USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 266 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 32 SER OG : rot -76:sc= 1.3 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0.487 K(o=0.49,f=-0.25) USER MOD Single : A 37 ASN : amide:sc= 0.214 K(o=0.21,f=-6.1!) USER MOD Single : A 38 MET CE :methyl -162:sc= -0.087 (180deg=-0.596) USER MOD Single : A 40 SER OG : rot -32:sc= 0.156 USER MOD Single : A 42 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0122) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 55 GLN : amide:sc= -1.77! K(o=-1.8!,f=-0.14) USER MOD Single : A 57 GLN : amide:sc= -0.107 K(o=-0.11,f=-0.82) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.864 K(o=-0.86,f=-0.06) USER MOD ----------------------------------------------------------------- ATOM 443 N PHE A 31 -32.049 3.591 8.179 1.00 7.30 N ATOM 444 CA PHE A 31 -31.130 3.608 9.300 1.00 7.33 C ATOM 445 C PHE A 31 -30.785 5.043 9.672 1.00 7.51 C ATOM 446 O PHE A 31 -29.685 5.292 10.177 1.00 7.81 O ATOM 447 CB PHE A 31 -29.844 2.882 8.933 1.00 7.36 C ATOM 448 CG PHE A 31 -30.048 1.542 8.279 1.00 7.57 C ATOM 449 CD1 PHE A 31 -30.325 0.420 9.041 1.00 7.97 C ATOM 450 CD2 PHE A 31 -29.967 1.408 6.905 1.00 7.70 C ATOM 451 CE1 PHE A 31 -30.515 -0.810 8.441 1.00 8.50 C ATOM 452 CE2 PHE A 31 -30.156 0.182 6.299 1.00 8.21 C ATOM 453 CZ PHE A 31 -30.431 -0.929 7.069 1.00 8.62 C ATOM 0 HA PHE A 31 -31.609 3.111 10.143 1.00 7.33 H new ATOM 0 HB2 PHE A 31 -29.263 3.515 8.262 1.00 7.36 H new ATOM 0 HB3 PHE A 31 -29.249 2.745 9.836 1.00 7.36 H new ATOM 0 HD1 PHE A 31 -30.393 0.507 10.115 1.00 7.97 H new ATOM 0 HD2 PHE A 31 -29.753 2.275 6.297 1.00 7.70 H new ATOM 0 HE1 PHE A 31 -30.729 -1.679 9.046 1.00 8.50 H new ATOM 0 HE2 PHE A 31 -30.089 0.093 5.225 1.00 8.21 H new ATOM 0 HZ PHE A 31 -30.580 -1.890 6.599 1.00 8.62 H new ATOM 463 N SER A 32 -31.754 5.943 9.446 1.00 7.60 N ATOM 464 CA SER A 32 -31.596 7.402 9.580 1.00 8.12 C ATOM 465 C SER A 32 -30.449 7.787 10.503 1.00 8.57 C ATOM 466 O SER A 32 -29.404 8.268 10.055 1.00 9.15 O ATOM 467 CB SER A 32 -32.903 8.010 10.102 1.00 8.65 C ATOM 468 OG SER A 32 -32.856 9.425 10.093 1.00 9.33 O ATOM 0 H SER A 32 -32.694 5.671 9.158 1.00 7.60 H new ATOM 0 HA SER A 32 -31.358 7.795 8.592 1.00 8.12 H new ATOM 0 HB2 SER A 32 -33.736 7.668 9.487 1.00 8.65 H new ATOM 0 HB3 SER A 32 -33.090 7.657 11.116 1.00 8.65 H new ATOM 0 HG SER A 32 -32.308 9.739 10.842 1.00 9.33 H new ATOM 474 N ASP A 33 -30.632 7.541 11.790 1.00 8.53 N ATOM 475 CA ASP A 33 -29.631 7.924 12.769 1.00 9.12 C ATOM 476 C ASP A 33 -29.321 6.775 13.722 1.00 9.48 C ATOM 477 O ASP A 33 -28.868 6.987 14.846 1.00 10.03 O ATOM 478 CB ASP A 33 -30.112 9.141 13.561 1.00 9.83 C ATOM 479 CG ASP A 33 -30.311 10.370 12.696 1.00 10.39 C ATOM 480 OD1 ASP A 33 -31.390 10.502 12.080 1.00 10.68 O ATOM 481 OD2 ASP A 33 -29.386 11.206 12.625 1.00 10.73 O ATOM 0 H ASP A 33 -31.456 7.082 12.177 1.00 8.53 H new ATOM 0 HA ASP A 33 -28.716 8.178 12.234 1.00 9.12 H new ATOM 0 HB2 ASP A 33 -31.051 8.897 14.057 1.00 9.83 H new ATOM 0 HB3 ASP A 33 -29.388 9.368 14.344 1.00 9.83 H new ATOM 486 N PHE A 34 -29.540 5.558 13.258 1.00 9.37 N ATOM 487 CA PHE A 34 -29.288 4.375 14.072 1.00 9.94 C ATOM 488 C PHE A 34 -27.904 3.816 13.764 1.00 9.93 C ATOM 489 O PHE A 34 -27.434 2.875 14.408 1.00 10.33 O ATOM 490 CB PHE A 34 -30.362 3.319 13.808 1.00 9.89 C ATOM 491 CG PHE A 34 -31.759 3.824 14.057 1.00 10.10 C ATOM 492 CD1 PHE A 34 -32.455 4.494 13.065 1.00 10.53 C ATOM 493 CD2 PHE A 34 -32.375 3.617 15.281 1.00 10.09 C ATOM 494 CE1 PHE A 34 -33.739 4.948 13.287 1.00 10.95 C ATOM 495 CE2 PHE A 34 -33.659 4.070 15.510 1.00 10.50 C ATOM 496 CZ PHE A 34 -34.329 4.771 14.520 1.00 10.92 C ATOM 0 H PHE A 34 -29.892 5.359 12.322 1.00 9.37 H new ATOM 0 HA PHE A 34 -29.325 4.653 15.125 1.00 9.94 H new ATOM 0 HB2 PHE A 34 -30.283 2.979 12.775 1.00 9.89 H new ATOM 0 HB3 PHE A 34 -30.176 