USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 634 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 117 ASN :FLIP amide:sc= -1.28 F(o=-6.6!,f=-3.4) USER MOD Set 1.2: A 138 GLN : amide:sc= -2.07 K(o=-3.4,f=-7.9!) USER MOD Set 2.1: A 98 HIS : no HE2:sc= -6.68! C(o=-4.9!,f=-16!) USER MOD Set 2.2: A 115 SER OG : rot 169:sc= -1.19! USER MOD Set 2.3: A 119 THR OG1 : rot 123:sc= 2.93 USER MOD Set 3.1: A 65 ASN : amide:sc= -0.0826 K(o=-0.083,f=-1.4!) USER MOD Set 3.2: A 68 SER OG : rot -120:sc= 0 USER MOD Single : A 23 SER OG : rot 32:sc= 0.0071 USER MOD Single : A 55 SER OG : rot -67:sc= 1.24 USER MOD Single : A 61 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0177) USER MOD Single : A 74 GLN : amide:sc= 0.635 K(o=0.64,f=-1.3) USER MOD Single : A 77 THR OG1 : rot 100:sc= -3.71! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -4.4! C(o=-4.4!,f=-10!) USER MOD Single : A 93 THR OG1 : rot -130:sc= -0.507! USER MOD Single : A 95 SER OG : rot 180:sc= -0.515 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 ASN : amide:sc= -1.59! C(o=-1.6!,f=-5!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 ASN :FLIP amide:sc= -2.13! C(o=-3.5!,f=-2.1!) USER MOD Single : A 128 SER OG : rot 48:sc= 0.217 USER MOD Single : A 133 ASN : amide:sc= -0.22 K(o=-0.22,f=-0.8) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 305 N SER A 23 12.753 -1.436 -2.146 1.00 0.00 N ATOM 306 CA SER A 23 12.718 -0.059 -2.637 1.00 0.00 C ATOM 307 C SER A 23 11.401 0.634 -2.338 1.00 0.00 C ATOM 308 O SER A 23 10.342 0.199 -2.777 1.00 0.00 O ATOM 309 CB SER A 23 12.959 -0.016 -4.131 1.00 0.00 C ATOM 310 OG SER A 23 14.272 -0.440 -4.463 1.00 0.00 O ATOM 0 HA SER A 23 13.512 0.471 -2.110 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.232 -0.653 -4.635 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.801 0.999 -4.496 1.00 0.00 H new ATOM 0 HG SER A 23 14.572 -1.112 -3.816 1.00 0.00 H new ATOM 315 N VAL A 24 11.474 1.748 -1.642 1.00 0.00 N ATOM 316 CA VAL A 24 10.278 2.405 -1.181 1.00 0.00 C ATOM 317 C VAL A 24 10.384 3.920 -1.289 1.00 0.00 C ATOM 318 O VAL A 24 11.474 4.486 -1.198 1.00 0.00 O ATOM 319 CB VAL A 24 10.015 1.977 0.257 1.00 0.00 C ATOM 320 CG1 VAL A 24 10.958 2.671 1.227 1.00 0.00 C ATOM 321 CG2 VAL A 24 8.563 2.190 0.643 1.00 0.00 C ATOM 0 H VAL A 24 12.345 2.213 -1.386 1.00 0.00 H new ATOM 0 HA VAL A 24 9.443 2.109 -1.816 1.00 0.00 H new ATOM 0 HB VAL A 24 10.215 0.907 0.320 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.742 2.342 2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.988 2.419 0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.821 3.750 1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.411 1.874 1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.312 3.246 0.546 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.922 1.603 -0.014 1.00 0.00 H new ATOM 331 N PHE A 25 9.238 4.566 -1.492 1.00 0.00 N ATOM 332 CA PHE A 25 9.192 6.006 -1.690 1.00 0.00 C ATOM 333 C PHE A 25 7.737 6.459 -1.815 1.00 0.00 C ATOM 334 O PHE A 25 6.899 5.947 -1.090 1.00 0.00 O ATOM 335 CB PHE A 25 9.988 6.368 -2.949 1.00 0.00 C ATOM 336 CG PHE A 25 10.509 7.779 -2.972 1.00 0.00 C ATOM 337 CD1 PHE A 25 11.439 8.198 -2.035 1.00 0.00 C ATOM 338 CD2 PHE A 25 10.082 8.679 -3.936 1.00 0.00 C ATOM 339 CE1 PHE A 25 11.927 9.488 -2.054 1.00 0.00 C ATOM 340 CE2 PHE A 25 10.566 9.971 -3.960 1.00 0.00 C ATOM 341 CZ PHE A 25 11.492 10.376 -3.018 1.00 0.00 C ATOM 0 H PHE A 25 8.327 4.109 -1.523 1.00 0.00 H new ATOM 0 HA PHE A 25 9.638 6.516 -0.836 1.00 0.00 H new ATOM 0 HB2 PHE A 25 10.830 5.682 -3.042 1.00 0.00 H new ATOM 0 HB3 PHE A 25 9.354 6.214 -3.822 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.786 7.507 -1.281 1.00 0.00 H new ATOM 0 HD2 PHE A 25 9.362 8.365 -4.677 1.00 0.00 H new ATOM 0 HE1 PHE A 25 12.649 9.803 -1.315 1.00 0.00 H new ATOM 0 HE2 PHE A 25 10.222 10.664 -4.713 1.00 0.00 H new ATOM 0 HZ PHE A 25 11.875 11.386 -3.036 1.00 0.00 H new ATOM 350 N ARG A 26 7.460 7.403 -2.741 1.00 0.00 N ATOM 351 CA ARG A 26 6.113 7.987 -2.953 1.00 0.00 C ATOM 352 C ARG A 26 5.381 8.144 -1.625 1.00 0.00 C ATOM 353 O ARG A 26 5.649 9.081 -0.875 1.00 0.00 O ATOM 354 CB ARG A 26 5.269 7.140 -3.931 1.00 0.00 C ATOM 355 CG ARG A 26 4.456 7.956 -4.951 1.00 0.00 C ATOM 356 CD ARG A 26 2.937 7.805 -4.806 1.00 0.00 C ATOM 357 NE ARG A 26 2.368 8.477 -3.629 1.00 0.00 N ATOM 358 CZ ARG A 26 2.664 9.723 -3.226 1.00 0.00 C ATOM 359 NH1 ARG A 26 3.498 10.504 -3.913 1.00 0.00 N ATOM 360 NH2 ARG A 26 2.075 10.203 -2.145 1.00 0.00 N ATOM 0 H ARG A 26 8.168 7.785 -3.368 1.00 0.00 H new ATOM 0 HA ARG A 26 6.252 8.971 -3.400 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.933 6.465 -4.472 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.584 6.519 -3.354 1.00 0.00 H new ATOM 0 HG2 ARG A 26 4.717 9.009 -4.848 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.746 7.652 -5.957 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.458 8.201 -5.702 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.693 6.744 -4.756 1.00 0.00 H new ATOM 0 HE ARG A 26 1.692 7.953 -3.072 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.930 10.159 -4.770 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.704 11.447 -3.582 1.00 0.00 H new ATOM 0 HH21 ARG A 26 1.407 9.629 -1.631 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.288 11.148 -1.825 1.00 0.00 H new ATOM 707 N SER A 55 -17.063 -11.001 -4.074 1.00 0.00 N ATOM 708 CA SER A 55 -15.734 -10.443 -4.235 1.00 0.00 C ATOM 709 C SER A 55 -15.799 -8.926 -4.148 1.00 0.00 C ATOM 710 O SER A 55 -16.611 -8.292 -4.824 1.00 0.00 O ATOM 711 CB SER A 55 -15.143 -10.838 -5.589 1.00 0.00 C ATOM 712 OG SER A 55 -15.705 -12.053 -6.057 1.00 0.00 O ATOM 0 HA SER A 55 -15.100 -10.836 -3.440 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.327 -10.046 -6.315 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.062 -10.944 -5.500 1.00 0.00 H new ATOM 0 HG SER A 55 -15.430 -12.788 -5.470 1.00 0.00 H new ATOM 717 N ALA A 56 -14.958 -8.358 -3.313 1.00 0.00 N ATOM 718 CA ALA A 56 -14.816 -6.917 -3.221 1.00 0.00 C ATOM 719 C ALA A 56 -13.345 -6.598 -3.398 1.00 0.00 C ATOM 720 O ALA A 56 -12.545 -7.527 -3.504 1.00 0.00 O ATOM 721 CB ALA A 56 -15.351 -6.410 -1.897 1.00 0.00 C ATOM 0 H ALA A 56 -14.353 -8.879 -2.678 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.397 -6.416 -3.996 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -15.235 -5.327 -1.848 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -16.407 -6.666 -1.809 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.796 -6.871 -1.080 1.00 0.00 H new ATOM 727 N LEU A 57 -12.958 -5.335 -3.510 1.00 0.00 N ATOM 728 CA LEU A 57 -11.538 -5.060 -3.663 1.00 0.00 C ATOM 729 C LEU A 57 -11.136 -3.633 -3.339 1.00 0.00 C ATOM 730 O LEU A 57 -11.832 -2.669 -3.668 1.00 0.00 O ATOM 731 CB LEU A 57 -11.056 -5.437 -5.080 1.00 0.00 C ATOM 732 CG LEU A 57 -11.586 -4.590 -6.249 1.00 0.00 C ATOM 733 CD1 LEU A 57 -10.877 -4.984 -7.534 1.00 0.00 C ATOM 734 CD2 LEU A 57 -13.091 -4.747 -6.425 1.00 0.00 C ATOM 0 H LEU A 57 -13.573 -4.521 -3.499 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.044 -5.688 -2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.967 -5.386 -5.092 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -11.328 -6.476 -5.265 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.384 -3.544 -6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.257 -4.381 -8.359 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.806 -4.816 -7.425 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.060 -6.038 -7.742 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -13.426 -4.133 -7.261 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -13.327 -5.792 -6.626 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -13.599 -4.429 -5.515 1.00 0.00 H new ATOM 745 N LEU A 58 -9.992 -3.534 -2.666 1.00 0.00 N ATOM 746 CA LEU A 58 -9.302 -2.251 -2.497 1.00 0.00 C ATOM 747 C LEU A 58 -8.426 -2.030 -3.706 1.00 0.00 C ATOM 748 O LEU A 58 -7.443 -2.736 -3.880 1.00 0.00 O ATOM 749 CB LEU A 58 -8.345 -2.241 -1.297 1.00 0.00 C ATOM 750 CG LEU A 58 -8.882 -2.600 0.080 1.00 0.00 C ATOM 751 CD1 LEU A 58 -9.179 -4.084 0.182 1.00 0.00 C ATOM 752 CD2 LEU A 58 -7.846 -2.203 1.109 1.00 0.00 C ATOM 0 H LEU A 58 -9.521 -4.325 -2.228 1.00 0.00 H new ATOM 0 HA LEU A 58 -10.072 -1.493 -2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.530 -2.929 -1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.911 -1.243 -1.231 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.817 -2.067 0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.561 -4.311 1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.925 -4.358 -0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.265 -4.651 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.210 -2.451 2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.918 -2.741 0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.663 -1.130 1.046 1.00 0.00 H new ATOM 763 N VAL A 59 -8.748 -1.056 -4.519 1.00 0.00 N ATOM 764 CA VAL A 59 -7.981 -0.822 -5.725 1.00 0.00 C ATOM 765 C VAL A 59 -7.029 0.350 -5.519 1.00 0.00 C ATOM 766 O VAL A 59 -7.456 1.433 -5.132 1.00 0.00 O ATOM 767 CB VAL A 59 -8.913 -0.514 -6.922 1.00 0.00 C ATOM 768 CG1 VAL A 59 -8.123 -0.302 -8.204 1.00 0.00 C ATOM 769 CG2 VAL A 59 -9.937 -1.619 -7.101 1.00 0.00 C ATOM 0 H VAL A 59 -9.528 -0.415 -4.374 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.413 -1.726 -5.943 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.439 0.415 -6.701 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.809 -0.088 -9.023 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.439 0.537 -8.075 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.554 -1.203 -8.434 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.582 -1.383 -7.947 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.425 -2.563 -7.287 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.541 -1.706 -6.198 1.00 0.00 H new ATOM 779 N VAL A 60 -5.741 0.137 -5.761 1.00 0.00 N ATOM 780 CA VAL A 60 -4.782 1.218 -5.687 1.00 0.00 C ATOM 781 C VAL A 60 -5.040 2.145 -6.877 1.00 0.00 C ATOM 782 O VAL A 60 -4.851 1.772 -8.045 1.00 0.00 O ATOM 783 CB VAL A 60 -3.304 0.699 -5.615 1.00 0.00 C ATOM 784 CG1 VAL A 60 -3.261 -0.741 -5.136 1.00 0.00 C ATOM 785 CG2 VAL A 60 -2.556 0.819 -6.915 1.00 0.00 C ATOM 0 H VAL A 60 -5.344 -0.770 -6.008 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.914 1.777 -4.761 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.801 1.348 -4.898 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.226 -1.080 -5.094 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.705 -0.808 -4.143 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.821 -1.371 -5.827 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.542 0.441 -6.787 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.066 0.238 -7.683 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.517 1.866 -7.217 1.00 0.00 H new ATOM 795 N LYS A 61 -5.554 3.327 -6.561 1.00 0.00 N ATOM 796 CA LYS A 61 -6.064 4.248 -7.562 1.00 0.00 C ATOM 797 C LYS A 61 -4.912 4.892 -8.318 1.00 0.00 C ATOM 798 O LYS A 61 -4.932 5.005 -9.545 1.00 0.00 O ATOM 799 CB LYS A 61 -6.918 5.327 -6.894 1.00 0.00 C ATOM 800 CG LYS A 61 -7.828 6.069 -7.858 1.00 0.00 C ATOM 801 CD LYS A 61 -8.563 7.200 -7.163 1.00 0.00 C ATOM 802 CE LYS A 61 -9.530 7.899 -8.105 1.00 0.00 C ATOM 803 NZ LYS A 61 -10.731 7.073 -8.396 1.00 0.00 N ATOM 0 H LYS A 61 -5.628 3.672 -5.604 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.682 3.693 -8.268 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.526 4.866 -6.116 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.261 6.045 -6.402 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.239 6.469 -8.683 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.549 5.374 -8.288 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.109 6.807 -6.305 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.842 7.922 -6.779 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.841 8.846 -7.665 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.019 8.134 -9.