USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 485 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 46 TYR OH : rot -1:sc= 0.856 USER MOD Set 1.2: A 70 THR OG1 : rot 67:sc= 0.719 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -165:sc= -0.204 (180deg=-0.694) USER MOD Single : A 51 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0414) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -66:sc= 0.645 USER MOD Single : A 78 SER OG : rot -104:sc= -1.02 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 88:sc= 0.643 USER MOD Single : A 94 LYS NZ :NH3+ -136:sc= -0.749 (180deg=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 368 N PHE A 27 3.934 -0.829 -1.307 1.00 0.00 N ATOM 369 CA PHE A 27 3.004 0.054 -2.000 1.00 0.00 C ATOM 370 C PHE A 27 3.113 1.482 -1.471 1.00 0.00 C ATOM 371 O PHE A 27 3.338 1.698 -0.280 1.00 0.00 O ATOM 372 CB PHE A 27 1.569 -0.453 -1.839 1.00 0.00 C ATOM 373 CG PHE A 27 0.555 0.375 -2.574 1.00 0.00 C ATOM 374 CD1 PHE A 27 0.595 0.477 -3.955 1.00 0.00 C ATOM 375 CD2 PHE A 27 -0.440 1.050 -1.885 1.00 0.00 C ATOM 376 CE1 PHE A 27 -0.337 1.239 -4.635 1.00 0.00 C ATOM 377 CE2 PHE A 27 -1.375 1.813 -2.558 1.00 0.00 C ATOM 378 CZ PHE A 27 -1.324 1.907 -3.935 1.00 0.00 C ATOM 0 HA PHE A 27 3.265 0.056 -3.058 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.513 -1.482 -2.195 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.314 -0.469 -0.779 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.363 -0.045 -4.507 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.485 0.979 -0.808 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.294 1.312 -5.712 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.144 2.335 -2.008 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.054 2.502 -4.464 1.00 0.00 H new ATOM 388 N ASP A 28 2.952 2.451 -2.365 1.00 0.00 N ATOM 389 CA ASP A 28 3.032 3.858 -1.990 1.00 0.00 C ATOM 390 C ASP A 28 1.834 4.633 -2.531 1.00 0.00 C ATOM 391 O ASP A 28 1.346 5.565 -1.893 1.00 0.00 O ATOM 392 CB ASP A 28 4.331 4.474 -2.511 1.00 0.00 C ATOM 393 CG ASP A 28 5.548 3.989 -1.748 1.00 0.00 C ATOM 394 OD1 ASP A 28 5.410 3.676 -0.547 1.00 0.00 O ATOM 395 OD2 ASP A 28 6.640 3.923 -2.352 1.00 0.00 O ATOM 0 H ASP A 28 2.765 2.288 -3.354 1.00 0.00 H new ATOM 0 HA ASP A 28 3.021 3.920 -0.902 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.447 4.231 -3.567 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.269 5.560 -2.439 1.00 0.00 H new ATOM 400 N GLY A 29 1.367 4.241 -3.712 1.00 0.00 N ATOM 401 CA GLY A 29 0.231 4.911 -4.319 1.00 0.00 C ATOM 402 C GLY A 29 -0.844 5.260 -3.309 1.00 0.00 C ATOM 403 O GLY A 29 -1.678 4.423 -2.965 1.00 0.00 O ATOM 0 H GLY A 29 1.754 3.472 -4.259 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.571 5.822 -4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.195 4.270 -5.091 1.00 0.00 H new ATOM 407 N VAL A 30 -0.824 6.501 -2.831 1.00 0.00 N ATOM 408 CA VAL A 30 -1.804 6.959 -1.854 1.00 0.00 C ATOM 409 C VAL A 30 -3.207 6.489 -2.220 1.00 0.00 C ATOM 410 O VAL A 30 -3.602 6.528 -3.386 1.00 0.00 O ATOM 411 CB VAL A 30 -1.804 8.495 -1.737 1.00 0.00 C ATOM 412 CG1 VAL A 30 -2.267 9.130 -3.039 1.00 0.00 C ATOM 413 CG2 VAL A 30 -2.679 8.941 -0.576 1.00 0.00 C ATOM 0 H VAL A 30 -0.140 7.206 -3.105 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.519 6.528 -0.894 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.784 8.827 -1.542 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.260 10.215 -2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.595 8.837 -3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.278 8.793 -3.269 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.667 10.029 -0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.701 8.599 -0.738 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.297 8.516 0.352 1.00 0.00 H new ATOM 423 N VAL A 31 -3.957 6.044 -1.217 1.00 0.00 N ATOM 424 CA VAL A 31 -5.318 5.567 -1.433 1.00 0.00 C ATOM 425 C VAL A 31 -6.262 6.722 -1.748 1.00 0.00 C ATOM 426 O VAL A 31 -6.015 7.864 -1.359 1.00 0.00 O ATOM 427 CB VAL A 31 -5.848 4.807 -0.202 1.00 0.00 C ATOM 428 CG1 VAL A 31 -7.228 4.233 -0.483 1.00 0.00 C ATOM 429 CG2 VAL A 31 -4.877 3.708 0.203 1.00 0.00 C ATOM 0 H VAL A 31 -3.645 6.004 -0.247 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.284 4.887 -2.284 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.935 5.508 0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.586 3.700 0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.917 5.043 -0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.171 3.544 -1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.267 3.181 1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.757 3.006 -0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.910 4.148 0.448 1.00 0.00 H new ATOM 439 N LYS A 32 -7.344 6.418 -2.455 1.00 0.00 N ATOM 440 CA LYS A 32 -8.328 7.430 -2.823 1.00 0.00 C ATOM 441 C LYS A 32 -9.580 7.309 -1.960 1.00 0.00 C ATOM 442 O LYS A 32 -10.206 8.311 -1.614 1.00 0.00 O ATOM 443 CB LYS A 32 -8.699 7.297 -4.301 1.00 0.00 C ATOM 444 CG LYS A 32 -7.516 7.450 -5.242 1.00 0.00 C ATOM 445 CD LYS A 32 -7.277 8.907 -5.603 1.00 0.00 C ATOM 446 CE LYS A 32 -6.537 9.641 -4.496 1.00 0.00 C ATOM 447 NZ LYS A 32 -5.717 10.765 -5.028 1.00 0.00 N ATOM 0 H LYS A 32 -7.563 5.478 -2.785 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.884 8.411 -2.654 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.159 6.323 -4.465 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.448 8.049 -4.548 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.622 7.039 -4.774 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.695 6.874 -6.150 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.702 8.964 -6.527 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.232 9.398 -5.791 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.255 10.026 -3.772 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.893 8.941 -3.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.228 11.240 -4.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.015 10.395 -5.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.335 11.446 -5.514 1.00 0.00 H new ATOM 461 N ASP A 33 -9.939 6.077 -1.616 1.00 0.00 N ATOM 462 CA ASP A 33 -11.116 5.826 -0.792 1.00 0.00 C ATOM 463 C ASP A 33 -11.042 4.447 -0.145 1.00 0.00 C ATOM 464 O ASP A 33 -10.361 3.552 -0.645 1.00 0.00 O ATOM 465 CB ASP A 33 -12.388 5.941 -1.633 1.00 0.00 C ATOM 466 CG ASP A 33 -12.253 5.266 -2.983 1.00 0.00 C ATOM 467 OD1 ASP A 33 -12.308 4.019 -3.031 1.00 0.00 O ATOM 468 OD2 ASP A 33 -12.092 5.984 -3.992 1.00 0.00 O ATOM 0 H ASP A 33 -9.432 5.237 -1.895 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.143 6.577 -0.002 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.221 5.496 -1.089 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.629 6.994 -1.779 1.00 0.00 H new ATOM 473 N ALA A 34 -11.745 4.283 0.971 1.00 0.00 N ATOM 474 CA ALA A 34 -11.760 3.013 1.686 1.00 0.00 C ATOM 475 C ALA A 34 -11.821 1.838 0.716 1.00 0.00 C ATOM 476 O ALA A 34 -11.020 0.908 0.802 1.00 0.00 O ATOM 477 CB ALA A 34 -12.934 2.964 2.652 1.00 0.00 C ATOM 0 H ALA A 34 -12.312 5.015 1.400 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.833 2.934 2.254 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.932 2.010 3.179 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.846 3.777 3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.866 3.070 2.097 1.00 0.00 H new ATOM 