USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 541 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 56 THR OG1 : rot 180:sc= -0.967 USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= -0.41 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0724 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.0613 X(o=-0.061,f=-0.061) USER MOD Single : A 39 GLN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -64:sc= 0.88 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -168:sc=-0.00373 (180deg=-0.106) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.247 F(o=-0.82,f=-0.25) USER MOD Single : A 65 LYS NZ :NH3+ -141:sc= -1.2 (180deg=-3.46!) USER MOD Single : A 67 MET CE :methyl 145:sc= -1.83 (180deg=-3.47) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.0864 F(o=-1.1,f=-0.086) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -144:sc=-0.00903 (180deg=-0.206) USER MOD Single : A 88 ASN :FLIP amide:sc= -0.0173 F(o=-0.62,f=-0.017) USER MOD Single : A 89 TYR OH : rot -65:sc= 0.00854 USER MOD Single : A 90 THR OG1 : rot 30:sc= 0.446 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 432 N VAL A 31 1.973 -10.993 5.597 1.00 64.00 N ATOM 433 CA VAL A 31 2.742 -10.881 4.363 1.00 0.51 C ATOM 434 C VAL A 31 1.902 -11.276 3.154 1.00 2.40 C ATOM 435 O VAL A 31 2.392 -11.928 2.233 1.00 72.12 O ATOM 436 CB VAL A 31 4.005 -11.760 4.407 1.00 1.40 C ATOM 437 CG1 VAL A 31 4.938 -11.302 5.519 1.00 53.05 C ATOM 438 CG2 VAL A 31 3.630 -13.223 4.586 1.00 72.23 C ATOM 0 HA VAL A 31 3.039 -9.836 4.269 1.00 0.51 H new ATOM 0 HB VAL A 31 4.531 -11.656 3.458 1.00 1.40 H new ATOM 0 HG11 VAL A 31 5.825 -11.936 5.534 1.00 53.05 H new ATOM 0 HG12 VAL A 31 5.234 -10.268 5.343 1.00 53.05 H new ATOM 0 HG13 VAL A 31 4.424 -11.374 6.478 1.00 53.05 H new ATOM 0 HG21 VAL A 31 4.535 -13.830 4.615 1.00 72.23 H new ATOM 0 HG22 VAL A 31 3.081 -13.346 5.519 1.00 72.23 H new ATOM 0 HG23 VAL A 31 3.005 -13.543 3.752 1.00 72.23 H new ATOM 448 N GLU A 32 0.634 -10.876 3.165 1.00 0.45 N ATOM 449 CA GLU A 32 -0.275 -11.189 2.068 1.00 24.53 C ATOM 450 C GLU A 32 -0.020 -10.276 0.873 1.00 64.41 C ATOM 451 O GLU A 32 -0.346 -10.619 -0.264 1.00 2.44 O ATOM 452 CB GLU A 32 -1.729 -11.054 2.527 1.00 44.24 C ATOM 453 CG GLU A 32 -2.184 -9.613 2.689 1.00 22.42 C ATOM 454 CD GLU A 32 -3.640 -9.504 3.097 1.00 23.50 C ATOM 455 OE1 GLU A 32 -3.905 -9.296 4.300 1.00 70.44 O ATOM 456 OE2 GLU A 32 -4.514 -9.628 2.215 1.00 72.22 O ATOM 0 H GLU A 32 0.213 -10.335 3.921 1.00 0.45 H new ATOM 0 HA GLU A 32 -0.093 -12.219 1.761 1.00 24.53 H new ATOM 0 HB2 GLU A 32 -2.377 -11.552 1.806 1.00 44.24 H new ATOM 0 HB3 GLU A 32 -1.851 -11.574 3.477 1.00 44.24 H new ATOM 0 HG2 GLU A 32 -1.563 -9.122 3.438 1.00 22.42 H new ATOM 0 HG3 GLU A 32 -2.033 -9.080 1.750 1.00 22.42 H new ATOM 464 N SER A 33 0.565 -9.112 1.138 1.00 63.54 N ATOM 465 CA SER A 33 0.861 -8.148 0.086 1.00 42.14 C ATOM 466 C SER A 33 2.367 -7.971 -0.083 1.00 22.44 C ATOM 467 O SER A 33 2.839 -7.536 -1.133 1.00 54.33 O ATOM 468 CB SER A 33 0.210 -6.800 0.403 1.00 72.32 C ATOM 469 OG SER A 33 -1.140 -6.968 0.802 1.00 0.52 O ATOM 0 H SER A 33 0.843 -8.814 2.073 1.00 63.54 H new ATOM 0 HA SER A 33 0.452 -8.531 -0.849 1.00 42.14 H new ATOM 0 HB2 SER A 33 0.767 -6.301 1.195 1.00 72.32 H new ATOM 0 HB3 SER A 33 0.256 -6.155 -0.474 1.00 72.32 H new ATOM 0 HG SER A 33 -1.534 -6.093 1.001 1.00 0.52 H new ATOM 475 N ASP A 34 3.116 -8.312 0.960 1.00 20.31 N ATOM 476 CA ASP A 34 4.569 -8.193 0.929 1.00 12.13 C ATOM 477 C ASP A 34 5.158 -9.015 -0.212 1.00 54.22 C ATOM 478 O ASP A 34 6.250 -8.725 -0.701 1.00 62.24 O ATOM 479 CB ASP A 34 5.167 -8.646 2.262 1.00 44.44 C ATOM 480 CG ASP A 34 6.634 -8.284 2.390 1.00 3.24 C ATOM 481 OD1 ASP A 34 7.127 -7.497 1.556 1.00 40.44 O ATOM 482 OD2 ASP A 34 7.289 -8.787 3.327 1.00 45.22 O ATOM 0 H ASP A 34 2.741 -8.673 1.837 1.00 20.31 H new ATOM 0 HA ASP A 34 4.819 -7.145 0.764 1.00 12.13 H new ATOM 0 HB2 ASP A 34 4.610 -8.190 3.081 1.00 44.44 H new ATOM 0 HB3 ASP A 34 5.052 -9.725 2.361 1.00 44.44 H new ATOM 488 N LEU A 35 4.428 -10.042 -0.632 1.00 62.45 N ATOM 489 CA LEU A 35 4.878 -10.909 -1.717 1.00 4.41 C ATOM 490 C LEU A 35 4.297 -10.456 -3.052 1.00 53.52 C ATOM 491 O LEU A 35 4.320 -11.198 -4.034 1.00 72.14 O ATOM 492 CB LEU A 35 4.477 -12.358 -1.437 1.00 50.25 C ATOM 493 CG LEU A 35 5.410 -13.148 -0.519 1.00 44.41 C ATOM 494 CD1 LEU A 35 4.780 -14.477 -0.134 1.00 5.21 C ATOM 495 CD2 LEU A 35 6.758 -13.368 -1.189 1.00 60.44 C ATOM 0 H LEU A 35 3.522 -10.295 -0.238 1.00 62.45 H new ATOM 0 HA LEU A 35 5.965 -10.844 -1.775 1.00 4.41 H new ATOM 0 HB2 LEU A 35 3.480 -12.359 -0.996 1.00 50.25 H new ATOM 0 HB3 LEU A 35 4.405 -12.884 -2.389 1.00 50.25 H new ATOM 0 HG LEU A 35 5.570 -12.568 0.390 1.00 44.41 H new ATOM 0 HD11 LEU A 35 5.458 -15.026 0.519 1.00 5.21 H new ATOM 0 HD12 LEU A 35 3.840 -14.297 0.388 1.00 5.21 H new ATOM 0 HD13 LEU A 35 4.589 -15.063 -1.033 1.00 5.21 H new ATOM 0 HD21 LEU A 35 7.409 -13.932 -0.521 1.00 60.44 H new ATOM 0 HD22 LEU A 35 6.617 -13.926 -2.115 1.00 60.44 H new ATOM 0 HD23 LEU A 35 7.215 -12.404 -1.412 1.00 60.44 H new ATOM 507 N ASP A 36 3.779 -9.233 -3.082 1.00 34.02 N ATOM 508 CA ASP A 36 3.193 -8.680 -4.298 1.00 3.14 C ATOM 509 C ASP A 36 4.274 -8.091 -5.200 1.00 74.55 C ATOM 510 O ASP A 36 3.978 -7.552 -6.266 1.00 61.12 O ATOM 511 CB ASP A 36 2.161 -7.606 -3.950 1.00 61.20 C ATOM 512 CG ASP A 36 2.796 -6.252 -3.700 1.00 72.25 C ATOM 513 OD1 ASP A 36 2.187 -5.232 -4.085 1.00 52.14 O ATOM 514 OD2 ASP A 36 3.899 -6.213 -3.118 1.00 44.23 O ATOM 0 H ASP A 36 3.753 -8.606 -2.278 1.00 34.02 H new ATOM 0 HA ASP A 36 2.696 -9.489 -4.834 1.00 3.14 H new ATOM 0 HB2 ASP A 36 1.441 -7.521 -4.764 1.00 61.20 H new ATOM 0 HB3 ASP A 36 1.606 -7.913 -3.063 1.00 61.20 H new ATOM 520 N MET A 37 5.525 -8.199 -4.766 1.00 12.44 N ATOM 521 CA MET A 37 6.648 -7.677 -5.535 1.00 12.43 C ATOM 522 C MET A 37 7.026 -8.632 -6.661 1.00 65.15 C ATOM 523 O MET A 37 7.336 -8.204 -7.773 1.00 14.33 O ATOM 524 CB MET A 37 7.854 -7.443 -4.622 1.00 50.44 C ATOM 525 CG MET A 37 9.144 -7.166 -5.379 1.00 33.32 C ATOM 526 SD MET A 37 10.150 -5.892 -4.594 1.00 73.23 S ATOM 527 CE MET A 37 11.681 -6.784 -4.332 1.00 31.23 C ATOM 0 H MET A 37 5.787 -8.643 -3.886 1.00 12.44 H new ATOM 0 HA MET A 37 6.345 -6.727 -5.975 1.00 12.43 H new ATOM 0 HB2 MET A 37 7.642 -6.602 -3.962 1.00 50.44 H new ATOM 0 HB3 MET A 37 7.995 -8.318 -3.988 1.00 50.44 H new ATOM 0 HG2 MET A 37 9.723 -8.087 -5.452 1.00 33.32 H new ATOM 0 HG3 MET A 37 8.905 -6.858 -6.397 1.00 33.32 H new ATOM 0 HE1 MET A 37 12.407 -6.128 -3.852 1.00 31.23 H new ATOM 0 HE2 MET A 37 11.494 -7.647 -3.693 1.00 31.23 H new ATOM 0 HE3 MET A 37 12.075 -7.121 -5.291 1.00 31.23 H new ATOM 537 N GLN A 38 6.999 -9.928 -6.367 1.00 21.54 N ATOM 538 CA GLN A 38 7.341 -10.943 -7.355 1.00 73.55 C ATOM 539 C GLN A 38 6.397 -10.878 -8.552 1.00 52.21 C ATOM 540 O GLN A 38 6.756 -11.276 -9.659 1.00 54.32 O ATOM 541 CB GLN A 38 7.288 -12.337 -6.726 1.00 31.03 C ATOM 542 CG GLN A 38 8.614 -12.788 -6.133 1.00 53.20 C ATOM 543 CD GLN A 38 9.097 -11.875 -5.024 1.00 13.42 C ATOM 544 OE1 GLN A 38 10.033 -11.096 -5.208 1.00 53.35 O ATOM 545 NE2 GLN A 38 8.460 -11.966 -3.862 1.00 44.35 N ATOM 0 H GLN A 38 6.744 -10.299 -5.452 1.00 21.54 H new ATOM 0 HA GLN A 38 8.355 -10.747 -7.703 1.00 73.55 H new ATOM 0 HB2 GLN A 38 6.528 -12.345 -5.944 1.00 31.03 H new ATOM 0 HB3 GLN A 38 6.974 -13.056 -7.483 1.00 31.03 H new ATOM 0 HG2 GLN A 38 8.508 -13.801 -5.745 1.00 53.20 H new ATOM 0 HG3 GLN A 38 9.366 -12.826 -6.921 1.00 53.20 H new ATOM 0 HE21 GLN A 38 7.689 -12.625 -3.753 1.00 44.35 H new ATOM 0 