USER MOD reduce.3.24.130724 H: found=0, std=0, add=268, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 270 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 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 79:sc= 0.983 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 422 N PHE A 29 8.548 -8.738 -1.722 1.00 0.00 N ATOM 423 CA PHE A 29 8.137 -7.368 -1.467 1.00 0.00 C ATOM 424 C PHE A 29 8.960 -6.384 -2.301 1.00 0.00 C ATOM 425 O PHE A 29 8.646 -5.196 -2.354 1.00 0.00 O ATOM 426 CB PHE A 29 8.387 -7.094 0.017 1.00 0.00 C ATOM 427 CG PHE A 29 9.835 -6.723 0.346 1.00 0.00 C ATOM 428 CD1 PHE A 29 10.255 -5.437 0.208 1.00 0.00 C ATOM 429 CD2 PHE A 29 10.701 -7.679 0.777 1.00 0.00 C ATOM 430 CE1 PHE A 29 11.599 -5.092 0.513 1.00 0.00 C ATOM 431 CE2 PHE A 29 12.044 -7.334 1.082 1.00 0.00 C ATOM 432 CZ PHE A 29 12.465 -6.048 0.943 1.00 0.00 C ATOM 0 HA PHE A 29 7.088 -7.239 -1.733 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.733 -6.285 0.342 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.110 -7.978 0.591 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.567 -4.678 -0.133 1.00 0.00 H new ATOM 0 HD2 PHE A 29 10.367 -8.700 0.887 1.00 0.00 H new ATOM 0 HE1 PHE A 29 11.933 -4.071 0.403 1.00 0.00 H new ATOM 0 HE2 PHE A 29 12.732 -8.093 1.425 1.00 0.00 H new ATOM 0 HZ PHE A 29 13.487 -5.786 1.174 1.00 0.00 H new ATOM 442 N VAL A 30 9.998 -6.915 -2.931 1.00 0.00 N ATOM 443 CA VAL A 30 10.868 -6.099 -3.759 1.00 0.00 C ATOM 444 C VAL A 30 10.015 -5.229 -4.685 1.00 0.00 C ATOM 445 O VAL A 30 10.193 -4.013 -4.737 1.00 0.00 O ATOM 446 CB VAL A 30 11.855 -6.989 -4.517 1.00 0.00 C ATOM 447 CG1 VAL A 30 11.980 -6.550 -5.978 1.00 0.00 C ATOM 448 CG2 VAL A 30 13.222 -7.002 -3.830 1.00 0.00 C ATOM 0 H VAL A 30 10.256 -7.901 -2.884 1.00 0.00 H new ATOM 0 HA VAL A 30 11.464 -5.428 -3.141 1.00 0.00 H new ATOM 0 HB VAL A 30 11.464 -8.007 -4.505 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.688 -7.199 -6.494 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.006 -6.617 -6.463 1.00 0.00 H new ATOM 0 HG13 VAL A 30 12.336 -5.520 -6.019 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.904 -7.642 -4.389 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.622 -5.988 -3.795 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.115 -7.385 -2.815 1.00 0.00 H new ATOM 458 N PRO A 31 9.084 -5.903 -5.411 1.00 0.00 N ATOM 459 CA PRO A 31 8.203 -5.205 -6.332 1.00 0.00 C ATOM 460 C PRO A 31 7.113 -4.443 -5.576 1.00 0.00 C ATOM 461 O PRO A 31 6.499 -3.527 -6.121 1.00 0.00 O ATOM 462 CB PRO A 31 7.648 -6.288 -7.243 1.00 0.00 C ATOM 463 CG PRO A 31 7.872 -7.602 -6.513 1.00 0.00 C ATOM 464 CD PRO A 31 8.845 -7.343 -5.375 1.00 0.00 C ATOM 0 HA PRO A 31 8.721 -4.442 -6.913 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.588 -6.127 -7.441 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.156 -6.285 -8.207 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.929 -7.990 -6.128 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.272 -8.353 -7.194 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.425 -7.651 -4.417 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.771 -7.901 -5.511 1.00 0.00 H new ATOM 472 N VAL A 32 6.905 -4.850 -4.332 1.00 0.00 N ATOM 473 CA VAL A 32 5.899 -4.217 -3.496 1.00 0.00 C ATOM 474 C VAL A 32 6.373 -2.815 -3.108 1.00 0.00 C ATOM 475 O VAL A 32 5.603 -1.858 -3.164 1.00 0.00 O ATOM 476 CB VAL A 32 5.593 -5.101 -2.285 1.00 0.00 C ATOM 477 CG1 VAL A 32 4.625 -4.404 -1.328 1.00 0.00 C ATOM 478 CG2 VAL A 32 5.047 -6.461 -2.723 1.00 0.00 C ATOM 0 H VAL A 32 7.416 -5.610 -3.883 1.00 0.00 H new ATOM 0 HA VAL A 32 4.963 -4.104 -4.044 1.00 0.00 H new ATOM 0 HB VAL A 32 6.527 -5.272 -1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.424 -5.054 -0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.068 -3.472 -0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.691 -4.189 -1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.838 -7.070 -1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.128 -6.318 -3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.785 -6.966 -3.346 1.00 0.00 H new ATOM 488 N GLY A 33 7.639 -2.738 -2.723 1.00 0.00 N ATOM 489 CA GLY A 33 8.225 -1.469 -2.326 1.00 0.00 C ATOM 490 C GLY A 33 8.513 -0.593 -3.546 1.00 0.00 C ATOM 491 O GLY A 33 8.264 0.612 -3.523 1.00 0.00 O ATOM 0 H GLY A 33 8.275 -3.534 -2.678 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.547 -0.947 -1.651 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.149 -1.647 -1.776 1.00 0.00 H new ATOM 495 N ILE A 34 9.034 -1.231 -4.584 1.00 0.00 N ATOM 496 CA ILE A 34 9.359 -0.524 -5.811 1.00 0.00 C ATOM 497 C ILE A 34 8.080 0.066 -6.408 1.00 0.00 C ATOM 498 O ILE A 34 7.931 1.285 -6.482 1.00 0.00 O ATOM 499 CB ILE A 34 10.120 -1.441 -6.772 1.00 0.00 C ATOM 500 CG1 ILE A 34 11.552 -1.676 -6.287 1.00 0.00 C ATOM 501 CG2 ILE A 34 10.081 -0.892 -8.199 1.00 0.00 C ATOM 502 CD1 ILE A 34 12.329 -0.359 -6.212 1.00 0.00 C ATOM 0 H ILE A 34 9.239 -2.230 -4.600 1.00 0.00 H new ATOM 0 HA ILE A 34 10.029 0.310 -5.604 1.00 0.00 H new ATOM 0 HB ILE A 34 9.622 -2.410 -6.786 1.00 0.00 H new ATOM 0 HG12 ILE A 34 11.534 -2.148 -5.305 1.00 0.00 H new ATOM 0 HG13 ILE A 34 12.060 -2.364 -6.962 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.629 -1.562 -8.862 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.046 -0.818 -8.532 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.541 0.096 -8.221 1.00 0.00 H new ATOM 0 HD11 ILE A 34 13.344 -0.554 -5.865 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.366 0.099 -7.201 1.00 0.00 H new ATOM 0 HD13 ILE A 34 11.832 0.318 -5.517 1.00 0.00 H new ATOM 514 N ALA A 35 7.191 -0.825 -6.820 1.00 0.00 N ATOM 515 CA ALA A 35 5.930 -0.408 -7.408 1.00 0.00 C ATOM 516 C ALA A 35 5.143 0.415 -6.386 1.00 0.00 C ATOM 517 O ALA A 35 4.740 1.542 -6.669 1.00 0.00 O ATOM 518 CB ALA A 35 5.156 -1.638 -7.885 1.00 0.00 C ATOM 0 H ALA A 35 7.319 -1.835 -6.758 1.00 0.00 H new ATOM 0 HA ALA A 35 6.104 0.225 -8.278 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.210 -1.324 -8.326 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.745 -2.172 -8.631 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.961 -2.296 -7.038 1.00 0.00 H new ATOM 524 N GLY A 36 4.948 -0.180 -5.218 1.00 0.00 N ATOM 525 CA GLY A 36 4.217 0.484 -4.153 1.00 0.00 C ATOM 526 C GLY A 36 4.688 1.930 -3.982 1.00 0.00 C ATOM 527 O GLY A 36 3.884 2.859 -4.032 1.00 0.00 O ATOM 0 H GLY A 36 5.284 -1.115 -4.986 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.150 0.469 -4.376 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.355 -0.060 -3.219 1.00 0.00 H new ATOM 531 N PHE A 37 5.990 2.075 -3.784 1.00 0.00 N ATOM 532 CA PHE A 37 6.578 3.391 -3.606 1.00 0.00 C ATOM 533 C PHE A 37 6.201 4.321 -4.761 1.00 0.00 C ATOM 534 O PHE A 37 5.754 5.445 -4.538 1.00 0.00 O ATOM 535 CB PHE A 37 8.097 3.205 -3.592 1.00 0.00 C ATOM 536 CG PHE A 37 8.885 4.516 -3.623 1.00 0.00 C ATOM 537 CD1 PHE A 37 9.136 5.186 -2.466 1.00 0.00 C ATOM 538 CD2 PHE A 37 9.336 5.011 -4.807 1.00 0.00 C ATOM 539 CE1 PHE A 37 9.867 6.402 -2.494 1.00 0.00 C ATOM 540 CE2 PHE A 37 10.067 6.228 -4.835 1.00 0.00 C ATOM 541 CZ PHE A 37 10.318 6.897 -3.678 1.00 0.00 C ATOM 0 H PHE A 37 6.654 1.302 -3.743 1.00 0.00 H new ATOM 0 HA PHE A 37 6.214 3.838 -2.681 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.376 2.646 -2.699 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.386 2.599 -4.450 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.779 4.792 -1.526 1.00 0.00 H new ATOM 0 HD2 PHE A 37 9.138 4.479 -5.726 1.00 0.00 H new ATOM 0 HE1 PHE A 37 10.065 6.934 -1.575 1.00 0.00 H new ATOM 0 HE2 PHE A 37 10.424 6.622 -5.775 1.00 0.00 H new ATOM 0 HZ PHE A 37 10.876 7.822 -3.699 1.00 0.00 H new ATOM 551 N ALA A 38 6.395 3.818 -5.971 1.00 0.00 N ATOM 552 CA ALA A 38 6.081 4.589 -7.162 1.00 0.00 C ATOM 553 C ALA