2.453 14.443 1.00 9.89 H new ATOM 0 HD1 PHE A 34 -31.987 4.663 12.106 1.00 10.53 H new ATOM 0 HD2 PHE A 34 -31.845 3.096 16.064 1.00 10.09 H new ATOM 0 HE1 PHE A 34 -34.282 5.442 12.495 1.00 10.95 H new ATOM 0 HE2 PHE A 34 -34.140 3.879 16.458 1.00 10.50 H new ATOM 0 HZ PHE A 34 -35.311 5.177 14.714 1.00 10.92 H new ATOM 506 N SER A 35 -27.266 4.429 12.776 1.00 9.65 N ATOM 507 CA SER A 35 -25.937 4.040 12.331 1.00 9.74 C ATOM 508 C SER A 35 -25.535 4.931 11.169 1.00 9.44 C ATOM 509 O SER A 35 -24.362 5.260 11.000 1.00 9.50 O ATOM 510 CB SER A 35 -25.912 2.571 11.892 1.00 10.04 C ATOM 511 OG SER A 35 -24.590 2.124 11.632 1.00 10.16 O ATOM 0 H SER A 35 -27.660 5.215 12.258 1.00 9.65 H new ATOM 0 HA SER A 35 -25.236 4.155 13.157 1.00 9.74 H new ATOM 0 HB2 SER A 35 -26.360 1.951 12.669 1.00 10.04 H new ATOM 0 HB3 SER A 35 -26.521 2.448 10.996 1.00 10.04 H new ATOM 0 HG SER A 35 -24.611 1.184 11.356 1.00 10.16 H new ATOM 517 N ASN A 36 -26.544 5.323 10.382 1.00 9.30 N ATOM 518 CA ASN A 36 -26.347 6.155 9.199 1.00 9.24 C ATOM 519 C ASN A 36 -25.506 5.402 8.174 1.00 8.77 C ATOM 520 O ASN A 36 -24.773 5.986 7.378 1.00 8.94 O ATOM 521 CB ASN A 36 -25.711 7.499 9.575 1.00 9.46 C ATOM 522 CG ASN A 36 -25.883 8.545 8.487 1.00 10.11 C ATOM 523 OD1 ASN A 36 -24.992 8.766 7.671 1.00 10.51 O ATOM 524 ND2 ASN A 36 -27.048 9.176 8.457 1.00 10.41 N ATOM 0 H ASN A 36 -27.518 5.070 10.551 1.00 9.30 H new ATOM 0 HA ASN A 36 -27.317 6.374 8.752 1.00 9.24 H new ATOM 0 HB2 ASN A 36 -26.158 7.864 10.500 1.00 9.46 H new ATOM 0 HB3 ASN A 36 -24.649 7.353 9.771 1.00 9.46 H new ATOM 0 HD21 ASN A 36 -27.231 9.875 7.737 1.00 10.41 H new ATOM 0 HD22 ASN A 36 -27.762 8.963 9.154 1.00 10.41 H new ATOM 531 N ASN A 37 -25.660 4.086 8.187 1.00 8.43 N ATOM 532 CA ASN A 37 -24.943 3.204 7.275 1.00 8.29 C ATOM 533 C ASN A 37 -25.760 2.971 6.012 1.00 7.88 C ATOM 534 O ASN A 37 -25.561 1.978 5.310 1.00 7.92 O ATOM 535 CB ASN A 37 -24.658 1.853 7.944 1.00 8.59 C ATOM 536 CG ASN A 37 -25.925 1.116 8.348 1.00 9.45 C ATOM 537 OD1 ASN A 37 -26.919 1.726 8.741 1.00 9.82 O ATOM 538 ND2 ASN A 37 -25.904 -0.201 8.241 1.00 10.00 N ATOM 0 H ASN A 37 -26.285 3.599 8.829 1.00 8.43 H new ATOM 0 HA ASN A 37 -23.999 3.684 7.015 1.00 8.29 H new ATOM 0 HB2 ASN A 37 -24.082 1.229 7.261 1.00 8.59 H new ATOM 0 HB3 ASN A 37 -24.039 2.013 8.827 1.00 8.59 H new ATOM 0 HD21 ASN A 37 -26.730 -0.746 8.488 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -25.062 -0.673 7.911 1.00 10.00 H new ATOM 545 N MET A 38 -26.674 3.890 5.728 1.00 7.75 N ATOM 546 CA MET A 38 -27.544 3.785 4.567 1.00 7.70 C ATOM 547 C MET A 38 -26.728 3.892 3.288 1.00 7.11 C ATOM 548 O MET A 38 -26.159 4.941 2.979 1.00 7.09 O ATOM 549 CB MET A 38 -28.626 4.866 4.615 1.00 8.48 C ATOM 550 CG MET A 38 -29.521 4.760 5.838 1.00 9.45 C ATOM 551 SD MET A 38 -30.795 6.034 5.899 1.00 10.41 S ATOM 552 CE MET A 38 -29.793 7.520 5.994 1.00 10.82 C ATOM 0 H MET A 38 -26.832 4.724 6.293 1.00 7.75 H new ATOM 0 HA MET A 38 -28.034 2.812 4.580 1.00 7.70 H new ATOM 0 HB2 MET A 38 -28.151 5.847 4.603 1.00 8.48 H new ATOM 0 HB3 MET A 38 -29.239 4.798 3.716 1.00 8.48 H new ATOM 0 HG2 MET A 38 -29.996 3.779 5.848 1.00 9.45 H new ATOM 0 HG3 MET A 38 -28.907 4.826 6.736 1.00 9.45 H new ATOM 0 HE1 MET A 38 -30.404 8.348 6.354 1.00 10.82 H new ATOM 0 HE2 MET A 38 -28.963 7.356 6.681 1.00 10.82 H new ATOM 0 HE3 MET A 38 -29.403 7.760 5.005 1.00 10.82 H new ATOM 562 N GLY A 39 -26.660 2.787 2.565 1.00 6.94 N ATOM 563 CA GLY A 39 -25.845 2.723 1.370 1.00 6.72 C ATOM 564 C GLY A 39 -24.590 1.906 1.596 1.00 6.82 C ATOM 565 O GLY A 39 -24.069 1.285 0.669 1.00 7.22 O ATOM 0 H GLY A 39 -27.159 1.925 2.786 1.00 6.94 H new ATOM 0 HA2 GLY A 39 -26.424 2.285 0.557 1.00 6.72 H new ATOM 0 HA3 GLY A 39 -25.573 3.732 1.060 1.00 6.72 H new ATOM 569 N SER A 40 -24.102 1.933 2.838 1.00 6.70 N ATOM 570 CA SER A 40 -22.949 1.141 3.274 1.00 7.03 C ATOM 571 C SER