14.216 6.262 -8.871 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -16.165 7.279 -10.302 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.789 9.534 -8.861 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -16.371 8.822 -12.240 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -12.959 11.055 -10.819 1.00 0.00 H new ATOM 0 HH TYR A 93 -14.017 11.483 -12.759 1.00 0.00 H new ATOM 1494 N THR A 94 -14.230 5.048 -6.508 1.00 0.00 N ATOM 1495 CA THR A 94 -13.488 4.095 -5.691 1.00 0.00 C ATOM 1496 C THR A 94 -12.281 3.620 -6.506 1.00 0.00 C ATOM 1497 O THR A 94 -12.383 3.430 -7.722 1.00 0.00 O ATOM 1498 CB THR A 94 -14.415 2.940 -5.264 1.00 0.00 C ATOM 1499 OG1 THR A 94 -15.636 3.434 -4.741 1.00 0.00 O ATOM 1500 CG2 THR A 94 -13.775 2.060 -4.190 1.00 0.00 C ATOM 0 H THR A 94 -14.472 4.681 -7.428 1.00 0.00 H new ATOM 0 HA THR A 94 -13.124 4.553 -4.771 1.00 0.00 H new ATOM 0 HB THR A 94 -14.594 2.349 -6.162 1.00 0.00 H new ATOM 0 HG1 THR A 94 -16.208 2.682 -4.479 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.463 1.259 -3.919 1.00 0.00 H new ATOM 0 HG22 THR A 94 -12.851 1.630 -4.575 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.555 2.663 -3.309 1.00 0.00 H new ATOM 1508 N ALA A 95 -11.149 3.431 -5.829 1.00 0.00 N ATOM 1509 CA ALA A 95 -9.886 2.981 -6.392 1.00 0.00 C ATOM 1510 C ALA A 95 -9.327 1.877 -5.500 1.00 0.00 C ATOM 1511 O ALA A 95 -9.643 1.814 -4.310 1.00 0.00 O ATOM 1512 CB ALA A 95 -8.908 4.161 -6.439 1.00 0.00 C ATOM 0 H ALA A 95 -11.090 3.597 -4.824 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.032 2.600 -7.403 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -7.959 3.830 -6.860 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.324 4.954 -7.060 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -8.745 4.539 -5.430 1.00 0.00 H new ATOM 1518 N LYS A 96 -8.479 1.009 -6.053 1.00 0.00 N ATOM 1519 CA LYS A 96 -7.724 0.061 -5.254 1.00 0.00 C ATOM 1520 C LYS A 96 -6.670 0.859 -4.505 1.00 0.00 C ATOM 1521 O LYS A 96 -6.018 1.720 -5.097 1.00 0.00 O ATOM 1522 CB LYS A 96 -7.033 -0.963 -6.165 1.00 0.00 C ATOM 1523 CG LYS A 96 -8.013 -1.922 -6.857 1.00 0.00 C ATOM 1524 CD LYS A 96 -7.295 -2.740 -7.939 1.00 0.00 C ATOM 1525 CE LYS A 96 -7.174 -1.946 -9.250 1.00 0.00 C ATOM 1526 NZ LYS A 96 -6.005 -2.362 -10.060 1.00 0.00 N ATOM 0 H LYS A 96 -8.302 0.948 -7.056 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.380 -0.477 -4.569 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.458 -0.433 -6.924 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.324 -1.543 -5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.455 -2.592 -6.120 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.830 -1.356 -7.304 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.302 -3.020 -7.588 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.841 -3.666 -8.121 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.083 -2.078 -9.836 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.094 -0.883 -9.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.112 -2.007 -11.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.136 -1.971 -9.