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.392 7.617 -8.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.445 6.210 -8.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.198 6.813 -7.504 1.00 0.00 H new ATOM 813 N ARG A 62 -3.905 5.307 -7.564 1.00 0.00 N ATOM 814 CA ARG A 62 -2.721 5.931 -8.116 1.00 0.00 C ATOM 815 C ARG A 62 -1.554 5.737 -7.168 1.00 0.00 C ATOM 816 O ARG A 62 -1.725 5.713 -5.952 1.00 0.00 O ATOM 817 CB ARG A 62 -2.948 7.424 -8.372 1.00 0.00 C ATOM 818 CG ARG A 62 -3.273 7.751 -9.822 1.00 0.00 C ATOM 819 CD ARG A 62 -3.404 9.251 -10.045 1.00 0.00 C ATOM 820 NE ARG A 62 -2.255 9.980 -9.509 1.00 0.00 N ATOM 821 CZ ARG A 62 -1.285 10.517 -10.252 1.00 0.00 C ATOM 822 NH1 ARG A 62 -1.312 10.409 -11.576 1.00 0.00 N ATOM 823 NH2 ARG A 62 -0.287 11.158 -9.661 1.00 0.00 N ATOM 0 H ARG A 62 -3.890 5.218 -6.548 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.498 5.458 -9.072 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.763 7.773 -7.738 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.055 7.975 -8.075 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.491 7.354 -10.469 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.203 7.258 -10.107 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.498 9.453 -11.112 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.317 9.611 -9.571 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.190 10.085 -8.497 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.078 9.913 -12.032 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.567 10.822 -12.137 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.264 11.239 -8.644 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.458 11.571 -10.223 1.00 0.00 H new ATOM 834 N GLY A 63 -0.386 5.547 -7.735 1.00 0.00 N ATOM 835 CA GLY A 63 0.809 5.422 -6.966 1.00 0.00 C ATOM 836 C GLY A 63 1.936 5.033 -7.873 1.00 0.00 C ATOM 837 O GLY A 63 1.869 5.294 -9.074 1.00 0.00 O ATOM 0 H GLY A 63 -0.247 5.476 -8.743 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.036 6.364 -6.467 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.678 4.672 -6.186 1.00 0.00 H new ATOM 841 N PRO A 64 2.972 4.400 -7.349 1.00 0.00 N ATOM 842 CA PRO A 64 4.087 3.945 -8.159 1.00 0.00 C ATOM 843 C PRO A 64 3.666 2.893 -9.161 1.00 0.00 C ATOM 844 O PRO A 64 3.797 3.083 -10.366 1.00 0.00 O ATOM 845 CB PRO A 64 5.076 3.375 -7.146 1.00 0.00 C ATOM 846 CG PRO A 64 4.646 3.935 -5.843 1.00 0.00 C ATOM 847 CD PRO A 64 3.166 4.115 -5.937 1.00 0.00 C ATOM 0 HA PRO A 64 4.512 4.751 -8.756 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.049 2.285 -7.137 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.099 3.667 -7.384 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.906 3.263 -5.025 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.142 4.885 -5.644 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.628 3.219 -5.626 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.816 4.932 -5.306 1.00 0.00 H new ATOM 852 N ASN A 65 3.145 1.786 -8.663 1.00 0.00 N ATOM 853 CA ASN A 65 2.604 0.771 -9.551 1.00 0.00 C ATOM 854 C ASN A 65 1.274 1.239 -10.066 1.00 0.00 C ATOM 855 O ASN A 65 1.027 1.265 -11.272 1.00 0.00 O ATOM 856 CB ASN A 65 2.408 -0.547 -8.817 1.00 0.00 C ATOM 857 CG ASN A 65 2.396 -1.751 -9.741 1.00 0.00 C ATOM 858 OD1 ASN A 65 3.033 -1.752 -10.794 1.00 0.00 O ATOM 859 ND2 ASN A 65 1.666 -2.787 -9.352 1.00 0.00 N ATOM 0 H ASN A 65 3.085 1.568 -7.668 1.00 0.00 H new ATOM 0 HA ASN A 65 3.306 0.614 -10.370 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.205 -0.668 -8.083 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.469 -0.512 -8.265 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.618 -3.624 -9.933 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.152 -2.747 -8.472 1.00 0.00 H new ATOM 865 N ALA A 66 0.453 1.657 -9.122 1.00 0.00 N ATOM 866 CA ALA A 66 -0.935 2.041 -9.381 1.00 0.00 C ATOM 867 C ALA A 66 -1.740 0.960 -10.132 1.00 0.00 C ATOM 868 O ALA A 66 -1.188 0.007 -10.686 1.00 0.00 O ATOM 869 CB ALA A 66 -0.994 3.357 -10.145 1.00 0.00 C ATOM 0 H ALA A 66 0.726 1.743 -8.143 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.402 2.160 -8.404 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.035 3.625 -10.328 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.515 4.140 -9.558 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.475 3.249 -11.097 1.00 0.00 H new ATOM 875 N GLY A 67 -3.062 1.100 -10.109 1.00 0.00 N ATOM 876 CA GLY A 67 -3.911 0.245 -10.912 1.00 0.00 C ATOM 877 C GLY A 67 -4.180 -1.111 -10.285 1.00 0.00 C ATOM 878 O GLY A 67 -4.846 -1.950 -10.892 1.00 0.00 O ATOM 0 H GLY A 67 -3.559 1.792 -9.547 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.861 0.750 -11.085 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.446 0.099 -11.887 1.00 0.00 H new ATOM 882 N SER A 68 -3.673 -1.343 -9.081 1.00 0.00 N ATOM 883 CA SER A 68 -3.722 -2.682 -8.500 1.00 0.00 C ATOM 884 C SER A 68 -4.847 -2.782 -7.476 1.00 0.00 C ATOM 885 O SER A 68 -5.669 -1.886 -7.397 1.00 0.00 O ATOM 886 CB SER A 68 -2.380 -3.013 -7.877 1.00 0.00 C ATOM 887 OG SER A 68 -1.324 -2.685 -8.765 1.00 0.00 O ATOM 0 H SER A 68 -3.230 -0.636 -8.495 1.00 0.00 H new ATOM 0 HA SER A 68 -3.929 -3.408 -9.286 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.261 -2.464 -6.943 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.339 -4.074 -7.630 1.00 0.00 H new ATOM 0 HG SER A 68 -0.807 -3.492 -8.971 1.00 0.00 H new ATOM 892 N ARG A 69 -4.891 -3.861 -6.694 1.00 0.00 N ATOM 893 CA ARG A 69 -6.040 -4.114 -5.816 1.00 0.00 C ATOM 894 C ARG A 69 -5.798 -5.285 -4.869 1.00 0.00 C ATOM 895 O ARG A 69 -4.941 -6.125 -5.135 1.00 0.00 O ATOM 896 CB ARG A 69 -7.298 -4.391 -6.662 1.00 0.00 C ATOM 897 CG ARG A 69 -7.038 -5.194 -7.937 1.00 0.00 C ATOM 898 CD ARG A 69 -6.551 -6.607 -7.650 1.00 0.00 C ATOM 899 NE ARG A 69 -6.019 -7.246 -8.846 1.00 0.00 N ATOM 900 CZ ARG A 69 -6.575 -8.302 -9.437 1.00 0.00 C ATOM 901 NH1 ARG A 69 -7.695 -8.824 -8.954 1.00 0.00 N ATOM 902 NH2 ARG A 69 -6.018 -8.827 -10.521 1.00 0.00 N ATOM 0 H ARG A 69 -4.156 -4.567 -6.648 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.184 -3.220 -5.209 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -8.022 -4.929 -6.050 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.755 -3.439 -6.933 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.955 -5.242 -8.525 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.297 -4.675 -8.544 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.780 -6.577 -6.880 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -7.374 -7.202 -7.255 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.168 -6.861 -9.256 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.133 -8.416 -8.128 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.118 -9.633 -9.409 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.163 -8.422 -10.902 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.445 -9.636 -10.973 1.00 0.00 H new ATOM 913 N PHE A 70 -6.564 -5.360 -3.774 1.00 0.00 N ATOM 914 CA PHE A 70 -6.584 -6.563 -2.974 1.00 0.00 C ATOM 915 C PHE A 70 -7.780 -7.375 -3.417 1.00 0.00 C ATOM 916 O PHE A 70 -8.901 -6.847 -3.449 1.00 0.00 O ATOM 917 CB PHE A 70 -6.733 -6.307 -1.457 1.00 0.00 C ATOM 918 CG PHE A 70 -5.725 -5.405 -0.808 1.00 0.00 C ATOM 919 CD1 PHE A 70 -4.796 -4.713 -1.549 1.00 0.00 C ATOM 920 CD2 PHE A 70 -5.730 -5.248 0.569 1.00 0.00 C ATOM 921 CE1 PHE A 70 -3.889 -3.876 -0.941 1.00 0.00 C ATOM 922 CE2 PHE A 70 -4.825 -4.411 1.189 1.00 0.00 C ATOM 923 CZ PHE A 70 -3.902 -3.719 0.430 1.00 0.00 C ATOM 0 H PHE A 70 -7.165 -4.608 -3.436 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.629 -7.067 -3.121 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.723 -5.887 -1.282 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.701 -7.270 -0.948 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.778 -4.828 -2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.452 -5.788 1.164 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.165 -3.341 -1.538 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.838 -4.298 2.263 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.194 -3.058 0.907 1.00 0.00 H new ATOM 932 N LEU A 71 -7.547 -8.640 -3.740 1.00 0.00 N ATOM 933 CA LEU A 71 -8.591 -9.513 -4.218 1.00 0.00 C ATOM 934 C LEU A 71 -9.368 -10.020 -3.024 1.00 0.00 C ATOM 935 O LEU A 71 -8.956 -10.950 -2.345 1.00 0.00 O ATOM 936 CB LEU A 71 -7.971 -10.662 -5.030 1.00 0.00 C ATOM 937 CG LEU A 71 -8.937 -11.735 -5.551 1.00 0.00 C ATOM 938 CD1 LEU A 71 -9.058 -12.878 -4.549 1.00 0.00 C ATOM 939 CD2 LEU A 71 -10.295 -11.125 -5.875 1.00 0.00 C ATOM 0 H LEU A 71 -6.630 -9.081 -3.676 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.275 -8.981 -4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.447 -10.232 -5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.221 -11.152 -4.409 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.534 -12.148 -6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.747 -13.629 -4.935 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.079 -13.330 -4.393 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.435 -12.493 -3.602 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.965 -11.902 -6.243 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.717 -10.678 -4.975 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.176 -10.357 -6.640 1.00 0.00 H new ATOM 950 N LEU A 72 -10.478 -9.391 -2.733 1.00 0.00 N ATOM 951 CA LEU A 72 -11.234 -9.786 -1.572 1.00 0.00 C ATOM 952 C LEU A 72 -12.308 -10.784 -1.979 1.00 0.00 C ATOM 953 O LEU A 72 -13.475 -10.646 -1.616 1.00 0.00 O ATOM 954 CB LEU A 72 -11.887 -8.574 -0.907 1.00 0.00 C ATOM 955 CG LEU A 72 -11.061 -7.287 -0.907 1.00 0.00 C ATOM 956 CD1 LEU A 72 -11.802 -6.190 -0.174 1.00 0.00 C ATOM 957 CD2 LEU A 72 -9.696 -7.504 -0.290 1.00 0.00 C ATOM 0 H LEU A 72 -10.872 -8.619 -3.271 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.553 -10.246 -0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.834 -8.375 -1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.121 -8.833 0.126 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.912 -6.985 -1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.203 -5.279 -0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.755 -6.002 -0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.982 -6.498 0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.136 -6.569 -0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.812 -7.839 0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.156 -8.260 -0.859 1.00 0.00 H new ATOM 968 N ASP A 73 -11.910 -11.759 -2.776 1.00 0.00 N ATOM 969 CA ASP A 73 -12.820 -12.801 -3.227 1.00 0.00 C ATOM 970 C ASP A 73 -12.612 -14.055 -2.402 1.00 0.00 C ATOM 971 O ASP A 73 -13.478 -14.925 -2.336 1.00 0.00 O ATOM 972 CB ASP A 73 -12.600 -13.086 -4.719 1.00 0.00 C ATOM 973 CG ASP A 73 -13.318 -14.324 -5.221 1.00 0.00 C ATOM 974 OD1 ASP A 73 -14.536 -14.251 -5.471 1.00 0.00 O ATOM 975 OD2 ASP A 73 -12.651 -15.359 -5.425 1.00 0.00 O ATOM 0 H ASP A 73 -10.957 -11.853 -3.127 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.848 -12.464 -3.093 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -12.935 -12.224 -5.297 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -11.532 -13.198 -4.904 1.00 0.00 H new ATOM 979 N GLN A 74 -11.462 -14.135 -1.753 1.00 0.00 N ATOM 980 CA GLN A 74 -11.181 -15.269 -0.885 1.00 0.00 C ATOM 981 C GLN A 74 -11.317 -14.844 0.572 1.00 0.00 C ATOM 982 O GLN A 74 -11.886 -13.795 0.848 1.00 0.00 O ATOM 983 CB GLN A 74 -9.804 -15.871 -1.180 1.00 0.00 C ATOM 984 CG GLN A 74 -8.631 -14.948 -0.917 1.00 0.00 C ATOM 985 CD GLN A 74 -7.335 -15.519 -1.454 1.00 0.00 C ATOM 986 OE1 GLN A 74 -7.323 -16.220 -2.464 1.00 0.00 O ATOM 987 NE2 GLN A 74 -6.245 -15.241 -0.772 1.00 0.00 N ATOM 0 H GLN A 74 -10.717 -13.440 -1.808 1.00 0.00 H new ATOM 0 HA GLN A 74 -11.910 -16.055 -1.083 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.681 -16.771 -0.577 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.776 -16.181 -2.225 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -8.820 -13.979 -1.379 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.536 -14.777 0.155 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.300 -14.655 0.061 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.345 -15.612 -1.076 1.00 0.00 H new ATOM 994 N ALA A 75 -10.845 -15.651 1.502 1.00 0.00 N ATOM 995 CA ALA A 75 -10.986 -15.319 2.911 1.00 0.00 C ATOM 996 C ALA A 75 -9.938 -14.303 3.355 1.00 0.00 C ATOM 997 O ALA A 75 -10.221 -13.425 4.172 1.00 0.00 O ATOM 998 CB ALA A 75 -10.900 -16.575 3.764 1.00 0.00 C ATOM 0 H ALA A 75 -10.366 -16.532 1.314 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.968 -14.865 3.047 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.007 -16.309 4.816 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.697 -17.263 3.481 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.934 -17.055 3.608 1.00 0.00 H new ATOM 1004 N ILE A 76 -8.727 -14.419 2.825 1.00 0.00 N ATOM 1005 CA ILE A 76 -7.635 -13.569 3.262 1.00 0.00 C ATOM 1006 C ILE A 76 -6.527 -13.469 2.208 1.00 0.00 C ATOM 1007 O ILE A 76 -5.948 -14.474 1.799 1.00 0.00 O ATOM 1008 CB ILE A 76 -7.091 -14.072 4.628 1.00 0.00 C ATOM 1009 CG1 ILE A 76 -5.669 -13.593 4.910 1.00 0.00 C ATOM 1010 CG2 ILE A 76 -7.155 -15.579 4.722 1.00 0.00 C ATOM 1011 CD1 ILE A 76 -5.569 -12.113 5.097 1.00 0.00 C ATOM 0 H ILE A 76 -8.480 -15.090 2.097 1.00 0.00 H new ATOM 0 HA ILE A 76 -8.019 -12.557 3.394 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.740 -13.639 5.389 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.296 -14.091 5.805 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.022 -13.892 4.085 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.767 -15.900 5.689 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.190 -15.906 4.619 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.554 -16.019 3.926 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.532 -11.840 5.294 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.912 -11.608 4.194 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.190 -11.810 5.940 1.00 0.00 H new ATOM 1022 N THR A 77 -6.265 -12.239 1.753 1.00 0.00 N ATOM 1023 CA THR A 77 -5.234 -11.977 0.752 1.00 0.00 C ATOM 1024 C THR A 77 -4.070 -11.158 1.328 1.00 0.00 C ATOM 1025 O THR A 77 -4.266 -10.037 1.795 1.00 0.00 O ATOM 1026 CB THR A 77 -5.800 -11.212 -0.458 1.00 0.00 C ATOM 1027 OG1 THR A 77 -6.660 -10.156 -0.034 1.00 0.00 O ATOM 1028 CG2 THR A 77 -6.553 -12.135 -1.385 1.00 0.00 C ATOM 0 H THR A 77 -6.760 -11.404 2.068 1.00 0.00 H new ATOM 0 HA THR A 77 -4.871 -12.955 0.437 1.00 0.00 H new ATOM 0 HB THR A 77 -4.954 -10.788 -0.999 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.173 -9.306 -0.062 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.941 -11.565 -2.230 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.881 -12.912 -1.749 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.382 -12.595 -0.847 1.00 0.00 H new ATOM 1036 N SER A 78 -2.866 -11.721 1.294 1.00 0.00 N ATOM 1037 CA SER A 78 -1.656 -10.985 1.662 1.00 0.00 C ATOM 1038 C SER A 78 -1.409 -9.862 0.647 1.00 0.00 C ATOM 1039 O SER A 78 -1.400 -10.105 -0.557 1.00 0.00 O ATOM 1040 CB SER A 78 -0.479 -11.950 1.717 1.00 0.00 C ATOM 1041 OG SER A 78 -0.785 -13.072 2.526 1.00 0.00 O ATOM 0 H SER A 78 -2.700 -12.688 1.015 1.00 0.00 H new ATOM 0 HA SER A 78 -1.776 -10.531 2.646 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.227 -12.281 0.709 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.398 -11.439 2.114 1.00 0.00 H new ATOM 0 HG SER A 78 -0.017 -13.680 2.546 1.00 0.00 H new ATOM 1046 N ALA A 79 -1.214 -8.639 1.131 1.00 0.00 N ATOM 1047 CA ALA A 79 -1.261 -7.463 0.264 1.00 0.00 C ATOM 1048 C ALA A 79 -0.017 -6.580 0.344 1.00 0.00 C ATOM 1049 O ALA A 79 0.168 -5.848 1.320 1.00 0.00 O ATOM 1050 CB ALA A 79 -2.478 -6.646 0.637 1.00 0.00 C ATOM 0 H ALA A 79 -1.023 -8.435 2.112 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.309 -7.824 -0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.532 -5.762 0.001 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.376 -7.248 0.499 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.404 -6.338 1.680 1.00 0.00 H new ATOM 1056 N GLY A 80 0.809 -6.603 -0.698 1.00 0.00 N ATOM 1057 CA GLY A 80 1.977 -5.750 -0.730 1.00 0.00 C ATOM 1058 C GLY A 80 2.964 -6.188 -1.785 1.00 0.00 C ATOM 1059 O GLY A 80 2.586 -6.450 -2.925 1.00 0.00 O ATOM 0 H GLY A 80 0.688 -7.197 -1.518 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.671 -4.722 -0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 80 2.461 -5.760 0.247 1.00 0.00 H new ATOM 1063 N ARG A 81 4.229 -6.265 -1.410 1.00 0.00 N ATOM 1064 CA ARG A 81 5.250 -6.803 -2.285 1.00 0.00 C ATOM 1065 C ARG A 81 5.059 -8.298 -2.401 1.00 0.00 C ATOM 1066 O ARG A 81 5.238 -9.048 -1.449 1.00 0.00 O ATOM 1067 CB ARG A 81 6.637 -6.407 -1.788 1.00 0.00 C ATOM 1068 CG ARG A 81 7.735 -7.424 -2.062 1.00 0.00 C ATOM 1069 CD ARG A 81 7.988 -8.309 -0.857 1.00 0.00 C ATOM 1070 NE ARG A 81 9.335 -8.121 -0.332 1.00 0.00 N ATOM 1071 CZ ARG A 81 10.162 -9.122 -0.026 1.00 0.00 C ATOM 1072 NH1 ARG A 81 9.757 -10.382 -0.141 1.00 0.00 N ATOM 1073 NH2 ARG A 81 11.392 -8.864 0.402 1.00 0.00 N ATOM 0 H ARG A 81 4.573 -5.959 -0.500 1.00 0.00 H new ATOM 0 HA ARG A 81 5.159 -6.383 -3.287 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.916 -5.461 -2.252 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.585 -6.232 -0.713 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.455 -8.041 -2.916 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.654 -6.904 -2.332 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.258 -8.084 -0.079 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.847 -9.353 -1.135 1.00 0.00 H new ATOM 0 HE ARG A 81 9.665 -7.166 -0.190 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.811 -10.586 -0.464 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.392 -11.145 0.094 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.707 -7.898 0.498 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.022 -9.631 0.635 1.00 0.00 H new ATOM 1084 N HIS A 82 4.651 -8.731 -3.562 1.00 0.00 N ATOM 1085 CA HIS A 82 4.081 -10.039 -3.651 1.00 0.00 C ATOM 1086 C HIS A 82 4.533 -10.828 -4.860 1.00 0.00 C ATOM 1087 O HIS A 82 4.613 -10.306 -5.972 1.00 0.00 O ATOM 1088 CB HIS A 82 2.571 -9.900 -3.703 1.00 0.00 C ATOM 1089 CG HIS A 82 1.877 -10.635 -2.625 1.00 0.00 C ATOM 1090 ND1 HIS A 82 2.414 -10.800 -1.372 1.00 0.00 N ATOM 1091 CD2 HIS A 82 0.693 -11.270 -2.619 1.00 0.00 C ATOM 1092 CE1 HIS A 82 1.582 -11.507 -0.640 1.00 0.00 C ATOM 1093 NE2 HIS A 82 0.533 -11.805 -1.375 1.00 0.00 N ATOM 0 H HIS A 82 4.702 -8.210 -4.437 1.00 0.00 H new ATOM 0 HA HIS A 82 4.420 -10.591 -2.774 1.00 0.00 H new ATOM 0 HB2 HIS A 82 2.308 -8.844 -3.640 1.00 0.00 H new ATOM 0 HB3 HIS A 82 2.213 -10.261 -4.667 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.001 -11.343 -3.443 1.00 0.00 H new ATOM 0 HE1 HIS A 82 1.734 -11.794 0.390 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -0.272 -12.349 -1.064 1.00 0.00 H new ATOM 1133 N ASP A 86 -1.866 -13.003 -4.114 1.00 0.00 N ATOM 1134 CA ASP A 86 -3.092 -12.224 -3.945 1.00 0.00 C ATOM 1135 C ASP A 86 -2.943 -10.826 -4.539 1.00 0.00 C ATOM 1136 O ASP A 86 -3.388 -10.551 -5.653 1.00 0.00 O ATOM 1137 CB ASP A 86 -3.453 -12.086 -2.458 1.00 0.00 C ATOM 1138 CG ASP A 86 -2.928 -13.228 -1.605 1.00 0.00 C ATOM 1139 OD1 ASP A 86 -1.764 -13.143 -1.150 1.00 0.00 O ATOM 1140 OD2 ASP A 86 -3.670 -14.198 -1.362 1.00 0.00 O ATOM 0 HA ASP A 86 -3.884 -12.759 -4.468 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.053 -11.145 -2.080 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -4.537 -12.035 -2.357 1.00 0.00 H new ATOM 1144 N ILE A 87 -2.298 -9.954 -3.780 1.00 0.00 N ATOM 1145 CA ILE A 87 -2.162 -8.544 -4.150 1.00 0.00 C ATOM 1146 C ILE A 87 -0.692 -8.137 -4.185 1.00 0.00 C ATOM 1147 O ILE A 87 0.022 -8.208 -3.179 1.00 0.00 O ATOM 1148 CB ILE A 87 -2.982 -7.615 -3.206 1.00 0.00 C ATOM 1149 CG1 ILE A 87 -2.204 -6.349 -2.817 1.00 0.00 C ATOM 1150 CG2 ILE A 87 -3.443 -8.360 -1.967 1.00 0.00 C ATOM 1151 CD1 ILE A 87 -2.375 -5.197 -3.778 1.00 0.00 C ATOM 0 H ILE A 87 -1.854 -10.196 -2.894 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.575 -8.424 -5.152 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.862 -7.297 -3.766 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.524 -6.030 -1.825 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.144 -6.595 -2.747 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.013 -7.685 -1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.073 -9.200 -2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.575 -8.731 -1.421 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.793 -4.343 -3.430 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.027 -5.494 -4.767 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -3.428 -4.921 -3.831 1.00 0.00 H new ATOM 1162 N PHE A 88 -0.253 -7.752 -5.369 1.00 0.00 N ATOM 1163 CA PHE A 88 1.116 -7.332 -5.607 1.00 0.00 C ATOM 1164 C PHE A 88 1.175 -5.866 -6.014 1.00 0.00 C ATOM 1165 O PHE A 88 0.477 -5.435 -6.929 1.00 0.00 O ATOM 1166 CB PHE A 88 1.744 -8.198 -6.704 1.00 0.00 C ATOM 1167 CG PHE A 88 0.758 -9.034 -7.483 1.00 0.00 C ATOM 1168 CD1 PHE A 88 -0.197 -8.445 -8.303 1.00 0.00 C ATOM 1169 CD2 PHE A 88 0.796 -10.419 -7.396 1.00 0.00 C ATOM 1170 CE1 PHE A 88 -1.092 -9.222 -9.013 1.00 0.00 C ATOM 1171 CE2 PHE A 88 -0.097 -11.198 -8.105 1.00 0.00 C ATOM 1172 CZ PHE A 88 -1.043 -10.601 -8.914 1.00 0.00 C ATOM 0 H PHE A 88 -0.842 -7.722 -6.201 1.00 0.00 H new ATOM 0 HA PHE A 88 1.676 -7.455 -4.680 1.00 0.00 H new ATOM 0 HB2 PHE A 88 2.280 -7.551 -7.398 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.482 -8.859 -6.250 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.240 -7.369 -8.386 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.534 -10.893 -6.766 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -1.831 -8.752 -9.646 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -0.055 -12.274 -8.027 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.743 -11.209 -9.468 1.00 0.00 H new ATOM 1181 N LEU A 89 1.998 -5.104 -5.316 1.00 0.00 N ATOM 1182 CA LEU A 89 2.227 -3.716 -5.667 1.00 0.00 C ATOM 1183 C LEU A 89 3.673 -3.495 -6.078 1.00 0.00 C ATOM 1184 O LEU A 89 4.499 -3.075 -5.268 1.00 0.00 O ATOM 1185 CB LEU A 89 1.853 -2.802 -4.502 1.00 0.00 C ATOM 1186 CG LEU A 89 0.356 -2.586 -4.323 1.00 0.00 C ATOM 1187 CD1 LEU A 89 0.085 -1.413 -3.413 1.00 0.00 C ATOM 1188 CD2 LEU A 89 -0.297 -2.359 -5.661 1.00 0.00 C ATOM 0 H LEU A 89 2.520 -5.425 -4.501 1.00 0.00 H new ATOM 0 HA LEU A 89 1.591 -3.469 -6.517 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.259 -3.223 -3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.332 -1.834 -4.648 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.065 -3.481 -3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.991 -1.280 -3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.531 -1.600 -2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.519 -0.511 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.367 -2.206 -5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.138 -1.478 -6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.135 -3.229 -6.297 1.00 0.00 H new ATOM 1199 N ASP A 90 3.977 -3.843 -7.335 1.00 0.00 N ATOM 1200 CA ASP A 90 5.326 -3.711 -7.910 1.00 0.00 C ATOM 1201 C ASP A 90 6.273 -4.729 -7.273 1.00 0.00 C ATOM 1202 O ASP A 90 7.396 -4.927 -7.724 1.00 0.00 O ATOM 1203 CB ASP A 90 5.857 -2.274 -7.748 1.00 0.00 C ATOM 1204 CG ASP A 90 7.147 -2.018 -8.514 1.00 0.00 C ATOM 1205 OD1 ASP A 90 7.167 -2.238 -9.749 1.00 0.00 O ATOM 1206 OD2 ASP A 90 8.143 -1.589 -7.891 1.00 0.00 O ATOM 0 H ASP A 90 3.292 -4.226 -7.987 1.00 0.00 H new ATOM 0 HA ASP A 90 5.270 -3.919 -8.979 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.095 -1.572 -8.088 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.025 -2.074 -6.690 1.00 0.00 H new ATOM 1210 N ASP A 91 5.758 -5.388 -6.230 1.00 0.00 N ATOM 1211 CA ASP A 91 6.458 -6.406 -5.438 1.00 0.00 C ATOM 1212 C ASP A 91 7.888 -6.021 -5.103 1.00 0.00 C ATOM 1213 O ASP A 91 8.755 -6.877 -4.936 1.00 0.00 O ATOM 1214 CB ASP A 91 6.392 -7.797 -6.099 1.00 0.00 C ATOM 1215 CG ASP A 91 7.225 -7.951 -7.366 1.00 0.00 C ATOM 1216 OD1 ASP A 91 8.406 -8.338 -7.261 1.00 0.00 O ATOM 1217 OD2 ASP A 91 6.683 -7.742 -8.473 1.00 0.00 O ATOM 0 H ASP A 91 4.807 -5.221 -5.902 1.00 0.00 H new ATOM 0 HA ASP A 91 5.923 -6.463 -4.490 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.720 -8.542 -5.374 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.352 -8.020 -6.337 1.00 0.00 H new ATOM 1221 N VAL A 92 8.109 -4.733 -4.935 1.00 0.00 N ATOM 1222 CA VAL A 92 9.440 -4.216 -4.682 1.00 0.00 C ATOM 1223 C VAL A 92 9.420 -3.115 -3.613 1.00 0.00 C ATOM 1224 O VAL A 92 10.462 -2.713 -3.112 1.00 0.00 O ATOM 1225 CB VAL A 92 10.042 -3.693 -6.014 1.00 0.00 C ATOM 1226 CG1 VAL A 92 11.261 -2.801 -5.804 1.00 0.00 C ATOM 1227 CG2 VAL A 92 10.414 -4.854 -6.923 1.00 0.00 C ATOM 0 H VAL A 92 7.380 -4.021 -4.969 1.00 0.00 H new ATOM 0 HA VAL A 92 10.066 -5.020 -4.295 1.00 0.00 H new ATOM 0 HB VAL A 92 9.268 -3.085 -6.483 1.00 0.00 H new ATOM 0 HG11 VAL A 92 11.638 -2.466 -6.770 1.00 0.00 H new ATOM 0 HG12 VAL A 92 10.979 -1.935 -5.205 1.00 0.00 H new ATOM 0 HG13 VAL A 92 12.038 -3.363 -5.287 1.00 0.00 H new ATOM 0 HG21 VAL A 92 10.834 -4.469 -7.852 1.00 0.00 H new ATOM 0 HG22 VAL A 92 11.151 -5.484 -6.425 1.00 0.00 H new ATOM 0 HG23 VAL A 92 9.524 -5.443 -7.144 1.00 0.00 H new ATOM 1237 N THR A 93 8.230 -2.661 -3.217 1.00 0.00 N ATOM 1238 CA THR A 93 8.141 -1.491 -2.345 1.00 0.00 C ATOM 1239 C THR A 93 7.664 -1.829 -0.930 1.00 0.00 C ATOM 1240 O THR A 93 7.752 -1.002 -0.022 1.00 0.00 O ATOM 1241 CB THR A 93 7.182 -0.431 -2.926 1.00 0.00 C ATOM 1242 OG1 THR A 93 5.904 -0.536 -2.294 1.00 0.00 O ATOM 1243 CG2 THR A 93 7.002 -0.592 -4.434 1.00 0.00 C ATOM 0 H THR A 93 7.335 -3.074 -3.479 1.00 0.00 H new ATOM 0 HA THR A 93 9.157 -1.102 -2.288 1.00 0.00 H new ATOM 0 HB THR A 93 7.623 0.547 -2.735 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.202 -0.564 -2.978 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.320 0.174 -4.803 1.00 0.00 H new ATOM 0 HG22 THR A 93 7.967 -0.487 -4.929 1.00 0.00 H new ATOM 0 HG23 THR A 93 6.590 -1.578 -4.648 1.00 0.00 H new ATOM 1251 N VAL A 94 7.138 -3.024 -0.736 1.00 0.00 N ATOM 1252 CA VAL A 94 6.487 -3.357 0.525 1.00 0.00 C ATOM 1253 C VAL A 94 7.202 -4.509 1.210 1.00 0.00 C ATOM 1254 O VAL A 94 7.729 -5.385 0.540 1.00 0.00 O ATOM 1255 CB VAL A 94 5.011 -3.761 0.299 1.00 0.00 C ATOM 1256 CG1 VAL A 94 4.208 -3.627 1.581 1.00 0.00 C ATOM 1257 CG2 VAL A 94 4.379 -2.950 -0.823 1.00 0.00 C ATOM 0 H VAL A 94 7.146 -3.776 -1.425 1.00 0.00 H new ATOM 0 HA VAL A 94 6.528 -2.468 1.155 1.00 0.00 H new ATOM 0 HB VAL A 94 4.999 -4.809 -0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.174 -3.917 1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.634 -4.275 2.347 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.239 -2.593 1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.342 -3.259 -0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.412 -1.890 -0.569 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.929 -3.119 -1.749 1.00 0.00 H new ATOM 1267 N SER A 95 7.224 -4.507 2.539 1.00 0.00 N ATOM 1268 CA SER A 95 7.778 -5.622 3.298 1.00 0.00 C ATOM 1269 C SER A 95 6.849 -6.828 3.203 1.00 0.00 C ATOM 1270 O SER A 95 6.124 -7.143 4.142 1.00 0.00 O ATOM 1271 CB SER A 95 7.986 -5.214 4.755 1.00 0.00 C ATOM 1272 OG SER A 95 8.801 -4.058 4.837 1.00 0.00 O ATOM 0 H SER A 95 6.864 -3.745 3.113 1.00 0.00 H new ATOM 0 HA SER A 95 8.745 -5.896 2.877 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.022 -5.020 5.225 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.450 -6.033 5.305 1.00 0.00 H new ATOM 0 HG SER A 95 8.923 -3.809 5.777 1.00 0.00 H new ATOM 1277 N ARG A 96 6.895 -7.485 2.044 1.00 0.00 N ATOM 1278 CA ARG A 96 5.968 -8.569 1.674 1.00 0.00 C ATOM 1279 C ARG A 96 4.521 -8.090 1.587 1.00 0.00 C ATOM 1280 O ARG A 96 3.889 -8.190 0.546 1.00 0.00 O ATOM 1281 CB ARG A 96 6.057 -9.766 2.615 1.00 0.00 C ATOM 1282 CG ARG A 96 5.659 -11.056 1.925 1.00 0.00 C ATOM 1283 CD ARG A 96 4.192 -11.425 2.097 1.00 0.00 C ATOM 1284 NE ARG A 96 3.811 -12.490 1.185 1.00 0.00 N ATOM 1285 CZ ARG A 96 3.607 -13.755 1.573 1.00 0.00 C ATOM 1286 NH1 ARG A 96 3.724 -14.090 2.853 1.00 0.00 N ATOM 1287 NH2 ARG A 96 3.300 -14.689 0.685 1.00 0.00 N ATOM 0 H ARG A 96 7.585 -7.281 1.321 1.00 0.00 H new ATOM 0 HA ARG A 96 6.286 -8.892 0.683 1.00 0.00 H new ATOM 0 HB2 ARG A 96 7.075 -9.856 2.994 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.410 -9.600 3.476 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.879 -10.969 0.861 1.00 0.00 H new ATOM 0 HG3 ARG A 96 6.275 -11.868 2.312 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.011 -11.740 3.125 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.570 -10.548 1.918 1.00 0.00 H new ATOM 0 HE ARG A 96 3.693 -12.262 0.198 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.970 -13.382 3.545 1.00 0.00 H new ATOM 0 HH12 ARG A 96 3.568 -15.055 3.144 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.218 -14.447 -0.302 1.00 0.00 H new ATOM 0 HH22 ARG A 96 3.146 -15.651 0.989 1.00 0.00 H new ATOM 1298 N ARG A 97 3.977 -7.611 2.674 1.00 0.00 N ATOM 1299 CA ARG A 97 2.630 -7.080 2.645 1.00 0.00 C ATOM 1300 C ARG A 97 2.432 -6.051 3.730 1.00 0.00 C ATOM 1301 O ARG A 97 2.927 -6.186 4.844 1.00 0.00 O ATOM 1302 CB ARG A 97 1.588 -8.206 2.748 1.00 0.00 C ATOM 1303 CG ARG A 97 1.365 -8.787 4.136 1.00 0.00 C ATOM 1304 CD ARG A 97 2.482 -9.716 4.577 1.00 0.00 C ATOM 1305 NE ARG A 97 1.965 -10.775 5.436 1.00 0.00 N ATOM 1306 CZ ARG A 97 2.438 -11.075 6.648 1.00 0.00 C ATOM 1307 NH1 ARG A 97 3.486 -10.432 7.145 1.00 0.00 N ATOM 1308 NH2 ARG A 97 1.864 -12.029 7.364 1.00 0.00 N ATOM 0 H ARG A 97 4.436 -7.575 3.584 1.00 0.00 H new ATOM 0 HA ARG A 97 2.486 -6.584 1.685 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.635 -7.827 2.378 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.890 -9.015 2.082 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.273 -7.972 4.854 1.00 0.00 H new ATOM 0 HG3 ARG A 97 0.421 -9.332 4.148 1.00 0.00 H new ATOM 0 HD2 ARG A 97 2.964 -10.153 3.703 1.00 0.00 H new ATOM 0 HD3 ARG A 97 3.244 -9.148 5.111 1.00 0.00 H new ATOM 0 HE ARG A 97 1.183 -11.328 5.085 1.00 0.00 H new ATOM 0 HH11 ARG A 97 3.940 -9.699 6.600 1.00 0.00 H new ATOM 0 HH12 ARG A 97 3.838 -10.670 8.072 1.00 0.00 H new ATOM 0 HH21 ARG A 97 1.061 -12.534 6.990 1.00 0.00 H new ATOM 0 HH22 ARG A 97 2.225 -12.259 8.290 1.00 0.00 H new ATOM 1319 N HIS A 98 1.725 -4.999 3.352 1.00 0.00 N ATOM 1320 CA HIS A 98 1.363 -3.939 4.266 1.00 0.00 C ATOM 1321 C HIS A 98 0.352 -4.482 5.240 1.00 0.00 C ATOM 1322 O HIS A 98 0.371 -4.204 6.435 1.00 0.00 O ATOM 1323 CB HIS A 98 0.770 -2.747 3.480 1.00 0.00 C ATOM 1324 CG HIS A 98 -0.710 -2.509 3.687 1.00 0.00 C ATOM 1325 ND1 HIS A 98 -1.194 -1.648 4.642 1.00 0.00 N ATOM 1326 CD2 HIS A 98 -1.811 -3.004 3.048 1.00 0.00 C ATOM 1327 CE1 HIS A 98 -2.510 -1.622 4.595 1.00 0.00 C ATOM 1328 NE2 HIS A 98 -2.914 -2.432 3.635 1.00 0.00 N ATOM 0 H HIS A 98 1.387 -4.860 2.400 1.00 0.00 H new ATOM 0 HA HIS A 98 2.242 -3.586 4.805 1.00 0.00 H new ATOM 0 HB2 HIS A 98 1.310 -1.843 3.762 1.00 0.00 H new ATOM 0 HB3 HIS A 98 0.950 -2.908 2.417 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -0.620 -1.109 5.291 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -1.814 -3.713 2.233 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -3.152 -1.035 5.236 1.00 0.00 H new ATOM 1336 N ALA A 99 -0.526 -5.267 4.679 1.00 0.00 N ATOM 1337 CA ALA A 99 -1.611 -5.846 5.392 1.00 0.00 C ATOM 1338 C ALA A 99 -2.060 -7.044 4.628 1.00 0.00 C ATOM 1339 O ALA A 99 -1.510 -7.360 3.575 1.00 0.00 O ATOM 1340 CB ALA A 99 -2.762 -4.864 5.543 1.00 0.00 C ATOM 0 H ALA A 99 -0.499 -5.522 3.692 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.287 -6.119 6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.575 -5.338 6.093 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.420 -3.984 6.088 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.117 -4.565 4.557 1.00 0.00 H new ATOM 1346 N GLU A 100 -3.039 -7.704 5.148 1.00 0.00 N ATOM 1347 CA GLU A 100 -3.653 -8.785 4.451 1.00 0.00 C ATOM 1348 C GLU A 100 -5.133 -8.744 4.729 1.00 0.00 C ATOM 1349 O GLU A 100 -5.554 -8.548 5.871 1.00 0.00 O ATOM 1350 CB GLU A 100 -2.974 -10.101 4.843 1.00 0.00 C ATOM 1351 CG GLU A 100 -2.824 -10.297 6.341 1.00 0.00 C ATOM 1352 CD GLU A 100 -2.069 -11.561 6.677 1.00 0.00 C ATOM 1353 OE1 GLU A 100 -0.861 -11.636 6.382 1.00 0.00 O ATOM 1354 OE2 GLU A 100 -2.682 -12.493 7.229 1.00 0.00 O ATOM 0 H GLU A 100 -3.437 -7.510 6.067 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.527 -8.700 3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.550 -10.931 4.434 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.987 -10.140 4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.303 -9.440 6.768 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.811 -10.332 6.802 1.00 0.00 H new ATOM 1359 N PHE A 101 -5.900 -8.837 3.650 1.00 0.00 N ATOM 1360 CA PHE A 101 -7.336 -8.727 3.687 1.00 0.00 C ATOM 1361 C PHE A 101 -7.895 -9.805 4.579 1.00 0.00 C ATOM 1362 O PHE A 101 -8.139 -10.932 4.168 1.00 0.00 O ATOM 1363 CB PHE A 101 -7.895 -8.796 2.252 1.00 0.00 C ATOM 1364 CG PHE A 101 -9.216 -9.498 2.133 1.00 0.00 C ATOM 1365 CD1 PHE A 101 -10.343 -9.029 2.783 1.00 0.00 C ATOM 1366 CD2 PHE A 101 -9.314 -10.652 1.378 1.00 0.00 C ATOM 1367 CE1 PHE A 101 -11.541 -9.700 2.673 1.00 0.00 C ATOM 1368 CE2 PHE A 101 -10.504 -11.324 1.270 1.00 0.00 C ATOM 1369 CZ PHE A 101 -11.622 -10.849 1.918 1.00 0.00 C ATOM 0 H PHE A 101 -5.527 -8.994 2.714 1.00 0.00 H new ATOM 0 HA PHE A 101 -7.638 -7.767 4.105 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.001 -7.782 1.867 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.169 -9.304 1.617 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.283 -8.131 3.380 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.441 -11.029 0.866 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -12.418 -9.325 3.179 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -10.564 -12.225 0.677 1.00 0.00 H new ATOM 0 HZ PHE A 101 -12.561 -11.376 1.834 1.00 0.00 H new ATOM 1378 N ARG A 102 -8.031 -9.463 5.828 1.00 0.00 N ATOM 1379 CA ARG A 102 -8.522 -10.385 6.780 1.00 0.00 C ATOM 1380 C ARG A 102 -10.038 -10.273 6.851 1.00 0.00 C ATOM 1381 O ARG A 102 -10.569 -9.337 7.454 1.00 0.00 O ATOM 1382 CB ARG A 102 -7.896 -10.116 8.149 1.00 0.00 C ATOM 1383 CG ARG A 102 -8.303 -11.117 9.210 1.00 0.00 C ATOM 1384 CD ARG A 102 -7.992 -12.533 8.770 1.00 0.00 C ATOM 1385 NE ARG A 102 -6.592 -12.692 8.384 1.00 0.00 N ATOM 1386 CZ ARG A 102 -5.862 -13.754 8.730 1.00 0.00 C ATOM 1387 NH1 ARG A 102 -6.396 -14.701 9.492 1.00 0.00 N ATOM 1388 NH2 ARG A 102 -4.601 -13.870 8.336 1.00 0.00 N ATOM 0 H ARG A 102 -7.803 -8.542 6.202 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.253 -11.397 6.479 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -6.810 -10.125 8.051 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -8.178 -9.116 8.478 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -7.779 -10.899 10.141 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -9.369 -11.022 9.414 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -8.225 -13.224 9.580 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -8.632 -12.800 7.929 1.00 0.00 H new ATOM 0 HE ARG A 102 -6.154 -11.959 7.826 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -7.361 -14.615 9.811 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.841 -15.514 9.759 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -4.177 -13.142 7.761 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.055 -14.687 8.608 1.00 0.00 H new ATOM 1399 N LEU A 103 -10.736 -11.184 6.199 1.00 0.00 N ATOM 1400 CA LEU A 103 -12.187 -11.156 6.222 1.00 0.00 C ATOM 1401 C LEU A 103 -12.697 -11.710 7.541 1.00 0.00 C ATOM 1402 O LEU A 103 -12.573 -12.904 7.818 1.00 0.00 O ATOM 1403 CB LEU A 103 -12.777 -11.928 5.036 1.00 0.00 C ATOM 1404 CG LEU A 103 -14.293 -11.746 4.825 1.00 0.00 C ATOM 1405 CD1 LEU A 103 -14.676 -12.036 3.389 1.00 0.00 C ATOM 1406 CD2 LEU A 103 -15.091 -12.644 5.744 1.00 0.00 C ATOM 0 H LEU A 103 -10.329 -11.944 5.653 1.00 0.00 H new ATOM 0 HA LEU A 103 -12.513 -10.120 6.130 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.260 -11.618 4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.570 -12.989 5.174 1.00 0.00 H new ATOM 0 HG LEU A 103 -14.526 -10.707 5.059 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -15.750 -11.901 3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -14.145 -11.353 2.726 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.408 -13.063 3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -16.156 -12.490 5.569 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -14.837 -13.685 5.545 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -14.856 -12.405 6.781 1.00 0.00 H new ATOM 1417 N GLU A 104 -13.261 -10.829 8.347 1.00 0.00 N ATOM 1418 CA GLU A 104 -13.830 -11.202 9.629 1.00 0.00 C ATOM 1419 C GLU A 104 -15.214 -10.594 9.764 1.00 0.00 C ATOM 1420 O GLU A 104 -15.429 -9.443 9.381 1.00 0.00 O ATOM 1421 CB GLU A 104 -12.933 -10.739 10.777 1.00 0.00 C ATOM 1422 CG GLU A 104 -11.586 -11.437 10.812 1.00 0.00 C ATOM 1423 CD GLU A 104 -11.710 -12.933 11.018 1.00 0.00 C ATOM 1424 OE1 GLU A 104 -12.408 -13.351 11.967 1.00 0.00 O ATOM 1425 OE2 GLU A 104 -11.106 -13.699 10.241 1.00 0.00 O ATOM 0 H GLU A 104 -13.337 -9.835 8.131 1.00 0.00 H new ATOM 0 HA GLU A 104 -13.906 -12.288 9.678 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.774 -9.664 10.693 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.448 -10.912 11.722 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.057 -11.245 9.878 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.982 -11.012 11.614 1.00 0.00 H new ATOM 1430 N ASN A 105 -16.144 -11.375 10.303 1.00 0.00 N ATOM 1431 CA ASN A 105 -17.548 -10.981 10.405 1.00 0.00 C ATOM 1432 C ASN A 105 -18.116 -10.701 9.018 1.00 0.00 C ATOM 1433 O ASN A 105 -19.006 -9.872 8.856 1.00 0.00 O ATOM 1434 CB ASN A 105 -17.719 -9.750 11.309 1.00 0.00 C ATOM 1435 CG ASN A 105 -17.159 -9.959 12.706 1.00 0.00 C ATOM 1436 OD1 ASN A 105 -17.829 -10.504 13.582 1.00 0.00 O ATOM 1437 ND2 ASN A 105 -15.931 -9.509 12.934 1.00 0.00 N ATOM 0 H ASN A 105 -15.947 -12.301 10.683 1.00 0.00 H new ATOM 0 HA ASN A 105 -18.098 -11.806 10.857 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -17.223 -8.896 10.848 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -18.778 -9.503 11.381 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -15.514 -9.610 13.860 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -15.404 -9.062 12.184 1.00 0.00 H new ATOM 1443 N ASN A 106 -17.585 -11.427 8.027 1.00 0.00 N ATOM 1444 CA ASN A 106 -17.973 -11.284 6.611 1.00 0.00 C ATOM 1445 C ASN A 106 -17.489 -9.969 6.021 1.00 0.00 C ATOM 1446 O ASN A 106 -17.753 -9.667 4.858 1.00 0.00 O ATOM 1447 CB ASN A 106 -19.481 -11.404 6.415 1.00 0.00 C ATOM 1448 CG ASN A 106 -20.007 -12.783 6.747 1.00 0.00 C ATOM 1449 OD1 ASN A 106 -20.045 -13.669 5.892 1.00 0.00 O ATOM 1450 ND2 ASN A 106 -20.425 -12.975 7.984 1.00 0.00 N ATOM 0 H ASN A 106 -16.869 -12.136 8.182 1.00 0.00 H new ATOM 0 HA ASN A 106 -17.488 -12.105 6.083 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -19.984 -10.668 7.042 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -19.729 -11.165 5.381 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -20.796 -13.883 8.262 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -20.377 -12.215 8.662 1.00 0.00 H new ATOM 1456 N GLU A 107 -16.762 -9.205 6.809 1.00 0.00 N ATOM 1457 CA GLU A 107 -16.255 -7.925 6.360 1.00 0.00 C ATOM 1458 C GLU A 107 -14.834 -8.065 5.874 1.00 0.00 C ATOM 1459 O GLU A 107 -14.076 -8.901 6.361 1.00 0.00 O ATOM 1460 CB GLU A 107 -16.304 -6.881 7.477 1.00 0.00 C ATOM 1461 CG GLU A 107 -17.416 -5.859 7.326 1.00 0.00 C ATOM 1462 CD GLU A 107 -18.790 -6.456 7.489 1.00 0.00 C ATOM 1463 OE1 GLU A 107 -19.146 -6.816 8.627 1.00 0.00 O ATOM 1464 OE2 GLU A 107 -19.520 -6.567 6.482 1.00 0.00 O ATOM 0 H GLU A 107 -16.508 -9.449 7.766 1.00 0.00 H new ATOM 0 HA GLU A 107 -16.893 -7.590 5.542 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -16.423 -7.393 8.432 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -15.348 -6.358 7.513 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -17.279 -5.069 8.065 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -17.343 -5.393 6.344 1.00 0.00 H new ATOM 1469 N PHE A 108 -14.478 -7.240 4.917 1.00 0.00 N ATOM 1470 CA PHE A 108 -13.131 -7.222 4.393 1.00 0.00 C ATOM 1471 C PHE A 108 -12.344 -6.162 5.147 1.00 0.00 C ATOM 1472 O PHE A 108 -12.768 -5.009 5.215 1.00 0.00 O ATOM 1473 CB PHE A 108 -13.144 -6.937 2.884 1.00 0.00 C ATOM 1474 CG PHE A 108 -14.378 -7.453 2.178 1.00 0.00 C ATOM 1475 CD1 PHE A 108 -14.451 -8.762 1.713 1.00 0.00 C ATOM 1476 CD2 PHE A 108 -15.473 -6.625 1.988 1.00 0.00 C ATOM 1477 CE1 PHE A 108 -15.585 -9.224 1.074 1.00 0.00 C ATOM 1478 CE2 PHE A 108 -16.609 -7.086 1.352 1.00 0.00 C ATOM 1479 CZ PHE A 108 -16.665 -8.388 0.896 1.00 0.00 C ATOM 0 H PHE A 108 -15.108 -6.567 4.482 1.00 0.00 H new ATOM 0 HA PHE A 108 -12.659 -8.194 4.532 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -13.069 -5.861 2.726 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -12.261 -7.388 2.430 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -13.610 -9.425 1.853 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -15.438 -5.605 2.342 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -15.625 -10.241 0.714 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -17.454 -6.428 1.211 1.00 0.00 H new ATOM 0 HZ PHE A 108 -17.554 -8.750 0.401 1.00 0.00 H new ATOM 1488 N ASN A 109 -11.229 -6.553 5.748 1.00 0.00 N ATOM 1489 CA ASN A 109 -10.467 -5.638 6.595 1.00 0.00 C ATOM 1490 C ASN A 109 -8.991 -5.712 6.259 1.00 0.00 C ATOM 1491 O ASN A 109 -8.519 -6.731 5.758 1.00 0.00 O ATOM 1492 CB ASN A 109 -10.653 -5.991 8.078 1.00 0.00 C ATOM 1493 CG ASN A 109 -12.106 -6.149 8.472 1.00 0.00 C ATOM 1494 OD1 ASN A 109 -12.757 -5.202 8.893 1.00 0.00 O ATOM 1495 ND2 ASN A 109 -12.620 -7.359 8.339 1.00 0.00 N ATOM 0 H ASN A 109 -10.832 -7.489 5.668 1.00 0.00 H new ATOM 0 HA ASN A 109 -10.836 -4.629 6.412 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -10.121 -6.917 8.294 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -10.199 -5.212 8.691 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -13.593 -7.530 8.591 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -12.043 -8.122 7.984 1.00 0.00 H new ATOM 1501 N VAL A 110 -8.256 -4.641 6.530 1.00 0.00 N ATOM 1502 CA VAL A 110 -6.813 -4.664 6.333 1.00 0.00 C ATOM 1503 C VAL A 110 -6.087 -4.695 7.663 1.00 0.00 C ATOM 1504 O VAL A 110 -6.226 -3.793 8.485 1.00 0.00 O ATOM 1505 CB VAL A 110 -6.306 -3.481 5.478 1.00 0.00 C ATOM 1506 CG1 VAL A 110 -7.070 -3.440 4.190 1.00 0.00 C ATOM 1507 CG2 VAL A 110 -6.420 -2.140 6.189 1.00 0.00 C ATOM 0 H VAL A 110 -8.628 -3.759 6.881 1.00 0.00 H new ATOM 0 HA VAL A 110 -6.593 -5.578 5.781 1.00 0.00 H new ATOM 0 HB VAL A 110 -5.245 -3.647 5.291 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -6.716 -2.607 3.583 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.919 -4.374 3.648 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.132 -3.310 4.401 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -6.048 -1.350 5.537 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -7.464 -1.946 6.435 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.830 -2.162 7.105 1.00 0.00 H new ATOM 1517 N VAL A 111 -5.315 -5.740 7.870 1.00 0.00 N ATOM 1518 CA VAL A 111 -4.546 -5.870 9.094 1.00 0.00 C ATOM 1519 C VAL A 111 -3.106 -5.488 8.838 1.00 0.00 C ATOM 1520 O VAL A 111 -2.392 -6.203 8.139 1.00 0.00 O ATOM 1521 CB VAL A 111 -4.583 -7.309 9.646 1.00 0.00 C ATOM 1522 CG1 VAL A 111 -3.716 -7.415 10.893 1.00 0.00 C ATOM 1523 CG2 VAL A 111 -6.011 -7.746 9.935 1.00 0.00 C ATOM 0 H VAL A 111 -5.202 -6.510 7.211 1.00 0.00 H new ATOM 0 HA VAL A 111 -4.995 -5.204 9.831 1.00 0.00 H new ATOM 0 HB VAL A 111 -4.181 -7.981 8.888 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.750 -8.436 11.274 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -2.687 -7.155 10.644 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.089 -6.731 11.655 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -6.008 -8.765 10.323 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.454 -7.077 10.673 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -6.596 -7.710 9.016 1.00 0.00 H new ATOM 1533 N ASP A 112 -2.681 -4.369 9.413 1.00 0.00 N ATOM 1534 CA ASP A 112 -1.316 -3.887 9.216 1.00 0.00 C ATOM 1535 C ASP A 112 -0.348 -4.847 9.895 1.00 0.00 C ATOM 1536 O ASP A 112 -0.420 -5.060 11.108 1.00 0.00 O ATOM 1537 CB ASP A 112 -1.133 -2.471 9.770 1.00 0.00 C ATOM 1538 CG ASP A 112 0.300 -1.966 9.638 1.00 0.00 C ATOM 1539 OD1 ASP A 112 0.874 -2.054 8.526 1.00 0.00 O ATOM 1540 OD2 ASP A 112 0.849 -1.472 10.643 1.00 0.00 O ATOM 0 H ASP A 112 -3.256 -3.781 10.016 1.00 0.00 H new ATOM 0 HA ASP A 112 -1.112 -3.847 8.146 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -1.803 -1.791 9.244 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -1.423 -2.456 10.821 1.00 0.00 H new ATOM 1544 N VAL A 113 0.541 -5.434 9.116 1.00 0.00 N ATOM 1545 CA VAL A 113 1.381 -6.516 9.605 1.00 0.00 C ATOM 1546 C VAL A 113 2.853 -6.167 9.497 1.00 0.00 C ATOM 1547 O VAL A 113 3.707 -6.862 10.050 1.00 0.00 O ATOM 1548 CB VAL A 113 1.122 -7.822 8.829 1.00 0.00 C ATOM 1549 CG1 VAL A 113 -0.248 -8.395 9.163 1.00 0.00 C ATOM 1550 CG2 VAL A 113 1.246 -7.575 7.335 1.00 0.00 C ATOM 0 H VAL A 113 0.702 -5.181 8.141 1.00 0.00 H new ATOM 0 HA VAL A 113 1.122 -6.662 10.654 1.00 0.00 H new ATOM 0 HB VAL A 113 1.873 -8.553 9.129 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -0.404 -9.316 8.601 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.303 -8.607 10.231 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.019 -7.673 8.896 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.061 -8.504 6.796 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.516 -6.826 7.028 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.250 -7.217 7.107 1.00 0.00 H new ATOM 1560 N GLY A 114 3.145 -5.096 8.784 1.00 0.00 N ATOM 1561 CA GLY A 114 4.516 -4.686 8.614 1.00 0.00 C ATOM 1562 C GLY A 114 4.765 -4.060 7.262 1.00 0.00 C ATOM 1563 O GLY A 114 5.405 -4.653 6.396 1.00 0.00 O ATOM 0 H GLY A 114 2.457 -4.503 8.320 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.779 -3.973 9.396 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.169 -5.550 8.737 1.00 0.00 H new ATOM 1567 N SER A 115 4.247 -2.861 7.079 1.00 0.00 N ATOM 1568 CA SER A 115 4.432 -2.131 5.840 1.00 0.00 C ATOM 1569 C SER A 115 5.749 -1.374 5.877 1.00 0.00 C ATOM 1570 O SER A 115 6.037 -0.702 6.867 1.00 0.00 O ATOM 1571 CB SER A 115 3.283 -1.154 5.662 1.00 0.00 C ATOM 1572 OG SER A 115 2.052 -1.774 5.962 1.00 0.00 O ATOM 0 H SER A 115 3.691 -2.369 7.778 1.00 0.00 H new ATOM 0 HA SER A 115 4.451 -2.831 5.005 1.00 0.00 H new ATOM 0 HB2 SER A 115 3.429 -0.291 6.311 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.269 -0.783 4.637 1.00 0.00 H new ATOM 0 HG SER A 115 1.349 -1.094 6.022 1.00 0.00 H new ATOM 1577 N LEU A 116 6.557 -1.475 4.817 1.00 0.00 N ATOM 1578 CA LEU A 116 7.843 -0.788 4.811 1.00 0.00 C ATOM 1579 C LEU A 116 7.687 0.735 4.935 1.00 0.00 C ATOM 1580 O LEU A 116 8.240 1.341 5.849 1.00 0.00 O ATOM 1581 CB LEU A 116 8.602 -1.124 3.544 1.00 0.00 C ATOM 1582 CG LEU A 116 10.025 -0.586 3.489 1.00 0.00 C ATOM 1583 CD1 LEU A 116 10.894 -1.200 4.578 1.00 0.00 C ATOM 1584 CD2 LEU A 116 10.605 -0.865 2.133 1.00 0.00 C ATOM 0 H LEU A 116 6.348 -2.012 3.975 1.00 0.00 H new ATOM 0 HA LEU A 116 8.401 -1.134 5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.634 -2.208 3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 116 8.048 -0.733 2.691 1.00 0.00 H new ATOM 0 HG LEU A 116 9.999 0.490 3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 116 11.903 -0.794 4.510 1.00 0.00 H new ATOM 0 HD12 LEU A 116 10.473 -0.964 5.555 1.00 0.00 H new ATOM 0 HD13 LEU A 116 10.929 -2.282 4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 116 11.624 -0.482 2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 116 10.613 -1.940 1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.999 -0.376 1.370 1.00 0.00 H new ATOM 1595 N ASN A 117 6.933 1.351 4.024 1.00 0.00 N ATOM 1596 CA ASN A 117 6.688 2.795 4.105 1.00 0.00 C ATOM 1597 C ASN A 117 5.718 3.092 5.254 1.00 0.00 C ATOM 1598 O ASN A 117 5.839 4.100 5.951 1.00 0.00 O ATOM 1599 CB ASN A 117 6.097 3.324 2.796 1.00 0.00 C ATOM 1600 CG ASN A 117 4.589 3.500 2.853 1.00 0.00 C ATOM 1601 OD1 ASN A 117 3.857 2.413 2.681 1.00 0.00 O flip ATOM 1602 ND2 ASN A 117 4.093 4.591 3.073 1.00 0.00 N flip ATOM 0 H ASN A 117 6.487 0.885 3.234 1.00 0.00 H new ATOM 0 HA ASN A 117 7.641 3.293 4.285 1.00 0.00 H new ATOM 0 HB2 ASN A 117 6.560 4.281 2.556 1.00 0.00 H new ATOM 0 HB3 ASN A 117 6.347 2.637 1.987 1.00 0.00 H new ATOM 0 HD21 ASN A 117 4.692 5.407 3.200 1.00 0.00 H new ATOM 0 HD22 ASN A 117 3.079 4.688 3.130 1.00 0.00 H new ATOM 1608 N GLY A 118 4.762 2.179 5.446 1.00 0.00 N ATOM 1609 CA GLY A 118 3.714 2.376 6.425 1.00 0.00 C ATOM 1610 C GLY A 118 2.320 2.045 5.892 1.00 0.00 C ATOM 1611 O GLY A 118 2.142 1.741 4.686 1.00 0.00 O ATOM 0 H GLY A 118 4.701 1.300 4.932 1.00 0.00 H new ATOM 0 HA2 GLY A 118 3.919 1.755 7.297 1.00 0.00 H new ATOM 0 HA3 GLY A 118 3.730 3.413 6.761 1.00 0.00 H new ATOM 1615 N THR A 119 1.366 1.997 6.831 1.00 0.00 N ATOM 1616 CA THR A 119 -0.060 1.888 6.537 1.00 0.00 C ATOM 1617 C THR A 119 -0.805 3.154 6.963 1.00 0.00 C ATOM 1618 O THR A 119 -0.716 3.565 8.121 1.00 0.00 O ATOM 1619 CB THR A 119 -0.690 0.689 7.274 1.00 0.00 C ATOM 1620 OG1 THR A 119 -0.177 -0.530 6.745 1.00 0.00 O ATOM 1621 CG2 THR A 119 -2.211 0.695 7.157 1.00 0.00 C ATOM 0 H THR A 119 1.571 2.034 7.829 1.00 0.00 H new ATOM 0 HA THR A 119 -0.151 1.748 5.460 1.00 0.00 H new ATOM 0 HB THR A 119 -0.430 0.774 8.329 1.00 0.00 H new ATOM 0 HG1 THR A 119 0.238 -1.050 7.465 1.00 0.00 H new ATOM 0 HG21 THR A 119 -2.620 -0.164 7.688 1.00 0.00 H new ATOM 0 HG22 THR A 119 -2.606 1.613 7.593 1.00 0.00 H new ATOM 0 HG23 THR A 119 -2.495 0.641 6.106 1.00 0.00 H new ATOM 1629 N TYR A 120 -1.544 3.760 6.045 1.00 0.00 N ATOM 1630 CA TYR A 120 -2.403 4.889 6.392 1.00 0.00 C ATOM 1631 C TYR A 120 -3.797 4.715 5.798 1.00 0.00 C ATOM 1632 O TYR A 120 -3.998 4.876 4.598 1.00 0.00 O ATOM 1633 CB TYR A 120 -1.788 6.214 5.925 1.00 0.00 C ATOM 1634 CG TYR A 120 -0.833 6.834 6.923 1.00 0.00 C ATOM 1635 CD1 TYR A 120 0.369 6.219 7.242 1.00 0.00 C ATOM 1636 CD2 TYR A 120 -1.137 8.036 7.548 1.00 0.00 C ATOM 1637 CE1 TYR A 120 1.242 6.781 8.152 1.00 0.00 C ATOM 1638 CE2 TYR A 120 -0.268 8.609 8.460 1.00 0.00 C ATOM 1639 CZ TYR A 120 0.920 7.974 8.759 1.00 0.00 C ATOM 1640 OH TYR A 120 1.793 8.538 9.663 1.00 0.00 O ATOM 0 H TYR A 120 -1.568 3.494 5.061 1.00 0.00 H new ATOM 0 HA TYR A 120 -2.491 4.916 7.478 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -1.259 6.047 4.987 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -2.590 6.922 5.717 1.00 0.00 H new ATOM 0 HD1 TYR A 120 0.627 5.283 6.769 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -2.068 8.533 7.318 1.00 0.00 H new ATOM 0 HE1 TYR A 120 2.173 6.287 8.387 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -0.518 9.547 8.934 1.00 0.00 H new ATOM 0 HH TYR A 120 1.418 9.378 10.000 1.00 0.00 H new ATOM 1649 N VAL A 121 -4.755 4.382 6.649 1.00 0.00 N ATOM 1650 CA VAL A 121 -6.133 4.187 6.221 1.00 0.00 C ATOM 1651 C VAL A 121 -6.951 5.417 6.573 1.00 0.00 C ATOM 1652 O VAL A 121 -7.186 5.693 7.746 1.00 0.00 O ATOM 1653 CB VAL A 121 -6.759 2.940 6.889 1.00 0.00 C ATOM 1654 CG1 VAL A 121 -8.167 2.680 6.381 1.00 0.00 C ATOM 1655 CG2 VAL A 121 -5.897 1.724 6.647 1.00 0.00 C ATOM 0 H VAL A 121 -4.602 4.240 7.647 1.00 0.00 H new ATOM 0 HA VAL A 121 -6.136 4.032 5.142 1.00 0.00 H new ATOM 0 HB VAL A 121 -6.815 3.137 7.960 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -8.574 1.796 6.873 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -8.798 3.541 6.601 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -8.141 2.516 5.304 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.351 0.855 7.123 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.811 1.546 5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.905 1.891 7.068 1.00 0.00 H new ATOM 1665 N ASN A 122 -7.358 6.163 5.554 1.00 0.00 N ATOM 1666 CA ASN A 122 -8.091 7.417 5.743 1.00 0.00 C ATOM 1667 C ASN A 122 -7.289 8.378 6.616 1.00 0.00 C ATOM 1668 O ASN A 122 -7.843 9.088 7.457 1.00 0.00 O ATOM 1669 CB ASN A 122 -9.474 7.166 6.358 1.00 0.00 C ATOM 1670 CG ASN A 122 -10.296 6.183 5.548 1.00 0.00 C ATOM 1671 OD1 ASN A 122 -10.199 4.916 5.903 1.00 0.00 O flip ATOM 1672 ND2 ASN A 122 -11.011 6.563 4.620 1.00 0.00 N flip ATOM 0 H ASN A 122 -7.193 5.921 4.577 1.00 0.00 H new ATOM 0 HA ASN A 122 -8.236 7.870 4.762 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -9.354 6.786 7.373 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -10.012 8.111 6.433 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -11.054 7.554 4.382 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -11.560 5.887 4.090 1.00 0.00 H new ATOM 1678 N ARG A 123 -5.973 8.373 6.397 1.00 0.00 N ATOM 1679 CA ARG A 123 -5.026 9.235 7.107 1.00 0.00 C ATOM 1680 C ARG A 123 -4.707 8.750 8.524 1.00 0.00 C ATOM 1681 O ARG A 123 -3.941 9.403 9.232 1.00 0.00 O ATOM 1682 CB ARG A 123 -5.507 10.689 7.152 1.00 0.00 C ATOM 1683 CG ARG A 123 -5.278 11.451 5.857 1.00 0.00 C ATOM 1684 CD ARG A 123 -3.795 11.596 5.551 1.00 0.00 C ATOM 1685 NE ARG A 123 -3.057 12.178 6.673 1.00 0.00 N ATOM 1686 CZ ARG A 123 -2.328 13.290 6.591 1.00 0.00 C ATOM 1687 NH1 ARG A 123 -2.261 13.964 5.452 1.00 0.00 N ATOM 1688 NH2 ARG A 123 -1.673 13.724 7.657 1.00 0.00 N ATOM 0 H ARG A 123 -5.529 7.762 5.712 1.00 0.00 H new ATOM 0 HA ARG A 123 -4.103 9.182 6.530 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -6.571 10.703 7.387 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -4.994 11.207 7.963 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -5.771 10.931 5.036 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -5.734 12.438 5.929 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -3.377 10.618 5.311 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -3.667 12.223 4.669 1.00 0.00 H new ATOM 0 HE ARG A 123 -3.104 11.702 7.574 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -2.769 13.632 4.632 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -1.701 