HE22 GLN A 38 8.741 -11.377 -3.079 1.00 44.35 H new ATOM 554 N GLN A 39 5.190 -10.373 -8.319 1.00 54.20 N ATOM 555 CA GLN A 39 4.194 -10.256 -9.379 1.00 2.24 C ATOM 556 C GLN A 39 4.461 -9.028 -10.243 1.00 65.44 C ATOM 557 O GLN A 39 4.046 -8.970 -11.400 1.00 65.45 O ATOM 558 CB GLN A 39 2.788 -10.177 -8.780 1.00 24.31 C ATOM 559 CG GLN A 39 2.513 -11.242 -7.731 1.00 44.32 C ATOM 560 CD GLN A 39 1.067 -11.255 -7.279 1.00 74.32 C ATOM 561 OE1 GLN A 39 0.434 -12.310 -7.215 1.00 34.34 O ATOM 562 NE2 GLN A 39 0.533 -10.081 -6.963 1.00 21.32 N ATOM 0 H GLN A 39 4.878 -10.039 -7.407 1.00 54.20 H new ATOM 0 HA GLN A 39 4.264 -11.143 -10.009 1.00 2.24 H new ATOM 0 HB2 GLN A 39 2.648 -9.193 -8.332 1.00 24.31 H new ATOM 0 HB3 GLN A 39 2.055 -10.270 -9.581 1.00 24.31 H new ATOM 0 HG2 GLN A 39 2.772 -12.220 -8.135 1.00 44.32 H new ATOM 0 HG3 GLN A 39 3.158 -11.072 -6.869 1.00 44.32 H new ATOM 0 HE21 GLN A 39 1.093 -9.231 -7.030 1.00 21.32 H new ATOM 0 HE22 GLN A 39 -0.437 -10.029 -6.653 1.00 21.32 H new ATOM 571 N ALA A 40 5.156 -8.050 -9.674 1.00 4.33 N ATOM 572 CA ALA A 40 5.480 -6.824 -10.393 1.00 12.40 C ATOM 573 C ALA A 40 6.331 -7.118 -11.625 1.00 34.54 C ATOM 574 O ALA A 40 6.364 -6.331 -12.570 1.00 73.50 O ATOM 575 CB ALA A 40 6.199 -5.846 -9.475 1.00 70.53 C ATOM 0 H ALA A 40 5.506 -8.082 -8.716 1.00 4.33 H new ATOM 0 HA ALA A 40 4.546 -6.372 -10.727 1.00 12.40 H new ATOM 0 HB1 ALA A 40 6.434 -4.936 -10.026 1.00 70.53 H new ATOM 0 HB2 ALA A 40 5.557 -5.602 -8.629 1.00 70.53 H new ATOM 0 HB3 ALA A 40 7.122 -6.299 -9.112 1.00 70.53 H new ATOM 581 N MET A 41 7.017 -8.256 -11.606 1.00 32.34 N ATOM 582 CA MET A 41 7.866 -8.654 -12.721 1.00 65.04 C ATOM 583 C MET A 41 7.032 -9.225 -13.864 1.00 50.20 C ATOM 584 O MET A 41 7.381 -9.074 -15.036 1.00 15.21 O ATOM 585 CB MET A 41 8.898 -9.687 -12.262 1.00 52.02 C ATOM 586 CG MET A 41 9.708 -9.242 -11.056 1.00 13.42 C ATOM 587 SD MET A 41 10.608 -7.708 -11.352 1.00 4.53 S ATOM 588 CE MET A 41 12.167 -8.341 -11.963 1.00 61.53 C ATOM 0 H MET A 41 7.001 -8.918 -10.830 1.00 32.34 H new ATOM 0 HA MET A 41 8.386 -7.767 -13.082 1.00 65.04 H new ATOM 0 HB2 MET A 41 8.385 -10.618 -12.022 1.00 52.02 H new ATOM 0 HB3 MET A 41 9.578 -9.901 -13.087 1.00 52.02 H new ATOM 0 HG2 MET A 41 9.041 -9.109 -10.204 1.00 13.42 H new ATOM 0 HG3 MET A 41 10.415 -10.027 -10.788 1.00 13.42 H new ATOM 0 HE1 MET A 41 12.833 -7.509 -12.191 1.00 61.53 H new ATOM 0 HE2 MET A 41 12.625 -8.975 -11.204 1.00 61.53 H new ATOM 0 HE3 MET A 41 11.993 -8.925 -12.867 1.00 61.53 H new ATOM 598 N LEU A 42 5.931 -9.880 -13.516 1.00 60.50 N ATOM 599 CA LEU A 42 5.047 -10.475 -14.513 1.00 1.21 C ATOM 600 C LEU A 42 4.021 -9.459 -15.005 1.00 13.23 C ATOM 601 O LEU A 42 3.114 -9.795 -15.768 1.00 44.21 O ATOM 602 CB LEU A 42 4.333 -11.695 -13.928 1.00 42.21 C ATOM 603 CG LEU A 42 5.008 -13.046 -14.168 1.00 20.33 C ATOM 604 CD1 LEU A 42 6.414 -13.051 -13.589 1.00 51.31 C ATOM 605 CD2 LEU A 42 4.178 -14.170 -13.566 1.00 34.31 C ATOM 0 H LEU A 42 5.628 -10.013 -12.551 1.00 60.50 H new ATOM 0 HA LEU A 42 5.656 -10.790 -15.361 1.00 1.21 H new ATOM 0 HB2 LEU A 42 4.229 -11.549 -12.853 1.00 42.21 H new ATOM 0 HB3 LEU A 42 3.326 -11.736 -14.343 1.00 42.21 H new ATOM 0 HG LEU A 42 5.080 -13.209 -15.243 1.00 20.33 H new ATOM 0 HD11 LEU A 42 6.878 -14.020 -13.769 1.00 51.31 H new ATOM 0 HD12 LEU A 42 7.007 -12.270 -14.066 1.00 51.31 H new ATOM 0 HD13 LEU A 42 6.366 -12.866 -12.516 1.00 51.31 H new ATOM 0 HD21 LEU A 42 4.673 -15.124 -13.746 1.00 34.31 H new ATOM 0 HD22 LEU A 42 4.075 -14.011 -12.493 1.00 34.31 H new ATOM 0 HD23 LEU A 42 3.191 -14.181 -14.028 1.00 34.31 H new ATOM 617 N THR A 43 4.170 -8.213 -14.564 1.00 1.21 N ATOM 618 CA THR A 43 3.258 -7.148 -14.961 1.00 21.22 C ATOM 619 C THR A 43 4.002 -5.832 -15.156 1.00 10.32 C ATOM 620 O THR A 43 3.626 -4.806 -14.592 1.00 1.35 O ATOM 621 CB THR A 43 2.144 -6.944 -13.915 1.00 62.54 C ATOM 622 OG1 THR A 43 1.285 -5.873 -14.319 1.00 32.53 O ATOM 623 CG2 THR A 43 2.734 -6.641 -12.547 1.00 45.50 C ATOM 0 H THR A 43 4.914 -7.917 -13.932 1.00 1.21 H new ATOM 0 HA THR A 43 2.809 -7.452 -15.906 1.00 21.22 H new ATOM 0 HB THR A 43 1.567 -7.866 -13.846 1.00 62.54 H new ATOM 0 HG1 THR A 43 1.792 -5.035 -14.333 1.00 32.53 H new ATOM 0 HG21 THR A 43 1.928 -6.501 -11.826 1.00 45.50 H new ATOM 0 HG22 THR A 43 3.364 -7.472 -12.230 1.00 45.50 H new ATOM 0 HG23 THR A 43 3.333 -5.732 -12.602 1.00 45.50 H new ATOM 631 N ASN A 44 5.060 -5.869 -15.960 1.00 72.10 N ATOM 632 CA ASN A 44 5.856 -4.677 -16.230 1.00 62.24 C ATOM 633 C ASN A 44 4.970 -3.521 -16.682 1.00 53.35 C ATOM 634 O ASN A 44 4.307 -3.600 -17.716 1.00 42.41 O ATOM 635 CB ASN A 44 6.910 -4.976 -17.299 1.00 41.44 C ATOM 636 CG ASN A 44 8.155 -4.124 -17.137 1.00 14.34 C ATOM 637 OD1 ASN A 44 8.955 -4.341 -16.227 1.00 61.10 O ATOM 638 ND2 ASN A 44 8.323 -3.148 -18.021 1.00 2.21 N ATOM 0 H ASN A 44 5.386 -6.711 -16.435 1.00 72.10 H new ATOM 0 HA ASN A 44 6.356 -4.387 -15.306 1.00 62.24 H new ATOM 0 HB2 ASN A 44 7.185 -6.030 -17.250 1.00 41.44 H new ATOM 0 HB3 ASN A 44 6.481 -4.804 -18.286 1.00 41.44 H new ATOM 0 HD21 ASN A 44 9.141 -2.542 -17.962 1.00 2.21 H new ATOM 0 HD22 ASN A 44 7.634 -3.004 -18.759 1.00 2.21 H new ATOM 718 N VAL A 49 -0.041 2.996 -18.756 1.00 13.12 N ATOM 719 CA VAL A 49 -0.342 2.666 -17.368 1.00 32.21 C ATOM 720 C VAL A 49 -0.100 3.861 -16.453 1.00 53.24 C ATOM 721 O VAL A 49 -0.739 3.999 -15.409 1.00 61.15 O ATOM 722 CB VAL A 49 0.507 1.478 -16.877 1.00 15.32 C ATOM 723 CG1 VAL A 49 0.243 1.206 -15.403 1.00 42.51 C ATOM 724 CG2 VAL A 49 0.224 0.239 -17.713 1.00 52.44 C ATOM 0 HA VAL A 49 -1.396 2.391 -17.330 1.00 32.21 H new ATOM 0 HB VAL A 49 1.560 1.735 -16.993 1.00 15.32 H new ATOM 0 HG11 VAL A 49 0.851 0.364 -15.074 1.00 42.51 H new ATOM 0 HG12 VAL A 49 0.500 2.089 -14.818 1.00 42.51 H new ATOM 0 HG13 VAL A 49 -0.811 0.970 -15.260 1.00 42.51 H new ATOM 0 HG21 VAL A 49 0.832 -0.590 -17.352 1.00 52.44 H new ATOM 0 HG22 VAL A 49 -0.831 -0.022 -17.631 1.00 52.44 H new ATOM 0 HG23 VAL A 49 0.468 0.441 -18.756 1.00 52.44 H new ATOM 734 N LEU A 50 0.826 4.726 -16.853 1.00 72.53 N ATOM 735 CA LEU A 50 1.153 5.912 -16.070 1.00 2.34 C ATOM 736 C LEU A 50 -0.006 6.903 -16.071 1.00 53.53 C ATOM 737 O LEU A 50 -0.142 7.720 -15.160 1.00 21.04 O ATOM 738 CB LEU A 50 2.412 6.582 -16.624 1.00 42.24 C ATOM 739 CG LEU A 50 3.607 5.662 -16.875 1.00 43.32 C ATOM 740 CD1 LEU A 50 4.670 6.379 -17.695 1.00 33.44 C ATOM 741 CD2 LEU A 50 4.189 5.172 -15.557 1.00 10.44 C ATOM 0 H LEU A 50 1.363 4.628 -17.715 1.00 72.53 H new ATOM 0 HA LEU A 50 1.337 5.598 -15.042 1.00 2.34 H new ATOM 0 HB2 LEU A 50 2.155 7.074 -17.562 1.00 42.24 H new ATOM 0 HB3 LEU A 50 2.720 7.363 -15.928 1.00 42.24 H new ATOM 0 HG LEU A 50 3.262 4.797 -17.441 1.00 43.32 H new ATOM 0 HD11 LEU A 50 5.513 5.709 -17.864 1.00 33.44 H new ATOM 0 HD12 LEU A 50 4.248 6.680 -18.654 1.00 33.44 H new ATOM 0 HD13 LEU A 50 5.011 7.262 -17.155 1.00 33.44 H new ATOM 0 HD21 LEU A 50 5.039 4.518 -15.755 1.00 10.44 H new ATOM 0 HD22 LEU A 50 4.518 6.026 -14.965 1.00 10.44 H new ATOM 0 HD23 LEU A 50 3.428 4.620 -15.006 1.00 10.44 H new ATOM 753 N LYS A 51 -0.843 6.824 -17.101 1.00 2.51 N ATOM 754 CA LYS A 51 -1.995 7.711 -17.220 1.00 41.12 C ATOM 755 C LYS A 51 -3.016 7.429 -16.123 1.00 42.32 C ATOM 756 O LYS A 51 -3.625 8.349 -15.578 1.00 23.52 O ATOM 757 CB LYS A 51 -2.649 7.547 -18.594 1.00 41.45 C ATOM 758 CG LYS A 51 -1.710 7.837 -19.753 1.00 73.15 C ATOM 759 CD LYS A 51 -1.715 9.311 -20.120 1.00 13.11 C ATOM 760 CE LYS A 51 -2.951 9.682 -20.926 1.00 12.15 C ATOM 761 NZ LYS A 51 -2.882 9.159 -22.318 1.00 74.15 N ATOM 0 H LYS