A 38 4.624 5.052 -7.095 1.00 0.00 C ATOM 554 O ALA A 38 4.326 6.214 -7.365 1.00 0.00 O ATOM 555 CB ALA A 38 6.368 3.747 -8.407 1.00 0.00 C ATOM 0 H ALA A 38 6.766 2.885 -6.153 1.00 0.00 H new ATOM 0 HA ALA A 38 6.708 5.479 -7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.132 4.326 -9.300 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.422 3.468 -8.423 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.755 2.846 -8.386 1.00 0.00 H new ATOM 561 N ALA A 39 3.756 4.119 -6.732 1.00 0.00 N ATOM 562 CA ALA A 39 2.338 4.418 -6.625 1.00 0.00 C ATOM 563 C ALA A 39 2.131 5.530 -5.595 1.00 0.00 C ATOM 564 O ALA A 39 1.608 6.594 -5.922 1.00 0.00 O ATOM 565 CB ALA A 39 1.573 3.142 -6.268 1.00 0.00 C ATOM 0 H ALA A 39 4.007 3.156 -6.508 1.00 0.00 H new ATOM 0 HA ALA A 39 1.948 4.776 -7.578 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.509 3.366 -6.188 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.729 2.395 -7.046 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.935 2.755 -5.316 1.00 0.00 H new ATOM 571 N ILE A 40 2.552 5.245 -4.372 1.00 0.00 N ATOM 572 CA ILE A 40 2.419 6.208 -3.292 1.00 0.00 C ATOM 573 C ILE A 40 2.772 7.603 -3.812 1.00 0.00 C ATOM 574 O ILE A 40 1.984 8.537 -3.676 1.00 0.00 O ATOM 575 CB ILE A 40 3.250 5.774 -2.082 1.00 0.00 C ATOM 576 CG1 ILE A 40 2.735 4.452 -1.509 1.00 0.00 C ATOM 577 CG2 ILE A 40 3.296 6.878 -1.024 1.00 0.00 C ATOM 578 CD1 ILE A 40 3.767 3.821 -0.573 1.00 0.00 C ATOM 0 H ILE A 40 2.985 4.361 -4.105 1.00 0.00 H new ATOM 0 HA ILE A 40 1.387 6.249 -2.943 1.00 0.00 H new ATOM 0 HB ILE A 40 4.274 5.604 -2.414 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.805 4.624 -0.967 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.507 3.763 -2.322 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.893 6.544 -0.175 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.745 7.774 -1.453 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.283 7.104 -0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.376 2.883 -0.180 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.688 3.628 -1.124 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.974 4.502 0.252 1.00 0.00 H new ATOM 590 N VAL A 41 3.957 7.699 -4.396 1.00 0.00 N ATOM 591 CA VAL A 41 4.424 8.964 -4.937 1.00 0.00 C ATOM 592 C VAL A 41 3.349 9.549 -5.856 1.00 0.00 C ATOM 593 O VAL A 41 3.004 10.724 -5.743 1.00 0.00 O ATOM 594 CB VAL A 41 5.769 8.769 -5.640 1.00 0.00 C ATOM 595 CG1 VAL A 41 6.072 9.938 -6.579 1.00 0.00 C ATOM 596 CG2 VAL A 41 6.896 8.575 -4.624 1.00 0.00 C ATOM 0 H VAL A 41 4.608 6.921 -4.506 1.00 0.00 H new ATOM 0 HA VAL A 41 4.593 9.682 -4.135 1.00 0.00 H new ATOM 0 HB VAL A 41 5.703 7.864 -6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.033 9.774 -7.066 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.290 10.009 -7.335 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.109 10.865 -6.006 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.841 8.439 -5.150 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.962 9.453 -3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.689 7.695 -4.015 1.00 0.00 H new ATOM 606 N ALA A 42 2.850 8.702 -6.744 1.00 0.00 N ATOM 607 CA ALA A 42 1.821 9.120 -7.681 1.00 0.00 C ATOM 608 C ALA A 42 0.625 9.674 -6.904 1.00 0.00 C ATOM 609 O ALA A 42 0.254 10.835 -7.074 1.00 0.00 O ATOM 610 CB ALA A 42 1.438 7.941 -8.578 1.00 0.00 C ATOM 0 H ALA A 42 3.139 7.728 -6.835 1.00 0.00 H new ATOM 0 HA ALA A 42 2.191 9.915 -8.328 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.666 8.254 -9.281 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.315 7.603 -9.129 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.059 7.124 -7.963 1.00 0.00 H new ATOM 616 N TYR A 43 0.054 8.818 -6.070 1.00 0.00 N ATOM 617 CA TYR A 43 -1.093 9.208 -5.267 1.00 0.00 C ATOM 618 C TYR A 43 -0.865 10.570 -4.610 1.00 0.00 C ATOM 619 O TYR A 43 -1.619 11.512 -4.848 1.00 0.00 O ATOM 620 CB TYR A 43 -1.224 8.144 -4.175 1.00 0.00 C ATOM 621 CG TYR A 43 -2.395 7.180 -4.382 1.00 0.00 C ATOM 622 CD1 TYR A 43 -2.222 6.037 -5.136 1.00 0.00 C ATOM 623 CD2 TYR A 43 -3.623 7.455 -3.815 1.00 0.00 C ATOM 624 CE1 TYR A 43 -3.324 5.130 -5.331 1.00 0.00 C ATOM 625 CE2 TYR A 43 -4.724 6.548 -4.010 1.00 0.00 C ATOM 626 CZ TYR A 43 -4.520 5.430 -4.758 1.00 0.00 C ATOM 627 OH TYR A 43 -5.561 4.574 -4.942 1.00 0.00 O ATOM 0 H TYR A 43 0.364 7.856 -5.933 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.987 9.285 -5.886 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.298 7.570 -4.128 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.341 8.640 -3.211 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.261 5.823 -5.580 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.758 8.350 -3.226 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.203 4.232 -5.919 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.690 6.751 -3.572 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.352 4.915 -4.474 1.00 0.00 H new ATOM 637 N GLY A 44 0.179 10.632 -3.796 1.00 0.00 N ATOM 638 CA GLY A 44 0.516 11.864 -3.103 1.00 0.00 C ATOM 639 C GLY A 44 0.566 13.044 -4.075 1.00 0.00 C ATOM 640 O GLY A 44 -0.177 14.012 -3.922 1.00 0.00 O ATOM 0 H GLY A 44 0.803 9.849 -3.601 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.221 12.061 -2.324 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.481 11.755 -2.608 1.00 0.00 H new ATOM 644 N LEU A 45 1.451 12.924 -5.055 1.00 0.00 N ATOM 645 CA LEU A 45 1.608 13.969 -6.052 1.00 0.00 C ATOM 646 C LEU A 45 0.229 14.485 -6.466 1.00 0.00 C ATOM 647 O LEU A 45 -0.005 15.693 -6.490 1.00 0.00 O ATOM 648 CB LEU A 45 2.455 13.468 -7.224 1.00 0.00 C ATOM 649 CG LEU A 45 3.881 14.016 -7.304 1.00 0.00 C ATOM 650 CD1 LEU A 45 4.767 13.401 -6.219 1.00 0.00 C ATOM 651 CD2 LEU A 45 4.466 13.818 -8.704 1.00 0.00 C ATOM 0 H LEU A 45 2.066 12.120 -5.179 1.00 0.00 H new ATOM 0 HA LEU A 45 2.153 14.816 -5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.507 12.381 -7.170 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.939 13.716 -8.152 1.00 0.00 H new ATOM 0 HG LEU A 45 3.846 15.090 -7.119 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.775 13.808 -6.299 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.357 13.637 -5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.801 12.319 -6.347 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.480 14.216 -8.734 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.486 12.755 -8.943 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.849 14.342 -9.434 1.00 0.00 H new ATOM 663 N TYR A 46 -0.649 13.545 -6.782 1.00 0.00 N ATOM 664 CA TYR A 46 -1.999 13.889 -7.194 1.00 0.00 C ATOM 665 C TYR A 46 -2.804 14.452 -6.021 1.00 0.00 C ATOM 666 O TYR A 46 -3.484 15.467 -6.160 1.00 0.00 O ATOM 667 CB TYR A 46 -2.645 12.582 -7.659 1.00 0.00 C ATOM 668 CG TYR A 46 -3.756 12.771 -8.694 1.00 0.00 C ATOM 669 CD1 TYR A 46 -4.977 13.286 -8.309 1.00 0.00 C ATOM 670 CD2 TYR A 46 -3.537 12.426 -10.012 1.00 0.00 C ATOM 671 CE1 TYR A 46 -6.023 13.464 -9.283 1.00 0.00 C ATOM 672 CE2 TYR A 46 -4.582 12.603 -10.986 1.00 0.00 C ATOM 673 CZ TYR A 46 -5.774 13.113 -10.574 1.00 0.00 C ATOM 674 OH TYR A 46 -6.761 13.281 -11.494 1.00 0.00 O ATOM 0 H TYR A 46 -0.452 12.544 -6.761 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.979 14.647 -7.977 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.874 11.938 -8.082 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.054 12.062 -6.793 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.148 13.556 -7.277 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.581 12.023 -10.313 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.983 13.867 -8.995 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.423 12.337 -12.021 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.442 12.989 -12.373 1.00 0.00 H new ATOM 684 N LYS A 47 -2.699 13.768 -4.891 1.00 