483 N GLU A 35 -12.777 1.887 -0.206 1.00 0.00 N ATOM 484 CA GLU A 35 -12.943 0.824 -1.191 1.00 0.00 C ATOM 485 C GLU A 35 -11.627 0.539 -1.910 1.00 0.00 C ATOM 486 O GLU A 35 -11.261 -0.617 -2.119 1.00 0.00 O ATOM 487 CB GLU A 35 -14.021 1.205 -2.209 1.00 0.00 C ATOM 488 CG GLU A 35 -15.357 1.556 -1.577 1.00 0.00 C ATOM 489 CD GLU A 35 -16.529 1.277 -2.498 1.00 0.00 C ATOM 490 OE1 GLU A 35 -16.534 1.808 -3.628 1.00 0.00 O ATOM 491 OE2 GLU A 35 -17.441 0.528 -2.089 1.00 0.00 O ATOM 0 H GLU A 35 -13.448 2.650 -0.292 1.00 0.00 H new ATOM 0 HA GLU A 35 -13.253 -0.079 -0.665 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.671 2.055 -2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.163 0.376 -2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.480 0.986 -0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.359 2.611 -1.302 1.00 0.00 H new ATOM 498 N GLU A 36 -10.923 1.602 -2.287 1.00 0.00 N ATOM 499 CA GLU A 36 -9.649 1.466 -2.984 1.00 0.00 C ATOM 500 C GLU A 36 -8.600 0.825 -2.079 1.00 0.00 C ATOM 501 O GLU A 36 -7.796 0.007 -2.526 1.00 0.00 O ATOM 502 CB GLU A 36 -9.157 2.832 -3.466 1.00 0.00 C ATOM 503 CG GLU A 36 -7.870 2.766 -4.270 1.00 0.00 C ATOM 504 CD GLU A 36 -8.117 2.569 -5.753 1.00 0.00 C ATOM 505 OE1 GLU A 36 -8.503 1.448 -6.146 1.00 0.00 O ATOM 506 OE2 GLU A 36 -7.926 3.536 -6.519 1.00 0.00 O ATOM 0 H GLU A 36 -11.213 2.566 -2.122 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.804 0.819 -3.847 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.933 3.294 -4.076 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.003 3.479 -2.602 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.304 3.685 -4.119 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.254 1.948 -3.896 1.00 0.00 H new ATOM 513 N ALA A 37 -8.615 1.204 -0.805 1.00 0.00 N ATOM 514 CA ALA A 37 -7.666 0.667 0.162 1.00 0.00 C ATOM 515 C ALA A 37 -7.858 -0.835 0.343 1.00 0.00 C ATOM 516 O ALA A 37 -6.901 -1.568 0.591 1.00 0.00 O ATOM 517 CB ALA A 37 -7.811 1.384 1.497 1.00 0.00 C ATOM 0 H ALA A 37 -9.274 1.880 -0.419 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.659 0.835 -0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.096 0.973 2.210 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.617 2.448 1.361 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.823 1.245 1.877 1.00 0.00 H new ATOM 523 N VAL A 38 -9.102 -1.287 0.218 1.00 0.00 N ATOM 524 CA VAL A 38 -9.419 -2.702 0.367 1.00 0.00 C ATOM 525 C VAL A 38 -8.820 -3.523 -0.769 1.00 0.00 C ATOM 526 O VAL A 38 -8.165 -4.539 -0.537 1.00 0.00 O ATOM 527 CB VAL A 38 -10.941 -2.935 0.407 1.00 0.00 C ATOM 528 CG1 VAL A 38 -11.258 -4.419 0.302 1.00 0.00 C ATOM 529 CG2 VAL A 38 -11.537 -2.343 1.675 1.00 0.00 C ATOM 0 H VAL A 38 -9.906 -0.694 0.014 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.984 -3.025 1.313 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.390 -2.431 -0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.338 -4.563 0.332 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.866 -4.809 -0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.798 -4.949 1.136 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.613 -2.517 1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.083 -2.817 2.546 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.342 -1.271 1.702 1.00 0.00 H new ATOM 539 N ARG A 39 -9.050 -3.075 -2.000 1.00 0.00 N ATOM 540 CA ARG A 39 -8.534 -3.768 -3.174 1.00 0.00 C ATOM 541 C ARG A 39 -7.011 -3.860 -3.125 1.00 0.00 C ATOM 542 O ARG A 39 -6.440 -4.941 -3.267 1.00 0.00 O ATOM 543 CB ARG A 39 -8.971 -3.049 -4.451 1.00 0.00 C ATOM 544 CG ARG A 39 -10.473 -3.076 -4.681 1.00 0.00 C ATOM 545 CD ARG A 39 -10.854 -2.352 -5.963 1.00 0.00 C ATOM 546 NE ARG A 39 -10.352 -3.039 -7.149 1.00 0.00 N ATOM 547 CZ ARG A 39 -10.145 -2.437 -8.315 1.00 0.00 C ATOM 548 NH1 ARG A 39 -10.396 -1.142 -8.450 1.00 0.00 N ATOM 549 NH2 ARG A 39 -9.686 -3.131 -9.349 1.00 0.00 N ATOM 0 H ARG A 39 -9.590 -2.235 -2.209 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.943 -4.779 -3.177 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.637 -2.012 -4.407 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.473 -3.508 -5.305 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.816 -4.109 -4.730 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.980 -2.612 -3.835 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.939 -2.270 -6.024 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.458 -1.337 -5.937 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.149 -4.036 -7.079 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.749 -0.606 -7.657 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.236 -0.682 -9.346 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.492 -4.127 -9.249 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.527 -2.668 -10.244 1.00 0.00 H new ATOM 563 N ILE A 40 -6.361 -2.719 -2.924 1.00 0.00 N ATOM 564 CA ILE A 40 -4.906 -2.671 -2.856 1.00 0.00 C ATOM 565 C ILE A 40 -4.373 -3.624 -1.791 1.00 0.00 C ATOM 566 O ILE A 40 -3.452 -4.400 -2.043 1.00 0.00 O ATOM 567 CB ILE A 40 -4.403 -1.247 -2.552 1.00 0.00 C ATOM 568 CG1 ILE A 40 -4.780 -0.296 -3.690 1.00 0.00 C ATOM 569 CG2 ILE A 40 -2.897 -1.253 -2.336 1.00 0.00 C ATOM 570 CD1 ILE A 40 -4.616 1.165 -3.335 1.00 0.00 C ATOM 0 H ILE A 40 -6.819 -1.815 -2.805 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.535 -2.978 -3.834 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.880 -0.896 -1.637 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.164 -0.522 -4.560 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.816 -0.478 -3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.556 -0.240 -2.122 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.653 -1.903 -1.496 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.402 -1.620 -3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.901 1.781 -4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.253 1.406 -2.484 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.576 1.362 -3.077 1.00 0.00 H new ATOM 582 N ALA A 41 -4.962 -3.561 -0.601 1.00 0.00 N ATOM 583 CA ALA A 41 -4.549 -4.421 0.501 1.00 0.00 C ATOM 584 C ALA A 41 -4.577 -5.890 0.092 1.00 0.00 C ATOM 585 O ALA A 41 -3.581 -6.600 0.227 1.00 0.00 O ATOM 586 CB ALA A 41 -5.442 -4.192 1.712 1.00 0.00 C ATOM 0 H ALA A 41 -5.726 -2.924 -0.376 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.523 -4.164 0.765 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.122 -4.841 2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.369 -3.151 2.026 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.475 -4.420 1.451 1.00 0.00 H new ATOM 592 N ARG A 42 -5.723 -6.338 -0.409 1.00 0.00 N ATOM 593 CA ARG A 42 -5.881 -7.723 -0.836 1.00 0.00 C ATOM 594 C ARG A 42 -4.719 -8.152 -1.728 1.00 0.00 C ATOM 595 O ARG A 42 -4.262 -9.293 -1.662 1.00 0.00 O ATOM 596 CB ARG A 42 -7.204 -7.902 -1.582 1.00 0.00 C ATOM 597 CG ARG A 42 -8.428 -7.615 -0.728 1.00 0.00 C ATOM 598 CD ARG A 42 -9.628 -7.240 -1.584 1.00 0.00 C ATOM 599 NE ARG A 42 -10.386 -8.414 -2.008 1.00 0.00 N ATOM 600 CZ ARG A 42 -11.554 -8.346 -2.638 1.00 0.00 C ATOM 601 NH1 ARG A 42 -12.095 -7.168 -2.914 1.00 0.00 N ATOM 602 NH2 ARG A 42 -12.183 -9.460 -2.992 1.00 0.00 N ATOM 0 H ARG A 42 -6.556 -5.762 -0.529 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.886 -8.353 0.054 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.214 -7.243 -2.450 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.265 -8.924 -1.957 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.668 -8.492 -0.127 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.207 -6.804 -0.034 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.280 -6.571 -1.022 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.289 -6.691 -2.462 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.998 -9.336 -1.810 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.615 -6.310 -2.643 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.992 -7.119 -3.398 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.770 -10.368 -2.780 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.080 -9.408 -3.476 1.00 0.00 H new ATOM 616 N GLU A 43 -4.248 -7.230 -2.562 1.00 0.00 N ATOM 617 CA GLU A 43 -3.142 -7.514 -3.468 1.00 0.00 C ATOM 618 C GLU A 43 -1.841 -7.707 -2.694 1.00 0.00 C ATOM 619 O GLU A 43 -1.072 -8.628 -2.972 1.00 0.00 O ATOM 620 CB GLU A 43 -2.980 -6.380 -4.483 1.00 0.00 C ATOM 621 CG GLU A 43 -3.810 -6.567 -5.742 1.00 0.00 C ATOM 622 CD GLU A 43 -3.411 -5.613 -6.850 1.00 0.00 C ATOM 623 OE1 GLU A 43 -3.861 -4.448 -6.821 1.00 0.00 O ATOM 624 OE2 GLU A 43 -2.649 -6.031 -7.747 1.00 0.00 O ATOM 0 H GLU A 43 -4.615 -6.281 -2.629 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.370 -8.438 -3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.259 -5.438 -4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.929 -6.299 -4.760 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.703 -7.593 -6.095 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.863 -6.421 -5.503 1.00 0.00 H new ATOM 631 N ILE A 44 -1.602 -6.833 -1.723 1.00 0.00 N ATOM 632 CA ILE A 44 -0.395 -6.908 -0.908 1.00 0.00 C ATOM 633 C ILE A 44 -0.383 -8.173 -0.057 1.00 0.00 C ATOM 634 O ILE A 44 0.657 -8.804 0.122 1.00 0.00 O ATOM 635 CB ILE A 44 -0.261 -5.681 0.013 1.00 0.00 C ATOM 636 CG1 ILE A 44 -0.404 -4.390 -0.795 1.00 0.00 C ATOM 637 CG2 ILE A 44 1.074 -5.710 0.743 1.00 0.00 C ATOM 638 CD1 ILE A 44 -0.134 -3.139 0.011 1.00 0.00 C ATOM 0 H ILE A 44 -2.228 -6.065 -1.481 1.00 0.00 H new ATOM 0 HA ILE A 44 0.450 -6.929 -1.597 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.060 -5.713 0.754 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.283 -4.423 -1.641 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.413 -4.338 -1.205 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.154 -4.836 1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.139 -6.616 1.346 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.886 -5.699 0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.254 -2.263 -0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.837 -3.083 0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.884 -3.169 0.399 1.00 0.00 H new ATOM 650 N GLY A 45 -1.550 -8.539 0.465 1.00 0.00 N ATOM 651 CA GLY A 45 -1.653 -9.729 1.289 1.00 0.00 C ATOM 652 C GLY A 45 -1.706 -9.405 2.769 1.00 0.00 C ATOM 653 O GLY A 45 -0.718 -8.954 3.349 1.00 0.00 O ATOM 0 H GLY A 45 -2.425 -8.033 0.332 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.548 -10.285 1.009 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.800 -10.379 1.092 1.00 0.00 H new ATOM 657 N TYR A 46 -2.862 -9.635 3.382 1.00 0.00 N ATOM 658 CA TYR A 46 -3.041 -9.361 4.803 1.00 0.00 C ATOM 659 C TYR A 46 -2.136 -10.253 5.648 1.00 0.00 C ATOM 660 O TYR A 46 -1.756 -11.353 5.247 1.00 0.00 O ATOM 661 CB TYR A 46 -4.502 -9.571 5.205 1.00 0.00 C ATOM 662 CG TYR A 46 -5.448 -8.561 4.596 1.00 0.00 C ATOM 663 CD1 TYR A 46 -5.658 -7.326 5.198 1.00 0.00 C ATOM 664 CD2 TYR A 46 -6.133 -8.841 3.420 1.00 0.00 C ATOM 665 CE1 TYR A 46 -6.523 -6.401 4.646 1.00 0.00 C ATOM 666 CE2 TYR A 46 -6.998 -7.921 2.860 1.00 0.00 C ATOM 667 CZ TYR A 46 -7.189 -6.703 3.476 1.00 0.00 C ATOM 668 OH TYR A 46 -8.051 -5.784 2.923 1.00 0.00 O ATOM 0 H TYR A 46 -3.689 -10.010 2.917 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.768 -8.321 4.984 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.812 -10.573 4.907 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.582 -9.523 6.291 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.136 -7.085 6.113 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.987 -9.795 2.935 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.677 -5.447 5.128 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.522 -8.155 1.945 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.086 -4.986 3.490 1.00 0.00 H new ATOM 678 N PRO A 47 -1.783 -9.768 6.848 1.00 0.00 N ATOM 679 CA PRO A 47 -2.229 -8.460 7.336 1.00 0.00 C ATOM 680 C PRO A 47 -1.587 -7.306 6.572 1.00 0.00 C ATOM 681 O PRO A 47 -0.521 -7.461 5.976 1.00 0.00 O ATOM 682 CB PRO A 47 -1.774 -8.452 8.797 1.00 0.00 C ATOM 683 CG PRO A 47 -0.623 -9.396 8.841 1.00 0.00 C ATOM 684 CD PRO A 47 -0.921 -10.460 7.821 1.00 0.00 C ATOM 0 HA PRO A 47 -3.303 -8.323 7.209 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.478 -7.452 9.114 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.575 -8.773 9.463 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.311 -8.884 8.609 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.511 -9.829 9.835 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -0.010 -10.836 7.355 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.427 -11.316 8.269 1.00 0.00 H new ATOM 692 N VAL A 48 -2.242 -6.150 6.594 1.00 0.00 N ATOM 693 CA VAL A 48 -1.734 -4.970 5.905 1.00 0.00 C ATOM 694 C VAL A 48 -1.769 -3.746 6.813 1.00 0.00 C ATOM 695 O VAL A 48 -2.809 -3.410 7.379 1.00 0.00 O ATOM 696 CB VAL A 48 -2.545 -4.673 4.629 1.00 0.00 C ATOM 697 CG1 VAL A 48 -2.529 -5.873 3.695 1.00 0.00 C ATOM 698 CG2 VAL A 48 -3.971 -4.281 4.984 1.00 0.00 C ATOM 0 H VAL A 48 -3.126 -6.005 7.082 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.702 -5.184 5.629 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.081 -3.834 4.111 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.107 -5.645 2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.501 -6.102 3.415 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.968 -6.733 4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.530 -4.075 4.071 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.449 -5.098 5.525 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.958 -3.389 5.611 1.00 0.00 H new ATOM 708 N MET A 49 -0.626 -3.082 6.946 1.00 0.00 N ATOM 709 CA MET A 49 -0.526 -1.893 7.785 1.00 0.00 C ATOM 710 C MET A 49 -0.950 -0.647 7.014 1.00 0.00 C ATOM 711 O MET A 49 -0.728 -0.548 5.807 1.00 0.00 O ATOM 712 CB MET A 49 0.905 -1.726 8.301 1.00 0.00 C ATOM 713 CG MET A 49 1.180 -0.353 8.894 1.00 0.00 C ATOM 714 SD MET A 49 2.938 -0.046 9.148 1.00 0.00 S ATOM 715 CE MET A 49 3.474 -1.639 9.767 1.00 0.00 C ATOM 0 H MET A 49 0.244 -3.347 6.484 1.00 0.00 H new ATOM 0 HA MET A 49 -1.198 -2.020 8.634 1.00 0.00 H new ATOM 0 HB2 MET A 49 1.101 -2.486 9.058 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.601 -1.905 7.482 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.773 0.412 8.233 1.00 0.00 H new ATOM 0 HG3 MET A 49 0.658 -0.262 9.846 1.00 0.00 H new ATOM 0 HE1 MET A 49 4.461 -1.541 10.218 1.00 0.00 H new ATOM 0 HE2 MET A 49 2.767 -1.995 10.516 1.00 0.00 H new ATOM 0 HE3 MET A 49 3.520 -2.352 8.944 1.00 0.00 H new ATOM 725 N ILE A 50 -1.561 0.299 7.718 1.00 0.00 N ATOM 726 CA ILE A 50 -2.015 1.538 7.099 1.00 0.00 C ATOM 727 C ILE A 50 -1.430 2.754 7.809 1.00 0.00 C ATOM 728 O ILE A 50 -1.643 2.951 9.006 1.00 0.00 O ATOM 729 CB ILE A 50 -3.551 1.642 7.108 1.00 0.00 