USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=16 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= -0.967 F(o=-10!,f=-1.4) USER MOD Set 1.2: A 138 GLN : amide:sc= -0.434 K(o=-1.4,f=-8.3!) USER MOD Set 2.1: A 98 HIS : no HE2:sc= -8.76! C(o=-6.6!,f=-14!) USER MOD Set 2.2: A 119 THR OG1 : rot 174:sc= 2.12 USER MOD Set 3.1: A 65 ASN :FLIP amide:sc= -0.974 F(o=-2.3,f=-0.88) USER MOD Set 3.2: A 68 SER OG : rot -136:sc= 0.0894 USER MOD Single : A 23 SER OG : rot 29:sc= 0.229 USER MOD Single : A 55 SER OG : rot -160:sc= -0.251 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0.363 K(o=0.36,f=-0.72) USER MOD Single : A 77 THR OG1 : rot 120:sc= -0.484 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS :FLIP no HE2:sc= -9.51! C(o=-11!,f=-9.5!) USER MOD Single : A 93 THR OG1 : rot -141:sc= 0.548! USER MOD Single : A 95 SER OG : rot 180:sc= -0.0475 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 106 ASN : amide:sc= -0.84 X(o=-0.84,f=-1.1) USER MOD Single : A 109 ASN : amide:sc= -6.07! C(o=-6.1!,f=-7.3!) USER MOD Single : A 115 SER OG : rot -137:sc= 1.18 USER MOD Single : A 120 TYR OH : rot -75:sc= 0.0066 USER MOD Single : A 122 ASN : amide:sc= -0.522 X(o=-0.52,f=-0.45) USER MOD Single : A 128 SER OG : rot 42:sc= 0.229 USER MOD Single : A 133 ASN : amide:sc= -0.354 K(o=-0.35,f=-2) USER MOD Single : A 141 LYS NZ :NH3+ 173:sc= 0.182 (180deg=0.166) USER MOD ----------------------------------------------------------------- ATOM 305 N SER A 23 12.905 -1.577 -2.172 1.00 0.00 N ATOM 306 CA SER A 23 12.763 -0.401 -3.065 1.00 0.00 C ATOM 307 C SER A 23 11.503 0.436 -2.835 1.00 0.00 C ATOM 308 O SER A 23 10.447 0.176 -3.415 1.00 0.00 O ATOM 309 CB SER A 23 12.758 -0.893 -4.498 1.00 0.00 C ATOM 310 OG SER A 23 13.866 -1.746 -4.744 1.00 0.00 O ATOM 0 HA SER A 23 13.604 0.255 -2.842 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.830 -1.428 -4.700 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.790 -0.043 -5.179 1.00 0.00 H new ATOM 0 HG SER A 23 14.122 -2.198 -3.913 1.00 0.00 H new ATOM 315 N VAL A 24 11.627 1.483 -2.042 1.00 0.00 N ATOM 316 CA VAL A 24 10.468 2.248 -1.649 1.00 0.00 C ATOM 317 C VAL A 24 10.686 3.750 -1.841 1.00 0.00 C ATOM 318 O VAL A 24 11.827 4.224 -1.810 1.00 0.00 O ATOM 319 CB VAL A 24 10.128 1.921 -0.197 1.00 0.00 C ATOM 320 CG1 VAL A 24 11.135 2.544 0.758 1.00 0.00 C ATOM 321 CG2 VAL A 24 8.715 2.341 0.133 1.00 0.00 C ATOM 0 H VAL A 24 12.512 1.818 -1.662 1.00 0.00 H new ATOM 0 HA VAL A 24 9.630 1.973 -2.290 1.00 0.00 H new ATOM 0 HB VAL A 24 10.189 0.840 -0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.866 2.294 1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.131 2.158 0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.130 3.627 0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.497 2.098 1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.610 3.415 -0.018 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.017 1.813 -0.517 1.00 0.00 H new ATOM 331 N PHE A 25 9.584 4.486 -2.036 1.00 0.00 N ATOM 332 CA PHE A 25 9.639 5.904 -2.382 1.00 0.00 C ATOM 333 C PHE A 25 8.206 6.439 -2.559 1.00 0.00 C ATOM 334 O PHE A 25 7.290 5.782 -2.117 1.00 0.00 O ATOM 335 CB PHE A 25 10.454 6.051 -3.674 1.00 0.00 C ATOM 336 CG PHE A 25 10.844 7.453 -4.038 1.00 0.00 C ATOM 337 CD1 PHE A 25 11.693 8.189 -3.228 1.00 0.00 C ATOM 338 CD2 PHE A 25 10.360 8.029 -5.200 1.00 0.00 C ATOM 339 CE1 