A 40 -21.637 1.640 2.672 1.00 6.75 C ATOM 572 O SER A 40 -20.563 1.249 3.128 1.00 7.15 O ATOM 573 CB SER A 40 -23.149 -0.334 2.925 1.00 7.71 C ATOM 574 OG SER A 40 -22.182 -1.159 3.555 1.00 7.71 O ATOM 0 H SER A 40 -24.500 2.512 3.578 1.00 6.70 H new ATOM 0 HA SER A 40 -22.880 1.256 4.356 1.00 7.03 H new ATOM 0 HB2 SER A 40 -24.148 -0.647 3.229 1.00 7.71 H new ATOM 0 HB3 SER A 40 -23.089 -0.463 1.844 1.00 7.71 H new ATOM 0 HG SER A 40 -21.340 -0.665 3.646 1.00 7.71 H new ATOM 580 N ARG A 41 -21.736 2.507 1.662 1.00 6.32 N ATOM 581 CA ARG A 41 -20.574 2.993 0.918 1.00 6.15 C ATOM 582 C ARG A 41 -19.918 1.865 0.124 1.00 6.66 C ATOM 583 O ARG A 41 -19.296 0.961 0.691 1.00 6.86 O ATOM 584 CB ARG A 41 -19.541 3.654 1.839 1.00 5.64 C ATOM 585 CG ARG A 41 -19.894 5.073 2.268 1.00 5.83 C ATOM 586 CD ARG A 41 -21.010 5.094 3.300 1.00 6.30 C ATOM 587 NE ARG A 41 -20.636 4.403 4.532 1.00 6.60 N ATOM 588 CZ ARG A 41 -20.857 4.882 5.758 1.00 7.29 C ATOM 589 NH1 ARG A 41 -21.389 6.090 5.916 1.00 7.72 N ATOM 590 NH2 ARG A 41 -20.535 4.154 6.817 1.00 7.82 N ATOM 0 H ARG A 41 -22.624 2.891 1.338 1.00 6.32 H new ATOM 0 HA ARG A 41 -20.939 3.749 0.222 1.00 6.15 H new ATOM 0 HB2 ARG A 41 -19.420 3.038 2.730 1.00 5.64 H new ATOM 0 HB3 ARG A 41 -18.577 3.671 1.330 1.00 5.64 H new ATOM 0 HG2 ARG A 41 -19.009 5.558 2.681 1.00 5.83 H new ATOM 0 HG3 ARG A 41 -20.196 5.651 1.395 1.00 5.83 H new ATOM 0 HD2 ARG A 41 -21.271 6.127 3.530 1.00 6.30 H new ATOM 0 HD3 ARG A 41 -21.900 4.627 2.879 1.00 6.30 H new ATOM 0 HE ARG A 41 -20.176 3.496 4.450 1.00 6.60 H new ATOM 0 HH11 ARG A 41 -21.629 6.652 5.100 1.00 7.72 H new ATOM 0 HH12 ARG A 41 -21.557 6.455 6.854 1.00 7.72 H new ATOM 0 HH21 ARG A 41 -20.120 3.231 6.694 1.00 7.82 H new ATOM 0 HH22 ARG A 41 -20.702 4.517 7.755 1.00 7.82 H new ATOM 604 N LYS A 42 -20.064 1.921 -1.190 1.00 7.18 N ATOM 605 CA LYS A 42 -19.519 0.891 -2.067 1.00 7.95 C ATOM 606 C LYS A 42 -18.017 1.090 -2.255 1.00 7.64 C ATOM 607 O LYS A 42 -17.574 1.458 -3.342 1.00 7.95 O ATOM 608 CB LYS A 42 -20.210 0.927 -3.441 1.00 8.85 C ATOM 609 CG LYS A 42 -21.626 0.359 -3.481 1.00 9.40 C ATOM 610 CD LYS A 42 -22.591 1.168 -2.628 1.00 8.95 C ATOM 611 CE LYS A 42 -24.040 0.824 -2.929 1.00 9.61 C ATOM 612 NZ LYS A 42 -24.357 -0.600 -2.650 1.00 9.98 N ATOM 0 H LYS A 42 -20.557 2.670 -1.676 1.00 7.18 H new ATOM 0 HA LYS A 42 -19.700 -0.077 -1.600 1.00 7.95 H new ATOM 0 HB2 LYS A 42 -20.242 1.961 -3.785 1.00 8.85 H new ATOM 0 HB3 LYS A 42 -19.596 0.374 -4.152 1.00 8.85 H new ATOM 0 HG2 LYS A 42 -21.980 0.342 -4.512 1.00 9.40 H new ATOM 0 HG3 LYS A 42 -21.612 -0.673 -3.132 1.00 9.40 H new ATOM 0 HD2 LYS A 42 -22.386 0.983 -1.574 1.00 8.95 H new ATOM 0 HD3 LYS A 42 -22.427 2.231 -2.803 1.00 8.95 H new ATOM 0 HE2 LYS A 42 -24.693 1.462 -2.333 1.00 9.61 H new ATOM 0 HE3 LYS A 42 -24.252 1.041 -3.976 1.00 9.61 H new ATOM 0 HZ1 LYS A 42 -25.368 -0.771 -2.823 1.00 9.98 H new ATOM 0 HZ2 LYS A 42 -23.791 -1.210 -3.274 1.00 9.98 H new ATOM 0 HZ3 LYS A 42 -24.134 -0.817 -1.658 1.00 9.98 H new ATOM 626 N ASN A 43 -17.253 0.851 -1.188 1.00 7.18 N ATOM 627 CA ASN A 43 -15.798 1.046 -1.186 1.00 6.90 C ATOM 628 C ASN A 43 -15.432 2.453 -1.640 1.00 6.59 C ATOM 629 O ASN A 43 -15.124 2.699 -2.808 1.00 7.32 O ATOM 630 CB ASN A 43 -15.080 -0.010 -2.035 1.00 7.86 C ATOM 631 CG ASN A 43 -14.877 -1.316 -1.283 1.00 7.89 C ATOM 632 OD1 ASN A 43 -13.847 -1.522 -0.642 1.00 7.84 O ATOM 633 ND2 ASN A 43 -15.854 -2.203 -1.351 1.00 8.26 N ATOM 0 H ASN A 43 -17.624 0.516 -0.299 1.00 7.18 H new ATOM 0 HA ASN A 43 -15.457 0.923 -0.158 1.00 6.90 H new ATOM 0 HB2 ASN A 43 -15.658 -0.200 -2.939 1.00 7.86 H new ATOM 0 HB3 ASN A 43 -14.112 0.378 -2.351 1.00 7.86 H new ATOM 0 HD21 ASN A 43 -15.769 -3.094 -0.862 1.00 8.26 H new ATOM 0 HD22 ASN A 43 -16.693 -1.997 -1.893 1.00 8.26 H new ATOM 640 N PRO A 44 -15.474 3.401 -0.700 1.00 5.79 N ATOM 641 CA PRO A 44 -15.205 4.801 -0.981 1.00 