0.00 N ATOM 685 CA LYS A 47 -3.408 14.187 -3.694 1.00 0.00 C ATOM 686 C LYS A 47 -3.087 15.654 -3.404 1.00 0.00 C ATOM 687 O LYS A 47 -3.938 16.394 -2.911 1.00 0.00 O ATOM 688 CB LYS A 47 -3.095 13.247 -2.529 1.00 0.00 C ATOM 689 CG LYS A 47 -3.687 11.857 -2.771 1.00 0.00 C ATOM 690 CD LYS A 47 -4.553 11.416 -1.590 1.00 0.00 C ATOM 691 CE LYS A 47 -5.548 10.333 -2.014 1.00 0.00 C ATOM 692 NZ LYS A 47 -5.849 9.433 -0.878 1.00 0.00 N ATOM 0 H LYS A 47 -2.134 12.926 -4.779 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.485 14.120 -3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.015 13.169 -2.400 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.497 13.661 -1.605 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.286 11.867 -3.682 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.883 11.137 -2.926 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.917 11.038 -0.790 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.093 12.274 -1.190 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.467 10.796 -2.373 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.137 9.757 -2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.525 8.704 -1.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.972 8.978 -0.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.261 9.984 -0.098 1.00 0.00 H new ATOM 706 N LEU A 48 -1.858 16.032 -3.722 1.00 0.00 N ATOM 707 CA LEU A 48 -1.414 17.398 -3.501 1.00 0.00 C ATOM 708 C LEU A 48 -2.518 18.365 -3.934 1.00 0.00 C ATOM 709 O LEU A 48 -3.205 18.944 -3.094 1.00 0.00 O ATOM 710 CB LEU A 48 -0.073 17.645 -4.196 1.00 0.00 C ATOM 711 CG LEU A 48 0.588 18.996 -3.917 1.00 0.00 C ATOM 712 CD1 LEU A 48 1.066 19.083 -2.466 1.00 0.00 C ATOM 713 CD2 LEU A 48 1.720 19.268 -4.910 1.00 0.00 C ATOM 0 H LEU A 48 -1.155 15.416 -4.131 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.234 17.573 -2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.618 16.856 -3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.221 17.551 -5.272 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.159 19.777 -4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.532 20.053 -2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.215 18.965 -1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.792 18.293 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.173 20.235 -4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.474 18.486 -4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.320 19.278 -5.924 1.00 0.00 H new ATOM 999 N VAL A 65 6.874 14.373 2.150 1.00 0.00 N ATOM 1000 CA VAL A 65 7.758 13.300 2.569 1.00 0.00 C ATOM 1001 C VAL A 65 7.433 12.910 4.012 1.00 0.00 C ATOM 1002 O VAL A 65 7.376 11.726 4.341 1.00 0.00 O ATOM 1003 CB VAL A 65 9.217 13.719 2.377 1.00 0.00 C ATOM 1004 CG1 VAL A 65 9.563 14.919 3.260 1.00 0.00 C ATOM 1005 CG2 VAL A 65 10.164 12.548 2.648 1.00 0.00 C ATOM 0 HA VAL A 65 7.604 12.415 1.951 1.00 0.00 H new ATOM 0 HB VAL A 65 9.345 14.020 1.337 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.606 15.197 3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.921 15.760 2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.410 14.657 4.307 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.195 12.873 2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.032 12.203 3.673 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.941 11.733 1.959 1.00 0.00 H new ATOM 1015 N ALA A 66 7.227 13.929 4.834 1.00 0.00 N ATOM 1016 CA ALA A 66 6.908 13.708 6.234 1.00 0.00 C ATOM 1017 C ALA A 66 5.773 12.687 6.340 1.00 0.00 C ATOM 1018 O ALA A 66 5.940 11.628 6.941 1.00 0.00 O ATOM 1019 CB ALA A 66 6.556 15.042 6.895 1.00 0.00 C ATOM 0 H ALA A 66 7.275 14.909 4.557 1.00 0.00 H new ATOM 0 HA ALA A 66 7.769 13.299 6.763 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.317 14.876 7.945 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.405 15.721 6.819 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.695 