PHE A 25 12.053 9.478 -3.572 1.00 0.00 C ATOM 340 CE2 PHE A 25 10.717 9.316 -5.550 1.00 0.00 C ATOM 341 CZ PHE A 25 11.564 10.042 -4.735 1.00 0.00 C ATOM 0 H PHE A 25 8.637 4.114 -1.958 1.00 0.00 H new ATOM 0 HA PHE A 25 10.118 6.483 -1.592 1.00 0.00 H new ATOM 0 HB2 PHE A 25 11.361 5.453 -3.580 1.00 0.00 H new ATOM 0 HB3 PHE A 25 9.877 5.628 -4.496 1.00 0.00 H new ATOM 0 HD1 PHE A 25 12.077 7.751 -2.319 1.00 0.00 H new ATOM 0 HD2 PHE A 25 9.696 7.466 -5.839 1.00 0.00 H new ATOM 0 HE1 PHE A 25 12.715 10.044 -2.933 1.00 0.00 H new ATOM 0 HE2 PHE A 25 10.335 9.755 -6.460 1.00 0.00 H new ATOM 0 HZ PHE A 25 11.844 11.049 -5.006 1.00 0.00 H new ATOM 350 N ARG A 26 8.020 7.615 -3.197 1.00 0.00 N ATOM 351 CA ARG A 26 6.678 8.211 -3.429 1.00 0.00 C ATOM 352 C ARG A 26 5.863 8.259 -2.134 1.00 0.00 C ATOM 353 O ARG A 26 5.967 9.227 -1.376 1.00 0.00 O ATOM 354 CB ARG A 26 5.929 7.467 -4.575 1.00 0.00 C ATOM 355 CG ARG A 26 4.385 7.492 -4.538 1.00 0.00 C ATOM 356 CD ARG A 26 3.749 8.822 -4.875 1.00 0.00 C ATOM 357 NE ARG A 26 2.288 8.703 -4.761 1.00 0.00 N ATOM 358 CZ ARG A 26 1.455 8.708 -5.798 1.00 0.00 C ATOM 359 NH1 ARG A 26 1.905 8.934 -7.027 1.00 0.00 N ATOM 360 NH2 ARG A 26 0.164 8.485 -5.596 1.00 0.00 N ATOM 0 H ARG A 26 8.787 8.178 -3.565 1.00 0.00 H new ATOM 0 HA ARG A 26 6.812 9.243 -3.754 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.252 7.895 -5.524 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.251 6.426 -4.569 1.00 0.00 H new ATOM 0 HG2 ARG A 26 4.010 6.742 -5.235 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.058 7.194 -3.542 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.116 9.595 -4.201 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.023 9.124 -5.886 1.00 0.00 H new ATOM 0 HE ARG A 26 1.888 8.611 -3.827 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.898 9.106 -7.183 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.257 8.936 -7.815 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.182 8.312 -4.652 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.483 8.487 -6.384 1.00 0.00 H new ATOM 707 N SER A 55 -17.542 -10.928 -4.212 1.00 0.00 N ATOM 708 CA SER A 55 -16.221 -10.352 -4.072 1.00 0.00 C ATOM 709 C SER A 55 -16.326 -8.846 -3.868 1.00 0.00 C ATOM 710 O SER A 55 -17.274 -8.208 -4.332 1.00 0.00 O ATOM 711 CB SER A 55 -15.376 -10.644 -5.317 1.00 0.00 C ATOM 712 OG SER A 55 -14.044 -10.190 -5.150 1.00 0.00 O ATOM 0 HA SER A 55 -15.739 -10.801 -3.203 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.375 -11.716 -5.516 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.822 -10.159 -6.185 1.00 0.00 H new ATOM 0 HG SER A 55 -13.620 -10.091 -6.028 1.00 0.00 H new ATOM 717 N ALA A 56 -15.365 -8.303 -3.150 1.00 0.00 N ATOM 718 CA ALA A 56 -15.194 -6.868 -3.028 1.00 0.00 C ATOM 719 C ALA A 56 -13.729 -6.573 -3.285 1.00 0.00 C ATOM 720 O ALA A 56 -12.931 -7.510 -3.355 1.00 0.00 O ATOM 721 CB ALA A 56 -15.630 -6.387 -1.654 1.00 0.00 C ATOM 0 H ALA A 56 -14.676 -8.847 -2.631 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.816 -6.338 -3.749 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -15.493 -5.308 -1.586 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -16.682 -6.629 -1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -15.029 -6.878 -0.889 1.00 0.00 H new ATOM 727 N LEU A 57 -13.346 -5.316 -3.451 1.00 0.00 N ATOM 728 CA LEU A 57 -11.954 -5.041 -3.762 1.00 0.00 