5.83 C ATOM 642 C PRO A 44 -13.719 5.131 -0.880 1.00 5.83 C ATOM 643 O PRO A 44 -12.867 4.340 -1.287 1.00 6.26 O ATOM 644 CB PRO A 44 -16.000 5.497 0.117 1.00 5.35 C ATOM 645 CG PRO A 44 -15.897 4.579 1.289 1.00 4.82 C ATOM 646 CD PRO A 44 -15.786 3.182 0.727 1.00 5.18 C ATOM 0 HA PRO A 44 -15.481 5.101 -1.992 1.00 5.83 H new ATOM 0 HB2 PRO A 44 -15.587 6.480 0.345 1.00 5.35 H new ATOM 0 HB3 PRO A 44 -17.038 5.648 -0.179 1.00 5.35 H new ATOM 0 HG2 PRO A 44 -15.027 4.823 1.898 1.00 4.82 H new ATOM 0 HG3 PRO A 44 -16.772 4.671 1.932 1.00 4.82 H new ATOM 0 HD2 PRO A 44 -15.002 2.611 1.225 1.00 5.18 H new ATOM 0 HD3 PRO A 44 -16.715 2.625 0.853 1.00 5.18 H new ATOM 654 N ASP A 45 -13.406 6.290 -0.326 1.00 5.59 N ATOM 655 CA ASP A 45 -12.022 6.737 -0.225 1.00 5.67 C ATOM 656 C ASP A 45 -11.579 6.860 1.234 1.00 5.46 C ATOM 657 O ASP A 45 -11.598 7.951 1.804 1.00 5.44 O ATOM 658 CB ASP A 45 -11.832 8.084 -0.933 1.00 6.26 C ATOM 659 CG ASP A 45 -12.069 8.019 -2.428 1.00 6.73 C ATOM 660 OD1 ASP A 45 -13.244 8.099 -2.854 1.00 6.98 O ATOM 661 OD2 ASP A 45 -11.086 7.923 -3.188 1.00 7.06 O ATOM 0 H ASP A 45 -14.090 6.940 0.062 1.00 5.59 H new ATOM 0 HA ASP A 45 -11.403 5.984 -0.713 1.00 5.67 H new ATOM 0 HB2 ASP A 45 -12.513 8.814 -0.496 1.00 6.26 H new ATOM 0 HB3 ASP A 45 -10.819 8.443 -0.749 1.00 6.26 H new ATOM 666 N PRO A 46 -11.215 5.737 1.874 1.00 5.77 N ATOM 667 CA PRO A 46 -10.659 5.733 3.214 1.00 6.07 C ATOM 668 C PRO A 46 -9.135 5.713 3.194 1.00 6.28 C ATOM 669 O PRO A 46 -8.487 5.845 4.230 1.00 6.83 O ATOM 670 CB PRO A 46 -11.204 4.428 3.810 1.00 6.80 C ATOM 671 CG PRO A 46 -11.665 3.593 2.647 1.00 6.93 C ATOM 672 CD PRO A 46 -11.368 4.367 1.386 1.00 6.33 C ATOM 0 HA PRO A 46 -10.930 6.623 3.781 1.00 6.07 H new ATOM 0 HB2 PRO A 46 -10.433 3.909 4.380 1.00 6.80 H new ATOM 0 HB3 PRO A 46 -12.027 4.628 4.496 1.00 6.80 H new ATOM 0 HG2 PRO A 46 -11.150 2.632 2.637 1.00 6.93 H new ATOM 0 HG3 PRO A 46 -12.732 3.382 2.725 1.00 6.93 H new ATOM 0 HD2 PRO A 46 -10.463 4.009 0.896 1.00 6.33 H new ATOM 0 HD3 PRO A 46 -12.177 4.284 0.661 1.00 6.33 H new ATOM 680 N LEU A 47 -8.572 5.539 2.007 1.00 6.19 N ATOM 681 CA LEU A 47 -7.127 5.446 1.854 1.00 6.74 C ATOM 682 C LEU A 47 -6.556 6.742 1.287 1.00 6.79 C ATOM 683 O LEU A 47 -5.603 7.298 1.832 1.00 7.54 O ATOM 684 CB LEU A 47 -6.767 4.275 0.935 1.00 7.04 C ATOM 685 CG LEU A 47 -7.233 2.895 1.411 1.00 7.00 C ATOM 686 CD1 LEU A 47 -6.876 1.825 0.388 1.00 6.92 C ATOM 687 CD2 LEU A 47 -6.624 2.559 2.764 1.00 7.53 C ATOM 0 H LEU A 47 -9.095 5.459 1.135 1.00 6.19 H new ATOM 0 HA LEU A 47 -6.692 5.277 2.839 1.00 6.74 H new ATOM 0 HB2 LEU A 47 -7.195 4.464 -0.050 1.00 7.04 H new ATOM 0 HB3 LEU A 47 -5.684 4.251 0.813 1.00 7.04 H new ATOM 0 HG LEU A 47 -8.317 2.922 1.518 1.00 7.00 H new ATOM 0 HD11 LEU A 47 -7.215 0.853 0.745 1.00 6.92 H new ATOM 0 HD12 LEU A 47 -7.361 2.053 -0.561 1.00 6.92 H new ATOM 0 HD13 LEU A 47 -5.795 1.803 0.247 1.00 6.92 H new ATOM 0 HD21 LEU A 47 -6.968 1.575 3.084 1.00 7.53 H new ATOM 0 HD22 LEU A 47 -5.537 2.555 2.683 1.00 7.53 H new ATOM 0 HD23 LEU A 47 -6.930 3.306 3.496 1.00 7.53 H new ATOM 699 N ALA A 48 -7.133 7.194 0.167 1.00 6.28 N ATOM 700 CA ALA A 48 -6.736 8.445 -0.483 1.00 6.64 C ATOM 701 C ALA A 48 -5.287 8.386 -0.954 1.00 6.21 C ATOM 702 O ALA A 48 -4.632 9.414 -1.138 1.00 6.37 O ATOM 703 CB ALA A 48 -6.947 9.622 0.456 1.00 7.26 C ATOM 0 H ALA A 48 -7.887 6.702 -0.312 1.00 6.28 H new ATOM 0 HA ALA A 48 -7.367 8.584 -1.361 1.00 6.64 H new ATOM 0 HB1 ALA A 48 -6.647 10.544 -0.043 1.00 7.26 H new ATOM 0 HB2 ALA A 48 -8.000 9.684 0.731 1.00 7.26 H new ATOM 0 HB3 ALA A 48 -6.345 9.483 1.354 1.00 7.26 H new ATOM 709 N THR A 49 -4.807 7.174 -1.172 1.00 5.97 N ATOM 710 CA THR A 49 -3.428 6.953 -1.569 1.00 5.78 C ATOM 711 C THR A 49 -3.336 6.209 -2.898 1.00 5.51 C ATOM 712 O THR A 49 -2.791 6.736 -3.865 1.00 5.78 O ATOM 713 CB THR A 49 -2.670 6.166 -0.488 1.00 5.98 