C ATOM 730 CG1 ILE A 50 -4.171 0.417 6.433 1.00 0.00 C ATOM 731 CG2 ILE A 50 -4.000 2.920 6.415 1.00 0.00 C ATOM 732 CD1 ILE A 50 -5.552 0.078 6.948 1.00 0.00 C ATOM 0 H ILE A 50 -1.753 0.231 8.717 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.666 1.521 6.066 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.892 1.674 8.143 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.226 0.593 5.359 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.515 -0.441 6.583 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.088 2.979 6.430 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.583 3.782 6.936 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.651 2.916 5.382 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.930 -0.801 6.425 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.501 -0.130 8.017 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.222 0.920 6.774 1.00 0.00 H new ATOM 744 N LYS A 51 -0.692 3.570 7.063 1.00 0.00 N ATOM 745 CA LYS A 51 -0.078 4.770 7.619 1.00 0.00 C ATOM 746 C LYS A 51 -0.619 6.024 6.938 1.00 0.00 C ATOM 747 O LYS A 51 -1.407 5.939 5.997 1.00 0.00 O ATOM 748 CB LYS A 51 1.443 4.708 7.464 1.00 0.00 C ATOM 749 CG LYS A 51 2.038 3.363 7.841 1.00 0.00 C ATOM 750 CD LYS A 51 2.078 2.417 6.652 1.00 0.00 C ATOM 751 CE LYS A 51 3.340 2.613 5.826 1.00 0.00 C ATOM 752 NZ LYS A 51 4.533 2.012 6.485 1.00 0.00 N ATOM 0 H LYS A 51 -0.505 3.422 6.071 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.327 4.818 8.679 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.704 4.934 6.430 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.895 5.482 8.084 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.047 3.506 8.227 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.450 2.916 8.643 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.029 1.387 7.004 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.202 2.582 6.025 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.204 2.164 4.842 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.510 3.678 5.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.366 2.608 6.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.368 1.947 7.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.700 1.060 6.100 1.00 0.00 H new ATOM 766 N ALA A 52 -0.188 7.185 7.419 1.00 0.00 N ATOM 767 CA ALA A 52 -0.626 8.455 6.854 1.00 0.00 C ATOM 768 C ALA A 52 0.418 9.020 5.897 1.00 0.00 C ATOM 769 O ALA A 52 1.507 9.413 6.313 1.00 0.00 O ATOM 770 CB ALA A 52 -0.921 9.453 7.965 1.00 0.00 C ATOM 0 H ALA A 52 0.464 7.272 8.199 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.540 8.276 6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.247 10.397 7.529 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.708 9.059 8.608 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.019 9.618 8.555 1.00 0.00 H new ATOM 776 N SER A 53 0.078 9.056 4.612 1.00 0.00 N ATOM 777 CA SER A 53 0.988 9.568 3.595 1.00 0.00 C ATOM 778 C SER A 53 1.605 10.892 4.034 1.00 0.00 C ATOM 779 O SER A 53 2.818 11.082 3.953 1.00 0.00 O ATOM 780 CB SER A 53 0.251 9.751 2.267 1.00 0.00 C ATOM 781 OG SER A 53 1.147 9.674 1.171 1.00 0.00 O ATOM 0 H SER A 53 -0.821 8.737 4.251 1.00 0.00 H new ATOM 0 HA SER A 53 1.789 8.841 3.461 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.518 8.986 2.166 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.256 10.716 2.259 1.00 0.00 H new ATOM 0 HG SER A 53 0.651 9.792 0.334 1.00 0.00 H new ATOM 787 N ALA A 54 0.759 11.806 4.500 1.00 0.00 N ATOM 788 CA ALA A 54 1.219 13.112 4.954 1.00 0.00 C ATOM 789 C ALA A 54 2.363 12.974 5.954 1.00 0.00 C ATOM 790 O ALA A 54 3.276 13.797 5.985 1.00 0.00 O ATOM 791 CB ALA A 54 0.068 13.892 5.571 1.00 0.00 C ATOM 0 H ALA A 54 -0.249 11.665 4.573 1.00 0.00 H new ATOM 0 HA ALA A 54 1.592 13.659 4.088 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.426 14.865 5.906 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.717 14.030 4.828 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.331 13.340 6.422 1.00 0.00 H new ATOM 871 N ARG A 62 -2.552 2.721 12.247 1.00 0.00 N ATOM 872 CA ARG A 62 -3.486 1.617 12.430 1.00 0.00 C ATOM 873 C ARG A 62 -3.173 0.474 11.469 1.00 0.00 C ATOM 874 O ARG A 62 -2.567 0.683 10.417 1.00 0.00 O ATOM 875 CB ARG A 62 -4.923 2.097 12.218 1.00 0.00 C ATOM 876 CG ARG A 62 -5.970 1.157 12.793 1.00 0.00 C ATOM 877 CD ARG A 62 -7.356 1.782 12.764 1.00 0.00 C ATOM 878 NE ARG A 62 -7.638 2.547 13.976 1.00 0.00 N ATOM 879 CZ ARG A 62 -8.065 2.000 15.108 1.00 0.00 C ATOM 880 NH1 ARG A 62 -8.259 0.690 15.183 1.00 0.00 N ATOM 881 NH2 ARG A 62 -8.299 2.762 16.168 1.00 0.00 N ATOM 0 HA ARG A 62 -3.379 1.249 13.451 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.040 3.080 12.674 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.103 2.218 11.150 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.977 0.227 12.224 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.706 0.901 13.819 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.441 2.435 11.895 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.105 0.998 12.648 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.499 3.557 13.951 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.080 0.101 14.370 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.587 0.272 16.054 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.151 3.770 16.114 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.627 2.340 17.037 1.00 0.00 H new ATOM 895 N ILE A 63 -3.590 -0.732 11.837 1.00 0.00 N ATOM 896 CA ILE A 63 -3.355 -1.907 11.007 1.00 0.00 C ATOM 897 C ILE A 63 -4.646 -2.684 10.775 1.00 0.00 C ATOM 898 O ILE A 63 -5.520 -2.728 11.640 1.00 0.00 O ATOM 899 CB ILE A 63 -2.312 -2.846 11.642 1.00 0.00 C ATOM 900 CG1 ILE A 63 -1.027 -2.076 11.958 1.00 0.00 C ATOM 901 CG2 ILE A 63 -2.020 -4.017 10.717 1.00 0.00 C ATOM 902 CD1 ILE A 63 -0.065 -2.843 12.838 1.00 0.00 C ATOM 0 H ILE A 63 -4.092 -0.922 12.704 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.974 -1.546 10.052 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.718 -3.238 12.575 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.527 -1.820 11.024 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.286 -1.138 12.448 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.281 -4.671 11.180 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.938 -4.576 10.537 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.631 -3.644 9.770 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.823 -2.237 13.021 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.547 -3.076 13.787 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.224 -3.769 12.341 1.00 0.00 H new ATOM 914 N ALA A 64 -4.758 -3.299 9.602 1.00 0.00 N ATOM 915 CA ALA A 64 -5.941 -4.078 9.257 1.00 0.00 C ATOM 916 C ALA A 64 -5.563 -5.494 8.838 1.00 0.00 C ATOM 917 O ALA A 64 -4.456 -5.733 8.355 1.00 0.00 O ATOM 918 CB ALA A 64 -6.723 -3.388 8.149 1.00 0.00 C ATOM 0 H ALA A 64 -4.044 -3.273 8.874 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.572 -4.146 10.143 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.604 -3.981 7.902 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.034 -2.399 8.485 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.092 -3.289 7.266 1.00 0.00 H new ATOM 924 N TRP A 65 -6.487 -6.428 9.026 1.00 0.00 N ATOM 925 CA TRP A 65 -6.249 -7.822 8.668 1.00 0.00 C ATOM 926 C TRP A 65 -7.258 -8.297 7.628 1.00 0.00 C ATOM 927 O TRP A 65 -7.053 -9.317 6.970 1.00 0.00 O ATOM 928 CB TRP A 65 -6.324 -8.710 9.911 1.00 0.00 C ATOM 929 CG TRP A 65 -5.232 -8.437 10.901 1.00 0.00 C ATOM 930 CD1 TRP A 65 -5.087 -7.321 11.675 1.00 0.00 C ATOM 931 CD2 TRP A 65 -4.133 -9.296 11.223 1.00 0.00 C ATOM 932 NE1 TRP A 65 -3.964 -7.435 12.458 1.00 0.00 N ATOM 933 CE2 TRP A 65 -3.361 -8.637 12.200 1.00 0.00 C ATOM 934 CE3 TRP A 65 -3.726 -10.558 10.782 1.00 0.00 C ATOM 935 CZ2 TRP A 65 -2.207 -9.199 12.740 1.00 0.00 C ATOM 936 CZ3 TRP A 65 -2.581 -11.114 11.319 1.00 0.00 C ATOM 937 CH2 TRP A 65 -1.833 -10.436 12.290 1.00 0.00 C ATOM 0 H TRP A 65 -7.408 -6.246 9.424 1.00 0.00 H new ATOM 0 HA TRP A 65 -5.250 -7.895 8.238 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.289 -8.564 10.396 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -6.275 -9.755 9.606 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -5.757 -6.474 11.672 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -3.633 -6.737 13.124 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -4.296 -11.089 10.