A 51 -0.745 6.155 -17.865 1.00 2.51 H new ATOM 0 HA LYS A 51 -1.645 8.737 -17.110 1.00 41.12 H new ATOM 0 HB2 LYS A 51 -3.026 6.529 -18.689 1.00 41.45 H new ATOM 0 HB3 LYS A 51 -3.510 8.213 -18.659 1.00 41.45 H new ATOM 0 HG2 LYS A 51 -0.698 7.531 -19.488 1.00 73.15 H new ATOM 0 HG3 LYS A 51 -2.006 7.245 -20.619 1.00 73.15 H new ATOM 0 HD2 LYS A 51 -1.678 9.913 -19.212 1.00 13.11 H new ATOM 0 HD3 LYS A 51 -0.820 9.546 -20.696 1.00 13.11 H new ATOM 0 HE2 LYS A 51 -3.839 9.286 -20.433 1.00 12.15 H new ATOM 0 HE3 LYS A 51 -3.057 10.767 -20.950 1.00 12.15 H new ATOM 0 HZ1 LYS A 51 -3.632 9.596 -22.891 1.00 74.15 H new ATOM 0 HZ2 LYS A 51 -1.955 9.388 -22.729 1.00 74.15 H new ATOM 0 HZ3 LYS A 51 -3.011 8.127 -22.308 1.00 74.15 H new ATOM 775 N ALA A 52 -3.196 6.152 -15.803 1.00 21.34 N ATOM 776 CA ALA A 52 -4.140 5.749 -14.768 1.00 23.13 C ATOM 777 C ALA A 52 -3.751 6.332 -13.413 1.00 43.32 C ATOM 778 O ALA A 52 -4.603 6.813 -12.665 1.00 2.51 O ATOM 779 CB ALA A 52 -4.220 4.232 -14.689 1.00 12.04 C ATOM 0 H ALA A 52 -2.700 5.378 -16.246 1.00 21.34 H new ATOM 0 HA ALA A 52 -5.122 6.140 -15.034 1.00 23.13 H new ATOM 0 HB1 ALA A 52 -4.929 3.945 -13.912 1.00 12.04 H new ATOM 0 HB2 ALA A 52 -4.552 3.835 -15.648 1.00 12.04 H new ATOM 0 HB3 ALA A 52 -3.236 3.828 -14.450 1.00 12.04 H new ATOM 785 N LEU A 53 -2.460 6.285 -13.104 1.00 20.23 N ATOM 786 CA LEU A 53 -1.958 6.807 -11.838 1.00 5.55 C ATOM 787 C LEU A 53 -2.291 8.289 -11.690 1.00 24.15 C ATOM 788 O LEU A 53 -2.313 8.822 -10.581 1.00 0.15 O ATOM 789 CB LEU A 53 -0.445 6.601 -11.742 1.00 45.41 C ATOM 790 CG LEU A 53 0.051 5.168 -11.935 1.00 51.14 C ATOM 791 CD1 LEU A 53 1.569 5.135 -12.019 1.00 23.20 C ATOM 792 CD2 LEU A 53 -0.443 4.277 -10.805 1.00 72.53 C ATOM 0 H LEU A 53 -1.742 5.891 -13.712 1.00 20.23 H new ATOM 0 HA LEU A 53 -2.445 6.261 -11.030 1.00 5.55 H new ATOM 0 HB2 LEU A 53 0.036 7.234 -12.488 1.00 45.41 H new ATOM 0 HB3 LEU A 53 -0.112 6.951 -10.765 1.00 45.41 H new ATOM 0 HG LEU A 53 -0.352 4.787 -12.874 1.00 51.14 H new ATOM 0 HD11 LEU A 53 1.904 4.107 -12.156 1.00 23.20 H new ATOM 0 HD12 LEU A 53 1.900 5.740 -12.863 1.00 23.20 H new ATOM 0 HD13 LEU A 53 1.993 5.535 -11.098 1.00 23.20 H new ATOM 0 HD21 LEU A 53 -0.081 3.260 -10.958 1.00 72.53 H new ATOM 0 HD22 LEU A 53 -0.070 4.656 -9.853 1.00 72.53 H new ATOM 0 HD23 LEU A 53 -1.533 4.276 -10.793 1.00 72.53 H new ATOM 804 N GLU A 54 -2.550 8.948 -12.815 1.00 62.51 N ATOM 805 CA GLU A 54 -2.883 10.367 -12.810 1.00 30.01 C ATOM 806 C GLU A 54 -4.212 10.611 -12.101 1.00 53.14 C ATOM 807 O GLU A 54 -4.346 11.549 -11.316 1.00 51.11 O ATOM 808 CB GLU A 54 -2.949 10.903 -14.241 1.00 41.23 C ATOM 809 CG GLU A 54 -1.718 10.578 -15.071 1.00 40.20 C ATOM 810 CD GLU A 54 -0.460 11.223 -14.525 1.00 4.44 C ATOM 811 OE1 GLU A 54 -0.071 12.294 -15.038 1.00 30.23 O ATOM 812 OE2 GLU A 54 0.137 10.660 -13.583 1.00 62.52 O ATOM 0 H GLU A 54 -2.536 8.521 -13.741 1.00 62.51 H new ATOM 0 HA GLU A 54 -2.099 10.896 -12.268 1.00 30.01 H new ATOM 0 HB2 GLU A 54 -3.829 10.490 -14.734 1.00 41.23 H new ATOM 0 HB3 GLU A 54 -3.080 11.985 -14.209 1.00 41.23 H new ATOM 0 HG2 GLU A 54 -1.582 9.497 -15.105 1.00 40.20 H new ATOM 0 HG3 GLU A 54 -1.877 10.912 -16.096 1.00 40.20 H new ATOM 820 N ARG A 55 -5.193 9.760 -12.385 1.00 63.24 N ATOM 821 CA ARG A 55 -6.512 9.883 -11.778 1.00 33.43 C ATOM 822 C ARG A 55 -6.501 9.363 -10.344 1.00 64.53 C ATOM 823 O ARG A 55 -7.225 9.864 -9.483 1.00 61.14 O ATOM 824 CB ARG A 55 -7.550 9.118 -12.602 1.00 11.52 C ATOM 825 CG ARG A 55 -8.884 8.946 -11.893 1.00 43.51 C ATOM 826 CD ARG A 55 -9.489 10.289 -11.514 1.00 0.11 C ATOM 827 NE ARG A 55 -10.887 10.395 -11.926 1.00 4.11 N ATOM 828 CZ ARG A 55 -11.658 11.440 -11.646 1.00 64.11 C ATOM 829 NH1 ARG A 55 -11.170 12.463 -10.959 1.00 32.14 N ATOM 830 NH2 ARG A 55 -12.920 11.462 -12.056 1.00 30.44 N ATOM 0 H ARG A 55 -5.098 8.977 -13.032 1.00 63.24 H new ATOM 0 HA ARG A 55 -6.779 10.940 -11.761 1.00 33.43 H new ATOM 0 HB2 ARG A 55 -7.713 9.643 -13.543 1.00 11.52 H new ATOM 0 HB3 ARG A 55 -7.151 8.135 -12.851 1.00 11.52 H new ATOM 0 HG2 ARG A 55 -9.574 8.404 -12.540 1.00 43.51 H new ATOM 0 HG3 ARG A 55 -8.746 8.342 -10.997 1.00 43.51 H new ATOM 0 HD2 ARG A 55 -9.417 10.427 -10.435 1.00 0.11 H new ATOM 0 HD3 ARG A 55 -8.913 11.090 -11.977 1.00 0.11 H new ATOM 0 HE ARG A 55 -11.293 9.625 -12.457 1.00 4.11 H new ATOM 0 HH11 ARG A 55 -10.200 12.449 -10.644 1.00 32.14 H new ATOM 0 HH12 ARG A 55 -11.764 13.264 -10.746 1.00 32.14 H new ATOM 0 HH21 ARG A 55 -13.298 10.677 -12.586 1.00 30.44 H new ATOM 0 HH22 ARG A 55 -13.512 12.264 -11.841 1.00 30.44 H new ATOM 844 N THR A 56 -5.673 8.352 -10.093 1.00 14.33 N ATOM 845 CA THR A 56 -5.569 7.762 -8.764 1.00 41.52 C ATOM 846 C THR A 56 -4.829 8.690 -7.808 1.00 35.25 C ATOM 847 O THR A 56 -5.272 8.917 -6.681 1.00 14.52 O ATOM 848 CB THR A 56 -4.843 6.404 -8.808 1.00 41.42 C ATOM 849 OG1 THR A 56 -3.439 6.606 -9.001 1.00 23.14 O ATOM 850 CG2 THR A 56 -5.395 5.532 -9.926 1.00 43.23 C ATOM 0 H THR A 56 -5.065 7.926 -10.793 1.00 14.33 H new ATOM 0 HA THR A 56 -6.587 7.610 -8.404 1.00 41.52 H new ATOM 0 HB THR A 56 -5.009 5.896 -7.858 1.00 41.42 H new ATOM 0 HG1 THR A 56 -2.984 5.738 -9.026 1.00 23.14 H new ATOM 0 HG21 THR A 56 -4.867 4.578 -9.938 1.00 43.23 H new ATOM 0 HG22 THR A 56 -6.458 5.357 -9.760 1.00 43.23 H new ATOM 0 HG23 THR A 56 -5.256 6.036 -10.883 1.00 43.23 H new ATOM 858 N ARG A 57 -3.701 9.225 -8.263 1.00 32.14 N ATOM 859 CA ARG A 57 -2.900 10.128 -7.445 1.00 73.21 C ATOM 860 C ARG A 57 -3.733 11.314 -6.968 1.00 53.45 C ATOM 861 O ARG A 57 -3.452 11.903 -5.926 1.00 34.52 O ATOM 862 CB ARG A 57 -1.689 10.627 -8.237 1.00 22.31 C ATOM 863 CG ARG A 57 -2.048 11.599 -9.350 1.00 24.15 C ATOM 864 CD ARG A 57 -0.821 12.338 -9.859 1.00 42.30 C ATOM 865 NE ARG A 57 0.292 11.432 -10.132 1.00 31.51 N ATOM 866 CZ ARG A 57 1.528 11.843 -10.392 1.00 73.23 C ATOM 867 NH1 ARG A 57 1.808 13.139 -10.415 1.00 24.32 N ATOM 868 NH2 ARG A 57 2.486 10.956 -10.631 1.00 11.25 N ATOM 0 H ARG A 57 -3.321 9.049 -9.193 1.00 32.14 H new ATOM 0 HA ARG A 57 -2.553 9.576 -6.572 1.00 73.21 H new ATOM 0 HB2 ARG A 57 -0.993 11.112 -7.553 1.00 22.31 H new ATOM 0 HB3 ARG A 57 -1.169 9.771 -8.667 1.00 22.31 H new ATOM 0 HG2 ARG A 57 -2.515 11.057 -10.172 1.00 24.15 H new ATOM 0 HG3 ARG A 57 -2.782 12.318 -8.985 1.00 24.15 H new ATOM 0 HD2 ARG A 57 -1.077 12.881 -10.769 1.00 42.30 H new ATOM 0 HD3 ARG A 57 -0.512 13.079 -9.121 1.00 42.30 H new ATOM 0 HE ARG A 57 0.110 10.428 -10.122 1.00 31.51 H new ATOM 0 HH11 ARG A 57 1.073 13.823 -10.233 1.00 24.32 H new ATOM 0 HH12 ARG A 57 2.758 13.452 -10.615 1.00 24.32 H new ATOM 0 HH21 ARG A 57 2.273 9.959 -10.615 1.00 11.25 H new ATOM 0 HH22 ARG A 57 3.435 11.272 -10.831 1.00 11.25 H new ATOM 882 N GLN A 58 -4.759 11.658 -7.741 1.00 43.52 N ATOM 883 CA GLN A 58 -5.633 12.774 -7.398 1.00 4.31 C ATOM 884 C GLN A 58 -6.379 12.501 -6.097 1.00 12.52 C ATOM 885 O GLN A 58 -6.543 13.394 -5.263 1.00 72.42 O ATOM 886 CB GLN A 58 -6.630 13.035 -8.527 1.00 71.53 C ATOM 887 CG GLN A 58 -6.029 13.772 -9.713 1.00 71.24 C ATOM 888 CD GLN A 58 -5.689 15.214 -9.392 1.00 53.33 C ATOM 889 OE1 GLN A 58 -4.501 15.435 -8.843 1.00 64.52 O flip ATOM 890 NE2 GLN A 58 -6.488 16.121 -9.635 1.00 51.11 N flip ATOM 0 H GLN A 58 -5.005 11.180 -8.608 1.00 43.52 H new ATOM 0 HA GLN A 58 -5.012 13.659 -7.260 1.00 4.31 H new ATOM 0 HB2 GLN A 58 -7.035 12.083 -8.869 1.00 71.53 H new ATOM 0 HB3 GLN A 58 -7.466 13.615 -8.135 1.00 71.53 H new ATOM 0 HG2 GLN A 58 -5.127 13.254 -10.039 1.00 71.24 H new ATOM 0 HG3 GLN A 58 -6.731 13.745 -10.546 1.00 71.24 H new ATOM 0 HE21 GLN A 58 -7.391 15.906 -10.058 1.00 51.11 H new ATOM 0 HE22 GLN A 58 -6.246 17.087 -9.413 1.00 51.11 H new ATOM 899 N LEU A 59 -6.830 11.264 -5.928 1.00 75.41 N ATOM 900 CA LEU A 59 -7.560 10.872 -4.727 1.00 73.43 C ATOM 901 C LEU A 59 -6.612 10.313 -3.671 1.00 51.34 C ATOM 902 O LEU A 59 -7.043 9.674 -2.711 1.00 30.20 O ATOM 903 CB LEU A 59 -8.628 9.832 -5.072 1.00 11.15 C ATOM 904 CG LEU A 59 -9.485 10.132 -6.302 1.00 3.50 C ATOM 905 CD1 LEU A 59 -9.433 8.973 -7.284 1.00 73.41 C ATOM 906 CD2 LEU A 59 -10.921 10.425 -5.894 1.00 31.14 C ATOM 0 H LEU A 59 -6.703 10.514 -6.608 1.00 75.41 H new ATOM 0 HA LEU A 59 -8.044 11.760 -4.320 1.00 73.43 H new ATOM 0 HB2 LEU A 59 -8.136 8.871 -5.223 1.00 11.15 H new ATOM 0 HB3 LEU A 59 -9.289 9.720 -4.212 1.00 11.15 H new ATOM 0 HG LEU A 59 -9.082 11.017 -6.795 1.00 3.50 H new ATOM 0 HD11 LEU A 59 -10.049 9.205 -8.153 1.00 73.41 H new ATOM 0 HD12 LEU A 59 -8.403 8.811 -7.602 1.00 73.41 H new ATOM 0 HD13 LEU A 59 -9.810 8.071 -6.802 1.00 73.41 H new ATOM 0 HD21 LEU A 59 -11.516 10.636 -6.783 1.00 31.14 H new ATOM 0 HD22 LEU A 59 -11.336 9.560 -5.377 1.00 31.14 H new ATOM 0 HD23 LEU A 59 -10.941 11.289 -5.230 1.00 31.14 H new ATOM 918 N ASP A 60 -5.319 10.561 -3.853 1.00 55.12 N ATOM 919 CA ASP A 60 -4.310 10.085 -2.915 1.00 11.12 C ATOM 920 C ASP A 60 -4.262 8.561 -2.895 1.00 63.02 C ATOM 921 O ASP A 60 -4.731 7.927 -1.949 1.00 53.13 O ATOM 922 CB ASP A 60 -4.599 10.617 -1.510 1.00 54.12 C ATOM 923 CG ASP A 60 -5.059 12.062 -1.521 1.00 23.21 C ATOM 924 OD1 ASP A 60 -6.105 12.357 -0.906 1.00 73.45 O ATOM 925 OD2 ASP A 60 -4.371 12.897 -2.143 1.00 52.43 O ATOM 0 H ASP A 60 -4.946 11.089 -4.642 1.00 55.12 H new ATOM 0 HA ASP A 60 -3.339 10.456 -3.244 1.00 11.12 H new ATOM 0 HB2 ASP A 60 -5.364 9.999 -1.041 1.00 54.12 H new ATOM 0 HB3 ASP A 60 -3.700 10.530 -0.900 1.00 54.12 H new ATOM 931 N ILE A 61 -3.692 7.978 -3.945 1.00 1.21 N ATOM 932 CA ILE A 61 -3.582 6.529 -4.047 1.00 34.34 C ATOM 933 C ILE A 61 -2.183 6.113 -4.486 1.00 62.14 C ATOM 934 O ILE A 61 -1.674 6.546 -5.520 1.00 55.21 O ATOM 935 CB ILE A 61 -4.610 5.955 -5.040 1.00 35.45 C ATOM 936 CG1 ILE A 61 -5.984 6.591 -4.810 1.00 4.14 C ATOM 937 CG2 ILE A 61 -4.693 4.442 -4.902 1.00 0.31 C ATOM 938 CD1 ILE A 61 -7.021 6.174 -5.829 1.00 64.03 C ATOM 0 H ILE A 61 -3.300 8.488 -4.737 1.00 1.21 H new ATOM 0 HA ILE A 61 -3.783 6.127 -3.054 1.00 34.34 H new ATOM 0 HB ILE A 61 -4.285 6.191 -6.053 1.00 35.45 H new ATOM 0 HG12 ILE A 61 -6.337 6.324 -3.814 1.00 4.14 H new ATOM 0 HG13 ILE A 61 -5.881 7.676 -4.831 1.00 4.14 H new ATOM 0 HG21 ILE A 61 -5.424 4.052 -5.610 1.00 0.31 H new ATOM 0 HG22 ILE A 61 -3.717 4.004 -5.109 1.00 0.31 H new ATOM 0 HG23 ILE A 61 -4.998 4.185 -3.888 1.00 0.31 H new ATOM 0 HD11 ILE A 61 -7.969 6.663 -5.604 1.00 64.03 H new ATOM 0 HD12 ILE A 61 -6.690 6.466 -6.826 1.00 64.03 H new ATOM 0 HD13 ILE A 61 -7.153 5.093 -5.793 1.00 64.03 H new ATOM 950 N PRO A 62 -1.542 5.249 -3.683 1.00 53.33 N ATOM 951 CA PRO A 62 -0.193 4.753 -3.969 1.00 52.50 C ATOM 952 C PRO A 62 -0.163 3.812 -5.168 1.00 74.23 C ATOM 953 O PRO A 62 -1.009 2.926 -5.294 1.00 54.44 O ATOM 954 CB PRO A 62 0.188 4.004 -2.690 1.00 54.12 C ATOM 955 CG PRO A 62 -1.113 3.600 -2.086 1.00 64.34 C ATOM 956 CD PRO A 62 -2.087 4.692 -2.434 1.00 34.51 C ATOM 0 HA PRO A 62 0.492 5.561 -4.226 1.00 52.50 H new ATOM 0 HB2 PRO A 62 0.809 3.136 -2.910 1.00 54.12 H new ATOM 0 HB3 PRO A 62 0.758 4.641 -2.013 1.00 54.12 H new ATOM 0 HG2 PRO A 62 -1.445 2.640 -2.481 1.00 64.34 H new ATOM 0 HG3 PRO A 62 -1.023 3.486 -1.006 1.00 64.34 H new ATOM 0 HD2 PRO A 62 -3.095 4.302 -2.574 1.00 34.51 H new ATOM 0 HD3 PRO A 62 -2.143 5.446 -1.649 1.00 34.51 H new ATOM 964 N ASP A 63 0.815 4.008 -6.045 1.00 15.54 N ATOM 965 CA ASP A 63 0.955 3.175 -7.234 1.00 35.55 C ATOM 966 C ASP A 63 1.123 1.708 -6.851 1.00 11.10 C ATOM 967 O ASP A 63 0.910 0.815 -7.671 1.00 65.15 O ATOM 968 CB ASP A 63 2.150 3.637 -8.069 1.00 13.54 C ATOM 969 CG ASP A 63 3.337 4.030 -7.212 1.00 12.31 C ATOM 970 OD1 ASP A 63 4.140 3.139 -6.866 1.00 62.30 O ATOM 971 OD2 ASP A 63 3.465 5.230 -6.889 1.00 14.11 O ATOM 0 H ASP A 63 1.523 4.737 -5.955 1.00 15.54 H new ATOM 0 HA ASP A 63 0.047 3.276 -7.828 1.00 35.55 H new ATOM 0 HB2 ASP A 63 2.445 2.838 -8.749 1.00 13.54 H new ATOM 0 HB3 ASP A 63 1.853 4.486 -8.685 1.00 13.54 H new ATOM 977 N GLU A 64 1.506 1.467 -5.602 1.00 23.43 N ATOM 978 CA GLU A 64 1.705 0.107 -5.112 1.00 55.43 C ATOM 979 C GLU A 64 0.395 -0.677 -5.138 1.00 11.34 C ATOM 980 O GLU A 64 0.364 -1.844 -5.527 1.00 40.42 O ATOM 981 CB GLU A 64 2.270 0.131 -3.691 1.00 64.33 C ATOM 982 CG GLU A 64 3.420 1.108 -3.510 1.00 32.32 C ATOM 983 CD GLU A 64 4.102 0.962 -2.163 1.00 23.35 C ATOM 984 OE1 GLU A 64 4.823 1.899 -1.759 1.00 31.00 O ATOM 985 OE2 GLU A 64 3.916 -0.088 -1.513 1.00 33.22 O ATOM 0 H GLU A 64 1.685 2.195 -4.910 1.00 23.43 H new ATOM 0 HA GLU A 64 2.419 -0.389 -5.770 1.00 55.43 H new ATOM 0 HB2 GLU A 64 1.471 0.390 -2.996 1.00 64.33 H new ATOM 0 HB3 GLU A 64 2.610 -0.870 -3.427 1.00 64.33 H new ATOM 0 HG2 GLU A 64 4.152 0.953 -4.303 1.00 32.32 H new ATOM 0 HG3 GLU A 64 3.047 2.127 -3.616 1.00 32.32 H new ATOM 993 N LYS A 65 -0.685 -0.026 -4.718 1.00 55.52 N ATOM 994 CA LYS A 65 -1.998 -0.659 -4.693 1.00 71.14 C ATOM 995 C LYS A 65 -2.728 -0.452 -6.017 1.00 32.43 C ATOM 996 O LYS A 65 -3.541 -1.282 -6.425 1.00 51.15 O ATOM 997 CB LYS A 65 -2.836 -0.096 -3.542 1.00 71.33 C ATOM 998 CG LYS A 65 -3.610 1.158 -3.911 1.00 33.05 C ATOM 999 CD LYS A 65 -4.207 1.825 -2.683 1.00 63.12 C ATOM 1000 CE LYS A 65 -5.108 0.872 -1.913 1.00 54.34 C ATOM 1001 NZ LYS A 65 -6.047 0.148 -2.815 1.00 23.45 N ATOM 0 H LYS A 65 -0.676 0.940 -4.390 1.00 55.52 H new ATOM 0 HA LYS A 65 -1.855 -1.729 -4.541 1.00 71.14 H new ATOM 0 HB2 LYS A 65 -3.537 -0.860 -3.206 1.00 71.33 H new ATOM 0 HB3 LYS A 65 -2.180 0.126 -2.701 1.00 71.33 H new ATOM 0 HG2 LYS A 65 -2.949 1.858 -4.421 1.00 33.05 H new ATOM 0 HG3 LYS A 65 -4.406 0.903 -4.611 1.00 33.05 H new ATOM 0 HD2 LYS A 65 -3.406 2.175 -2.032 1.00 63.12 H new ATOM 0 HD3 LYS A 65 -4.778 2.702 -2.986 1.00 63.12 H new ATOM 0 HE2 LYS A 65 -4.496 0.151 -1.371 1.00 54.34 H new ATOM 0 HE3 LYS A 65 -5.676 1.430 -1.169 1.00 54.34 H new ATOM 0 HZ1 LYS A 65 -6.975 0.064 -2.354 1.00 23.45 H new ATOM 0 HZ2 LYS A 65 -6.149 0.675 -3.705 1.00 23.45 H new ATOM 0 HZ3 LYS A 65 -5.673 -0.801 -3.016 1.00 23.45 H new ATOM 1015 N THR A 66 -2.432 0.660 -6.683 1.00 34.00 N ATOM 1016 CA THR A 66 -3.060 0.976 -7.959 1.00 62.54 C ATOM 1017 C THR A 66 -2.518 0.086 -9.073 1.00 41.32 C ATOM 1018 O THR A 66 -3.225 -0.224 -10.031 1.00 23.45 O ATOM 1019 CB THR A 66 -2.841 2.451 -8.344 1.00 70.42 C ATOM 1020 OG1 THR A 66 -3.451 3.307 -7.371 1.00 72.41 O ATOM 1021 CG2 THR A 66 -3.420 2.743 -9.720 1.00 14.14 C ATOM 0 H THR A 66 -1.761 1.357 -6.359 1.00 34.00 H new ATOM 0 HA THR A 66 -4.128 0.795 -7.839 1.00 62.54 H new ATOM 0 HB THR A 66 -1.768 2.641 -8.372 1.00 70.42 H new ATOM 0 HG1 THR A 66 -3.306 4.243 -7.622 1.00 72.41 H new ATOM 0 HG21 THR A 66 -3.253 3.791 -9.970 1.00 14.14 H new ATOM 0 HG22 THR A 66 -2.932 2.111 -10.462 1.00 14.14 H new ATOM 0 HG23 THR A 66 -4.490 2.537 -9.716 1.00 14.14 H new ATOM 1029 N MET A 67 -1.260 -0.320 -8.940 1.00 21.43 N ATOM 1030 CA MET A 67 -0.624 -1.176 -9.935 1.00 54.30 C ATOM 1031 C MET A 67 -1.507 -2.375 -10.264 1.00 23.43 C ATOM 1032 O MET A 67 -1.918 -2.579 -11.406 1.00 71.35 O ATOM 1033 CB MET A 67 0.740 -1.654 -9.432 1.00 53.04 C ATOM 1034 CG MET A 67 1.906 -0.853 -9.987 1.00 50.23 C ATOM 1035 SD MET A 67 2.510 -1.501 -11.558 1.00 13.02 S ATOM 1036 CE MET A 67 1.474 -0.607 -12.714 1.00 14.14 C ATOM 0 H MET