C ATOM 714 OG1 THR A 49 -3.593 5.340 0.240 1.00 6.42 O ATOM 715 CG2 THR A 49 -1.949 7.105 0.466 1.00 6.50 C ATOM 0 H THR A 49 -5.358 6.321 -1.080 1.00 5.97 H new ATOM 0 HA THR A 49 -2.969 7.934 -1.691 1.00 5.78 H new ATOM 0 HB THR A 49 -1.923 5.539 -0.975 1.00 5.98 H new ATOM 0 HG1 THR A 49 -3.109 4.837 0.928 1.00 6.42 H new ATOM 0 HG21 THR A 49 -1.421 6.522 1.221 1.00 6.50 H new ATOM 0 HG22 THR A 49 -1.234 7.711 -0.091 1.00 6.50 H new ATOM 0 HG23 THR A 49 -2.675 7.756 0.953 1.00 6.50 H new ATOM 723 N GLU A 50 -3.863 4.978 -2.926 1.00 5.40 N ATOM 724 CA GLU A 50 -3.865 4.129 -4.130 1.00 5.68 C ATOM 725 C GLU A 50 -2.476 3.571 -4.441 1.00 5.52 C ATOM 726 O GLU A 50 -2.307 2.357 -4.567 1.00 5.73 O ATOM 727 CB GLU A 50 -4.427 4.874 -5.349 1.00 6.30 C ATOM 728 CG GLU A 50 -5.828 4.424 -5.738 1.00 7.02 C ATOM 729 CD GLU A 50 -5.862 2.966 -6.159 1.00 8.02 C ATOM 730 OE1 GLU A 50 -6.006 2.090 -5.282 1.00 8.40 O ATOM 731 OE2 GLU A 50 -5.761 2.694 -7.371 1.00 8.59 O ATOM 0 H GLU A 50 -4.301 4.540 -2.115 1.00 5.40 H new ATOM 0 HA GLU A 50 -4.522 3.287 -3.912 1.00 5.68 H new ATOM 0 HB2 GLU A 50 -4.442 5.943 -5.137 1.00 6.30 H new ATOM 0 HB3 GLU A 50 -3.757 4.727 -6.196 1.00 6.30 H new ATOM 0 HG2 GLU A 50 -6.504 4.574 -4.896 1.00 7.02 H new ATOM 0 HG3 GLU A 50 -6.194 5.046 -6.555 1.00 7.02 H new ATOM 738 N GLU A 51 -1.493 4.452 -4.564 1.00 5.43 N ATOM 739 CA GLU A 51 -0.125 4.047 -4.863 1.00 5.45 C ATOM 740 C GLU A 51 0.405 3.064 -3.822 1.00 5.48 C ATOM 741 O GLU A 51 0.852 1.972 -4.173 1.00 5.85 O ATOM 742 CB GLU A 51 0.782 5.280 -4.951 1.00 5.47 C ATOM 743 CG GLU A 51 0.577 6.283 -3.822 1.00 6.03 C ATOM 744 CD GLU A 51 1.537 7.453 -3.899 1.00 6.79 C ATOM 745 OE1 GLU A 51 1.395 8.278 -4.825 1.00 6.93 O ATOM 746 OE2 GLU A 51 2.433 7.545 -3.037 1.00 7.46 O ATOM 0 H GLU A 51 -1.618 5.459 -4.461 1.00 5.43 H new ATOM 0 HA GLU A 51 -0.125 3.538 -5.827 1.00 5.45 H new ATOM 0 HB2 GLU A 51 1.822 4.954 -4.949 1.00 5.47 H new ATOM 0 HB3 GLU A 51 0.607 5.780 -5.904 1.00 5.47 H new ATOM 0 HG2 GLU A 51 -0.447 6.655 -3.854 1.00 6.03 H new ATOM 0 HG3 GLU A 51 0.703 5.777 -2.865 1.00 6.03 H new ATOM 753 N VAL A 52 0.310 3.460 -2.545 1.00 5.42 N ATOM 754 CA VAL A 52 0.811 2.675 -1.403 1.00 5.86 C ATOM 755 C VAL A 52 2.071 1.869 -1.740 1.00 6.11 C ATOM 756 O VAL A 52 2.067 0.637 -1.683 1.00 6.55 O ATOM 757 CB VAL A 52 -0.279 1.748 -0.792 1.00 6.43 C ATOM 758 CG1 VAL A 52 -1.351 2.580 -0.111 1.00 6.99 C ATOM 759 CG2 VAL A 52 -0.916 0.847 -1.844 1.00 6.80 C ATOM 0 H VAL A 52 -0.121 4.343 -2.271 1.00 5.42 H new ATOM 0 HA VAL A 52 1.085 3.413 -0.649 1.00 5.86 H new ATOM 0 HB VAL A 52 0.211 1.108 -0.058 1.00 6.43 H new ATOM 0 HG11 VAL A 52 -2.109 1.921 0.313 1.00 6.99 H new ATOM 0 HG12 VAL A 52 -0.900 3.174 0.684 1.00 6.99 H new ATOM 0 HG13 VAL A 52 -1.815 3.244 -0.841 1.00 6.99 H new ATOM 0 HG21 VAL A 52 -1.671 0.217 -1.374 1.00 6.80 H new ATOM 0 HG22 VAL A 52 -1.384 1.461 -2.614 1.00 6.80 H new ATOM 0 HG23 VAL A 52 -0.149 0.218 -2.297 1.00 6.80 H new ATOM 769 N PRO A 53 3.175 2.552 -2.094 1.00 6.09 N ATOM 770 CA PRO A 53 4.423 1.891 -2.469 1.00 6.51 C ATOM 771 C PRO A 53 5.113 1.255 -1.266 1.00 6.99 C ATOM 772 O PRO A 53 5.358 0.048 -1.239 1.00 7.85 O ATOM 773 CB PRO A 53 5.290 3.029 -3.044 1.00 6.60 C ATOM 774 CG PRO A 53 4.384 4.210 -3.171 1.00 6.37 C ATOM 775 CD PRO A 53 3.303 4.016 -2.155 1.00 6.00 C ATOM 0 HA PRO A 53 4.254 1.078 -3.175 1.00 6.51 H new ATOM 0 HB2 PRO A 53 6.130 3.250 -2.386 1.00 6.60 H new ATOM 0 HB3 PRO A 53 5.707 2.751 -4.012 1.00 6.60 H new ATOM 0 HG2 PRO A 53 4.926 5.138 -2.990 1.00 6.37 H new ATOM 0 HG3 PRO A 53 3.967 4.275 -4.176 1.00 6.37 H new ATOM 0 HD2 PRO A 53 3.575 4.439 -1.188 1.00 6.00 H new ATOM 0 HD3 PRO A 53 2.371 4.492 -2.460 1.00 6.00 H new ATOM 783 N ASN A 54 5.415 2.072 -0.266 1.00 6.65 N ATOM 784 CA ASN A 54 6.132 1.602 0.915 1.00 7.32 C ATOM 785 C ASN A 54 5.381 1.945 2.186 1.00 7.87 C ATOM 786 O ASN A 54 