14.815 5.395 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -1.728 13.207 8.535 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -1.113 14.575 7.600 1.00 0.00 H new ATOM 1699 N GLU A 124 -5.262 7.621 8.949 1.00 0.00 N ATOM 1700 CA GLU A 124 -4.896 7.063 10.246 1.00 0.00 C ATOM 1701 C GLU A 124 -4.458 5.604 10.123 1.00 0.00 C ATOM 1702 O GLU A 124 -5.102 4.793 9.455 1.00 0.00 O ATOM 1703 CB GLU A 124 -6.031 7.205 11.271 1.00 0.00 C ATOM 1704 CG GLU A 124 -7.344 6.553 10.872 1.00 0.00 C ATOM 1705 CD GLU A 124 -8.379 6.613 11.984 1.00 0.00 C ATOM 1706 OE1 GLU A 124 -8.832 7.732 12.324 1.00 0.00 O ATOM 1707 OE2 GLU A 124 -8.730 5.545 12.538 1.00 0.00 O ATOM 0 H GLU A 124 -5.953 7.083 8.427 1.00 0.00 H new ATOM 0 HA GLU A 124 -4.047 7.642 10.611 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -5.702 6.774 12.217 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -6.209 8.266 11.449 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -7.738 7.048 9.985 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -7.163 5.512 10.603 1.00 0.00 H new ATOM 1712 N PRO A 125 -3.309 5.274 10.722 1.00 0.00 N ATOM 1713 CA PRO A 125 -2.813 3.903 10.795 1.00 0.00 C ATOM 1714 C PRO A 125 -3.728 3.028 11.645 1.00 0.00 C ATOM 1715 O PRO A 125 -4.021 3.359 12.794 1.00 0.00 O ATOM 1716 CB PRO A 125 -1.434 4.038 11.454 1.00 0.00 C ATOM 1717 CG PRO A 125 -1.083 5.482 11.333 1.00 0.00 C ATOM 1718 CD PRO A 125 -2.388 6.220 11.347 1.00 0.00 C ATOM 0 HA PRO A 125 -2.770 3.429 9.815 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -1.464 3.726 12.498 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -0.696 3.410 10.955 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -0.445 5.800 12.157 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -0.534 5.675 10.412 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -2.697 6.474 12.361 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -2.329 7.154 10.789 1.00 0.00 H new ATOM 1723 N VAL A 126 -4.177 1.918 11.078 1.00 0.00 N ATOM 1724 CA VAL A 126 -5.151 1.063 11.747 1.00 0.00 C ATOM 1725 C VAL A 126 -4.571 -0.306 12.068 1.00 0.00 C ATOM 1726 O VAL A 126 -3.519 -0.686 11.550 1.00 0.00 O ATOM 1727 CB VAL A 126 -6.421 0.859 10.889 1.00 0.00 C ATOM 1728 CG1 VAL A 126 -7.077 2.192 10.571 1.00 0.00 C ATOM 1729 CG2 VAL A 126 -6.090 0.093 9.611 1.00 0.00 C ATOM 0 H VAL A 126 -3.884 1.587 10.159 1.00 0.00 H new ATOM 0 HA VAL A 126 -5.413 1.577 12.672 1.00 0.00 H new ATOM 0 HB VAL A 126 -7.131 0.265 11.465 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -7.968 2.024 9.967 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -7.357 2.691 11.499 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -6.377 2.819 10.019 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -6.997 -0.040 9.021 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -5.358 0.654 9.030 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -5.678 -0.883 9.868 1.00 0.00 H new ATOM 1739 N ASP A 127 -5.262 -1.041 12.927 1.00 0.00 N ATOM 1740 CA ASP A 127 -4.928 -2.433 13.178 1.00 0.00 C ATOM 1741 C ASP A 127 -5.556 -3.299 12.098 1.00 0.00 C ATOM 1742 O ASP A 127 -4.884 -4.097 11.451 1.00 0.00 O ATOM 1743 CB ASP A 127 -5.430 -2.885 14.555 1.00 0.00 C ATOM 1744 CG ASP A 127 -4.683 -2.239 15.704 1.00 0.00 C ATOM 1745 OD1 ASP A 127 -3.616 -2.759 16.094 1.00 0.00 O ATOM 1746 OD2 ASP A 127 -5.170 -1.226 16.244 1.00 0.00 O ATOM 0 H ASP A 127 -6.058 -0.695 13.462 1.00 0.00 H new ATOM 0 HA ASP A 127 -3.843 -2.537 13.162 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -6.491 -2.651 14.643 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -5.335 -3.968 14.632 1.00 0.00 H new ATOM 1750 N SER A 128 -6.852 -3.106 11.906 1.00 0.00 N ATOM 1751 CA SER A 128 -7.619 -3.836 10.905 1.00 0.00 C ATOM 1752 C SER A 128 -8.906 -3.076 10.593 1.00 0.00 C ATOM 1753 O SER A 128 -9.935 -3.261 11.242 1.00 0.00 O ATOM 1754 CB SER A 128 -7.909 -5.252 11.410 1.00 0.00 C ATOM 1755 OG SER A 128 -8.465 -5.237 12.717 1.00 0.00 O ATOM 0 H SER A 128 -7.405 -2.436 12.441 1.00 0.00 H new ATOM 0 HA SER A 128 -7.045 -3.920 9.982 1.00 0.00 H new ATOM 0 HB2 SER A 128 -8.598 -5.749 10.727 1.00 0.00 H new ATOM 0 HB3 SER A 128 -6.987 -5.834 11.413 1.00 0.00 H new ATOM 0 HG SER A 128 -9.193 -4.582 12.756 1.00 0.00 H new ATOM 1760 N ALA A 129 -8.829 -2.208 9.593 1.00 0.00 N ATOM 1761 CA ALA A 129 -9.941 -1.329 9.257 1.00 0.00 C ATOM 1762 C ALA A 129 -10.917 -2.010 8.317 1.00 0.00 C ATOM 1763 O ALA A 129 -10.515 -2.752 7.420 1.00 0.00 O ATOM 1764 CB ALA A 129 -9.432 -0.041 8.631 1.00 0.00 C ATOM 0 H ALA A 129 -8.007 -2.094 9.000 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.466 -1.092 10.182 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -10.277 0.603 8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -8.776 0.471 9.335 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -8.877 -0.273 7.722 1.00 0.00 H new ATOM 1770 N VAL A 130 -12.198 -1.750 8.537 1.00 0.00 N ATOM 1771 CA VAL A 130 -13.252 -2.287 7.695 1.00 0.00 C ATOM 1772 C VAL A 130 -13.344 -1.486 6.403 1.00 0.00 C ATOM 1773 O VAL A 130 -13.490 -0.262 6.439 1.00 0.00 O ATOM 1774 CB VAL A 130 -14.622 -2.236 8.406 1.00 0.00 C ATOM 1775 CG1 VAL A 130 -15.692 -2.913 7.563 1.00 0.00 C ATOM 1776 CG2 VAL A 130 -14.542 -2.868 9.789 1.00 0.00 C ATOM 0 H VAL A 130 -12.533 -1.163 9.301 1.00 0.00 H new ATOM 0 HA VAL A 130 -13.004 -3.326 7.480 1.00 0.00 H new ATOM 0 HB VAL A 130 -14.899 -1.189 8.531 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -16.649 -2.865 8.083 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -15.775 -2.404 6.603 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -15.420 -3.956 7.398 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -15.520 -2.819 10.268 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -14.235 -3.910 9.696 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -13.814 -2.328 10.394 1.00 0.00 H new ATOM 1786 N LEU A 131 -13.233 -2.175 5.273 1.00 0.00 N ATOM 1787 CA LEU A 131 -13.383 -1.545 3.970 1.00 0.00 C ATOM 1788 C LEU A 131 -14.752 -0.898 3.813 1.00 0.00 C ATOM 1789 O LEU A 131 -15.721 -1.307 4.453 1.00 0.00 O ATOM 1790 CB LEU A 131 -13.186 -2.566 2.852 1.00 0.00 C ATOM 1791 CG LEU A 131 -11.754 -2.726 2.341 1.00 0.00 C ATOM 1792 CD1 LEU A 131 -10.998 -1.409 2.467 1.00 0.00 C ATOM 1793 CD2 LEU A 131 -11.024 -3.834 3.077 1.00 0.00 C ATOM 0 H LEU A 131 -13.039 -3.176 5.235 1.00 0.00 H new ATOM 0 HA LEU A 131 -12.619 -0.770 3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -13.536 -3.536 3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -13.822 -2.285 2.013 1.00 0.00 H new ATOM 0 HG LEU A 131 -11.801 -3.005 1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -9.980 -1.537 2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -11.502 -0.642 1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -10.970 -1.104 3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -10.009 -3.921 2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -10.987 -3.601 4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -11.551 -4.777 2.930 1.00 0.00 H new ATOM 1804 N ALA A 132 -14.833 0.085 2.926 1.00 0.00 N ATOM 1805 CA ALA A 132 -16.061 0.812 2.708 1.00 0.00 C ATOM 1806 C ALA A 132 -16.034 1.434 1.324 1.00 0.00 C ATOM 1807 O ALA A 132 -14.963 1.680 0.775 1.00 0.00 O ATOM 1808 CB ALA A 132 -16.244 1.879 3.778 1.00 0.00 C ATOM 0 H ALA A 132 -14.053 0.393 2.346 1.00 0.00 H new ATOM 0 HA ALA A 132 -16.906 0.126 2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -17.174 2.418 3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -16.281 1.407 4.760 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -15.408 2.577 3.742 1.00 0.00 H new ATOM 1814 N ASN A 133 -17.203 1.678 0.761 1.00 0.00 N ATOM 1815 CA ASN A 133 -17.299 2.179 -0.600 1.00 0.00 C ATOM 1816 C ASN A 133 -16.783 3.613 -0.666 1.00 0.00 C ATOM 1817 O ASN A 133 -17.496 4.557 -0.327 1.00 0.00 O ATOM 1818 CB ASN A 133 -18.747 2.098 -1.092 1.00 0.00 C ATOM 1819 CG ASN A 133 -18.876 2.419 -2.569 1.00 0.00 C ATOM 1820 OD1 ASN A 133 -18.736 1.538 -3.418 1.00 0.00 O ATOM 1821 ND2 ASN A 133 -19.163 3.671 -2.887 1.00 0.00 N ATOM 0 H ASN A 133 -18.101 1.538 1.225 1.00 0.00 H new ATOM 0 HA ASN A 133 -16.682 1.561 -1.252 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -19.135 1.097 -0.906 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -19.362 2.791 -0.518 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -19.276 3.935 -3.866 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -19.271 4.372 -2.154 1.00 0.00 H new ATOM 1827 N GLY A 134 -15.533 3.760 -1.096 1.00 0.00 N ATOM 1828 CA GLY A 134 -14.898 5.064 -1.118 1.00 0.00 C ATOM 1829 C GLY A 134 -13.797 5.180 -0.078 1.00 0.00 C ATOM 1830 O GLY A 134 -13.167 6.229 0.054 1.00 0.00 O ATOM 0 H GLY A 134 -14.947 2.995 -1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -14.482 5.247 -2.108 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -15.648 5.835 -0.940 1.00 0.00 H new ATOM 1834 N ASP A 135 -13.573 4.096 0.664 1.00 0.00 N ATOM 1835 CA ASP A 135 -12.505 4.041 1.666 1.00 0.00 C ATOM 1836 C ASP A 135 -11.148 4.039 0.976 1.00 0.00 C ATOM 1837 O ASP A 135 -11.025 3.528 -0.132 1.00 0.00 O ATOM 1838 CB ASP A 135 -12.655 2.785 2.527 1.00 0.00 C ATOM 1839 CG ASP A 135 -11.616 2.699 3.626 1.00 0.00 C ATOM 1840 OD1 ASP A 135 -10.530 2.146 3.377 1.00 0.00 O ATOM 1841 OD2 ASP A 135 -11.890 3.191 4.741 1.00 0.00 O ATOM 0 H ASP A 135 -14.120 3.238 0.590 1.00 0.00 H new ATOM 0 HA ASP A 135 -12.577 4.919 2.308 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -13.650 2.772 2.972 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -12.579 1.903 1.891 1.00 0.00 H new ATOM 1845 N GLU A 136 -10.142 4.607 1.622 1.00 0.00 N ATOM 1846 CA GLU A 136 -8.830 4.740 1.009 1.00 0.00 C ATOM 1847 C GLU A 136 -7.706 4.367 1.982 1.00 0.00 C ATOM 1848 O GLU A 136 -7.618 4.886 3.098 1.00 0.00 O ATOM 1849 CB GLU A 136 -8.669 6.162 0.459 1.00 0.00 C ATOM 1850 CG GLU A 136 -7.236 6.634 0.291 1.00 0.00 C ATOM 1851 CD GLU A 136 -7.161 8.110 -0.042 1.00 0.00 C ATOM 1852 OE1 GLU A 136 -7.359 8.473 -1.228 1.00 0.00 O ATOM 1853 OE2 GLU A 136 -6.926 8.918 0.880 1.00 0.00 O ATOM 0 H GLU A 136 -10.208 4.982 2.568 1.00 0.00 H new ATOM 0 HA GLU A 136 -8.754 4.036 0.180 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -9.169 6.219 -0.508 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -9.186 6.852 1.126 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -6.680 6.441 1.209 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -6.755 6.059 -0.500 1.00 0.00 H new ATOM 1858 N VAL A 137 -6.847 3.462 1.529 1.00 0.00 N ATOM 1859 CA VAL A 137 -5.739 2.948 2.331 1.00 0.00 C ATOM 1860 C VAL A 137 -4.430 3.177 1.596 1.00 0.00 C ATOM 1861 O VAL A 137 -4.331 2.911 0.406 1.00 0.00 O ATOM 1862 CB VAL A 137 -5.872 1.425 2.615 1.00 0.00 C ATOM 1863 CG1 VAL A 137 -4.761 0.932 3.544 1.00 0.00 C ATOM 1864 CG2 VAL A 137 -7.240 1.104 3.196 1.00 0.00 C ATOM 0 H VAL A 137 -6.898 3.061 0.592 1.00 0.00 H new ATOM 0 HA VAL A 137 -5.759 3.481 3.282 1.00 0.00 H new ATOM 0 HB VAL A 137 -5.768 0.900 1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -4.883 -0.136 3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.791 