A 67 -0.661 -0.070 -8.153 1.00 21.43 H new ATOM 0 HA MET A 67 -0.483 -0.591 -10.844 1.00 54.30 H new ATOM 0 HB2 MET A 67 0.757 -1.598 -8.344 1.00 53.04 H new ATOM 0 HB3 MET A 67 0.870 -2.703 -9.700 1.00 53.04 H new ATOM 0 HG2 MET A 67 1.598 0.184 -10.121 1.00 50.23 H new ATOM 0 HG3 MET A 67 2.720 -0.853 -9.262 1.00 50.23 H new ATOM 0 HE1 MET A 67 2.044 -0.382 -13.615 1.00 14.14 H new ATOM 0 HE2 MET A 67 0.609 -1.217 -12.975 1.00 14.14 H new ATOM 0 HE3 MET A 67 1.137 0.323 -12.256 1.00 14.14 H new ATOM 1046 N PRO A 68 -1.806 -3.190 -9.241 1.00 12.13 N ATOM 1047 CA PRO A 68 -2.643 -4.383 -9.397 1.00 43.11 C ATOM 1048 C PRO A 68 -4.102 -4.036 -9.675 1.00 2.52 C ATOM 1049 O PRO A 68 -4.893 -4.896 -10.060 1.00 24.21 O ATOM 1050 CB PRO A 68 -2.510 -5.089 -8.045 1.00 41.33 C ATOM 1051 CG PRO A 68 -2.172 -4.004 -7.083 1.00 14.33 C ATOM 1052 CD PRO A 68 -1.351 -3.007 -7.853 1.00 2.22 C ATOM 0 HA PRO A 68 -2.329 -4.992 -10.245 1.00 43.11 H new ATOM 0 HB2 PRO A 68 -3.437 -5.590 -7.767 1.00 41.33 H new ATOM 0 HB3 PRO A 68 -1.731 -5.851 -8.071 1.00 41.33 H new ATOM 0 HG2 PRO A 68 -3.075 -3.541 -6.684 1.00 14.33 H new ATOM 0 HG3 PRO A 68 -1.613 -4.396 -6.233 1.00 14.33 H new ATOM 0 HD2 PRO A 68 -1.524 -1.989 -7.504 1.00 2.22 H new ATOM 0 HD3 PRO A 68 -0.283 -3.201 -7.751 1.00 2.22 H new ATOM 1060 N VAL A 69 -4.451 -2.768 -9.477 1.00 62.42 N ATOM 1061 CA VAL A 69 -5.815 -2.306 -9.708 1.00 60.41 C ATOM 1062 C VAL A 69 -6.058 -2.029 -11.187 1.00 63.24 C ATOM 1063 O VAL A 69 -6.960 -2.604 -11.798 1.00 54.45 O ATOM 1064 CB VAL A 69 -6.120 -1.031 -8.901 1.00 12.34 C ATOM 1065 CG1 VAL A 69 -7.402 -0.380 -9.396 1.00 53.40 C ATOM 1066 CG2 VAL A 69 -6.214 -1.350 -7.416 1.00 61.25 C ATOM 0 H VAL A 69 -3.808 -2.043 -9.157 1.00 62.42 H new ATOM 0 HA VAL A 69 -6.480 -3.104 -9.377 1.00 60.41 H new ATOM 0 HB VAL A 69 -5.302 -0.325 -9.047 1.00 12.34 H new ATOM 0 HG11 VAL A 69 -7.601 0.520 -8.814 1.00 53.40 H new ATOM 0 HG12 VAL A 69 -7.293 -0.115 -10.448 1.00 53.40 H new ATOM 0 HG13 VAL A 69 -8.232 -1.077 -9.282 1.00 53.40 H new ATOM 0 HG21 VAL A 69 -6.430 -0.437 -6.861 1.00 61.25 H new ATOM 0 HG22 VAL A 69 -7.012 -2.074 -7.249 1.00 61.25 H new ATOM 0 HG23 VAL A 69 -5.268 -1.768 -7.073 1.00 61.25 H new ATOM 1076 N LEU A 70 -5.247 -1.145 -11.759 1.00 51.22 N ATOM 1077 CA LEU A 70 -5.373 -0.790 -13.169 1.00 35.34 C ATOM 1078 C LEU A 70 -5.243 -2.025 -14.054 1.00 45.33 C ATOM 1079 O LEU A 70 -6.008 -2.205 -15.000 1.00 73.23 O ATOM 1080 CB LEU A 70 -4.310 0.241 -13.552 1.00 32.24 C ATOM 1081 CG LEU A 70 -2.858 -0.234 -13.481 1.00 55.52 C ATOM 1082 CD1 LEU A 70 -2.399 -0.747 -14.836 1.00 71.23 C ATOM 1083 CD2 LEU A 70 -1.954 0.892 -13.001 1.00 25.44 C ATOM 0 H LEU A 70 -4.495 -0.661 -11.268 1.00 51.22 H new ATOM 0 HA LEU A 70 -6.362 -0.358 -13.323 1.00 35.34 H new ATOM 0 HB2 LEU A 70 -4.511 0.580 -14.568 1.00 32.24 H new ATOM 0 HB3 LEU A 70 -4.420 1.107 -12.899 1.00 32.24 H new ATOM 0 HG LEU A 70 -2.797 -1.054 -12.765 1.00 55.52 H new ATOM 0 HD11 LEU A 70 -1.364 -1.081 -14.767 1.00 71.23 H new ATOM 0 HD12 LEU A 70 -3.030 -1.582 -15.142 1.00 71.23 H new ATOM 0 HD13 LEU A 70 -2.474 0.053 -15.572 1.00 71.23 H new ATOM 0 HD21 LEU A 70 -0.924 0.538 -12.956 1.00 25.44 H new ATOM 0 HD22 LEU A 70 -2.019 1.731 -13.694 1.00 25.44 H new ATOM 0 HD23 LEU A 70 -2.270 1.215 -12.009 1.00 25.44 H new ATOM 1095 N MET A 71 -4.270 -2.873 -13.738 1.00 43.14 N ATOM 1096 CA MET A 71 -4.041 -4.093 -14.503 1.00 73.34 C ATOM 1097 C MET A 71 -5.273 -4.993 -14.473 1.00 53.13 C ATOM 1098 O MET A 71 -5.467 -5.828 -15.356 1.00 52.35 O ATOM 1099 CB MET A 71 -2.830 -4.849 -13.953 1.00 12.42 C ATOM 1100 CG MET A 71 -3.133 -5.646 -12.695 1.00 23.01 C ATOM 1101 SD MET A 71 -1.798 -6.775 -12.251 1.00 72.11 S ATOM 1102 CE MET A 71 -2.345 -8.279 -13.056 1.00 51.32 C ATOM 0 H MET A 71 -3.627 -2.738 -12.957 1.00 43.14 H new ATOM 0 HA MET A 71 -3.843 -3.810 -15.537 1.00 73.34 H new ATOM 0 HB2 MET A 71 -2.455 -5.526 -14.721 1.00 12.42 H new ATOM 0 HB3 MET A 71 -2.033 -4.137 -13.739 1.00 12.42 H new ATOM 0 HG2 MET A 71 -3.313 -4.959 -11.868 1.00 23.01 H new ATOM 0 HG3 MET A 71 -4.051 -6.215 -12.842 1.00 23.01 H new ATOM 0 HE1 MET A 71 -1.621 -9.073 -12.873 1.00 51.32 H new ATOM 0 HE2 MET A 71 -3.316 -8.573 -12.657 1.00 51.32 H new ATOM 0 HE3 MET A 71 -2.431 -8.107 -14.129 1.00 51.32 H new ATOM 1112 N LYS A 72 -6.102 -4.818 -13.449 1.00 53.13 N ATOM 1113 CA LYS A 72 -7.316 -5.613 -13.303 1.00 42.51 C ATOM 1114 C LYS A 72 -8.373 -5.182 -14.315 1.00 73.34 C ATOM 1115 O LYS A 72 -9.191 -5.992 -14.756 1.00 0.54 O ATOM 1116 CB LYS A 72 -7.870 -5.479 -11.883 1.00 10.50 C ATOM 1117 CG LYS A 72 -8.877 -6.555 -11.519 1.00 71.40 C ATOM 1118 CD LYS A 72 -8.204 -7.752 -10.868 1.00 61.20 C ATOM 1119 CE LYS A 72 -7.631 -8.703 -11.908 1.00 54.54 C ATOM 1120 NZ LYS A 72 -7.340 -10.045 -11.332 1.00 52.05 N ATOM 0 H LYS A 72 -5.955 -4.133 -12.708 1.00 53.13 H new ATOM 0 HA LYS A 72 -7.062 -6.656 -13.491 1.00 42.51 H new ATOM 0 HB2 LYS A 72 -7.042 -5.513 -11.174 1.00 10.50 H new ATOM 0 HB3 LYS A 72 -8.341 -4.502 -11.776 1.00 10.50 H new ATOM 0 HG2 LYS A 72 -9.623 -6.142 -10.840 1.00 71.40 H new ATOM 0 HG3 LYS A 72 -9.406 -6.877 -12.416 1.00 71.40 H new ATOM 0 HD2 LYS A 72 -7.407 -7.409 -10.209 1.00 61.20 H new ATOM 0 HD3 LYS A 72 -8.925 -8.283 -10.246 1.00 61.20 H new ATOM 0 HE2 LYS A 72 -8.336 -8.807 -12.733 1.00 54.54 H new ATOM 0 HE3 LYS A 72 -6.716 -8.280 -12.322 1.00 54.54 H new ATOM 0 HZ1 LYS A 72 -6.951 -10.664 -12.072 1.00 52.05 H new ATOM 0 HZ2 LYS A 72 -6.648 -9.949 -10.562 1.00 52.05 H new ATOM 0 HZ3 LYS A 72 -8.218 -10.461 -10.959 1.00 52.05 H new ATOM 1134 N LEU A 73 -8.352 -3.906 -14.680 1.00 44.42 N ATOM 1135 CA LEU A 73 -9.307 -3.368 -15.642 1.00 11.11 C ATOM 1136 C LEU A 73 -8.949 -3.794 -17.062 1.00 41.22 C ATOM 1137 O LEU A 73 -9.789 -4.321 -17.794 1.00 5.41 O ATOM 1138 CB LEU A 73 -9.349 -1.842 -15.550 1.00 15.52 C ATOM 1139 CG LEU A 73 -9.187 -1.248 -14.150 1.00 63.31 C ATOM 1140 CD1 LEU A 73 -9.274 0.269 -14.200 1.00 71.02 C ATOM 1141 CD2 LEU A 73 -10.237 -1.814 -13.206 1.00 54.21 C ATOM 0 H LEU A 73 -7.683 -3.223 -14.324 1.00 44.42 H new ATOM 0 HA LEU A 73 -10.292 -3.767 -15.401 1.00 11.11 H new ATOM 0 HB2 LEU A 73 -8.562 -1.438 -16.187 1.00 15.52 H new ATOM 0 HB3 LEU A 73 -10.299 -1.499 -15.960 1.00 15.52 H new ATOM 0 HG LEU A 73 -8.202 -1.522 -13.772 1.00 63.31 H new ATOM 0 HD11 LEU A 73 -9.157 0.674 -13.195 1.00 71.02 H new ATOM 0 HD12 LEU A 73 -8.484 0.658 -14.842 1.00 71.02 H new ATOM 0 HD13 LEU A 73 -10.244 0.565 -14.599 1.00 71.02 H new ATOM 0 HD21 LEU A 73 -10.107 -1.380 -12.215 1.00 54.21 H new ATOM 0 HD22 LEU A 73 -11.232 -1.571 -13.580 1.00 54.21 H new ATOM 0 HD23 LEU A 73 -10.126 -2.897 -13.146 1.00 54.21 H new ATOM 1153 N LEU A 74 -7.698 -3.565 -17.445 1.00 10.30 N ATOM 1154 CA LEU A 74 -7.228 -3.927 -18.777 1.00 25.21 C ATOM 1155 C LEU A 74 -7.356 -5.429 -19.011 1.00 12.33 C ATOM 1156 O LEU A 74 -7.448 -5.883 -20.151 1.00 3.21 O ATOM 1157 CB LEU A 74 -5.772 -3.494 -18.961 1.00 5.11 C ATOM 1158 CG LEU A 74 -5.538 -2.000 -19.181 1.00 12.21 C ATOM 1159 CD1 LEU A 74 -6.362 -1.498 -20.357 1.00 34.22 C ATOM 1160 CD2 LEU A 74 -5.874 -1.216 -17.921 1.00 42.40 C ATOM 0 H LEU A 74 -6.991 -3.130 -16.852 1.00 10.30 H new ATOM 0 HA LEU A 74 -7.850 -3.410 -19.507 1.00 25.21 H new ATOM 0 HB2 LEU A 74 -5.208 -3.804 -18.081 1.00 5.11 H new ATOM 0 HB3 LEU A 74 -5.358 -4.035 -19.812 1.00 5.11 H new ATOM 0 HG LEU A 74 -4.483 -1.848 -19.410 1.00 12.21 H new ATOM 0 HD11 LEU A 74 -6.182 -0.432 -20.498 1.00 34.22 H new ATOM 0 HD12 LEU A 74 -6.074 -2.037 -21.259 1.00 34.22 H new ATOM 0 HD13 LEU A 74 -7.421 -1.664 -20.157 1.00 34.22 H