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.945 -3.400 -10.075 1.00 0.00 H new ATOM 1540 N LEU A 97 -6.434 0.525 -3.240 1.00 0.00 N ATOM 1541 CA LEU A 97 -5.286 1.059 -2.506 1.00 0.00 C ATOM 1542 C LEU A 97 -3.997 0.645 -3.235 1.00 0.00 C ATOM 1543 O LEU A 97 -3.017 1.385 -3.242 1.00 0.00 O ATOM 1544 CB LEU A 97 -5.303 0.541 -1.058 1.00 0.00 C ATOM 1545 CG LEU A 97 -4.174 1.108 -0.171 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -4.257 2.634 -0.023 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -4.257 0.468 1.217 1.00 0.00 C ATOM 0 H LEU A 97 -7.020 -0.112 -2.700 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.334 2.147 -2.468 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.264 0.788 -0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.228 -0.546 -1.072 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.226 0.873 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.441 2.983 0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.179 3.100 -1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.210 2.904 0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.462 0.864 1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.224 0.696 1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.144 -0.612 1.127 1.00 0.00 H new ATOM 1559 N SER A 98 -4.032 -0.505 -3.915 1.00 0.00 N ATOM 1560 CA SER A 98 -2.965 -1.035 -4.756 1.00 0.00 C ATOM 1561 C SER A 98 -2.619 -0.130 -5.952 1.00 0.00 C ATOM 1562 O SER A 98 -1.551 -0.287 -6.544 1.00 0.00 O ATOM 1563 CB SER A 98 -3.415 -2.416 -5.248 1.00 0.00 C ATOM 1564 OG SER A 98 -3.909 -3.173 -4.154 1.00 0.00 O ATOM 0 H SER A 98 -4.847 -1.118 -3.890 1.00 0.00 H new ATOM 0 HA SER A 98 -2.053 -1.093 -4.162 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.189 -2.308 -6.008 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.579 -2.937 -5.716 1.00 0.00 H new ATOM 0 HG SER A 98 -3.294 -3.911 -3.963 1.00 0.00 H new ATOM 1570 N ASP A 99 -3.488 0.828 -6.292 1.00 0.00 N ATOM 1571 CA ASP A 99 -3.320 1.741 -7.422 1.00 0.00 C ATOM 1572 C ASP A 99 -3.174 3.172 -6.885 1.00 0.00 C ATOM 1573 O ASP A 99 -3.277 4.125 -7.646 1.00 0.00 O ATOM 1574 CB ASP A 99 -4.500 1.615 -8.415 1.00 0.00 C ATOM 1575 CG ASP A 99 -4.423 0.410 -9.367 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -4.100 -0.717 -8.926 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -4.798 0.564 -10.553 1.00 0.00 O ATOM 0 H ASP A 99 -4.351 0.992 -5.773 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.418 1.480 -7.976 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.428 1.551 -7.847 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.553 2.526 -9.010 1.00 0.00 H new ATOM 1582 N ILE A 100 -2.935 3.366 -5.586 1.00 0.00 N ATOM 1583 CA ILE A 100 -2.799 4.677 -4.959 1.00 0.00 C ATOM 1584 C ILE A 100 -1.403 4.800 -4.369 1.00 0.00 C ATOM 1585 O ILE A 100 -0.804 3.840 -3.880 1.00 0.00 O ATOM 1586 CB ILE A 100 -3.929 4.884 -3.916 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -5.206 5.314 -4.662 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -3.620 5.853 -2.752 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -5.351 6.808 -4.948 1.00 0.00 C ATOM 0 H ILE A 100 -2.829 2.595 -4.927 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.912 5.474 -5.694 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.052 3.924 -3.415 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.245 4.778 -5.611 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.068 4.992 -4.078 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.484 5.915 -2.091 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.760 5.486 -2.192 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.397 6.842 -3.152 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.287 