5.777 1.535 3.274 1.00 8.62 O ATOM 787 CB ASN A 54 7.532 2.218 0.973 1.00 7.53 C ATOM 788 CG ASN A 54 8.455 1.715 -0.121 1.00 7.80 C ATOM 789 OD1 ASN A 54 8.455 2.232 -1.239 1.00 7.76 O ATOM 790 ND2 ASN A 54 9.277 0.734 0.204 1.00 8.37 N ATOM 0 H ASN A 54 5.175 3.063 -0.248 1.00 6.65 H new ATOM 0 HA ASN A 54 6.214 0.518 0.838 1.00 7.32 H new ATOM 0 HB2 ASN A 54 7.448 3.302 0.898 1.00 7.53 H new ATOM 0 HB3 ASN A 54 7.978 2.000 1.944 1.00 7.53 H new ATOM 0 HD21 ASN A 54 9.943 0.378 -0.482 1.00 8.37 H new ATOM 0 HD22 ASN A 54 9.246 0.332 1.141 1.00 8.37 H new ATOM 797 N GLN A 55 4.298 2.705 2.032 1.00 7.71 N ATOM 798 CA GLN A 55 3.535 3.260 3.167 1.00 8.46 C ATOM 799 C GLN A 55 4.324 4.360 3.880 1.00 8.71 C ATOM 800 O GLN A 55 3.758 5.351 4.339 1.00 9.31 O ATOM 801 CB GLN A 55 3.142 2.164 4.162 1.00 9.37 C ATOM 802 CG GLN A 55 2.037 1.245 3.677 1.00 9.49 C ATOM 803 CD GLN A 55 1.946 -0.026 4.501 1.00 9.90 C ATOM 804 OE1 GLN A 55 0.861 -0.572 4.710 1.00 10.49 O ATOM 805 NE2 GLN A 55 3.090 -0.514 4.961 1.00 9.79 N ATOM 0 H GLN A 55 3.918 2.958 1.120 1.00 7.71 H new ATOM 0 HA GLN A 55 2.624 3.698 2.760 1.00 8.46 H new ATOM 0 HB2 GLN A 55 4.023 1.564 4.390 1.00 9.37 H new ATOM 0 HB3 GLN A 55 2.826 2.633 5.094 1.00 9.37 H new ATOM 0 HG2 GLN A 55 1.084 1.772 3.719 1.00 9.49 H new ATOM 0 HG3 GLN A 55 2.213 0.987 2.633 1.00 9.49 H new ATOM 0 HE21 GLN A 55 3.966 -0.030 4.765 1.00 9.79 H new ATOM 0 HE22 GLN A 55 3.094 -1.373 5.511 1.00 9.79 H new ATOM 814 N GLU A 56 5.634 4.181 3.955 1.00 8.44 N ATOM 815 CA GLU A 56 6.534 5.169 4.527 1.00 8.86 C ATOM 816 C GLU A 56 6.778 6.304 3.534 1.00 8.25 C ATOM 817 O GLU A 56 7.651 7.143 3.753 1.00 8.21 O ATOM 818 CB GLU A 56 7.867 4.500 4.854 1.00 9.28 C ATOM 819 CG GLU A 56 7.745 3.264 5.733 1.00 10.30 C ATOM 820 CD GLU A 56 8.989 2.398 5.671 1.00 10.82 C ATOM 821 OE1 GLU A 56 10.077 2.882 6.048 1.00 11.15 O ATOM 822 OE2 GLU A 56 8.885 1.230 5.234 1.00 11.07 O ATOM 0 H GLU A 56 6.105 3.341 3.619 1.00 8.44 H new ATOM 0 HA GLU A 56 6.083 5.578 5.431 1.00 8.86 H new ATOM 0 HB2 GLU A 56 8.360 4.222 3.922 1.00 9.28 H new ATOM 0 HB3 GLU A 56 8.512 5.224 5.352 1.00 9.28 H new ATOM 0 HG2 GLU A 56 7.566 3.569 6.764 1.00 10.30 H new ATOM 0 HG3 GLU A 56 6.880 2.680 5.419 1.00 10.30 H new ATOM 829 N GLN A 57 6.001 6.306 2.444 1.00 8.02 N ATOM 830 CA GLN A 57 6.178 7.233 1.326 1.00 7.71 C ATOM 831 C GLN A 57 7.442 6.890 0.541 1.00 6.84 C ATOM 832 O GLN A 57 7.359 6.394 -0.578 1.00 6.77 O ATOM 833 CB GLN A 57 6.216 8.695 1.796 1.00 8.64 C ATOM 834 CG GLN A 57 4.963 9.141 2.543 1.00 9.62 C ATOM 835 CD GLN A 57 3.697 9.000 1.716 1.00 10.46 C ATOM 836 OE1 GLN A 57 3.727 9.080 0.486 1.00 10.72 O ATOM 837 NE2 GLN A 57 2.572 8.783 2.384 1.00 11.09 N ATOM 0 H GLN A 57 5.225 5.657 2.315 1.00 8.02 H new ATOM 0 HA GLN A 57 5.315 7.123 0.670 1.00 7.71 H new ATOM 0 HB2 GLN A 57 7.081 8.835 2.444 1.00 8.64 H new ATOM 0 HB3 GLN A 57 6.359 9.341 0.929 1.00 8.64 H new ATOM 0 HG2 GLN A 57 4.862 8.553 3.455 1.00 9.62 H new ATOM 0 HG3 GLN A 57 5.078 10.182 2.846 1.00 9.62 H new ATOM 0 HE21 GLN A 57 2.587 8.723 3.402 1.00 11.09 H new ATOM 0 HE22 GLN A 57 1.692 8.676 1.880 1.00 11.09 H new ATOM 846 N ILE A 58 8.596 7.118 1.162 1.00 6.43 N ATOM 847 CA ILE A 58 9.892 6.883 0.536 1.00 5.79 C ATOM 848 C ILE A 58 10.010 7.643 -0.787 1.00 5.74 C ATOM 849 O ILE A 58 9.798 7.089 -1.867 1.00 5.48 O ATOM 850 CB ILE A 58 10.170 5.373 0.314 1.00 5.36 C ATOM 851 CG1 ILE A 58 10.034 4.599 1.634 1.00 5.76 C ATOM 852 CG2 ILE A 58 11.563 5.163 -0.270 1.00 5.36 C ATOM 853 CD1 ILE A 58 11.029 5.002 2.700 1.00 6.29 C ATOM 0 H ILE A 58 8.658 7.472 2.117 1.00 6.43 H new ATOM 0 HA ILE A 58 10.647 7.260 1.226 1.00 5.79 H new ATOM 0 HB ILE A 58 9.432 4.994 -0.393 1.00 5.36 H new ATOM 0 HG12 ILE A 58 9.026 4.742 2.023 1.00 5.76 H new ATOM 0 HG13 ILE A 58 10.149 3.534 1.430 1.00 5.76 H new ATOM 0 HG21 ILE A 58 11.739 4.097 -0.418 1.00 5.36 H new ATOM 0 HG22 