C ATOM 729 C LEU A 57 -11.460 -3.678 -3.306 1.00 0.00 C ATOM 730 O LEU A 57 -12.138 -2.658 -3.448 1.00 0.00 O ATOM 731 CB LEU A 57 -11.689 -5.252 -5.263 1.00 0.00 C ATOM 732 CG LEU A 57 -12.783 -4.764 -6.229 1.00 0.00 C ATOM 733 CD1 LEU A 57 -12.833 -3.248 -6.307 1.00 0.00 C ATOM 734 CD2 LEU A 57 -12.571 -5.355 -7.614 1.00 0.00 C ATOM 0 H LEU A 57 -13.953 -4.500 -3.379 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.374 -5.759 -3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.758 -4.747 -5.519 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -11.532 -6.317 -5.435 1.00 0.00 H new ATOM 0 HG LEU A 57 -13.741 -5.107 -5.837 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.618 -2.945 -6.999 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -13.043 -2.840 -5.319 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.873 -2.870 -6.659 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -13.353 -5.000 -8.285 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.598 -5.047 -7.996 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.610 -6.443 -7.555 1.00 0.00 H new ATOM 745 N LEU A 58 -10.283 -3.694 -2.692 1.00 0.00 N ATOM 746 CA LEU A 58 -9.494 -2.466 -2.533 1.00 0.00 C ATOM 747 C LEU A 58 -8.619 -2.291 -3.754 1.00 0.00 C ATOM 748 O LEU A 58 -7.876 -3.196 -4.092 1.00 0.00 O ATOM 749 CB LEU A 58 -8.568 -2.509 -1.319 1.00 0.00 C ATOM 750 CG LEU A 58 -9.202 -2.745 0.037 1.00 0.00 C ATOM 751 CD1 LEU A 58 -9.594 -4.193 0.179 1.00 0.00 C ATOM 752 CD2 LEU A 58 -8.227 -2.347 1.127 1.00 0.00 C ATOM 0 H LEU A 58 -9.853 -4.531 -2.298 1.00 0.00 H new ATOM 0 HA LEU A 58 -10.202 -1.648 -2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.830 -3.294 -1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.025 -1.565 -1.277 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.101 -2.136 0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.049 -4.353 1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.309 -4.454 -0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.708 -4.821 0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.683 -2.517 2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.321 -2.946 1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.976 -1.292 1.023 1.00 0.00 H new ATOM 763 N VAL A 59 -8.685 -1.147 -4.403 1.00 0.00 N ATOM 764 CA VAL A 59 -7.891 -0.919 -5.602 1.00 0.00 C ATOM 765 C VAL A 59 -6.964 0.286 -5.414 1.00 0.00 C ATOM 766 O VAL A 59 -7.392 1.328 -4.924 1.00 0.00 O ATOM 767 CB VAL A 59 -8.803 -0.678 -6.835 1.00 0.00 C ATOM 768 CG1 VAL A 59 -7.991 -0.330 -8.077 1.00 0.00 C ATOM 769 CG2 VAL A 59 -9.676 -1.894 -7.098 1.00 0.00 C ATOM 0 H VAL A 59 -9.275 -0.362 -4.126 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.291 -1.812 -5.775 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.443 0.175 -6.608 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.665 -0.169 -8.919 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.416 0.578 -7.893 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.311 -1.150 -8.309 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.309 -1.707 -7.966 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.044 -2.761 -7.290 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.303 -2.087 -6.227 1.00 0.00 H new ATOM 779 N VAL A 60 -5.694 0.143 -5.788 1.00 0.00 N ATOM 780 CA VAL A 60 -4.762 1.254 -5.714 1.00 0.00 C ATOM 781 C VAL A 60 -5.008 2.180 -6.899 1.00 