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -1.628 -8.677 13.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -2.257 -12.088 10.984 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.944 -10.899 12.691 1.00 0.00 H new ATOM 948 N ASP A 66 -8.348 -7.551 7.484 1.00 0.00 N ATOM 949 CA ASP A 66 -9.389 -7.895 6.522 1.00 0.00 C ATOM 950 C ASP A 66 -10.044 -6.639 5.957 1.00 0.00 C ATOM 951 O ASP A 66 -9.917 -5.553 6.522 1.00 0.00 O ATOM 952 CB ASP A 66 -10.445 -8.785 7.179 1.00 0.00 C ATOM 953 CG ASP A 66 -9.843 -9.773 8.159 1.00 0.00 C ATOM 954 OD1 ASP A 66 -8.961 -10.556 7.746 1.00 0.00 O ATOM 955 OD2 ASP A 66 -10.252 -9.762 9.338 1.00 0.00 O ATOM 0 H ASP A 66 -8.534 -6.704 8.021 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.925 -8.441 5.701 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.171 -8.159 7.698 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.988 -9.329 6.407 1.00 0.00 H new ATOM 960 N ASP A 67 -10.744 -6.795 4.839 1.00 0.00 N ATOM 961 CA ASP A 67 -11.419 -5.673 4.197 1.00 0.00 C ATOM 962 C ASP A 67 -12.137 -4.808 5.228 1.00 0.00 C ATOM 963 O ASP A 67 -11.971 -3.589 5.253 1.00 0.00 O ATOM 964 CB ASP A 67 -12.417 -6.180 3.155 1.00 0.00 C ATOM 965 CG ASP A 67 -13.523 -7.015 3.770 1.00 0.00 C ATOM 966 OD1 ASP A 67 -13.204 -7.965 4.516 1.00 0.00 O ATOM 967 OD2 ASP A 67 -14.707 -6.719 3.506 1.00 0.00 O ATOM 0 H ASP A 67 -10.859 -7.687 4.358 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.664 -5.063 3.700 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.855 -5.330 2.632 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -11.889 -6.774 2.409 1.00 0.00 H new ATOM 972 N GLU A 68 -12.935 -5.448 6.077 1.00 0.00 N ATOM 973 CA GLU A 68 -13.680 -4.736 7.109 1.00 0.00 C ATOM 974 C GLU A 68 -12.755 -3.834 7.922 1.00 0.00 C ATOM 975 O GLU A 68 -13.071 -2.672 8.175 1.00 0.00 O ATOM 976 CB GLU A 68 -14.386 -5.728 8.036 1.00 0.00 C ATOM 977 CG GLU A 68 -13.441 -6.701 8.721 1.00 0.00 C ATOM 978 CD GLU A 68 -14.157 -7.631 9.681 1.00 0.00 C ATOM 979 OE1 GLU A 68 -14.719 -8.645 9.217 1.00 0.00 O ATOM 980 OE2 GLU A 68 -14.153 -7.345 10.896 1.00 0.00 O ATOM 0 H GLU A 68 -13.082 -6.457 6.071 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.428 -4.114 6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.936 -5.173 8.796 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -15.119 -6.292 7.460 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.924 -7.293 7.965 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.679 -6.141 9.264 1.00 0.00 H new ATOM 987 N GLU A 69 -11.613 -4.379 8.328 1.00 0.00 N ATOM 988 CA GLU A 69 -10.644 -3.624 9.114 1.00 0.00 C ATOM 989 C GLU A 69 -10.014 -2.512 8.279 1.00 0.00 C ATOM 990 O GLU A 69 -9.878 -1.377 8.736 1.00 0.00 O ATOM 991 CB GLU A 69 -9.553 -4.554 9.650 1.00 0.00 C ATOM 992 CG GLU A 69 -10.057 -5.557 10.674 1.00 0.00 C ATOM 993 CD GLU A 69 -8.949 -6.097 11.556 1.00 0.00 C ATOM 994 OE1 GLU A 69 -7.974 -5.357 11.805 1.00 0.00 O ATOM 995 OE2 GLU A 69 -9.057 -7.260 11.999 1.00 0.00 O ATOM 0 H GLU A 69 -11.336 -5.340 8.126 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.170 -3.171 9.954 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.105 -5.093 8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.764 -3.952 10.101 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.815 -5.084 11.298 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.541 -6.386 10.157 1.00 0.00 H new ATOM 1002 N THR A 70 -9.631 -2.848 7.050 1.00 0.00 N ATOM 1003 CA THR A 70 -9.015 -1.880 6.151 1.00 0.00 C ATOM 1004 C THR A 70 -9.822 -0.588 6.097 1.00 0.00 C ATOM 1005 O THR A 70 -9.297 0.494 6.358 1.00 0.00 O ATOM 1006 CB THR A 70 -8.878 -2.446 4.725 1.00 0.00 C ATOM 1007 OG1 THR A 70 -7.985 -3.566 4.727 1.00 0.00 O ATOM 1008 CG2 THR A 70 -8.363 -1.382 3.768 1.00 0.00 C ATOM 0 H THR A 70 -9.737 -3.783 6.655 1.00 0.00 H new ATOM 0 HA THR A 70 -8.022 -1.668 6.547 1.00 0.00 H new ATOM 0 HB THR A 70 -9.864 -2.768 4.389 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.386 -4.303 5.234 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.274 -1.805 2.767 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.059 -0.544 3.747 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.386 -1.034 4.103 1.00 0.00 H new ATOM 1016 N ARG A 71 -11.101 -0.709 5.758 1.00 0.00 N ATOM 1017 CA ARG A 71 -11.981 0.451 5.670 1.00 0.00 C ATOM 1018 C ARG A 71 -12.076 1.165 7.015 1.00 0.00 C ATOM 1019 O ARG A 71 -11.666 2.318 7.148 1.00 0.00 O ATOM 1020 CB ARG A 71 -13.375 0.026 5.206 1.00 0.00 C ATOM 1021 CG ARG A 71 -13.363 -0.847 3.961 1.00 0.00 C ATOM 1022 CD ARG A 71 -14.547 -1.800 3.938 1.00 0.00 C ATOM 1023 NE ARG A 71 -15.711 -1.212 3.281 1.00 0.00 N ATOM 1024 CZ ARG A 71 -16.850 -1.865 3.079 1.00 0.00 C ATOM 1025 NH1 ARG A 71 -16.977 -3.122 3.482 1.00 0.00 N ATOM 1026 NH2 ARG A 71 -17.865 -1.262 2.474 1.00 0.00 N ATOM 0 H ARG A 71 -11.551 -1.598 5.540 1.00 0.00 H new ATOM 0 HA ARG A 71 -11.558 1.142 4.941 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.868 -0.515 6.014 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -13.970 0.917 5.009 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -13.385 -0.216 3.073 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -12.435 -1.417 3.924 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -14.264 -2.717 3.421 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -14.809 -2.077 4.959 1.00 0.00 H new ATOM 0 HE ARG A 71 -15.646 -0.246 2.959 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -16.199 -3.589 3.948 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -17.852 -3.622 3.326 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -17.772 -0.295 2.163 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -18.739 -1.765 2.320 1.00 0.00 H new ATOM 1040 N ASP A 72 -12.620 0.472 8.009 1.00 0.00 N ATOM 1041 CA ASP A 72 -12.770 1.039 9.344 1.00 0.00 C ATOM 1042 C ASP A 72 -11.505 1.781 9.764 1.00 0.00 C ATOM 1043 O ASP A 72 -11.570 2.813 10.430 1.00 0.00 O ATOM 1044 CB ASP A 72 -13.089 -0.063 10.357 1.00 0.00 C ATOM 1045 CG ASP A 72 -14.568 -0.393 10.405 1.00 0.00 C ATOM 1046 OD1 ASP A 72 -15.339 0.418 10.959 1.00 0.00 O ATOM 1047 OD2 ASP A 72 -14.954 -1.462 9.889 1.00 0.00 O ATOM 0 H ASP A 72 -12.965 -0.483 7.916 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.596 1.750 9.319 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.527 -0.961 10.102 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -12.757 0.250 