6.988 -5.476 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.353 7.360 -4.008 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.517 7.143 -5.564 1.00 0.00 H new ATOM 1601 N GLU A 101 -0.923 6.034 -4.401 1.00 0.00 N ATOM 1602 CA GLU A 101 0.282 6.473 -3.718 1.00 0.00 C ATOM 1603 C GLU A 101 -0.034 7.849 -3.133 1.00 0.00 C ATOM 1604 O GLU A 101 -0.674 8.661 -3.800 1.00 0.00 O ATOM 1605 CB GLU A 101 1.461 6.500 -4.706 1.00 0.00 C ATOM 1606 CG GLU A 101 2.772 7.023 -4.098 1.00 0.00 C ATOM 1607 CD GLU A 101 3.252 6.212 -2.879 1.00 0.00 C ATOM 1608 OE1 GLU A 101 2.619 6.309 -1.802 1.00 0.00 O ATOM 1609 OE2 GLU A 101 4.278 5.502 -2.993 1.00 0.00 O ATOM 0 H GLU A 101 -1.379 6.783 -4.922 1.00 0.00 H new ATOM 0 HA GLU A 101 0.578 5.796 -2.916 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.626 5.492 -5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.193 7.124 -5.559 1.00 0.00 H new ATOM 0 HG2 GLU A 101 3.549 7.008 -4.863 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.636 8.063 -3.802 1.00 0.00 H new ATOM 1616 N ALA A 102 0.356 8.111 -1.887 1.00 0.00 N ATOM 1617 CA ALA A 102 0.078 9.393 -1.251 1.00 0.00 C ATOM 1618 C ALA A 102 1.035 10.475 -1.749 1.00 0.00 C ATOM 1619 O ALA A 102 2.146 10.199 -2.207 1.00 0.00 O ATOM 1620 CB ALA A 102 0.185 9.293 0.267 1.00 0.00 C ATOM 0 H ALA A 102 0.865 7.451 -1.299 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.943 9.665 -1.519 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.028 10.265 0.712 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.534 8.561 0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.193 8.982 0.541 1.00 0.00 H new ATOM 1626 N ILE A 103 0.608 11.723 -1.573 1.00 0.00 N ATOM 1627 CA ILE A 103 1.386 12.919 -1.856 1.00 0.00 C ATOM 1628 C ILE A 103 1.417 13.750 -0.570 1.00 0.00 C ATOM 1629 O ILE A 103 0.374 14.010 0.032 1.00 0.00 O ATOM 1630 CB ILE A 103 0.755 13.682 -3.047 1.00 0.00 C ATOM 1631 CG1 ILE A 103 0.728 12.836 -4.345 1.00 0.00 C ATOM 1632 CG2 ILE A 103 1.501 15.002 -3.315 1.00 0.00 C ATOM 1633 CD1 ILE A 103 -0.215 13.406 -5.412 1.00 0.00 C ATOM 0 H ILE A 103 -0.324 11.933 -1.216 1.00 0.00 H new ATOM 0 HA ILE A 103 2.409 12.683 -2.150 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.275 13.896 -2.761 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.737 12.776 -4.754 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.421 11.819 -4.103 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.037 15.518 -4.156 1.00 0.00 H new ATOM 0 HG22 ILE A 103 1.451 15.635 -2.429 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.544 14.789 -3.550 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.190 12.770 -6.297 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.231 13.441 -5.019 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.105 14.413 -5.680 1.00 0.00 H new ATOM 1645 N ASP A 104 2.624 14.190 -0.194 1.00 0.00 N ATOM 1646 CA ASP A 104 2.901 15.131 0.898 1.00 0.00 C ATOM 1647 C ASP A 104 2.181 14.774 2.210 1.00 0.00 C ATOM 1648 O ASP A 104 1.621 15.635 2.893 1.00 0.00 O ATOM 1649 CB ASP A 104 2.649 16.571 0.419 1.00 0.00 C ATOM 1650 CG ASP A 104 3.123 17.628 1.436 1.00 0.00 C ATOM 1651 OD1 ASP A 104 4.251 17.511 1.969 1.00 0.00 O ATOM 1652 OD2 ASP A 104 2.398 18.624 1.663 1.00 0.00 O ATOM 0 H ASP A 104 3.475 13.885 -0.666 1.00 0.00 H new ATOM 0 HA ASP A 104 3.956 15.050 1.159 1.00 0.00 H new ATOM 0 HB2 ASP A 104 3.163 16.729 -0.529 1.00 0.00 H new ATOM 