0.00 C ATOM 782 O VAL A 60 -4.930 1.743 -8.063 1.00 0.00 O ATOM 783 CB VAL A 60 -3.273 0.788 -5.648 1.00 0.00 C ATOM 784 CG1 VAL A 60 -3.189 -0.652 -5.189 1.00 0.00 C ATOM 785 CG2 VAL A 60 -2.542 0.951 -6.956 1.00 0.00 C ATOM 0 H VAL A 60 -5.294 -0.726 -6.142 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.940 1.793 -4.784 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.781 1.438 -4.924 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.144 -0.961 -5.149 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.633 -0.744 -4.198 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.729 -1.289 -5.889 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.513 0.609 -6.843 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.038 0.360 -7.726 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.545 2.002 -7.246 1.00 0.00 H new ATOM 795 N LYS A 61 -5.355 3.430 -6.579 1.00 0.00 N ATOM 796 CA LYS A 61 -5.745 4.433 -7.567 1.00 0.00 C ATOM 797 C LYS A 61 -4.697 4.587 -8.652 1.00 0.00 C ATOM 798 O LYS A 61 -4.803 4.029 -9.747 1.00 0.00 O ATOM 799 CB LYS A 61 -5.916 5.802 -6.904 1.00 0.00 C ATOM 800 CG LYS A 61 -7.190 5.980 -6.106 1.00 0.00 C ATOM 801 CD LYS A 61 -7.131 7.249 -5.267 1.00 0.00 C ATOM 802 CE LYS A 61 -6.852 8.480 -6.117 1.00 0.00 C ATOM 803 NZ LYS A 61 -8.014 8.855 -6.965 1.00 0.00 N ATOM 0 H LYS A 61 -5.372 3.774 -5.619 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.683 4.090 -8.004 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.066 5.976 -6.244 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.881 6.569 -7.678 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.044 6.025 -6.782 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.342 5.117 -5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.076 7.379 -4.739 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.354 7.147 -4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.594 9.316 -5.467 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.987 8.291 -6.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.777 9.698 -7.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.245 8.068 -7.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.834 9.061 -6.359 1.00 0.00 H new ATOM 813 N ARG A 62 -3.676 5.353 -8.312 1.00 0.00 N ATOM 814 CA ARG A 62 -2.642 5.713 -9.247 1.00 0.00 C ATOM 815 C ARG A 62 -1.415 6.194 -8.489 1.00 0.00 C ATOM 816 O ARG A 62 -1.210 7.390 -8.298 1.00 0.00 O ATOM 817 CB ARG A 62 -3.154 6.798 -10.186 1.00 0.00 C ATOM 818 CG ARG A 62 -2.466 6.792 -11.532 1.00 0.00 C ATOM 819 CD ARG A 62 -3.005 7.887 -12.428 1.00 0.00 C ATOM 820 NE ARG A 62 -2.519 7.764 -13.797 1.00 0.00 N ATOM 821 CZ ARG A 62 -2.784 8.647 -14.754 1.00 0.00 C ATOM 822 NH1 ARG A 62 -3.526 9.716 -14.493 1.00 0.00 N ATOM 823 NH2 ARG A 62 -2.313 8.463 -15.978 1.00 0.00 N ATOM 0 H ARG A 62 -3.546 5.740 -7.377 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.366 4.842 -9.842 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.226 6.667 -10.332 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.013 7.772 -9.717 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.393 6.926 -11.395 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.608 5.823 -12.011 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.094 7.853 -12.426 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.716 8.858 -12.027 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.944 