11.347 1.00 0.00 H new ATOM 1052 N GLY A 73 -10.353 1.246 9.370 1.00 0.00 N ATOM 1053 CA GLY A 73 -9.089 1.871 9.716 1.00 0.00 C ATOM 1054 C GLY A 73 -8.736 3.017 8.789 1.00 0.00 C ATOM 1055 O GLY A 73 -8.117 3.996 9.208 1.00 0.00 O ATOM 0 H GLY A 73 -10.272 0.392 8.818 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.138 2.239 10.741 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.296 1.123 9.683 1.00 0.00 H new ATOM 1059 N PHE A 74 -9.129 2.897 7.525 1.00 0.00 N ATOM 1060 CA PHE A 74 -8.848 3.931 6.536 1.00 0.00 C ATOM 1061 C PHE A 74 -9.639 5.200 6.836 1.00 0.00 C ATOM 1062 O PHE A 74 -9.150 6.312 6.634 1.00 0.00 O ATOM 1063 CB PHE A 74 -9.185 3.427 5.131 1.00 0.00 C ATOM 1064 CG PHE A 74 -9.331 4.527 4.118 1.00 0.00 C ATOM 1065 CD1 PHE A 74 -10.467 5.319 4.096 1.00 0.00 C ATOM 1066 CD2 PHE A 74 -8.332 4.768 3.189 1.00 0.00 C ATOM 1067 CE1 PHE A 74 -10.605 6.332 3.166 1.00 0.00 C ATOM 1068 CE2 PHE A 74 -8.464 5.780 2.257 1.00 0.00 C ATOM 1069 CZ PHE A 74 -9.602 6.562 2.245 1.00 0.00 C ATOM 0 H PHE A 74 -9.643 2.094 7.162 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.785 4.167 6.585 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.403 2.743 4.802 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -10.112 2.856 5.171 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.254 5.143 4.814 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.440 4.159 3.193 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -11.496 6.943 3.160 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.678 5.959 1.539 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.708 7.352 1.516 1.00 0.00 H new ATOM 1079 N ARG A 75 -10.865 5.026 7.320 1.00 0.00 N ATOM 1080 CA ARG A 75 -11.725 6.157 7.646 1.00 0.00 C ATOM 1081 C ARG A 75 -11.163 6.945 8.826 1.00 0.00 C ATOM 1082 O ARG A 75 -11.316 8.165 8.901 1.00 0.00 O ATOM 1083 CB ARG A 75 -13.139 5.672 7.971 1.00 0.00 C ATOM 1084 CG ARG A 75 -13.773 4.853 6.858 1.00 0.00 C ATOM 1085 CD ARG A 75 -15.170 4.385 7.237 1.00 0.00 C ATOM 1086 NE ARG A 75 -16.112 5.497 7.330 1.00 0.00 N ATOM 1087 CZ ARG A 75 -16.269 6.238 8.421 1.00 0.00 C ATOM 1088 NH1 ARG A 75 -15.549 5.987 9.506 1.00 0.00 N ATOM 1089 NH2 ARG A 75 -17.147 7.232 8.429 1.00 0.00 N ATOM 0 H ARG A 75 -11.284 4.113 7.495 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.764 6.814 6.777 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.108 5.071 8.880 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.771 6.535 8.181 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.823 5.451 5.948 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.146 3.989 6.638 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.526 3.669 6.496 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.131 3.862 8.193 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.681 5.717 6.512 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.873 5.223 9.504 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.671 6.558 10.343 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.703 7.428 7.597 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.266 7.800 9.268 1.00 0.00 H new ATOM 1103 N LEU A 76 -10.512 6.241 9.745 1.00 0.00 N ATOM 1104 CA LEU A 76 -9.927 6.874 10.921 1.00 0.00 C ATOM 1105 C LEU A 76 -8.544 7.434 10.607 1.00 0.00 C ATOM 1106 O LEU A 76 -8.298 8.631 10.758 1.00 0.00 O ATOM 1107 CB LEU A 76 -9.834 5.870 12.072 1.00 0.00 C ATOM 1108 CG LEU A 76 -11.128 5.139 12.431 1.00 0.00 C ATOM 1109 CD1 LEU A 76 -10.833 3.929 13.304 1.00 0.00 C ATOM 1110 CD2 LEU A 76 -12.095 6.081 13.133 1.00 0.00 C ATOM 0 H LEU A 76 -10.376 5.231 9.698 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.574 7.699 11.218 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -9.078 5.126 11.819 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.479 6.396 12.958 1.00 0.00 H new ATOM 0 HG LEU A 76 -11.594 4.792 11.509 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.766 3.421 13.549 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.177 3.244 12.767 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.344 4.254 14.223 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -13.010 5.544 13.381 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.636 6.458 14.047 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.332 6.917 12.474 1.00 0.00 H new ATOM 1122 N SER A 77 -7.643 6.561 10.167 1.00 0.00 N ATOM 1123 CA SER A 77 -6.283 6.968 9.832 1.00 0.00 C ATOM 1124 C SER A 77 -6.292 8.164 8.885 1.00 0.00 C ATOM 1125 O SER A 77 -5.326 8.924 8.819 1.00 0.00 O ATOM 1126 CB SER A 77 -5.522 5.804 9.194 1.00 0.00 C ATOM 1127 OG SER A 77 -6.163 5.363 8.010 1.00 0.00 O ATOM 0 H SER A 77 -7.830 5.567 10.034 1.00 0.00 H new ATOM 0 HA SER A 77 -5.780 7.260 10.754 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.502 6.114 8.965 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.453 4.979 9.903 1.00 0.00 H new ATOM 0 HG SER A 77 -7.032 4.970 8.235 1.00 0.00 H new ATOM 1133 N SER A 78 -7.391 8.325 8.154 1.00 0.00 N ATOM 1134 CA SER A 78 -7.525 9.426 7.208 1.00 0.00 C ATOM 1135 C SER A 78 -7.696 10.753 7.940 1.00 0.00 C ATOM 1136 O SER A 78 -7.002 11.727 7.648 1.00 0.00 O ATOM 1137 CB SER A 78 -8.717 9.185 6.279 1.00 0.00 C ATOM 1138 OG SER A 78 -9.868 8.806 7.015 1.00 0.00 O ATOM 0 H SER A 78 -8.201 7.707 8.199 1.00 0.00 H new ATOM 0 HA SER A 78 -6.613 9.475 6.613 1.00 0.00 H new ATOM 0 HB2 SER A 78 -8.927 10.090 5.709 1.00 0.00 H new ATOM 0 HB3 SER A 78 -8.469 8.406 5.559 1.00 0.00 H new ATOM 0 HG SER A 78 -10.021 7.844 6.911 1.00 0.00 H new ATOM 1144 N GLN A 79 -8.623 10.783 8.891 1.00 0.00 N ATOM 1145 CA GLN A 79 -8.886 11.991 9.664 1.00 0.00 C ATOM 1146 C GLN A 79 -7.618 12.480 10.356 1.00 0.00 C ATOM 1147 O GLN A 79 -7.363 13.682 10.427 1.00 0.00 O ATOM 1148 CB GLN A 79 -9.979 11.730 10.702 1.00 0.00 C ATOM 1149 CG GLN A 79 -11.251 11.145 10.111 1.00 0.00 C ATOM 1150 CD GLN A 79 -12.478 11.452 10.946 1.00 0.00 C ATOM 1151 OE1 GLN A 79 -13.258 12.347 10.618 1.00 0.00 O ATOM 1152 NE2 GLN A 79 -12.656 10.710 12.033 1.00 0.00 N ATOM 0 H GLN A 79 -9.205 9.985 9.145 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.226 12.766 8.976 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.593 11.048 11.460 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.220 12.665 11.207 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.394 11.538 9.104 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -11.140 10.065 10.018 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -11.984 9.979 12.267 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -13.464 10.871 12.634 1.00 0.00 H new ATOM 1161 N GLU A 80 -6.827 11.541 10.866 1.00 0.00 N ATOM 1162 CA GLU A 80 -5.586 11.878 11.553 1.00 0.00 C ATOM 1163 C GLU A 80 -4.680 12.718 10.659 1.00 0.00 C ATOM 1164 O GLU A 80 -4.156 13.749 11.081 1.00 0.00 O ATOM 1165 CB GLU A 80 -4.856 10.605 11.987 1.00 0.00 C ATOM 1166 CG GLU A 80 -5.518 9.890 13.153 1.00 0.00 C ATOM 1167 CD GLU A 80 -5.076 10.434 14.497 1.00 0.00 C ATOM 1168 OE1 GLU A 80 -5.438 11.585 14.819 1.00 0.00 O ATOM 1169 OE2 GLU A 80 -4.369 9.708 15.228 1.00 0.00 O ATOM 0 H GLU A 80 -7.024 10.541 10.816 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.837 12.463 12.437 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.798 9.923 11.139 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.832 10.859 12.262 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.600 9.984 13.065 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.286 