0 HB3 ASP A 104 1.584 16.706 0.231 1.00 0.00 H new ATOM 1657 N VAL A 105 2.155 13.479 2.543 1.00 0.00 N ATOM 1658 CA VAL A 105 1.404 12.954 3.687 1.00 0.00 C ATOM 1659 C VAL A 105 2.333 12.643 4.874 1.00 0.00 C ATOM 1660 O VAL A 105 3.560 12.735 4.758 1.00 0.00 O ATOM 1661 CB VAL A 105 0.530 11.774 3.209 1.00 0.00 C ATOM 1662 CG1 VAL A 105 1.247 10.416 3.191 1.00 0.00 C ATOM 1663 CG2 VAL A 105 -0.776 11.697 4.000 1.00 0.00 C ATOM 0 H VAL A 105 2.658 12.761 2.022 1.00 0.00 H new ATOM 0 HA VAL A 105 0.722 13.707 4.082 1.00 0.00 H new ATOM 0 HB VAL A 105 0.301 11.992 2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.559 9.646 2.843 1.00 0.00 H new ATOM 0 HG12 VAL A 105 2.105 10.466 2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.587 10.171 4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.370 10.857 3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.553 11.558 5.058 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.338 12.622 3.866 1.00 0.00 H new ATOM 1673 N ASP A 106 1.747 12.302 6.028 1.00 0.00 N ATOM 1674 CA ASP A 106 2.487 11.927 7.233 1.00 0.00 C ATOM 1675 C ASP A 106 3.205 10.591 7.039 1.00 0.00 C ATOM 1676 O ASP A 106 2.856 9.786 6.176 1.00 0.00 O ATOM 1677 CB ASP A 106 1.546 11.807 8.438 1.00 0.00 C ATOM 1678 CG ASP A 106 2.304 11.740 9.771 1.00 0.00 C ATOM 1679 OD1 ASP A 106 2.725 12.801 10.284 1.00 0.00 O ATOM 1680 OD2 ASP A 106 2.505 10.620 10.289 1.00 0.00 O ATOM 0 H ASP A 106 0.735 12.279 6.150 1.00 0.00 H new ATOM 0 HA ASP A 106 3.220 12.712 7.419 1.00 0.00 H new ATOM 0 HB2 ASP A 106 0.868 12.660 8.452 1.00 0.00 H new ATOM 0 HB3 ASP A 106 0.932 10.913 8.328 1.00 0.00 H new ATOM 1685 N ASP A 107 4.172 10.327 7.906 1.00 0.00 N ATOM 1686 CA ASP A 107 4.952 9.096 7.902 1.00 0.00 C ATOM 1687 C ASP A 107 4.054 7.881 8.117 1.00 0.00 C ATOM 1688 O ASP A 107 4.246 6.868 7.449 1.00 0.00 O ATOM 1689 CB ASP A 107 6.026 9.156 8.991 1.00 0.00 C ATOM 1690 CG ASP A 107 6.829 7.846 9.050 1.00 0.00 C ATOM 1691 OD1 ASP A 107 7.683 7.620 8.164 1.00 0.00 O ATOM 1692 OD2 ASP A 107 6.657 7.070 10.017 1.00 0.00 O ATOM 0 H ASP A 107 4.442 10.974 8.646 1.00 0.00 H new ATOM 0 HA ASP A 107 5.432 8.996 6.929 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.700 9.990 8.796 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.558 9.343 9.958 1.00 0.00 H new ATOM 1697 N ASP A 108 3.053 7.977 8.999 1.00 0.00 N ATOM 1698 CA ASP A 108 2.217 6.826 9.339 1.00 0.00 C ATOM 1699 C ASP A 108 1.325 6.463 8.149 1.00 0.00 C ATOM 1700 O ASP A 108 1.300 5.309 7.719 1.00 0.00 O ATOM 1701 CB ASP A 108 1.382 7.114 10.602 1.00 0.00 C ATOM 1702 CG ASP A 108 1.229 5.908 11.545 1.00 0.00 C ATOM 1703 OD1 ASP A 108 2.147 5.062 11.638 1.00 0.00 O ATOM 1704 OD2 ASP A 108 0.215 5.849 12.276 1.00 0.00 O ATOM 0 H ASP A 108 2.805 8.837 9.487 1.00 0.00 H new ATOM 0 HA ASP A 108 2.858 5.972 9.560 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.845 7.934 11.151 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.391 7.453 10.299 1.00 0.00 H new ATOM 1709 N THR A 109 0.653 7.457 7.555 1.00 0.00 N ATOM 1710 CA THR A 109 -0.167 7.279 6.362 1.00 0.00 C ATOM 1711 C THR A 109 0.684 6.696 5.230 1.00 0.00 C ATOM 1712 O THR A 109 0.294 5.706 4.605 1.00 0.00 O ATOM 1713 CB THR A 109 -0.816 8.633 5.998 1.00 0.00 C ATOM 1714 OG1 THR A 109 -1.429 9.173 7.159 1.00 0.00 O ATOM 1715 CG2 THR A 109 -1.906 8.522 4.930 1.00 0.00 C ATOM 0 H THR A 109 0.667 8.418 7.898 1.00 0.00 H new ATOM 0 HA