ILE A 58 11.638 5.680 -1.227 1.00 5.36 H new ATOM 0 HG23 ILE A 58 12.309 5.562 0.417 1.00 5.36 H new ATOM 0 HD11 ILE A 58 10.862 4.406 3.597 1.00 6.29 H new ATOM 0 HD12 ILE A 58 12.042 4.832 2.335 1.00 6.29 H new ATOM 0 HD13 ILE A 58 10.901 6.058 2.937 1.00 6.29 H new ATOM 865 N PRO A 59 10.335 8.943 -0.711 1.00 6.40 N ATOM 866 CA PRO A 59 10.494 9.799 -1.887 1.00 6.85 C ATOM 867 C PRO A 59 11.873 9.651 -2.520 1.00 6.63 C ATOM 868 O PRO A 59 12.315 10.516 -3.278 1.00 7.28 O ATOM 869 CB PRO A 59 10.317 11.220 -1.329 1.00 7.95 C ATOM 870 CG PRO A 59 10.078 11.073 0.143 1.00 8.02 C ATOM 871 CD PRO A 59 10.545 9.699 0.526 1.00 7.12 C ATOM 0 HA PRO A 59 9.782 9.545 -2.673 1.00 6.85 H new ATOM 0 HB2 PRO A 59 11.204 11.825 -1.519 1.00 7.95 H new ATOM 0 HB3 PRO A 59 9.478 11.724 -1.810 1.00 7.95 H new ATOM 0 HG2 PRO A 59 10.622 11.835 0.701 1.00 8.02 H new ATOM 0 HG3 PRO A 59 9.021 11.201 0.377 1.00 8.02 H new ATOM 0 HD2 PRO A 59 11.591 9.696 0.832 1.00 7.12 H new ATOM 0 HD3 PRO A 59 9.969 9.290 1.356 1.00 7.12 H new ATOM 879 N GLU A 60 12.541 8.548 -2.189 1.00 5.93 N ATOM 880 CA GLU A 60 13.897 8.258 -2.661 1.00 5.88 C ATOM 881 C GLU A 60 14.909 9.252 -2.087 1.00 5.80 C ATOM 882 O GLU A 60 16.092 9.197 -2.426 1.00 5.92 O ATOM 883 CB GLU A 60 13.968 8.275 -4.196 1.00 5.78 C ATOM 884 CG GLU A 60 12.950 7.375 -4.888 1.00 5.71 C ATOM 885 CD GLU A 60 13.149 5.902 -4.591 1.00 6.20 C ATOM 886 OE1 GLU A 60 14.051 5.286 -5.198 1.00 6.61 O ATOM 887 OE2 GLU A 60 12.377 5.345 -3.780 1.00 6.44 O ATOM 0 H GLU A 60 12.156 7.824 -1.582 1.00 5.93 H new ATOM 0 HA GLU A 60 14.151 7.258 -2.310 1.00 5.88 H new ATOM 0 HB2 GLU A 60 13.823 9.298 -4.542 1.00 5.78 H new ATOM 0 HB3 GLU A 60 14.969 7.973 -4.504 1.00 5.78 H new ATOM 0 HG2 GLU A 60 11.947 7.668 -4.578 1.00 5.71 H new ATOM 0 HG3 GLU A 60 13.010 7.532 -5.965 1.00 5.71 H new ATOM 894 N GLU A 61 14.433 10.149 -1.209 1.00 5.98 N ATOM 895 CA GLU A 61 15.246 11.234 -0.642 1.00 6.40 C ATOM 896 C GLU A 61 15.648 12.244 -1.722 1.00 6.67 C ATOM 897 O GLU A 61 15.205 13.391 -1.699 1.00 7.45 O ATOM 898 CB GLU A 61 16.488 10.688 0.071 1.00 6.95 C ATOM 899 CG GLU A 61 16.170 9.811 1.274 1.00 7.52 C ATOM 900 CD GLU A 61 15.527 10.579 2.414 1.00 8.17 C ATOM 901 OE1 GLU A 61 16.266 11.091 3.281 1.00 8.72 O ATOM 902 OE2 GLU A 61 14.279 10.663 2.459 1.00 8.32 O ATOM 0 H GLU A 61 13.470 10.141 -0.872 1.00 5.98 H new ATOM 0 HA GLU A 61 14.632 11.749 0.097 1.00 6.40 H new ATOM 0 HB2 GLU A 61 17.080 10.112 -0.640 1.00 6.95 H new ATOM 0 HB3 GLU A 61 17.106 11.525 0.396 1.00 6.95 H new ATOM 0 HG2 GLU A 61 15.504 9.006 0.964 1.00 7.52 H new ATOM 0 HG3 GLU A 61 17.089 9.345 1.630 1.00 7.52 H new ATOM 909 N GLY A 62 16.483 11.808 -2.658 1.00 6.22 N ATOM 910 CA GLY A 62 16.912 12.669 -3.749 1.00 6.69 C ATOM 911 C GLY A 62 18.421 12.715 -3.879 1.00 6.92 C ATOM 912 O GLY A 62 18.957 13.014 -4.942 1.00 7.40 O ATOM 0 H GLY A 62 16.874 10.866 -2.682 1.00 6.22 H new ATOM 0 HA2 GLY A 62 16.479 12.312 -4.683 1.00 6.69 H new ATOM 0 HA3 GLY A 62 16.532 13.677 -3.586 1.00 6.69 H new ATOM 916 N PHE A 63 19.101 12.385 -2.796 1.00 6.81 N ATOM 917 CA PHE A 63 20.551 12.491 -2.732 1.00 7.27 C ATOM 918 C PHE A 63 21.160 11.219 -2.157 1.00 6.90 C ATOM 919 O PHE A 63 21.845 11.244 -1.131 1.00 7.34 O ATOM 920 CB PHE A 63 20.948 13.711 -1.895 1.00 8.02 C ATOM 921 CG PHE A 63 19.970 14.015 -0.793 1.00 7.85 C ATOM 922 CD1 PHE A 63 20.041 13.334 0.412 1.00 8.09 C ATOM 923 CD2 PHE A 63 18.996 14.991 -0.952 1.00 7.70 C ATOM 924 CE1 PHE A 63 19.156 13.618 1.435 1.00 8.21 C ATOM 925 CE2 PHE A 63 18.114 15.280 0.070 1.00 7.74 C ATOM 926 CZ PHE A 63 18.132 14.561 1.220 1.00 8.00 C ATOM 0 H PHE A 63 18.669 12.038 -1.940 1.00 6.81 H new ATOM 0 HA PHE A 63 20.938 12.619 -3.743 1.00 7.27 H new ATOM 0 HB2 PHE A 63 21.933 13.541 -1.461 1.00 8.02 H new ATOM 0 HB3 PHE A 63 21.032 14.580 -2.548 1.00 8.02 H new ATOM 0 HD1 PHE A 63 20.795 12.574 0.553 1.00 