15.481 6.392 1.00 0.00 H new ATOM 1025 N ALA A 67 4.644 13.043 5.745 1.00 0.00 N ATOM 1026 CA ALA A 67 3.481 12.171 5.765 1.00 0.00 C ATOM 1027 C ALA A 67 3.881 10.784 5.258 1.00 0.00 C ATOM 1028 O ALA A 67 3.285 9.781 5.649 1.00 0.00 O ATOM 1029 CB ALA A 67 2.360 12.796 4.932 1.00 0.00 C ATOM 0 H ALA A 67 4.510 13.923 5.246 1.00 0.00 H new ATOM 0 HA ALA A 67 3.105 12.055 6.782 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.488 12.142 4.947 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.093 13.766 5.351 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.699 12.925 3.904 1.00 0.00 H new ATOM 1035 N GLN A 68 4.887 10.771 4.396 1.00 0.00 N ATOM 1036 CA GLN A 68 5.373 9.524 3.832 1.00 0.00 C ATOM 1037 C GLN A 68 6.092 8.701 4.903 1.00 0.00 C ATOM 1038 O GLN A 68 5.954 7.480 4.949 1.00 0.00 O ATOM 1039 CB GLN A 68 6.288 9.784 2.633 1.00 0.00 C ATOM 1040 CG GLN A 68 5.818 9.001 1.405 1.00 0.00 C ATOM 1041 CD GLN A 68 6.996 8.315 0.709 1.00 0.00 C ATOM 1042 OE1 GLN A 68 7.188 7.113 0.798 1.00 0.00 O ATOM 1043 NE2 GLN A 68 7.770 9.142 0.014 1.00 0.00 N ATOM 0 H GLN A 68 5.379 11.605 4.074 1.00 0.00 H new ATOM 0 HA GLN A 68 4.517 8.951 3.476 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.302 10.850 2.406 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.310 9.498 2.882 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.083 8.254 1.705 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.321 9.675 0.707 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.552 10.138 -0.019 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.582 8.781 -0.487 1.00 0.00 H new ATOM 1052 N GLY A 69 6.844 9.404 5.737 1.00 0.00 N ATOM 1053 CA GLY A 69 7.585 8.754 6.805 1.00 0.00 C ATOM 1054 C GLY A 69 6.636 8.145 7.839 1.00 0.00 C ATOM 1055 O GLY A 69 6.784 6.983 8.214 1.00 0.00 O ATOM 0 H GLY A 69 6.956 10.417 5.695 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.223 7.975 6.388 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.241 9.477 7.290 1.00 0.00 H new ATOM 1059 N PHE A 70 5.682 8.957 8.271 1.00 0.00 N ATOM 1060 CA PHE A 70 4.710 8.513 9.254 1.00 0.00 C ATOM 1061 C PHE A 70 3.913 7.314 8.735 1.00 0.00 C ATOM 1062 O PHE A 70 3.794 6.299 9.420 1.00 0.00 O ATOM 1063 CB PHE A 70 3.751 9.681 9.495 1.00 0.00 C ATOM 1064 CG PHE A 70 3.249 9.787 10.937 1.00 0.00 C ATOM 1065 CD1 PHE A 70 4.016 10.395 11.881 1.00 0.00 C ATOM 1066 CD2 PHE A 70 2.036 9.273 11.273 1.00 0.00 C ATOM 1067 CE1 PHE A 70 3.550 10.493 13.219 1.00 0.00 C ATOM 1068 CE2 PHE A 70 1.569 9.372 12.611 1.00 0.00 C ATOM 1069 CZ PHE A 70 2.336 9.979 13.555 1.00 0.00 C ATOM 0 H PHE A 70 5.562 9.920 7.958 1.00 0.00 H new ATOM 0 HA PHE A 70 5.219 8.209 10.169 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.252 10.611 9.226 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.894 9.577 8.829 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.979 10.803 11.613 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.428 8.790 10.523 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.159 10.975 13.969 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.605 8.965 12.878 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.981 10.053 14.572 1.00 0.00 H new ATOM 1079 N VAL A 71 3.388 7.471 7.529 1.00 0.00 N ATOM 1080 CA VAL A 71 2.606 6.414 6.910 1.00 0.00 C ATOM 1081 C VAL A 71 3.476 5.165 6.758 1.00 0.00 C ATOM 1082 O VAL A 71 3.116 4.091 7.239 1.00 0.00 O ATOM 1083 CB VAL A 71 2.025 6.903 5.582 1.00 0.00 C ATOM 1084 CG1 VAL A 71 1.718 5.727 4.652 1.00 0.00 C ATOM 1085 CG2 VAL A 71 0.778 7.760 5.812 1.00 0.00 C ATOM 0 H VAL A 71 3.489 8.314 6.964 1.00 0.00 H new ATOM 0 HA VAL A 71 1.759 6.145 7.541 1.00 0.00 H new ATOM 0 HB VAL A 71 2.776 7.527 5.097 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.306 6.102 3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.635 5.174 4.450 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.994 5.066 