8.826 13.101 1.00 0.00 H new ATOM 1176 N ALA A 81 -4.499 12.270 9.421 1.00 0.00 N ATOM 1177 CA ALA A 81 -3.658 12.980 8.466 1.00 0.00 C ATOM 1178 C ALA A 81 -4.326 14.269 7.998 1.00 0.00 C ATOM 1179 O ALA A 81 -3.652 15.251 7.687 1.00 0.00 O ATOM 1180 CB ALA A 81 -3.338 12.087 7.277 1.00 0.00 C ATOM 0 H ALA A 81 -4.924 11.418 9.056 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.727 13.245 8.967 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.709 12.631 6.572 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.811 11.197 7.622 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.264 11.792 6.784 1.00 0.00 H new ATOM 1186 N ALA A 82 -5.654 14.258 7.949 1.00 0.00 N ATOM 1187 CA ALA A 82 -6.412 15.426 7.520 1.00 0.00 C ATOM 1188 C ALA A 82 -6.184 16.604 8.461 1.00 0.00 C ATOM 1189 O ALA A 82 -6.105 17.753 8.024 1.00 0.00 O ATOM 1190 CB ALA A 82 -7.895 15.092 7.440 1.00 0.00 C ATOM 0 H ALA A 82 -6.227 13.453 8.201 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.061 15.713 6.529 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -8.450 15.973 7.118 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.048 14.285 6.723 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -8.251 14.778 8.421 1.00 0.00 H new ATOM 1196 N SER A 83 -6.080 16.313 9.753 1.00 0.00 N ATOM 1197 CA SER A 83 -5.865 17.349 10.756 1.00 0.00 C ATOM 1198 C SER A 83 -4.376 17.551 11.019 1.00 0.00 C ATOM 1199 O SER A 83 -3.883 18.679 11.027 1.00 0.00 O ATOM 1200 CB SER A 83 -6.580 16.984 12.059 1.00 0.00 C ATOM 1201 OG SER A 83 -6.615 18.087 12.948 1.00 0.00 O ATOM 0 H SER A 83 -6.141 15.367 10.130 1.00 0.00 H new ATOM 0 HA SER A 83 -6.278 18.282 10.372 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.596 16.657 11.840 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.071 16.146 12.534 1.00 0.00 H new ATOM 0 HG SER A 83 -7.078 17.828 13.772 1.00 0.00 H new ATOM 1207 N SER A 84 -3.665 16.449 11.233 1.00 0.00 N ATOM 1208 CA SER A 84 -2.232 16.503 11.500 1.00 0.00 C ATOM 1209 C SER A 84 -1.526 17.404 10.491 1.00 0.00 C ATOM 1210 O SER A 84 -1.113 18.517 10.818 1.00 0.00 O ATOM 1211 CB SER A 84 -1.630 15.098 11.454 1.00 0.00 C ATOM 1212 OG SER A 84 -1.959 14.364 12.621 1.00 0.00 O ATOM 0 H SER A 84 -4.058 15.508 11.227 1.00 0.00 H new ATOM 0 HA SER A 84 -2.088 16.920 12.497 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.997 14.571 10.573 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.546 15.166 11.357 1.00 0.00 H new ATOM 0 HG SER A 84 -2.817 13.910 12.490 1.00 0.00 H new ATOM 1218 N PHE A 85 -1.390 16.915 9.263 1.00 0.00 N ATOM 1219 CA PHE A 85 -0.733 17.674 8.206 1.00 0.00 C ATOM 1220 C PHE A 85 -1.741 18.530 7.443 1.00 0.00 C ATOM 1221 O PHE A 85 -1.539 19.729 7.259 1.00 0.00 O ATOM 1222 CB PHE A 85 -0.015 16.729 7.240 1.00 0.00 C ATOM 1223 CG PHE A 85 1.069 15.918 7.890 1.00 0.00 C ATOM 1224 CD1 PHE A 85 0.767 14.743 8.559 1.00 0.00 C ATOM 1225 CD2 PHE A 85 2.390 16.330 7.831 1.00 0.00 C ATOM 1226 CE1 PHE A 85 1.763 13.995 9.159 1.00 0.00 C ATOM 1227 CE2 PHE A 85 3.391 15.586 8.428 1.00 0.00 C ATOM 1228 CZ PHE A 85 3.076 14.417 9.092 1.00 0.00 C ATOM 0 H PHE A 85 -1.726 15.996 8.975 1.00 0.00 H new ATOM 0 HA PHE A 85 0.000 18.334 8.670 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.746 16.054 6.795 1.00 0.00 H new ATOM 0 HB3 PHE A 85 0.417 17.313 6.427 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.258 14.407 8.612 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.641 17.243 7.312 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.514 13.082 9.679 1.00 0.00 H new ATOM 0 HE2 PHE A 85 4.417 15.919 8.375 1.00 0.00 H new ATOM 0 HZ PHE A 85 3.856 13.833 9.558 1.00 0.00 H new ATOM 1238 N GLY A 86 -2.827 17.902 7.002 1.00 0.00 N ATOM 1239 CA GLY A 86 -3.850 18.620 6.264 1.00 0.00 C ATOM 1240 C GLY A 86 -4.553 17.743 5.247 1.00 0.00 C ATOM 1241 O GLY A 86 -5.749 17.901 5.003 1.00 0.00 O ATOM 0 H GLY A 86 -3.016 16.910 7.143 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.584 19.021 6.963 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.397 19.471 5.755 1.00 0.00 H new ATOM 1245 N ASP A 87 -3.809 16.818 4.651 1.00 0.00 N ATOM 1246 CA ASP A 87 -4.368 15.914 3.653 1.00 0.00 C ATOM 1247 C ASP A 87 -4.694 14.558 4.271 1.00 0.00 C ATOM 1248 O ASP A 87 -4.168 14.202 5.325 1.00 0.00 O ATOM 1249 CB ASP A 87 -3.391 15.736 2.490 1.00 0.00 C ATOM 1250 CG ASP A 87 -4.098 15.453 1.178 1.00 0.00 C ATOM 1251 OD1 ASP A 87 -5.042 14.636 1.178 1.00 0.00 O ATOM 1252 OD2 ASP A 87 -3.706 16.047 0.152 1.00 0.00 O ATOM 0 H ASP A 87 -2.817 16.675 4.842 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.292 16.354 3.277 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.786 16.637 2.386 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.708 14.917 2.715 1.00 0.00 H new ATOM 1257 N ASP A 88 -5.566 13.806 3.608 1.00 0.00 N ATOM 1258 CA ASP A 88 -5.963 12.489 4.092 1.00 0.00 C ATOM 1259 C ASP A 88 -5.134 11.393 3.429 1.00 0.00 C ATOM 1260 O ASP A 88 -5.288 10.212 3.738 1.00 0.00 O ATOM 1261 CB ASP A 88 -7.450 12.251 3.827 1.00 0.00 C ATOM 1262 CG ASP A 88 -7.749 12.034 2.356 1.00 0.00 C ATOM 1263 OD1 ASP A 88 -6.920 12.443 1.516 1.00 0.00 O ATOM 1264 OD2 ASP A 88 -8.810 11.456 2.045 1.00 0.00 O ATOM 0 H ASP A 88 -6.011 14.086 2.734 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.784 12.456 5.167 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.783 11.382 4.394 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.022 13.106 4.189 1.00 0.00 H new ATOM 1269 N ARG A 89 -4.255 11.794 2.516 1.00 0.00 N ATOM 1270 CA ARG A 89 -3.403 10.847 1.807 1.00 0.00 C ATOM 1271 C ARG A 89 -2.918 9.746 2.745 1.00 0.00 C ATOM 1272 O ARG A 89 -2.099 9.988 3.633 1.00 0.00 O ATOM 1273 CB ARG A 89 -2.206 11.570 1.188 1.00 0.00 C ATOM 1274 CG ARG A 89 -2.590 12.585 0.124 1.00 0.00 C ATOM 1275 CD ARG A 89 -1.400 12.957 -0.747 1.00 0.00 C ATOM 1276 NE ARG A 89 -1.634 14.189 -1.495 1.00 0.00 N ATOM 1277 CZ ARG A 89 -0.674 14.862 -2.120 1.00 0.00 C ATOM 1278 NH1 ARG A 89 0.577 14.424 -2.087 1.00 0.00 N ATOM 1279 NH2 ARG A 89 -0.965 15.976 -2.780 1.00 0.00 N ATOM 0 H ARG A 89 -4.114 12.769 2.250 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.992 10.390 1.012 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.651 12.076 1.977 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.534 10.832 0.749 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.385 12.177 -0.500 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.987 13.481 0.601 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.515 13.075 -0.121 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.192 12.144 -1.443 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.586 14.553 -1.540 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.805 13.568 -1.581 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.312 14.943 -2.568 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.926 16.316 -2.808 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.227 16.492 -3.260 1.00 0.00 H new ATOM 1293 N LEU A 90 -3.427 8.536 2.542 1.00 0.00 N ATOM 1294 CA LEU A 90 -3.046 7.396 3.370 1.00 0.00 C ATOM 1295 C LEU A 90 -2.057 6.497 2.635 1.00 0.00 C ATOM 1296 O LEU A 90 -1.742 6.726 1.467 1.00 0.00 O ATOM 1297 CB LEU A 90 -4.285 6.593 3.769 1.00 0.00 C ATOM 1298 CG LEU A 90 -5.188 7.232 4.825 1.00 0.00 C ATOM 1299 CD1 LEU A 90 -6.326 6.293 5.193 1.00 0.00 C ATOM 1300 CD2 LEU A 90 -4.381 7.606 6.060 1.00 0.00 C ATOM 0 H LEU A 90 -4.105 8.318 1.811 