THR A 109 -0.972 6.567 6.543 1.00 0.00 H new ATOM 0 HB THR A 109 -0.016 9.261 5.605 1.00 0.00 H new ATOM 0 HG1 THR A 109 -1.843 10.034 6.940 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.317 9.511 4.725 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.479 8.110 4.016 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.700 7.866 5.287 1.00 0.00 H new ATOM 1723 N GLN A 110 1.874 7.258 5.001 1.00 0.00 N ATOM 1724 CA GLN A 110 2.745 6.804 3.935 1.00 0.00 C ATOM 1725 C GLN A 110 3.216 5.366 4.176 1.00 0.00 C ATOM 1726 O GLN A 110 3.308 4.603 3.213 1.00 0.00 O ATOM 1727 CB GLN A 110 3.913 7.787 3.788 1.00 0.00 C ATOM 1728 CG GLN A 110 4.817 7.483 2.591 1.00 0.00 C ATOM 1729 CD GLN A 110 4.088 7.496 1.247 1.00 0.00 C ATOM 1730 OE1 GLN A 110 3.990 8.530 0.592 1.00 0.00 O ATOM 1731 NE2 GLN A 110 3.579 6.356 0.809 1.00 0.00 N ATOM 0 H GLN A 110 2.250 8.032 5.548 1.00 0.00 H new ATOM 0 HA GLN A 110 2.193 6.786 2.995 1.00 0.00 H new ATOM 0 HB2 GLN A 110 3.517 8.798 3.687 1.00 0.00 H new ATOM 0 HB3 GLN A 110 4.511 7.768 4.699 1.00 0.00 H new ATOM 0 HG2 GLN A 110 5.625 8.215 2.563 1.00 0.00 H new ATOM 0 HG3 GLN A 110 5.277 6.505 2.734 1.00 0.00 H new ATOM 0 HE21 GLN A 110 3.671 5.508 1.368 1.00 0.00 H new ATOM 0 HE22 GLN A 110 3.094 6.325 -0.088 1.00 0.00 H new ATOM 1740 N GLU A 111 3.490 4.980 5.425 1.00 0.00 N ATOM 1741 CA GLU A 111 3.907 3.628 5.768 1.00 0.00 C ATOM 1742 C GLU A 111 2.804 2.625 5.482 1.00 0.00 C ATOM 1743 O GLU A 111 3.096 1.585 4.904 1.00 0.00 O ATOM 1744 CB GLU A 111 4.322 3.529 7.244 1.00 0.00 C ATOM 1745 CG GLU A 111 5.804 3.859 7.442 1.00 0.00 C ATOM 1746 CD GLU A 111 6.755 2.815 6.815 1.00 0.00 C ATOM 1747 OE1 GLU A 111 6.453 1.598 6.825 1.00 0.00 O ATOM 1748 OE2 GLU A 111 7.840 3.200 6.324 1.00 0.00 O ATOM 0 H GLU A 111 3.427 5.605 6.228 1.00 0.00 H new ATOM 0 HA GLU A 111 4.770 3.392 5.145 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.715 4.212 7.839 1.00 0.00 H new ATOM 0 HB3 GLU A 111 4.122 2.522 7.611 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.012 4.836 7.007 1.00 0.00 H new ATOM 0 HG3 GLU A 111 6.012 3.934 8.509 1.00 0.00 H new ATOM 1755 N ALA A 112 1.549 2.925 5.827 1.00 0.00 N ATOM 1756 CA ALA A 112 0.436 2.016 5.555 1.00 0.00 C ATOM 1757 C ALA A 112 0.349 1.694 4.061 1.00 0.00 C ATOM 1758 O ALA A 112 0.142 0.544 3.671 1.00 0.00 O ATOM 1759 CB ALA A 112 -0.875 2.652 6.018 1.00 0.00 C ATOM 0 H ALA A 112 1.280 3.790 6.295 1.00 0.00 H new ATOM 0 HA ALA A 112 0.608 1.089 6.101 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.702 1.972 5.814 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.825 2.851 7.089 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.034 3.588 5.482 1.00 0.00 H new ATOM 1765 N ILE A 113 0.520 2.723 3.231 1.00 0.00 N ATOM 1766 CA ILE A 113 0.444 2.609 1.783 1.00 0.00 C ATOM 1767 C ILE A 113 1.643 1.803 1.285 1.00 0.00 C ATOM 1768 O ILE A 113 1.461 0.804 0.594 1.00 0.00 O ATOM 1769 CB ILE A 113 0.395 4.025 1.181 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -0.895 4.745 1.624 1.00 0.00 C ATOM 1771 CG2 ILE A 113 0.506 4.004 -0.350 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -0.739 6.258 1.556 1.00 0.00 C ATOM 0 H ILE A 113 0.718 3.670 3.555 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.458 2.082 1.471 1.00 0.00 H new ATOM 0 HB ILE A 113 1.258 4.575 1.557 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.724 4.434 0.988 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.147 