8.09 H new ATOM 0 HD2 PHE A 63 18.927 15.530 -1.885 1.00 7.70 H new ATOM 0 HE1 PHE A 63 19.249 13.122 2.390 1.00 8.21 H new ATOM 0 HE2 PHE A 63 17.404 16.085 -0.047 1.00 7.74 H new ATOM 0 HZ PHE A 63 17.366 14.711 1.966 1.00 8.00 H new ATOM 936 N ILE A 64 20.899 10.107 -2.818 1.00 6.31 N ATOM 937 CA ILE A 64 21.409 8.818 -2.371 1.00 6.14 C ATOM 938 C ILE A 64 22.901 8.705 -2.663 1.00 6.65 C ATOM 939 O ILE A 64 23.307 8.469 -3.800 1.00 6.98 O ATOM 940 CB ILE A 64 20.666 7.646 -3.045 1.00 5.61 C ATOM 941 CG1 ILE A 64 19.153 7.801 -2.868 1.00 5.10 C ATOM 942 CG2 ILE A 64 21.131 6.315 -2.460 1.00 5.86 C ATOM 943 CD1 ILE A 64 18.342 6.769 -3.627 1.00 5.02 C ATOM 0 H ILE A 64 20.336 10.067 -3.668 1.00 6.31 H new ATOM 0 HA ILE A 64 21.240 8.759 -1.296 1.00 6.14 H new ATOM 0 HB ILE A 64 20.896 7.659 -4.110 1.00 5.61 H new ATOM 0 HG12 ILE A 64 18.911 7.732 -1.807 1.00 5.10 H new ATOM 0 HG13 ILE A 64 18.858 8.797 -3.198 1.00 5.10 H new ATOM 0 HG21 ILE A 64 20.598 5.498 -2.946 1.00 5.86 H new ATOM 0 HG22 ILE A 64 22.202 6.199 -2.626 1.00 5.86 H new ATOM 0 HG23 ILE A 64 20.926 6.297 -1.390 1.00 5.86 H new ATOM 0 HD11 ILE A 64 17.280 6.942 -3.454 1.00 5.02 H new ATOM 0 HD12 ILE A 64 18.554 6.852 -4.693 1.00 5.02 H new ATOM 0 HD13 ILE A 64 18.608 5.770 -3.281 1.00 5.02 H new ATOM 955 N HIS A 65 23.719 8.891 -1.637 1.00 6.99 N ATOM 956 CA HIS A 65 25.163 8.806 -1.795 1.00 7.71 C ATOM 957 C HIS A 65 25.585 7.348 -1.933 1.00 7.41 C ATOM 958 O HIS A 65 25.535 6.584 -0.973 1.00 7.99 O ATOM 959 CB HIS A 65 25.888 9.444 -0.606 1.00 8.57 C ATOM 960 CG HIS A 65 25.578 10.899 -0.385 1.00 9.17 C ATOM 961 ND1 HIS A 65 25.762 11.866 -1.347 1.00 9.64 N ATOM 962 CD2 HIS A 65 25.106 11.549 0.708 1.00 9.60 C ATOM 963 CE1 HIS A 65 25.419 13.044 -0.857 1.00 10.31 C ATOM 964 NE2 HIS A 65 25.019 12.882 0.388 1.00 10.28 N ATOM 0 H HIS A 65 23.408 9.101 -0.689 1.00 6.99 H new ATOM 0 HA HIS A 65 25.438 9.353 -2.697 1.00 7.71 H new ATOM 0 HB2 HIS A 65 25.631 8.891 0.297 1.00 8.57 H new ATOM 0 HB3 HIS A 65 26.963 9.334 -0.752 1.00 8.57 H new ATOM 0 HD2 HIS A 65 24.846 11.101 1.656 1.00 9.60 H new ATOM 0 HE1 HIS A 65 25.460 13.983 -1.388 1.00 10.31 H new ATOM 0 HE2 HIS A 65 24.698 13.623 1.011 1.00 10.28 H new ATOM 973 N THR A 66 25.977 6.972 -3.132 1.00 6.67 N ATOM 974 CA THR A 66 26.398 5.604 -3.417 1.00 6.47 C ATOM 975 C THR A 66 27.014 5.530 -4.811 1.00 6.60 C ATOM 976 O THR A 66 27.912 4.727 -5.059 1.00 6.62 O ATOM 977 CB THR A 66 25.228 4.590 -3.286 1.00 6.64 C ATOM 978 OG1 THR A 66 25.683 3.249 -3.549 1.00 7.18 O ATOM 979 CG2 THR A 66 24.081 4.939 -4.229 1.00 6.82 C ATOM 0 H THR A 66 26.015 7.597 -3.937 1.00 6.67 H new ATOM 0 HA THR A 66 27.146 5.327 -2.674 1.00 6.47 H new ATOM 0 HB THR A 66 24.861 4.647 -2.261 1.00 6.64 H new ATOM 0 HG1 THR A 66 24.932 2.625 -3.460 1.00 7.18 H new ATOM 0 HG21 THR A 66 23.279 4.210 -4.112 1.00 6.82 H new ATOM 0 HG22 THR A 66 23.704 5.934 -3.991 1.00 6.82 H new ATOM 0 HG23 THR A 66 24.439 4.923 -5.259 1.00 6.82 H new ATOM 987 N GLN A 67 26.550 6.401 -5.708 1.00 6.89 N ATOM 988 CA GLN A 67 27.140 6.516 -7.037 1.00 7.37 C ATOM 989 C GLN A 67 28.611 6.922 -6.920 1.00 7.24 C ATOM 990 O GLN A 67 29.432 6.619 -7.784 1.00 7.66 O ATOM 991 CB GLN A 67 26.370 7.549 -7.871 1.00 8.01 C ATOM 992 CG GLN A 67 26.894 7.701 -9.289 1.00 8.35 C ATOM 993 CD GLN A 67 26.777 6.426 -10.103 1.00 9.02 C ATOM 994 OE1 GLN A 67 27.613 6.149 -10.957 1.00 9.58 O ATOM 995 NE2 GLN A 67 25.713 5.668 -9.879 1.00 9.24 N ATOM 0 H GLN A 67 25.769 7.035 -5.537 1.00 6.89 H new ATOM 0 HA GLN A 67 27.078 5.549 -7.537 1.00 7.37 H new ATOM 0 HB2 GLN A 67 25.319 7.261 -7.910 1.00 8.01 H new ATOM 0 HB3 GLN A 67 26.417 8.516 -7.370 1.00 8.01 H new ATOM 0 HG2 GLN A 67 26.344 8.498 -9.790 1.00 8.35 H new ATOM 0 HG3 GLN A 67 27.939 8.008 -9.253 1.00 8.35 H new ATOM 0 HE21 GLN A 67 25.040 5.933 -9.159 1.00 9.24 H new ATOM 0 HE22 GLN A 67 25.567 4.820 -10.426 1.00 9.24 H new