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.563 7.777 4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.879 6.411 2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.960 5.621 4.138 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.617 8.142 4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.958 6.765 5.946 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.920 6.075 4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.917 5.365 5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.039 8.059 6.801 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.923 6.711 6.481 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.602 8.316 5.784 1.00 0.00 H new ATOM 1312 N LEU A 91 -1.573 5.471 3.327 1.00 0.00 N ATOM 1313 CA LEU A 91 -0.621 4.534 2.740 1.00 0.00 C ATOM 1314 C LEU A 91 -0.883 3.113 3.230 1.00 0.00 C ATOM 1315 O LEU A 91 -1.510 2.911 4.270 1.00 0.00 O ATOM 1316 CB LEU A 91 0.811 4.949 3.082 1.00 0.00 C ATOM 1317 CG LEU A 91 1.346 6.180 2.351 1.00 0.00 C ATOM 1318 CD1 LEU A 91 2.779 6.469 2.770 1.00 0.00 C ATOM 1319 CD2 LEU A 91 1.257 5.987 0.844 1.00 0.00 C ATOM 0 H LEU A 91 -1.824 5.267 4.294 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.749 4.554 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.868 5.135 4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.472 4.109 2.869 1.00 0.00 H new ATOM 0 HG LEU A 91 0.730 7.037 2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.143 7.349 2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.814 6.653 3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.409 5.613 2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.642 6.873 0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.848 5.119 0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.217 5.831 0.558 1.00 0.00 H new ATOM 1331 N ILE A 92 -0.396 2.134 2.476 1.00 0.00 N ATOM 1332 CA ILE A 92 -0.574 0.732 2.837 1.00 0.00 C ATOM 1333 C ILE A 92 0.687 -0.074 2.546 1.00 0.00 C ATOM 1334 O ILE A 92 1.185 -0.082 1.421 1.00 0.00 O ATOM 1335 CB ILE A 92 -1.758 0.103 2.080 1.00 0.00 C ATOM 1336 CG1 ILE A 92 -2.989 1.006 2.173 1.00 0.00 C ATOM 1337 CG2 ILE A 92 -2.066 -1.280 2.635 1.00 0.00 C ATOM 1338 CD1 ILE A 92 -4.222 0.417 1.524 1.00 0.00 C ATOM 0 H ILE A 92 0.125 2.285 1.612 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.781 0.704 3.907 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.485 -0.000 1.030 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.202 1.208 3.223 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.763 1.963 1.703 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.905 -1.712 2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.191 -1.921 2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.322 -1.199 3.691 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.055 1.112 1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.027 0.240 0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.473 -0.526 2.009 1.00 0.00 H new ATOM 1350 N GLU A 93 1.197 -0.754 3.569 1.00 0.00 N ATOM 1351 CA GLU A 93 2.400 -1.565 3.423 1.00 0.00 C ATOM 1352 C GLU A 93 2.201 -2.949 4.035 1.00 0.00 C ATOM 1353 O GLU A 93 1.441 -3.115 4.990 1.00 0.00 O ATOM 1354 CB GLU A 93 3.593 -0.871 4.081 1.00 0.00 C ATOM 1355 CG GLU A 93 4.177 0.258 3.248 1.00 0.00 C ATOM 1356 CD GLU A 93 5.187 -0.231 2.228 1.00 0.00 C ATOM 1357 OE1 GLU A 93 4.960 -1.309 1.640 1.00 0.00 O ATOM 1358 OE2 GLU A 93 6.204 0.463 2.019 1.00 0.00 O ATOM 0 H GLU A 93 0.796 -0.759 4.507 1.00 0.00 H new ATOM 0 HA GLU A 93 2.600 -1.683 2.358 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.284 -0.475 5.048 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.371 -1.609 4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.370 0.780 2.733 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.655 0.982 3.908 1.00 0.00 H new ATOM 1365 N LYS A 94 2.888 -3.940 3.479 1.00 0.00 N ATOM 1366 CA LYS A 94 2.789 -5.310 3.968 1.00 0.00 C ATOM 1367 C LYS A 94 3.253 -5.404 5.419 1.00 0.00 C ATOM 1368 O LYS A 94 4.302 -4.872 5.781 1.00 0.00 O ATOM 1369 CB LYS A 94 3.624 -6.248 3.093 1.00 0.00 C ATOM 1370 CG LYS A 94 3.726 -7.661 3.641 1.00 0.00 C ATOM 1371 CD LYS A 94 2.475 -8.468 3.337 1.00 0.00 C ATOM 1372 CE LYS A 94 2.758 -9.962 3.355 1.00 0.00 C ATOM 1373 NZ LYS A 94 2.652 -10.531 4.727 1.00 0.00 N ATOM 0 H LYS A 94 3.521 -3.820 2.688 1.00 0.00 H new ATOM 0 HA LYS A 94 1.743 -5.612 3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.187 -6.285 2.095 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.627 -5.835 2.987 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.595 -8.158 3.209 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.883 -7.624 4.719 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.703 -8.234 4.070 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.085 -8.182 2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.056 -10.472 2.695 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.758 -10.147 2.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.450 -11.176 4.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.673 -9.760 5.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.758 -11.055 4.817 1.00 0.00 H new ATOM 1387 N PHE A 95 2.465 -6.085 6.244 1.00 0.00 N ATOM 1388 CA PHE A 95 2.795 -6.249 7.655 1.00 0.00 C ATOM 1389 C PHE A 95 3.270 -7.671 7.940 1.00 0.00 C ATOM 1390 O PHE A 95 2.482 -8.616 7.915 1.00 0.00 O ATOM 1391 CB PHE A 95 1.581 -5.921 8.526 1.00 0.00 C ATOM 1392 CG PHE A 95 1.847 -6.048 9.999 1.00 0.00 C ATOM 1393 CD1 PHE A 95 1.825 -7.288 10.615 1.00 0.00 C ATOM 1394 CD2 PHE A 95 2.121 -4.927 10.766 1.00 0.00 C ATOM 1395 CE1 PHE A 95 2.069 -7.408 11.970 1.00 0.00 C ATOM 1396 CE2 PHE A 95 2.367 -5.041 12.122 1.00 0.00 C ATOM 1397 CZ PHE A 95 2.342 -6.283 12.724 1.00 0.00 C ATOM 0 H PHE A 95 1.593 -6.532 5.960 1.00 0.00 H new ATOM 0 HA PHE A 95 3.603 -5.559 7.896 1.00 0.00 H new ATOM 0 HB2 PHE A 95 1.254 -4.904 8.311 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.760 -6.584 8.255 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.615 -8.171 10.030 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.143 -3.953 10.299 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.046 -8.381 12.439 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.578 -4.160 12.709 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.536 -6.375 13.783 1.00 0.00 H new ATOM 1407 N ILE A 96 4.563 -7.812 8.211 1.00 0.00 N ATOM 1408 CA ILE A 96 5.144 -9.117 8.502 1.00 0.00 C ATOM 1409 C ILE A 96 5.846 -9.117 9.855 1.00 0.00 C ATOM 1410 O ILE A 96 6.852 -8.433 10.044 1.00 0.00 O ATOM 1411 CB ILE A 96 6.149 -9.541 7.415 1.00 0.00 C ATOM 1412 CG1 ILE A 96 5.589 -9.234 6.024 1.00 0.00 C ATOM 1413 CG2 ILE A 96 6.477 -11.021 7.544 1.00 0.00 C ATOM 1414 CD1 ILE A 96 6.582 -9.468 4.908 1.00 0.00 C ATOM 0 H ILE A 96 5.228 -7.039 8.235 1.00 0.00 H new ATOM 0 HA ILE A 96 4.321 -9.831 8.523 1.00 0.00 H new ATOM 0 HB ILE A 96 7.069 -8.972 7.550 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.708 -9.852 5.851 1.00 0.00 H new ATOM 0 HG13 ILE A 96 5.260 -8.195 5.995 1.00 0.00 H new ATOM 0 HG21 ILE A 96 7.188 -11.305 6.769 1.00 0.00 H new ATOM 0 HG22 ILE A 96 6.913 -11.213 8.524 1.00 0.00 H new ATOM 0 HG23 ILE A 96 5.565 -11.607 7.432 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.117 -9.230 3.951 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.453 -8.830 5.056 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.893 -10.513 4.911 1.00 0.00 H new