4.449 2.642 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.467 5.024 -0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.451 3.544 -0.640 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.321 3.429 -0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.666 6.734 1.875 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.073 6.570 2.212 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.512 6.555 0.532 1.00 0.00 H new ATOM 1784 N ALA A 114 2.860 2.213 1.650 1.00 0.00 N ATOM 1785 CA ALA A 114 4.085 1.547 1.224 1.00 0.00 C ATOM 1786 C ALA A 114 4.075 0.068 1.624 1.00 0.00 C ATOM 1787 O ALA A 114 4.414 -0.791 0.816 1.00 0.00 O ATOM 1788 CB ALA A 114 5.295 2.268 1.825 1.00 0.00 C ATOM 0 H ALA A 114 3.020 3.020 2.252 1.00 0.00 H new ATOM 0 HA ALA A 114 4.150 1.590 0.137 1.00 0.00 H new ATOM 0 HB1 ALA A 114 6.211 1.770 1.506 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.308 3.303 1.484 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.229 2.245 2.913 1.00 0.00 H new ATOM 1794 N ASP A 115 3.634 -0.233 2.846 1.00 0.00 N ATOM 1795 CA ASP A 115 3.537 -1.589 3.373 1.00 0.00 C ATOM 1796 C ASP A 115 2.587 -2.438 2.527 1.00 0.00 C ATOM 1797 O ASP A 115 2.917 -3.567 2.154 1.00 0.00 O ATOM 1798 CB ASP A 115 3.070 -1.534 4.831 1.00 0.00 C ATOM 1799 CG ASP A 115 3.181 -2.898 5.513 1.00 0.00 C ATOM 1800 OD1 ASP A 115 2.256 -3.726 5.381 1.00 0.00 O ATOM 1801 OD2 ASP A 115 4.192 -3.104 6.221 1.00 0.00 O ATOM 0 H ASP A 115 3.328 0.478 3.510 1.00 0.00 H new ATOM 0 HA ASP A 115 4.520 -2.059 3.331 1.00 0.00 H new ATOM 0 HB2 ASP A 115 3.668 -0.804 5.377 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.036 -1.191 4.869 1.00 0.00 H new ATOM 1806 N TRP A 116 1.440 -1.865 2.145 1.00 0.00 N ATOM 1807 CA TRP A 116 0.495 -2.526 1.259 1.00 0.00 C ATOM 1808 C TRP A 116 1.095 -2.724 -0.138 1.00 0.00 C ATOM 1809 O TRP A 116 0.880 -3.767 -0.754 1.00 0.00 O ATOM 1810 CB TRP A 116 -0.823 -1.743 1.191 1.00 0.00 C ATOM 1811 CG TRP A 116 -1.870 -2.439 0.380 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -2.232 -2.124 -0.883 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -2.622 -3.644 0.719 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -3.122 -3.060 -1.363 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -3.402 -4.019 -0.413 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -2.700 -4.476 1.858 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -4.218 -5.158 -0.410 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -3.521 -5.620 1.868 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -4.281 -5.963 0.737 1.00 0.00 C ATOM 0 H TRP A 116 1.148 -0.934 2.444 1.00 0.00 H new ATOM 0 HA TRP A 116 0.280 -3.513 1.668 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -1.199 -1.585 2.202 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -0.634 -0.758 0.763 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -1.877 -1.266 -1.434 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -3.522 -3.045 -2.301 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -2.120 -4.231 2.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -4.795 -5.415 -1.