5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.385 8.095 4.852 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.021 7.170 6.328 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.039 8.627 6.419 1.00 0.00 H new ATOM 1095 N VAL A 72 4.604 5.346 6.086 1.00 0.00 N ATOM 1096 CA VAL A 72 5.528 4.246 5.865 1.00 0.00 C ATOM 1097 C VAL A 72 5.721 3.476 7.173 1.00 0.00 C ATOM 1098 O VAL A 72 5.757 2.247 7.174 1.00 0.00 O ATOM 1099 CB VAL A 72 6.841 4.775 5.284 1.00 0.00 C ATOM 1100 CG1 VAL A 72 8.006 3.844 5.625 1.00 0.00 C ATOM 1101 CG2 VAL A 72 6.727 4.981 3.772 1.00 0.00 C ATOM 0 H VAL A 72 4.899 6.237 5.688 1.00 0.00 H new ATOM 0 HA VAL A 72 5.122 3.547 5.134 1.00 0.00 H new ATOM 0 HB VAL A 72 7.043 5.744 5.740 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.927 4.243 5.200 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.108 3.770 6.708 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.814 2.854 5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.673 5.357 3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.490 4.031 3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.936 5.701 3.562 1.00 0.00 H new ATOM 1111 N GLY A 73 5.839 4.231 8.255 1.00 0.00 N ATOM 1112 CA GLY A 73 6.027 3.635 9.567 1.00 0.00 C ATOM 1113 C GLY A 73 4.839 2.746 9.940 1.00 0.00 C ATOM 1114 O GLY A 73 5.015 1.571 10.259 1.00 0.00 O ATOM 0 H GLY A 73 5.808 5.251 8.250 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.944 3.045 9.575 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.147 4.420 10.313 1.00 0.00 H new ATOM 1118 N ALA A 74 3.657 3.342 9.889 1.00 0.00 N ATOM 1119 CA ALA A 74 2.440 2.618 10.218 1.00 0.00 C ATOM 1120 C ALA A 74 2.345 1.366 9.345 1.00 0.00 C ATOM 1121 O ALA A 74 1.933 0.306 9.816 1.00 0.00 O ATOM 1122 CB ALA A 74 1.234 3.543 10.044 1.00 0.00 C ATOM 0 H ALA A 74 3.516 4.317 9.625 1.00 0.00 H new ATOM 0 HA ALA A 74 2.455 2.294 11.259 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.321 3.001 10.290 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.336 4.402 10.707 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.185 3.886 9.011 1.00 0.00 H new ATOM 1128 N MET A 75 2.732 1.528 8.088 1.00 0.00 N ATOM 1129 CA MET A 75 2.695 0.423 7.145 1.00 0.00 C ATOM 1130 C MET A 75 3.763 -0.620 7.481 1.00 0.00 C ATOM 1131 O MET A 75 3.567 -1.812 7.245 1.00 0.00 O ATOM 1132 CB MET A 75 2.927 0.953 5.729 1.00 0.00 C ATOM 1133 CG MET A 75 2.865 -0.180 4.702 1.00 0.00 C ATOM 1134 SD MET A 75 3.565 0.361 3.152 1.00 0.00 S ATOM 1135 CE MET A 75 5.087 -0.572 3.158 1.00 0.00 C ATOM 0 H MET A 75 3.073 2.408 7.701 1.00 0.00 H new ATOM 0 HA MET A 75 1.716 -0.053 7.209 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.175 1.706 5.491 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.898 1.444 5.675 1.00 0.00 H new ATOM 0 HG2 MET A 75 3.410 -1.048 5.073 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.831 -0.492 4.554 1.00 0.00 H new ATOM 0 HE1 MET A 75 5.652 -0.352 2.253 1.00 0.00 H new ATOM 0 HE2 MET A 75 5.679 -0.297 4.031 1.00 0.00 H new ATOM 0 HE3 MET A 75 4.860 -1.638 3.194 1.00 0.00 H new ATOM 1145 N THR A 76 4.868 -0.135 8.026 1.00 0.00 N ATOM 1146 CA THR A 76 5.967 -1.010 8.397 1.00 0.00 C ATOM 1147 C THR A 76 5.533 -1.971 9.506 1.00 0.00 C ATOM 1148 O THR A 76 5.709 -3.182 9.387 1.00 0.00 O ATOM 1149 CB THR A 76 7.160 -0.134 8.785 1.00 0.00 C ATOM 1150 OG1 THR A 76 7.697 0.294 7.536 1.00 0.00 O ATOM 1151 CG2 THR A 76 8.294 -0.938 9.423 1.00 0.00 C ATOM 0 H THR A 76 5.026 0.854 8.220 1.00 0.00 H new ATOM 0 HA THR A 76 6.268 -1.642 7.561 1.00 0.00 H new ATOM 0 HB THR A 76 6.831 0.641 9.477 1.00 0.00 H new ATOM 0 HG1 THR A 76 7.151 1.025 7.178 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.115 -0.269 9.679 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.930 -1.427 10.326 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.646 -1.692 8.719 1.00 0.00 H new ATOM 1159 N VAL A 77 4.973 -1.394 10.559 1.00 0.00 N ATOM 