new ATOM 0 HD21 LEU A 74 -5.701 -0.154 -18.096 1.00 42.40 H new ATOM 0 HD22 LEU A 74 -6.921 -1.375 -17.661 1.00 42.40 H new ATOM 0 HD23 LEU A 74 -5.241 -1.556 -17.101 1.00 42.40 H new ATOM 1172 N GLU A 75 -7.365 -6.193 -17.923 1.00 43.04 N ATOM 1173 CA GLU A 75 -7.485 -7.644 -18.011 1.00 44.10 C ATOM 1174 C GLU A 75 -8.766 -8.042 -18.736 1.00 52.35 C ATOM 1175 O GLU A 75 -8.734 -8.797 -19.706 1.00 64.54 O ATOM 1176 CB GLU A 75 -7.464 -8.265 -16.612 1.00 44.33 C ATOM 1177 CG GLU A 75 -6.087 -8.736 -16.176 1.00 43.23 C ATOM 1178 CD GLU A 75 -5.721 -10.088 -16.759 1.00 3.50 C ATOM 1179 OE1 GLU A 75 -4.851 -10.769 -16.175 1.00 73.24 O ATOM 1180 OE2 GLU A 75 -6.302 -10.463 -17.799 1.00 21.53 O ATOM 0 H GLU A 75 -7.291 -5.832 -16.972 1.00 43.04 H new ATOM 0 HA GLU A 75 -6.635 -8.019 -18.581 1.00 44.10 H new ATOM 0 HB2 GLU A 75 -7.833 -7.533 -15.893 1.00 44.33 H new ATOM 0 HB3 GLU A 75 -8.152 -9.110 -16.588 1.00 44.33 H new ATOM 0 HG2 GLU A 75 -5.342 -8.000 -16.479 1.00 43.23 H new ATOM 0 HG3 GLU A 75 -6.054 -8.793 -15.088 1.00 43.23 H new ATOM 1188 N GLU A 76 -9.895 -7.525 -18.258 1.00 31.52 N ATOM 1189 CA GLU A 76 -11.187 -7.828 -18.860 1.00 54.21 C ATOM 1190 C GLU A 76 -11.389 -7.031 -20.146 1.00 63.41 C ATOM 1191 O GLU A 76 -12.074 -7.479 -21.065 1.00 75.02 O ATOM 1192 CB GLU A 76 -12.318 -7.521 -17.876 1.00 33.45 C ATOM 1193 CG GLU A 76 -12.074 -8.069 -16.480 1.00 75.50 C ATOM 1194 CD GLU A 76 -11.534 -9.487 -16.495 1.00 55.41 C ATOM 1195 OE1 GLU A 76 -12.004 -10.291 -17.327 1.00 42.31 O ATOM 1196 OE2 GLU A 76 -10.642 -9.791 -15.676 1.00 53.00 O ATOM 0 H GLU A 76 -9.940 -6.895 -17.457 1.00 31.52 H new ATOM 0 HA GLU A 76 -11.204 -8.890 -19.104 1.00 54.21 H new ATOM 0 HB2 GLU A 76 -12.452 -6.441 -17.815 1.00 33.45 H new ATOM 0 HB3 GLU A 76 -13.248 -7.937 -18.263 1.00 33.45 H new ATOM 0 HG2 GLU A 76 -11.370 -7.422 -15.958 1.00 75.50 H new ATOM 0 HG3 GLU A 76 -13.007 -8.045 -15.916 1.00 75.50 H new ATOM 1204 N ALA A 77 -10.785 -5.849 -20.203 1.00 52.41 N ATOM 1205 CA ALA A 77 -10.896 -4.990 -21.376 1.00 30.24 C ATOM 1206 C ALA A 77 -9.872 -5.376 -22.437 1.00 41.24 C ATOM 1207 O ALA A 77 -9.753 -4.715 -23.468 1.00 23.04 O ATOM 1208 CB ALA A 77 -10.724 -3.531 -20.980 1.00 14.34 C ATOM 0 H ALA A 77 -10.214 -5.464 -19.451 1.00 52.41 H new ATOM 0 HA ALA A 77 -11.890 -5.125 -21.802 1.00 30.24 H new ATOM 0 HB1 ALA A 77 -10.809 -2.901 -21.866 1.00 14.34 H new ATOM 0 HB2 ALA A 77 -11.497 -3.255 -20.263 1.00 14.34 H new ATOM 0 HB3 ALA A 77 -9.742 -3.390 -20.528 1.00 14.34 H new ATOM 1214 N GLY A 78 -9.135 -6.452 -22.178 1.00 42.10 N ATOM 1215 CA GLY A 78 -8.129 -6.907 -23.122 1.00 11.34 C ATOM 1216 C GLY A 78 -7.135 -5.820 -23.478 1.00 0.31 C ATOM 1217 O GLY A 78 -6.515 -5.860 -24.540 1.00 22.23 O ATOM 0 H GLY A 78 -9.216 -7.017 -21.332 1.00 42.10 H new ATOM 0 HA2 GLY A 78 -7.596 -7.758 -22.698 1.00 11.34 H new ATOM 0 HA3 GLY A 78 -8.619 -7.258 -24.030 1.00 11.34 H new ATOM 1221 N GLY A 79 -6.984 -4.842 -22.590 1.00 11.23 N ATOM 1222 CA GLY A 79 -6.059 -3.752 -22.835 1.00 63.11 C ATOM 1223 C GLY A 79 -6.707 -2.595 -23.571 1.00 64.40 C ATOM 1224 O GLY A 79 -6.094 -1.988 -24.447 1.00 73.12 O ATOM 0 H GLY A 79 -7.487 -4.786 -21.704 1.00 11.23 H new ATOM 0 HA2 GLY A 79 -5.661 -3.397 -21.884 1.00 63.11 H new ATOM 0 HA3 GLY A 79 -5.214 -4.121 -23.416 1.00 63.11 H new ATOM 1228 N ASN A 80 -7.950 -2.292 -23.214 1.00 73.32 N ATOM 1229 CA ASN A 80 -8.683 -1.203 -23.850 1.00 11.13 C ATOM 1230 C ASN A 80 -8.991 -0.097 -22.845 1.00 32.00 C ATOM 1231 O ASN A 80 -9.876 -0.239 -22.000 1.00 71.45 O ATOM 1232 CB ASN A 80 -9.984 -1.725 -24.464 1.00 43.20 C ATOM 1233 CG ASN A 80 -10.343 -1.008 -25.751 1.00 32.33 C ATOM 1234 OD1 ASN A 80 -10.854 0.212 -25.626 1.00 23.31 O flip ATOM 1235 ND2 ASN A 80 -10.163 -1.544 -26.845 1.00 74.55 N flip ATOM 0 H ASN A 80 -8.471 -2.784 -22.488 1.00 73.32 H new ATOM 0 HA ASN A 80 -8.057 -0.789 -24.640 1.00 11.13 H new ATOM 0 HB2 ASN A 80 -9.887 -2.793 -24.661 1.00 43.20 H new ATOM 0 HB3 ASN A 80 -10.795 -1.605 -23.746 1.00 43.20 H new ATOM 0 HD21 ASN A 80 -9.768 -2.483 -26.894 1.00 74.55 H new ATOM 0 HD22 ASN A 80 -10.409 -1.049 -27.702 1.00 74.55 H new ATOM 1242 N TRP A 81 -8.256 1.005 -22.942 1.00 21.42 N ATOM 1243 CA TRP A 81 -8.451 2.136 -22.042 1.00 63.41 C ATOM 1244 C TRP A 81 -9.621 3.000 -22.499 1.00 13.11 C ATOM 1245 O TRP A 81 -10.189 3.758 -21.713 1.00 4.25 O ATOM 1246 CB TRP A 81 -7.177 2.980 -21.967 1.00 25.51 C ATOM 1247 CG TRP A 81 -5.986 2.214 -21.474 1.00 41.25 C ATOM 1248 CD1 TRP A 81 -5.200 1.365 -22.200 1.00 44.31 C ATOM 1249 CD2 TRP A 81 -5.447 2.227 -20.148 1.00 53.21 C ATOM 1250 NE1 TRP A 81 -4.205 0.850 -21.405 1.00 15.24 N ATOM 1251 CE2 TRP A 81 -4.335 1.363 -20.141 1.00 3.42 C ATOM 1252 CE3 TRP A 81 -5.796 2.886 -18.965 1.00 42.32 C ATOM 1253 CZ2 TRP A 81 -3.572 1.143 -18.998 1.00 65.40 C ATOM 1254 CZ3 TRP A 81 -5.038 2.665 -17.831 1.00 51.15 C ATOM 1255 CH2 TRP A 81 -3.936 1.800 -17.855 1.00 4.31 C ATOM 0 H TRP A 81 -7.520 1.140 -23.635 1.00 21.42 H new ATOM 0 HA TRP A 81 -8.678 1.744 -21.051 1.00 63.41 H new ATOM 0 HB2 TRP A 81 -6.957 3.382 -22.956 1.00 25.51 H new ATOM 0 HB3 TRP A 81 -7.351 3.831 -21.308 1.00 25.51 H new ATOM 0 HD1 TRP A 81 -5.340 1.133 -23.245 1.00 44.31 H new ATOM 0 HE1 TRP A 81 -3.486 0.192 -21.707 1.00 15.24 H new ATOM 0 HE3 TRP A 81 -6.643 3.556 -18.938 1.00 42.32 H new ATOM 0 HZ2 TRP A 81 -2.722 0.477 -19.013 1.00 65.40 H new ATOM 0 HZ3 TRP A 81 -5.299 3.167 -16.911 1.00 51.15 H new ATOM 0 HH2 TRP A 81 -3.362 1.649 -16.953 1.00 4.31 H new ATOM 1266 N SER A 82 -9.977 2.881 -23.774 1.00 21.41 N ATOM 1267 CA SER A 82 -11.079 3.654 -24.336 1.00 65.31 C ATOM 1268 C SER A 82 -12.340 3.492 -23.494 1.00 0.52 C ATOM 1269 O SER A 82 -12.950 4.476 -23.076 1.00 14.31 O ATOM 1270 CB SER A 82 -11.353 3.216 -25.776 1.00 43.41 C ATOM 1271 OG SER A 82 -11.877 4.287 -26.542 1.00 54.55 O ATOM 0 H SER A 82 -9.518 2.257 -24.438 1.00 21.41 H new ATOM 0 HA SER A 82 -10.793 4.706 -24.332 1.00 65.31 H new ATOM 0 HB2 SER A 82 -10.431 2.855 -26.232 1.00 43.41 H new ATOM 0 HB3 SER A 82 -12.057 2.384 -25.779 1.00 43.41 H new ATOM 0 HG SER A 82 -12.042 3.983 -27.459 1.00 54.55 H new ATOM 1277 N TYR A 83 -12.725 2.245 -23.250 1.00 33.01 N ATOM 1278 CA TYR A 83 -13.916 1.953 -22.461 1.00 0.12 C ATOM 1279 C TYR A 83 -13.644 2.152 -20.972 1.00 74.33 C ATOM 1280 O TYR A 83 -14.472 2.706 -20.248 1.00 31.01 O ATOM 1281 CB TYR A 83 -14.386 0.520 -22.718 1.00 25.05 C ATOM 1282 CG TYR A 83 -15.263 -0.036 -21.619 1.00 70.14 C ATOM 1283 CD1 TYR A 83 -14.712 -0.713 -20.538 1.00 62.33 C ATOM 1284 CD2 TYR A 83 -16.644 0.117 -21.661 1.00 40.22 C ATOM 1285 CE1 TYR A 83 -15.510 -1.224 -19.533 1.00 1.10 C ATOM 1286 CE2 TYR A 83 -17.449 -0.389 -20.660 1.00 54.31 C ATOM 1287 CZ TYR A 83 -16.878 -1.059 -19.598 1.00 40.13 C ATOM 1288 OH TYR A 83 -17.676 -1.564 -18.598 1.00 51.11 O ATOM 0 H TYR A 83 -12.230 1.420 -23.587 1.00 33.01 H new ATOM 0 HA TYR A 83 -14.701 2.645 -22.765 1.00 0.12 H new ATOM 0 HB2 TYR A 83 -14.935 0.490 -23.659 1.00 25.05 H new ATOM 0 HB3 TYR A 83 -13.514 -0.124 -22.836 1.00 25.05 H new ATOM 0 HD1 TYR A 83 -13.641 -0.842 -20.483 1.00 62.33 H new ATOM 0 HD2 TYR A 83 -17.095 0.641 -22.491 1.00 40.22 H new ATOM 0 HE1 TYR A 83 -15.065 -1.750 -18.701 1.00 1.10 H new ATOM 0 HE2 TYR A 83 -18.520 -0.261 -20.708 1.00 54.31 H new ATOM 0 HH TYR A 83 -18.614 -1.361 -18.795 1.00 51.11 H new ATOM 1298 N ILE A 84 -12.481 1.695 -20.524 1.00 65.01 N ATOM 1299 CA ILE A 84 -12.099 1.823 -19.123 1.00 43.23 C ATOM 1300 C ILE A 84 -12.085 3.285 -18.688 1.00 72.32 C ATOM 1301 O ILE A 84 -12.255 3.596 -17.509 1.00 21.53 O ATOM 1302 CB ILE A 84 -10.711 