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -3.567 -6.239 2.752 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -4.910 -6.841 0.751 1.00 0.00 H new ATOM 1830 N LEU A 117 1.872 -1.764 -0.649 1.00 0.00 N ATOM 1831 CA LEU A 117 2.525 -1.891 -1.949 1.00 0.00 C ATOM 1832 C LEU A 117 3.609 -2.977 -1.923 1.00 0.00 C ATOM 1833 O LEU A 117 3.803 -3.652 -2.935 1.00 0.00 O ATOM 1834 CB LEU A 117 3.090 -0.540 -2.422 1.00 0.00 C ATOM 1835 CG LEU A 117 2.014 0.517 -2.759 1.00 0.00 C ATOM 1836 CD1 LEU A 117 2.683 1.864 -3.047 1.00 0.00 C ATOM 1837 CD2 LEU A 117 1.139 0.118 -3.955 1.00 0.00 C ATOM 0 H LEU A 117 2.063 -0.882 -0.173 1.00 0.00 H new ATOM 0 HA LEU A 117 1.770 -2.201 -2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.744 -0.141 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.708 -0.707 -3.305 1.00 0.00 H new ATOM 0 HG LEU A 117 1.361 0.592 -1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.920 2.606 -3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.243 2.187 -2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 117 3.363 1.759 -3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 117 0.402 0.899 -4.144 1.00 0.00 H new ATOM 0 HD22 LEU A 117 1.766 -0.010 -4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.627 -0.818 -3.735 1.00 0.00 H new ATOM 1849 N TYR A 118 4.283 -3.207 -0.790 1.00 0.00 N ATOM 1850 CA TYR A 118 5.198 -4.339 -0.652 1.00 0.00 C ATOM 1851 C TYR A 118 4.408 -5.646 -0.734 1.00 0.00 C ATOM 1852 O TYR A 118 4.764 -6.526 -1.513 1.00 0.00 O ATOM 1853 CB TYR A 118 5.993 -4.272 0.664 1.00 0.00 C ATOM 1854 CG TYR A 118 6.765 -2.989 0.940 1.00 0.00 C ATOM 1855 CD1 TYR A 118 7.360 -2.246 -0.102 1.00 0.00 C ATOM 1856 CD2 TYR A 118 6.879 -2.533 2.268 1.00 0.00 C ATOM 1857 CE1 TYR A 118 8.031 -1.042 0.177 1.00 0.00 C ATOM 1858 CE2 TYR A 118 7.525 -1.318 2.551 1.00 0.00 C ATOM 1859 CZ TYR A 118 8.109 -0.567 1.507 1.00 0.00 C ATOM 1860 OH TYR A 118 8.748 0.602 1.795 1.00 0.00 O ATOM 0 H TYR A 118 4.210 -2.623 0.043 1.00 0.00 H new ATOM 0 HA TYR A 118 5.920 -4.297 -1.468 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.298 -4.433 1.488 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.700 -5.102 0.676 1.00 0.00 H new ATOM 0 HD1 TYR A 118 7.300 -2.604 -1.119 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.467 -3.122 3.074 1.00 0.00 H new ATOM 0 HE1 TYR A 118 8.487 -0.480 -0.625 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.575 -0.958 3.568 1.00 0.00 H new ATOM 0 HH TYR A 118 8.701 0.771 2.759 1.00 0.00 H new ATOM 1870 N TRP A 119 3.307 -5.760 0.016 1.00 0.00 N ATOM 1871 CA TRP A 119 2.407 -6.912 -0.014 1.00 0.00 C ATOM 1872 C TRP A 119 1.881 -7.178 -1.434 1.00 0.00 C ATOM 1873 O TRP A 119 1.843 -8.331 -1.875 1.00 0.00 O ATOM 1874 CB TRP A 119 1.289 -6.662 1.016 1.00 0.00 C ATOM 1875 CG TRP A 119 0.009 -7.417 0.843 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -0.937 -7.130 -0.078 1.00 0.00 C ATOM 1877 CD2 TRP A 119 -0.529 -8.527 1.625 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -1.989 -8.003 0.050 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -1.817 -8.859 1.111 1.00 0.00 C ATOM 1880 CE3 TRP A 119 -0.076 -9.275 2.732 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -2.616 -9.868 1.662 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 -0.881 -10.273 3.317 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -2.154 -10.563 2.791 1.00 0.00 C ATOM 0 H TRP A 119 3.013 -5.038 0.674 1.00 0.00 H new ATOM 0 HA TRP A 119 2.938 -7.824 0.261 1.00 0.00 H new ATOM 0 HB2 TRP A 119 1.685 -6.893 2.005 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.055 -5.597 1.007 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -0.875 -6.334 -0.805 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -2.800 -8.015 -0.568 1.00 0.00 H new ATOM 0 HE3 TRP A 119 0.905 -9.079 3.