1160 CA VAL A 77 4.512 -2.184 11.688 1.00 0.00 C ATOM 1161 C VAL A 77 3.368 -3.093 11.236 1.00 0.00 C ATOM 1162 O VAL A 77 3.374 -4.290 11.518 1.00 0.00 O ATOM 1163 CB VAL A 77 4.122 -1.263 12.846 1.00 0.00 C ATOM 1164 CG1 VAL A 77 5.325 -0.450 13.330 1.00 0.00 C ATOM 1165 CG2 VAL A 77 2.964 -0.345 12.450 1.00 0.00 C ATOM 0 H VAL A 77 4.828 -0.389 10.654 1.00 0.00 H new ATOM 0 HA VAL A 77 5.312 -2.827 12.056 1.00 0.00 H new ATOM 0 HB VAL A 77 3.786 -1.889 13.673 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.020 0.196 14.153 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.108 -1.127 13.671 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.705 0.161 12.511 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.706 0.299 13.291 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.261 0.269 11.600 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.098 -0.948 12.177 1.00 0.00 H new ATOM 1175 N GLY A 78 2.415 -2.490 10.541 1.00 0.00 N ATOM 1176 CA GLY A 78 1.267 -3.231 10.047 1.00 0.00 C ATOM 1177 C GLY A 78 1.709 -4.431 9.208 1.00 0.00 C ATOM 1178 O GLY A 78 1.224 -5.544 9.407 1.00 0.00 O ATOM 0 H GLY A 78 2.414 -1.497 10.308 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.662 -3.573 10.887 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.637 -2.575 9.446 1.00 0.00 H new ATOM 1182 N MET A 79 2.623 -4.165 8.287 1.00 0.00 N ATOM 1183 CA MET A 79 3.136 -5.209 7.417 1.00 0.00 C ATOM 1184 C MET A 79 3.890 -6.271 8.220 1.00 0.00 C ATOM 1185 O MET A 79 3.638 -7.465 8.068 1.00 0.00 O ATOM 1186 CB MET A 79 4.073 -4.593 6.377 1.00 0.00 C ATOM 1187 CG MET A 79 4.261 -5.532 5.183 1.00 0.00 C ATOM 1188 SD MET A 79 3.328 -4.935 3.784 1.00 0.00 S ATOM 1189 CE MET A 79 3.753 -6.178 2.575 1.00 0.00 C ATOM 0 H MET A 79 3.022 -3.240 8.124 1.00 0.00 H new ATOM 0 HA MET A 79 2.293 -5.688 6.920 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.667 -3.641 6.035 1.00 0.00 H new ATOM 0 HB3 MET A 79 5.040 -4.381 6.834 1.00 0.00 H new ATOM 0 HG2 MET A 79 5.318 -5.598 4.924 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.934 -6.538 5.446 1.00 0.00 H new ATOM 0 HE1 MET A 79 3.251 -5.956 1.633 1.00 0.00 H new ATOM 0 HE2 MET A 79 4.832 -6.180 2.419 1.00 0.00 H new ATOM 0 HE3 MET A 79 3.436 -7.157 2.933 1.00 0.00 H new ATOM 1199 N GLY A 80 4.802 -5.797 9.056 1.00 0.00 N ATOM 1200 CA GLY A 80 5.595 -6.690 9.884 1.00 0.00 C ATOM 1201 C GLY A 80 4.703 -7.693 10.619 1.00 0.00 C ATOM 1202 O GLY A 80 5.050 -8.867 10.736 1.00 0.00 O ATOM 0 H GLY A 80 5.010 -4.806 9.178 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.314 -7.224 9.263 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.167 -6.109 10.607 1.00 0.00 H new ATOM 1206 N TYR A 81 3.572 -7.193 11.094 1.00 0.00 N ATOM 1207 CA TYR A 81 2.628 -8.031 11.814 1.00 0.00 C ATOM 1208 C TYR A 81 1.677 -8.740 10.848 1.00 0.00 C ATOM 1209 O TYR A 81 1.064 -9.747 11.202 1.00 0.00 O ATOM 1210 CB TYR A 81 1.820 -7.085 12.705 1.00 0.00 C ATOM 1211 CG TYR A 81 0.701 -7.774 13.489 1.00 0.00 C ATOM 1212 CD1 TYR A 81 -0.466 -8.139 12.849 1.00 0.00 C ATOM 1213 CD2 TYR A 81 0.858 -8.030 14.836 1.00 0.00 C ATOM 1214 CE1 TYR A 81 -1.520 -8.787 13.587 1.00 0.00 C ATOM 1215 CE2 TYR A 81 -0.195 -8.678 15.574 1.00 0.00 C ATOM 1216 CZ TYR A 81 -1.332 -9.024 14.913 1.00 0.00 C ATOM 1217 OH TYR A 81 -2.327 -9.636 15.610 1.00 0.00 O ATOM 0 H TYR A 81 3.288 -6.218 10.995 1.00 0.00 H new ATOM 0 HA TYR A 81 3.152 -8.798 12.385 1.00 0.00 H new ATOM 0 HB2 TYR A 81 2.496 -6.598 13.408 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.386 -6.301 12.085 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.589 -7.939 11.795 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.771 -7.744 15.337 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.438 -9.078 13.099 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.084 -8.885 16.628 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.054 -9.742 16.545 1.00 0.00 H new