1.208 -18.859 1.00 43.42 C ATOM 1303 CG1 ILE A 84 -10.741 -0.300 -19.111 1.00 75.30 C ATOM 1304 CG2 ILE A 84 -10.262 1.505 -17.436 1.00 73.12 C ATOM 1305 CD1 ILE A 84 -9.382 -0.957 -19.014 1.00 4.41 C ATOM 0 H ILE A 84 -11.786 1.233 -21.110 1.00 65.01 H new ATOM 0 HA ILE A 84 -12.845 1.280 -18.542 1.00 43.23 H new ATOM 0 HB ILE A 84 -9.994 1.657 -19.546 1.00 43.42 H new ATOM 0 HG12 ILE A 84 -11.413 -0.767 -18.391 1.00 75.30 H new ATOM 0 HG13 ILE A 84 -11.156 -0.486 -20.102 1.00 75.30 H new ATOM 0 HG21 ILE A 84 -9.280 1.064 -17.265 1.00 73.12 H new ATOM 0 HG22 ILE A 84 -10.206 2.584 -17.290 1.00 73.12 H new ATOM 0 HG23 ILE A 84 -10.978 1.080 -16.732 1.00 73.12 H new ATOM 0 HD11 ILE A 84 -9.480 -2.026 -19.204 1.00 4.41 H new ATOM 0 HD12 ILE A 84 -8.712 -0.517 -19.752 1.00 4.41 H new ATOM 0 HD13 ILE A 84 -8.973 -0.802 -18.015 1.00 4.41 H new ATOM 1317 N LYS A 85 -11.886 4.180 -19.650 1.00 2.54 N ATOM 1318 CA LYS A 85 -11.853 5.611 -19.368 1.00 52.04 C ATOM 1319 C LYS A 85 -13.196 6.258 -19.691 1.00 41.22 C ATOM 1320 O LYS A 85 -13.330 7.483 -19.660 1.00 22.13 O ATOM 1321 CB LYS A 85 -10.742 6.286 -20.177 1.00 73.32 C ATOM 1322 CG LYS A 85 -11.205 6.811 -21.525 1.00 22.41 C ATOM 1323 CD LYS A 85 -10.087 6.764 -22.554 1.00 14.40 C ATOM 1324 CE LYS A 85 -8.815 7.407 -22.024 1.00 41.45 C ATOM 1325 NZ LYS A 85 -9.062 8.781 -21.503 1.00 72.34 N ATOM 0 H LYS A 85 -11.745 3.940 -20.631 1.00 2.54 H new ATOM 0 HA LYS A 85 -11.651 5.743 -18.305 1.00 52.04 H new ATOM 0 HB2 LYS A 85 -10.332 7.112 -19.596 1.00 73.32 H new ATOM 0 HB3 LYS A 85 -9.933 5.573 -20.333 1.00 73.32 H new ATOM 0 HG2 LYS A 85 -12.050 6.219 -21.877 1.00 22.41 H new ATOM 0 HG3 LYS A 85 -11.558 7.837 -21.416 1.00 22.41 H new ATOM 0 HD2 LYS A 85 -9.886 5.728 -22.827 1.00 14.40 H new ATOM 0 HD3 LYS A 85 -10.405 7.277 -23.462 1.00 14.40 H new ATOM 0 HE2 LYS A 85 -8.399 6.787 -21.230 1.00 41.45 H new ATOM 0 HE3 LYS A 85 -8.071 7.449 -22.819 1.00 41.45 H new ATOM 0 HZ1 LYS A 85 -8.244 9.386 -21.718 1.00 72.34 H new ATOM 0 HZ2 LYS A 85 -9.912 9.176 -21.954 1.00 72.34 H new ATOM 0 HZ3 LYS A 85 -9.203 8.742 -20.473 1.00 72.34 H new ATOM 1339 N LEU A 86 -14.188 5.430 -20.000 1.00 12.41 N ATOM 1340 CA LEU A 86 -15.522 5.923 -20.327 1.00 22.03 C ATOM 1341 C LEU A 86 -16.140 6.650 -19.137 1.00 31.22 C ATOM 1342 O LEU A 86 -17.110 7.395 -19.287 1.00 24.03 O ATOM 1343 CB LEU A 86 -16.423 4.765 -20.756 1.00 34.23 C ATOM 1344 CG LEU A 86 -17.740 5.153 -21.431 1.00 32.13 C ATOM 1345 CD1 LEU A 86 -18.135 4.114 -22.468 1.00 44.23 C ATOM 1346 CD2 LEU A 86 -18.842 5.320 -20.393 1.00 44.44 C ATOM 0 H LEU A 86 -14.094 4.415 -20.031 1.00 12.41 H new ATOM 0 HA LEU A 86 -15.430 6.629 -21.153 1.00 22.03 H new ATOM 0 HB2 LEU A 86 -15.861 4.128 -21.439 1.00 34.23 H new ATOM 0 HB3 LEU A 86 -16.652 4.164 -19.876 1.00 34.23 H new ATOM 0 HG LEU A 86 -17.599 6.107 -21.939 1.00 32.13 H new ATOM 0 HD11 LEU A 86 -19.074 4.407 -22.937 1.00 44.23 H new ATOM 0 HD12 LEU A 86 -17.356 4.044 -23.227 1.00 44.23 H new ATOM 0 HD13 LEU A 86 -18.258 3.145 -21.984 1.00 44.23 H new ATOM 0 HD21 LEU A 86 -19.772 5.596 -20.891 1.00 44.44 H new ATOM 0 HD22 LEU A 86 -18.982 4.381 -19.857 1.00 44.44 H new ATOM 0 HD23 LEU A 86 -18.562 6.102 -19.688 1.00 44.44 H new ATOM 1358 N ASP A 87 -15.574 6.430 -17.955 1.00 45.33 N ATOM 1359 CA ASP A 87 -16.067 7.066 -16.740 1.00 4.24 C ATOM 1360 C ASP A 87 -14.913 7.618 -15.909 1.00 33.43 C ATOM 1361 O ASP A 87 -15.012 7.729 -14.687 1.00 52.21 O ATOM 1362 CB ASP A 87 -16.879 6.071 -15.910 1.00 32.40 C ATOM 1363 CG ASP A 87 -17.883 5.303 -16.748 1.00 21.21 C ATOM 1364 OD1 ASP A 87 -17.594 4.139 -17.103 1.00 13.35 O ATOM 1365 OD2 ASP A 87 -18.957 5.863 -17.048 1.00 4.44 O ATOM 0 H ASP A 87 -14.773 5.815 -17.813 1.00 45.33 H new ATOM 0 HA ASP A 87 -16.712 7.895 -17.030 1.00 4.24 H new ATOM 0 HB2 ASP A 87 -16.201 5.368 -15.425 1.00 32.40 H new ATOM 0 HB3 ASP A 87 -17.404 6.606 -15.118 1.00 32.40 H new ATOM 1371 N ASN A 88 -13.818 7.962 -16.579 1.00 71.14 N ATOM 1372 CA ASN A 88 -12.645 8.501 -15.902 1.00 62.43 C ATOM 1373 C ASN A 88 -12.009 7.450 -14.996 1.00 21.33 C ATOM 1374 O ASN A 88 -11.586 7.751 -13.880 1.00 41.51 O ATOM 1375 CB ASN A 88 -13.024 9.735 -15.082 1.00 34.44 C ATOM 1376 CG ASN A 88 -11.932 10.786 -15.080 1.00 41.14 C ATOM 1377 OD1 ASN A 88 -10.699 10.359 -14.835 1.00 4.44 O flip ATOM 1378 ND2 ASN A 88 -12.195 11.969 -15.297 1.00 50.14 N flip ATOM 0 H ASN A 88 -13.719 7.877 -17.591 1.00 71.14 H new ATOM 0 HA ASN A 88 -11.918 8.788 -16.662 1.00 62.43 H new ATOM 0 HB2 ASN A 88 -13.940 10.168 -15.484 1.00 34.44 H new ATOM 0 HB3 ASN A 88 -13.237 9.435 -14.056 1.00 34.44 H new ATOM 0 HD21 ASN A 88 -13.158 12.252 -15.481 1.00 50.14 H new ATOM 0 HD22 ASN A 88 -11.450 12.666 -15.293 1.00 50.14 H new ATOM 1385 N TYR A 89 -11.947 6.216 -15.484 1.00 45.33 N ATOM 1386 CA TYR A 89 -11.364 5.120 -14.719 1.00 13.05 C ATOM 1387 C TYR A 89 -12.137 4.891 -13.422 1.00 71.14 C ATOM 1388 O TYR A 89 -11.548 4.635 -12.371 1.00 35.01 O ATOM 1389 CB TYR A 89 -9.896 5.412 -14.405 1.00 50.04 C ATOM 1390 CG TYR A 89 -9.053 5.663 -15.634 1.00 52.45 C ATOM 1391 CD1 TYR A 89 -9.355 5.053 -16.845 1.00 75.24 C ATOM 1392 CD2 TYR A 89 -7.955 6.512 -15.586 1.00 13.42 C ATOM 1393 CE1 TYR A 89 -8.587 5.279 -17.971 1.00 73.15 C ATOM 1394 CE2 TYR A 89 -7.182 6.746 -16.708 1.00 2.23 C ATOM 1395 CZ TYR A 89 -7.503 6.127 -17.898 1.00 25.53 C ATOM 1396 OH TYR A 89 -6.736 6.357 -19.017 1.00 25.54 O ATOM 0 H TYR A 89 -12.293 5.950 -16.406 1.00 45.33 H new ATOM 0 HA TYR A 89 -11.426 4.215 -15.324 1.00 13.05 H new ATOM 0 HB2 TYR A 89 -9.839 6.283 -13.752 1.00 50.04 H new ATOM 0 HB3 TYR A 89 -9.477 4.571 -13.853 1.00 50.04 H new ATOM 0 HD1 TYR A 89 -10.205 4.390 -16.907 1.00 75.24 H new ATOM 0 HD2 TYR A 89 -7.701 6.998 -14.656 1.00 13.42 H new ATOM 0 HE1 TYR A 89 -8.835 4.794 -18.903 1.00 73.15 H new ATOM 0 HE2 TYR A 89 -6.332 7.410 -16.653 1.00 2.23 H new ATOM 0 HH TYR A 89 -6.285 5.528 -19.280 1.00 25.54 H new ATOM 1406 N THR A 90 -13.461 4.983 -13.505 1.00 42.42 N ATOM 1407 CA THR A 90 -14.315 4.787 -12.342 1.00 2.00 C ATOM 1408 C THR A 90 -13.992 3.475 -11.637 1.00 64.34 C ATOM 1409 O THR A 90 -14.163 3.351 -10.425 1.00 4.14 O ATOM 1410 CB THR A 90 -15.805 4.794 -12.731 1.00 21.14 C ATOM 1411 OG1 THR A 90 -16.208 6.116 -13.104 1.00 72.02 O ATOM 1412 CG2 THR A 90 -16.668 4.302 -11.579 1.00 75.50 C ATOM 0 H THR A 90 -13.964 5.192 -14.367 1.00 42.42 H new ATOM 0 HA THR A 90 -14.120 5.618 -11.664 1.00 2.00 H new ATOM 0 HB THR A 90 -15.939 4.121 -13.578 1.00 21.14 H new ATOM 0 HG1 THR A 90 -15.445 6.593 -13.493 1.00 72.02 H new ATOM 0 HG21 THR A 90 -17.716 4.316 -11.878 1.00 75.50 H new ATOM 0 HG22 THR A 90 -16.379 3.284 -11.317 1.00 75.50 H new ATOM 0 HG23 THR A 90 -16.528 4.953 -10.716 1.00 75.50 H new ATOM 1420 N ALA A 91 -13.524 2.496 -12.405 1.00 64.32 N ATOM 1421 CA ALA A 91 -13.173 1.193 -11.854 1.00 31.12 C ATOM 1422 C ALA A 91 -12.157 1.330 -10.725 1.00 64.20 C ATOM 1423 O ALA A 91 -12.188 0.573 -9.753 1.00 1.40 O ATOM 1424 CB ALA A 91 -12.632 0.285 -12.948 1.00 2.41 C ATOM 0 H ALA A 91 -13.379 2.581 -13.411 1.00 64.32 H new ATOM 0 HA ALA A 91 -14.077 0.745 -11.441 1.00 31.12 H new ATOM 0 HB1 ALA A 91 -12.374 -0.684 -12.522 1.00 2.41 H new ATOM 0 HB2 ALA A 91 -13.391 0.152 -13.719 1.00 2.41 H new ATOM 0 HB3 ALA A 91 -11.743 0.736 -13.388 1.00 2.41 H new ATOM 1430 N LEU A 92 -11.257 2.297 -10.859 1.00 70.24 N ATOM 1431 CA LEU A 92 -10.229 2.532 -9.851 1.00 14.03 C ATOM 1432 C LEU A 92 -10.845 3.063 -8.561 1.00 32.33 C ATOM 1433 O LEU A 92 -10.383 2.749 -7.464 1.00 62.43 O ATOM 1434 CB LEU A 92 -9.188 3.521 -10.376 1.00 44.14 C ATOM 1435 CG