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -3.574 -10.108 1.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -0.518 -10.819 4.175 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -2.773 -11.317 3.254 1.00 0.00 H new ATOM 1894 N LEU A 120 1.525 -6.122 -2.171 1.00 0.00 N ATOM 1895 CA LEU A 120 1.076 -6.194 -3.556 1.00 0.00 C ATOM 1896 C LEU A 120 2.167 -6.804 -4.431 1.00 0.00 C ATOM 1897 O LEU A 120 1.908 -7.786 -5.127 1.00 0.00 O ATOM 1898 CB LEU A 120 0.700 -4.773 -4.010 1.00 0.00 C ATOM 1899 CG LEU A 120 0.374 -4.586 -5.503 1.00 0.00 C ATOM 1900 CD1 LEU A 120 -0.920 -5.296 -5.907 1.00 0.00 C ATOM 1901 CD2 LEU A 120 0.252 -3.084 -5.774 1.00 0.00 C ATOM 0 H LEU A 120 1.543 -5.169 -1.807 1.00 0.00 H new ATOM 0 HA LEU A 120 0.201 -6.838 -3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -0.164 -4.448 -3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 120 1.524 -4.106 -3.756 1.00 0.00 H new ATOM 0 HG LEU A 120 1.174 -5.029 -6.096 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.107 -5.135 -6.969 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -0.824 -6.364 -5.713 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.751 -4.895 -5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.021 -2.922 -6.827 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -0.545 -2.667 -5.159 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.194 -2.592 -5.529 1.00 0.00 H new ATOM 1913 N ALA A 121 3.390 -6.266 -4.364 1.00 0.00 N ATOM 1914 CA ALA A 121 4.524 -6.778 -5.127 1.00 0.00 C ATOM 1915 C ALA A 121 4.846 -8.232 -4.757 1.00 0.00 C ATOM 1916 O ALA A 121 5.255 -9.016 -5.615 1.00 0.00 O ATOM 1917 CB ALA A 121 5.743 -5.878 -4.895 1.00 0.00 C ATOM 0 H ALA A 121 3.617 -5.463 -3.778 1.00 0.00 H new ATOM 0 HA ALA A 121 4.260 -6.767 -6.185 1.00 0.00 H new ATOM 0 HB1 ALA A 121 6.591 -6.259 -5.464 1.00 0.00 H new ATOM 0 HB2 ALA A 121 5.514 -4.864 -5.221 1.00 0.00 H new ATOM 0 HB3 ALA A 121 5.993 -5.870 -3.834 1.00 0.00 H new ATOM 1923 N ARG A 122 4.653 -8.600 -3.487 1.00 0.00 N ATOM 1924 CA ARG A 122 4.939 -9.934 -2.965 1.00 0.00 C ATOM 1925 C ARG A 122 3.909 -10.975 -3.415 1.00 0.00 C ATOM 1926 O ARG A 122 4.201 -12.169 -3.353 1.00 0.00 O ATOM 1927 CB ARG A 122 5.004 -9.841 -1.436 1.00 0.00 C ATOM 1928 CG ARG A 122 5.775 -11.003 -0.798 1.00 0.00 C ATOM 1929 CD ARG A 122 6.018 -10.711 0.684 1.00 0.00 C ATOM 1930 NE ARG A 122 4.756 -10.598 1.429 1.00 0.00 N ATOM 1931 CZ ARG A 122 4.679 -10.430 2.751 1.00 0.00 C ATOM 1932 NH1 ARG A 122 5.763 -10.214 3.484 1.00 0.00 N ATOM 1933 NH2 ARG A 122 3.508 -10.497 3.369 1.00 0.00 N ATOM 0 H ARG A 122 4.286 -7.963 -2.780 1.00 0.00 H new ATOM 0 HA ARG A 122 5.894 -10.274 -3.365 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.477 -8.900 -1.154 1.00 0.00 H new ATOM 0 HB3 ARG A 122 3.991 -9.821 -1.035 1.00 0.00 H new ATOM 0 HG2 ARG A 122 5.211 -11.929 -0.908 1.00 0.00 H new ATOM 0 HG3 ARG A 122 6.726 -11.146 -1.311 1.00 0.00 H new ATOM 0 HD2 ARG A 122 6.626 -11.505 1.117 1.00 0.00 H new ATOM 0 HD3 ARG A 122 6.584 -9.785 0.785 1.00 0.00 H new ATOM 0 HE ARG A 122 3.884 -10.651 0.903 1.00 0.00 H new ATOM 0 HH11 ARG A 122 6.680 -10.173 3.039 1.00 0.00 H new ATOM 0 HH12 ARG A 122 5.680 -10.088 4.493 1.00 0.00 H new ATOM 0 HH21 ARG A 122 2.659 -10.678 2.834 1.00 0.00 H new ATOM 0 HH22 ARG A 122 3.456 -10.368 4.379 1.00 0.00 H new