1.114 3.080 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -4.816 1.467 4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -7.312 0.033 3.387 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -7.376 1.649 4.130 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -8.014 1.399 2.488 1.00 0.00 H new ATOM 1874 N GLN A 138 -3.435 3.686 2.288 1.00 0.00 N ATOM 1875 CA GLN A 138 -2.107 3.785 1.714 1.00 0.00 C ATOM 1876 C GLN A 138 -1.308 2.558 2.117 1.00 0.00 C ATOM 1877 O GLN A 138 -1.260 2.196 3.295 1.00 0.00 O ATOM 1878 CB GLN A 138 -1.397 5.067 2.182 1.00 0.00 C ATOM 1879 CG GLN A 138 -0.110 5.389 1.419 1.00 0.00 C ATOM 1880 CD GLN A 138 1.055 4.484 1.754 1.00 0.00 C ATOM 1881 OE1 GLN A 138 1.171 3.973 2.864 1.00 0.00 O ATOM 1882 NE2 GLN A 138 1.930 4.286 0.789 1.00 0.00 N ATOM 0 H GLN A 138 -3.516 4.036 3.243 1.00 0.00 H new ATOM 0 HA GLN A 138 -2.188 3.833 0.628 1.00 0.00 H new ATOM 0 HB2 GLN A 138 -2.085 5.907 2.081 1.00 0.00 H new ATOM 0 HB3 GLN A 138 -1.163 4.972 3.242 1.00 0.00 H new ATOM 0 HG2 GLN A 138 -0.310 5.324 0.349 1.00 0.00 H new ATOM 0 HG3 GLN A 138 0.174 6.420 1.628 1.00 0.00 H new ATOM 0 HE21 GLN A 138 1.796 4.730 -0.120 1.00 0.00 H new ATOM 0 HE22 GLN A 138 2.741 3.689 0.951 1.00 0.00 H new ATOM 1889 N ILE A 139 -0.713 1.900 1.134 1.00 0.00 N ATOM 1890 CA ILE A 139 0.185 0.796 1.406 1.00 0.00 C ATOM 1891 C ILE A 139 1.431 0.928 0.564 1.00 0.00 C ATOM 1892 O ILE A 139 1.352 1.358 -0.585 1.00 0.00 O ATOM 1893 CB ILE A 139 -0.427 -0.602 1.132 1.00 0.00 C ATOM 1894 CG1 ILE A 139 0.036 -1.176 -0.202 1.00 0.00 C ATOM 1895 CG2 ILE A 139 -1.938 -0.585 1.177 1.00 0.00 C ATOM 1896 CD1 ILE A 139 -0.267 -2.643 -0.346 1.00 0.00 C ATOM 0 H ILE A 139 -0.837 2.113 0.144 1.00 0.00 H new ATOM 0 HA ILE A 139 0.404 0.856 2.472 1.00 0.00 H new ATOM 0 HB ILE A 139 -0.066 -1.245 1.934 1.00 0.00 H new ATOM 0 HG12 ILE A 139 -0.445 -0.630 -1.013 1.00 0.00 H new ATOM 0 HG13 ILE A 139 1.110 -1.020 -0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 139 -2.319 -1.587 0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 139 -2.269 -0.259 2.163 1.00 0.00 H new ATOM 0 HG23 ILE A 139 -2.317 0.103 0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 139 0.086 -2.994 -1.316 1.00 0.00 H new ATOM 0 HD12 ILE A 139 0.236 -3.198 0.446 1.00 0.00 H new ATOM 0 HD13 ILE A 139 -1.343 -2.801 -0.273 1.00 0.00 H new ATOM 1907 N GLY A 140 2.576 0.602 1.152 1.00 0.00 N ATOM 1908 CA GLY A 140 3.793 0.429 0.358 1.00 0.00 C ATOM 1909 C GLY A 140 4.375 1.738 -0.137 1.00 0.00 C ATOM 1910 O GLY A 140 5.467 2.117 0.262 1.00 0.00 O ATOM 0 H GLY A 140 2.691 0.454 2.155 1.00 0.00 H new ATOM 0 HA2 GLY A 140 4.540 -0.089 0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 140 3.573 -0.210 -0.497 1.00 0.00 H new ATOM 1914 N LYS A 141 3.664 2.389 -1.045 1.00 0.00 N ATOM 1915 CA LYS A 141 3.962 3.743 -1.473 1.00 0.00 C ATOM 1916 C LYS A 141 2.887 4.212 -2.457 1.00 0.00 C ATOM 1917 O LYS A 141 3.094 5.139 -3.224 1.00 0.00 O ATOM 1918 CB LYS A 141 5.374 3.833 -2.082 1.00 0.00 C ATOM 1919 CG LYS A 141 5.710 2.722 -3.060 1.00 0.00 C ATOM 1920 CD LYS A 141 7.189 2.696 -3.437 1.00 0.00 C ATOM 1921 CE LYS A 141 7.548 3.755 -4.463 1.00 0.00 C ATOM 1922 NZ LYS A 141 8.753 3.374 -5.250 1.00 0.00 N ATOM 0 H LYS A 141 2.852 1.984 -1.511 1.00 0.00 H new ATOM 0 HA LYS A 141 3.951 4.405 -0.607 1.00 0.00 H new ATOM 0 HB2 LYS A 141 5.476 4.791 -2.591 1.00 0.00 H new ATOM 0 HB3 LYS A 141 6.106 3.822 -1.274 1.00 0.00 H new ATOM 0 HG2 LYS A 141 5.434 1.763 -2.622 1.00 0.00 H new ATOM 0 HG3 LYS A 141 5.111 2.845 -3.963 1.00 0.00 H new ATOM 0 HD2 LYS A 141 7.791 2.845 -2.541 1.00 0.00 H new ATOM 0 HD3 LYS A 141 7.442 1.712 -3.832 1.00 0.00 H new ATOM 0 HE2 LYS A 141 6.706 3.908 -5.138 1.00 0.00 H new ATOM 0 HE3 LYS A 141 7.728 4.704 -3.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 8.967 4.122 -5.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 9.563 3.253 -4.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 8.572 2.481 -5.752 1.00 0.00 H new ATOM 1932 N PHE A 142 1.714 3.572 -2.375 1.00 0.00 N ATOM 1933 CA PHE A 142 0.629 3.746 -3.351 1.00 0.00 C ATOM 1934 C PHE A 142 -0.618 4.197 -2.604 1.00 0.00 C ATOM 1935 O PHE A 142 -0.706 4.013 -1.389 1.00 0.00 O ATOM 1936 CB PHE A 142 0.301 2.413 -4.077 1.00 0.00 C ATOM 1937 CG PHE A 142 1.497 1.544 -4.339 1.00 0.00 C ATOM 1938 CD1 PHE A 142 2.291 1.134 -3.293 1.00 0.00 C ATOM 1939 CD2 PHE A 142 1.822 1.135 -5.616 1.00 0.00 C ATOM 1940 CE1 PHE A 142 3.391 0.346 -3.498 1.00 0.00 C ATOM 1941 CE2 PHE A 142 2.929 0.340 -5.834 1.00 0.00 C ATOM 1942 CZ PHE A 142 3.714 -0.054 -4.774 1.00 0.00 C ATOM 0 H PHE A 142 1.489 2.916 -1.627 1.00 0.00 H new ATOM 0 HA PHE A 142 0.944 4.480 -4.093 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -0.417 1.853 -3.477 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -0.185 2.639 -5.026 1.00 0.00 H new ATOM 0 HD1 PHE A 142 2.041 1.441 -2.288 1.00 0.00 H new ATOM 0 HD2 PHE A 142 1.207 1.439 -6.450 1.00 0.00 H new ATOM 0 HE1 PHE A 142 4.002 0.040 -2.662 1.00 0.00 H new ATOM 0 HE2 PHE A 142 3.180 0.027 -6.837 1.00 0.00 H new ATOM 0 HZ PHE A 142 4.581 -0.675 -4.944 1.00 0.00 H new ATOM 1951 N ARG A 143 -1.583 4.756 -3.311 1.00 0.00 N ATOM 1952 CA ARG A 143 -2.832 5.149 -2.684 1.00 0.00 C ATOM 1953 C ARG A 143 -3.976 4.277 -3.185 1.00 0.00 C ATOM 1954 O ARG A 143 -4.266 4.246 -4.383 1.00 0.00 O ATOM 1955 CB ARG A 143 -3.124 6.614 -2.963 1.00 0.00 C ATOM 1956 CG ARG A 143 -4.252 7.155 -2.118 1.00 0.00 C ATOM 1957 CD ARG A 143 -4.391 8.658 -2.254 1.00 0.00 C ATOM 1958 NE ARG A 143 -4.301 9.114 -3.634 1.00 0.00 N ATOM 1959 CZ ARG A 143 -5.344 9.516 -4.346 1.00 0.00 C ATOM 1960 NH1 ARG A 143 -6.574 9.428 -3.839 1.00 0.00 N ATOM 1961 NH2 ARG A 143 -5.158 10.001 -5.570 1.00 0.00 N ATOM 0 H ARG A 143 -1.528 4.947 -4.311 1.00 0.00 H new ATOM 0 HA ARG A 143 -2.737 5.011 -1.607 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -2.224 7.201 -2.779 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -3.374 6.736 -4.017 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -5.186 6.676 -2.411 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -4.077 6.900 -1.073 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -5.349 8.968 -1.836 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -3.614 9.144 -1.665 1.00 0.00 H new ATOM 0 HE ARG A 143 -3.383 9.125 -4.078 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -6.713 9.051 -2.902 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -7.375 9.738 -4.388 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -4.216 10.062 -5.957 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -5.957 10.312 -6.122 1.00 0.00 H new ATOM 1972 N LEU A 144 -4.615 3.567 -2.265 1.00 0.00 N ATOM 1973 CA LEU A 144 -5.664 2.615 -2.608 1.00 0.00 C ATOM 1974 C LEU A 144 -7.028 3.113 -2.171 1.00 0.00 C ATOM 1975 O LEU A 144 -7.136 3.902 -1.245 1.00 0.00 O ATOM 1976 CB LEU A 144 -5.420 1.260 -1.936 1.00 0.00 C ATOM 1977 CG LEU A 144 -4.142 0.524 -2.330 1.00 0.00 C ATOM 1978 CD1 LEU A 144 -2.913 1.151 -1.695 1.00 0.00 C ATOM 1979 CD2 LEU A 144 -4.255 -0.932 -1.938 1.00 0.00 C ATOM 0 H LEU A 144 -4.423 3.634 -1.265 1.00 0.00 H new ATOM 0 HA LEU A 144 -5.641 2.506 -3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -5.407 1.412 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -6.268 0.612 -2.157 1.00 0.00 H new ATOM 0 HG LEU A 144 -4.023 0.602 -3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -2.024 0.599 -2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -2.825 2.188 -2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -3.007 1.117 -0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -3.342 -1.457 -2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -4.400 -1.008 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -5.105 -1.382 -2.451 1.00 0.00 H new ATOM 1990 N VAL A 145 -8.058 2.649 -2.854 1.00 0.00 N ATOM 1991 CA VAL A 145 -9.430 2.889 -2.445 1.00 0.00 C ATOM 1992 C VAL A 145 -10.277 1.644 -2.690 1.00 0.00 C ATOM 1993 O VAL A 145 -10.136 0.973 -3.707 1.00 0.00 O ATOM 1994 CB VAL A 145 -10.060 4.113 -3.162 1.00 0.00 C ATOM 1995 CG1 VAL A 145 -9.246 4.515 -4.373 1.00 0.00 C ATOM 1996 CG2 VAL A 145 -11.499 3.825 -3.560 1.00 0.00 C ATOM 0 H VAL A 145 -7.968 2.096 -3.706 1.00 0.00 H new ATOM 0 HA VAL A 145 -9.411 3.116 -1.379 1.00 0.00 H new ATOM 0 HB VAL A 145 -10.057 4.947 -2.460 1.00 0.00 H new ATOM 0 HG11 VAL A 145 -9.711 5.375 -4.855 1.00 0.00 H new ATOM 0 HG12 VAL A 145 -8.235 4.777 -4.061 1.00 0.00 H new ATOM 0 HG13 VAL A 145 -9.205 3.683 -5.076 1.00 0.00 H new ATOM 0 HG21 VAL A 145 -11.920 4.697 -4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 145 -11.525 2.970 -4.236 1.00 0.00 H new ATOM 0 HG23 VAL A 145 -12.085 3.601 -2.669 1.00 0.00 H new ATOM 2006 N PHE A 146 -11.160 1.352 -1.756 1.00 0.00 N ATOM 2007 CA PHE A 146 -12.001 0.167 -1.834 1.00 0.00 C ATOM 2008 C PHE A 146 -13.382 0.490 -2.376 1.00 0.00 C ATOM 2009 O PHE A 146 -13.986 1.496 -2.002 1.00 0.00 O ATOM 2010 CB PHE A 146 -12.144 -0.468 -0.455 1.00 0.00 C ATOM 2011 CG PHE A 146 -13.223 -1.513 -0.372 1.00 0.00 C ATOM 2012 CD1 PHE A 146 -12.973 -2.820 -0.730 1.00 0.00 C ATOM 2013 CD2 PHE A 146 -14.491 -1.181 0.075 1.00 0.00 C ATOM 2014 CE1 PHE A 146 -13.966 -3.774 -0.645 1.00 0.00 C ATOM 2015 CE2 PHE A 146 -15.485 -2.130 0.164 1.00 0.00 C ATOM 2016 CZ PHE A 146 -15.223 -3.430 -0.196 1.00 0.00 C ATOM 0 H PHE A 146 -11.317 1.923 -0.926 1.00 0.00 H new ATOM 0 HA PHE A 146 -11.516 -0.529 -2.519 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -11.193 -0.920 -0.174 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -12.353 0.315 0.274 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -11.991 -3.100 -1.080 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -14.704 -0.161 0.359 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -13.758 -4.794 -0.931 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -16.468 -1.853 0.516 1.00 0.00 H new ATOM 0 HZ PHE A 146 -15.998 -4.179 -0.127 1.00 0.00 H new ATOM 2025 N LEU A 147 -13.881 -0.384 -3.242 1.00 0.00 N ATOM 2026 CA LEU A 147 -15.249 -0.297 -3.722 1.00 0.00 C ATOM 2027 C LEU A 147 -15.941 -1.647 -3.594 1.00 0.00 C ATOM 2028 O LEU A 147 -15.289 -2.696 -3.566 1.00 0.00 O ATOM 2029 CB LEU A 147 -15.323 0.183 -5.179 1.00 0.00 C ATOM 2030 CG LEU A 147 -14.984 1.658 -5.413 1.00 0.00 C ATOM 2031 CD1 LEU A 147 -15.553 2.523 -4.295 1.00 0.00 C ATOM 2032 CD2 LEU A 147 -13.483 1.858 -5.549 1.00 0.00 C ATOM 0 H LEU A 147 -13.351 -1.166 -3.627 1.00 0.00 H new ATOM 0 HA LEU A 147 -15.759 0.440 -3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -14.645 -0.425 -5.777 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -16.330 -0.002 -5.552 1.00 0.00 H new ATOM 0 HG LEU A 147 -15.446 1.968 -6.350 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -15.302 3.567 -4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -16.637 2.411 -4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -15.128 2.210 -3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -13.270 2.914 -5.714 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -12.988 1.527 -4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -13.114 1.277 -6.394 1.00 0.00 H new