LEU A 92 -9.544 5.003 -10.249 1.00 30.21 C ATOM 1436 CD1 LEU A 92 -9.080 5.550 -8.908 1.00 40.52 C ATOM 1437 CD2 LEU A 92 -8.933 5.799 -11.393 1.00 50.43 C ATOM 0 H LEU A 92 -11.218 2.932 -11.656 1.00 70.24 H new ATOM 0 HA LEU A 92 -9.741 1.581 -9.636 1.00 14.03 H new ATOM 0 HB2 LEU A 92 -8.251 3.347 -9.847 1.00 44.14 H new ATOM 0 HB3 LEU A 92 -9.005 3.301 -11.428 1.00 44.14 H new ATOM 0 HG LEU A 92 -10.628 5.102 -10.303 1.00 30.21 H new ATOM 0 HD11 LEU A 92 -9.342 6.606 -8.835 1.00 40.52 H new ATOM 0 HD12 LEU A 92 -9.566 4.999 -8.103 1.00 40.52 H new ATOM 0 HD13 LEU A 92 -7.999 5.438 -8.824 1.00 40.52 H new ATOM 0 HD21 LEU A 92 -9.197 6.851 -11.286 1.00 50.43 H new ATOM 0 HD22 LEU A 92 -7.848 5.693 -11.371 1.00 50.43 H new ATOM 0 HD23 LEU A 92 -9.315 5.424 -12.342 1.00 50.43 H new ATOM 1449 N VAL A 93 -11.894 3.869 -8.699 1.00 22.22 N ATOM 1450 CA VAL A 93 -12.577 4.440 -7.544 1.00 42.00 C ATOM 1451 C VAL A 93 -13.153 3.349 -6.650 1.00 31.43 C ATOM 1452 O VAL A 93 -12.928 3.339 -5.440 1.00 25.23 O ATOM 1453 CB VAL A 93 -13.711 5.388 -7.975 1.00 34.31 C ATOM 1454 CG1 VAL A 93 -14.644 5.670 -6.807 1.00 60.32 C ATOM 1455 CG2 VAL A 93 -13.140 6.681 -8.536 1.00 12.35 C ATOM 0 H VAL A 93 -12.289 4.141 -9.599 1.00 22.22 H new ATOM 0 HA VAL A 93 -11.832 5.007 -6.985 1.00 42.00 H new ATOM 0 HB VAL A 93 -14.289 4.902 -8.761 1.00 34.31 H new ATOM 0 HG11 VAL A 93 -15.439 6.342 -7.130 1.00 60.32 H new ATOM 0 HG12 VAL A 93 -15.080 4.735 -6.455 1.00 60.32 H new ATOM 0 HG13 VAL A 93 -14.083 6.136 -5.997 1.00 60.32 H new ATOM 0 HG21 VAL A 93 -13.956 7.339 -8.836 1.00 12.35 H new ATOM 0 HG22 VAL A 93 -12.538 7.174 -7.773 1.00 12.35 H new ATOM 0 HG23 VAL A 93 -12.517 6.458 -9.402 1.00 12.35 H new ATOM 1465 N ASP A 94 -13.898 2.429 -7.254 1.00 44.32 N ATOM 1466 CA ASP A 94 -14.507 1.330 -6.513 1.00 61.14 C ATOM 1467 C ASP A 94 -13.463 0.281 -6.142 1.00 63.41 C ATOM 1468 O ASP A 94 -13.587 -0.399 -5.124 1.00 74.51 O ATOM 1469 CB ASP A 94 -15.623 0.687 -7.338 1.00 12.32 C ATOM 1470 CG ASP A 94 -16.645 -0.022 -6.472 1.00 73.32 C ATOM 1471 OD1 ASP A 94 -16.431 -1.211 -6.154 1.00 24.12 O ATOM 1472 OD2 ASP A 94 -17.661 0.610 -6.114 1.00 4.15 O ATOM 0 H ASP A 94 -14.095 2.423 -8.255 1.00 44.32 H new ATOM 0 HA ASP A 94 -14.932 1.735 -5.595 1.00 61.14 H new ATOM 0 HB2 ASP A 94 -16.122 1.454 -7.930 1.00 12.32 H new ATOM 0 HB3 ASP A 94 -15.189 -0.025 -8.040 1.00 12.32 H new ATOM 1478 N ALA A 95 -12.435 0.156 -6.976 1.00 20.51 N ATOM 1479 CA ALA A 95 -11.370 -0.809 -6.734 1.00 62.44 C ATOM 1480 C ALA A 95 -10.527 -0.408 -5.530 1.00 3.45 C ATOM 1481 O ALA A 95 -10.394 -1.170 -4.571 1.00 44.12 O ATOM 1482 CB ALA A 95 -10.495 -0.949 -7.972 1.00 24.21 C ATOM 0 H ALA A 95 -12.318 0.711 -7.824 1.00 20.51 H new ATOM 0 HA ALA A 95 -11.830 -1.773 -6.515 1.00 62.44 H new ATOM 0 HB1 ALA A 95 -9.703 -1.673 -7.778 1.00 24.21 H new ATOM 0 HB2 ALA A 95 -11.102 -1.291 -8.810 1.00 24.21 H new ATOM 0 HB3 ALA A 95 -10.052 0.017 -8.216 1.00 24.21 H new ATOM 1488 N ILE A 96 -9.959 0.793 -5.584 1.00 60.42 N ATOM 1489 CA ILE A 96 -9.129 1.295 -4.497 1.00 23.34 C ATOM 1490 C ILE A 96 -9.913 1.357 -3.190 1.00 65.55 C ATOM 1491 O ILE A 96 -9.434 0.916 -2.145 1.00 25.21 O ATOM 1492 CB ILE A 96 -8.572 2.695 -4.814 1.00 54.14 C ATOM 1493 CG1 ILE A 96 -7.692 2.646 -6.065 1.00 3.02 C ATOM 1494 CG2 ILE A 96 -7.787 3.235 -3.628 1.00 62.43 C ATOM 1495 CD1 ILE A 96 -6.445 1.807 -5.894 1.00 70.51 C ATOM 0 H ILE A 96 -10.059 1.436 -6.370 1.00 60.42 H new ATOM 0 HA ILE A 96 -8.298 0.598 -4.387 1.00 23.34 H new ATOM 0 HB ILE A 96 -9.408 3.367 -5.007 1.00 54.14 H new ATOM 0 HG12 ILE A 96 -8.276 2.249 -6.895 1.00 3.02 H new ATOM 0 HG13 ILE A 96 -7.403 3.661 -6.336 1.00 3.02 H new ATOM 0 HG21 ILE A 96 -7.400 4.225 -3.868 1.00 62.43 H new ATOM 0 HG22 ILE A 96 -8.441 3.302 -2.759 1.00 62.43 H new ATOM 0 HG23 ILE A 96 -6.956 2.565 -3.406 1.00 62.43 H new ATOM 0 HD11 ILE A 96 -5.870 1.818 -6.820 1.00 70.51 H new ATOM 0 HD12 ILE A 96 -5.839 2.216 -5.085 1.00 70.51 H new ATOM 0 HD13 ILE A 96 -6.726 0.782 -5.653 1.00 70.51 H new ATOM 1507 N TYR A 97 -11.121 1.903 -3.258 1.00 33.31 N ATOM 1508 CA TYR A 97 -11.973 2.022 -2.079 1.00 43.11 C ATOM 1509 C TYR A 97 -12.289 0.650 -1.495 1.00 30.23 C ATOM 1510 O TYR A 97 -12.491 0.508 -0.288 1.00 42.31 O ATOM 1511 CB TYR A 97 -13.271 2.750 -2.435 1.00 24.25 C ATOM 1512 CG TYR A 97 -13.144 4.256 -2.419 1.00 54.20 C ATOM 1513 CD1 TYR A 97 -12.134 4.895 -3.126 1.00 44.53 C ATOM 1514 CD2 TYR A 97 -14.036 5.041 -1.698 1.00 12.13 C ATOM 1515 CE1 TYR A 97 -12.013 6.272 -3.116 1.00 32.43 C ATOM 1516 CE2 TYR A 97 -13.924 6.418 -1.682 1.00 70.00 C ATOM 1517 CZ TYR A 97 -12.912 7.028 -2.393 1.00 0.12 C ATOM 1518 OH TYR A 97 -12.797 8.400 -2.379 1.00 24.33 O ATOM 0 H TYR A 97 -11.533 2.270 -4.116 1.00 33.31 H new ATOM 0 HA TYR A 97 -11.434 2.600 -1.328 1.00 43.11 H new ATOM 0 HB2 TYR A 97 -13.596 2.432 -3.425 1.00 24.25 H new ATOM 0 HB3 TYR A 97 -14.049 2.452 -1.733 1.00 24.25 H new ATOM 0 HD1 TYR A 97 -11.430 4.305 -3.694 1.00 44.53 H new ATOM 0 HD2 TYR A 97 -14.830 4.567 -1.141 1.00 12.13 H new ATOM 0 HE1 TYR A 97 -11.220 6.752 -3.670 1.00 32.43 H new ATOM 0 HE2 TYR A 97 -14.625 7.013 -1.116 1.00 70.00 H new ATOM 0 HH TYR A 97 -13.508 8.782 -1.824 1.00 24.33 H new ATOM 1528 N SER A 98 -12.329 -0.360 -2.358 1.00 54.44 N ATOM 1529 CA SER A 98 -12.624 -1.722 -1.929 1.00 43.14 C ATOM 1530 C SER A 98 -11.413 -2.350 -1.246 1.00 75.24 C ATOM 1531 O SER A 98 -11.504 -2.832 -0.117 1.00 1.44 O ATOM 1532 CB SER A 98 -13.048 -2.575 -3.126 1.00 74.31 C ATOM 1533 OG SER A 98 -13.229 -3.930 -2.749 1.00 1.44 O ATOM 0 H SER A 98 -12.161 -0.261 -3.359 1.00 54.44 H new ATOM 0 HA SER A 98 -13.444 -1.682 -1.212 1.00 43.14 H new ATOM 0 HB2 SER A 98 -13.975 -2.184 -3.545 1.00 74.31 H new ATOM 0 HB3 SER A 98 -12.292 -2.510 -3.909 1.00 74.31 H new ATOM 0 HG SER A 98 -13.501 -4.454 -3.531 1.00 1.44 H new ATOM 1539 N VAL A 99 -10.279 -2.342 -1.940 1.00 53.51 N ATOM 1540 CA VAL A 99 -9.049 -2.909 -1.401 1.00 21.02 C ATOM 1541 C VAL A 99 -8.577 -2.134 -0.176 1.00 22.51 C ATOM 1542 O VAL A 99 -8.321 -2.717 0.877 1.00 4.11 O ATOM 1543 CB VAL A 99 -7.926 -2.916 -2.455 1.00 3.54 C ATOM 1544 CG1 VAL A 99 -6.744 -3.741 -1.970 1.00 71.24 C ATOM 1545 CG2 VAL A 99 -8.446 -3.443 -3.784 1.00 3.52 C ATOM 0 H VAL A 99 -10.187 -1.949 -2.877 1.00 53.51 H new ATOM 0 HA VAL A 99 -9.273 -3.936 -1.113 1.00 21.02 H new ATOM 0 HB VAL A 99 -7.586 -1.891 -2.605 1.00 3.54 H new ATOM 0 HG11 VAL A 99 -5.960 -3.735 -2.728 1.00 71.24 H new ATOM 0 HG12 VAL A 99 -6.358 -3.314 -1.045 1.00 71.24 H new ATOM 0 HG13 VAL A 99 -7.066 -4.767 -1.790 1.00 71.24 H new ATOM 0 HG21 VAL A 99 -7.639 -3.441 -4.517 1.00 3.52 H new ATOM 0 HG22 VAL A 99 -8.815 -4.460 -3.653 1.00 3.52 H new ATOM 0 HG23 VAL A 99 -9.257 -2.806 -4.136 1.00 3.52 H new ATOM 1555 N GLU A 100 -8.466 -0.817 -0.322 1.00 65.51 N ATOM 1556 CA GLU A 100 -8.024 0.037 0.774 1.00 4.01 C ATOM 1557 C GLU A 100 -8.826 -0.246 2.042 1.00 62.02 C ATOM 1558 O GLU A 100 -8.314 -0.116 3.154 1.00 52.21 O ATOM 1559 CB GLU A 100 -8.162 1.510 0.389 1.00 52.50 C ATOM 1560 CG GLU A 100 -9.579 2.043 0.515 1.00 73.13 C ATOM 1561 CD GLU A 100 -9.888 2.555 1.909 1.00 53.34 C ATOM 1562 OE1 GLU A 100 -11.020 2.328 2.387 1.00 65.43 O ATOM 1563 OE2 GLU A 100 -9.000 3.184 2.521 1.00 64.44 O ATOM 0 H GLU A 100 -8.676 -0.319 -1.187 1.00 65.51 H new ATOM 0 HA GLU A 100 -6.975 -0.183 0.972 1.00 4.01 H new ATOM 0 HB2 GLU A 100 -7.502 2.105 1.020 1.00 52.50 H new ATOM 0 HB3 GLU A 100 -7.824 1.641 -0.639 1.00 52.50 H new ATOM 0 HG2 GLU A 100 -9.726 2.848 -0.205 1.00 73.13 H new ATOM 0 HG3 GLU A 100 -10.285 1.253 0.257 1.00 73.13 H new