6.955 -14.033 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.896 9.863 -13.554 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.726 10.391 -15.231 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.745 7.642 -16.188 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.518 9.142 -16.711 1.00 0.00 H new ATOM 834 N GLY A 63 -0.626 5.247 -8.016 1.00 0.00 N ATOM 835 CA GLY A 63 0.612 5.574 -7.379 1.00 0.00 C ATOM 836 C GLY A 63 1.757 5.096 -8.226 1.00 0.00 C ATOM 837 O GLY A 63 1.670 5.135 -9.453 1.00 0.00 O ATOM 0 H GLY A 63 -0.830 4.249 -8.066 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.682 6.651 -7.230 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.658 5.112 -6.393 1.00 0.00 H new ATOM 841 N PRO A 64 2.838 4.626 -7.611 1.00 0.00 N ATOM 842 CA PRO A 64 3.975 4.090 -8.343 1.00 0.00 C ATOM 843 C PRO A 64 3.605 2.925 -9.247 1.00 0.00 C ATOM 844 O PRO A 64 3.685 3.035 -10.472 1.00 0.00 O ATOM 845 CB PRO A 64 4.949 3.653 -7.254 1.00 0.00 C ATOM 846 CG PRO A 64 4.558 4.449 -6.071 1.00 0.00 C ATOM 847 CD PRO A 64 3.072 4.637 -6.169 1.00 0.00 C ATOM 0 HA PRO A 64 4.395 4.834 -9.020 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.871 2.584 -7.057 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.982 3.850 -7.542 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.826 3.934 -5.149 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.073 5.410 -6.060 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.529 3.837 -5.665 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.752 5.575 -5.715 1.00 0.00 H new ATOM 852 N ASN A 65 3.200 1.813 -8.646 1.00 0.00 N ATOM 853 CA ASN A 65 2.705 0.683 -9.427 1.00 0.00 C ATOM 854 C ASN A 65 1.386 1.068 -10.028 1.00 0.00 C ATOM 855 O ASN A 65 1.180 1.008 -11.240 1.00 0.00 O ATOM 856 CB ASN A 65 2.480 -0.535 -8.549 1.00 0.00 C ATOM 857 CG ASN A 65 2.400 -1.829 -9.337 1.00 0.00 C ATOM 858 OD1 ASN A 65 1.596 -2.768 -8.856 1.00 0.00 O flip ATOM 859 ND2 ASN A 65 3.044 -1.981 -10.372 1.00 0.00 N flip ATOM 0 H ASN A 65 3.203 1.668 -7.636 1.00 0.00 H new ATOM 0 HA ASN A 65 3.443 0.438 -10.191 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.290 -0.608 -7.824 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.557 -0.403 -7.984 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.652 -1.234 -10.709 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.971 -2.854 -10.894 1.00 0.00 H new ATOM 865 N ALA A 66 0.523 1.521 -9.137 1.00 0.00 N ATOM 866 CA ALA A 66 -0.868 1.851 -9.463 1.00 0.00 C ATOM 867 C ALA A 66 -1.631 0.685 -10.122 1.00 0.00 C ATOM 868 O ALA A 66 -1.047 -0.322 -10.525 1.00 0.00 O ATOM 869 CB ALA A 66 -0.929 3.081 -10.357 1.00 0.00 C ATOM 0 H ALA A 66 0.761 1.674 -8.157 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.363 2.058 -8.514 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.969 3.311 -10.589 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.476 3.928 -9.842 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.386 2.886 -11.282 1.00 0.00 H new ATOM 875 N GLY A 67 -2.959 0.809 -10.183 1.00 0.00 N ATOM 876 CA GLY A 67 -3.751 -0.158 -10.922 1.00 0.00 C ATOM 877 C GLY A 67 -4.011 -1.437 -10.148 1.00 0.00 C ATOM 878 O GLY A 67 -4.610 -2.373 -10.675 1.00 0.00 O ATOM 0 H GLY A 67 -3.493 1.555 -9.738 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.705 0.295 -11.193 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.238 -0.402 -11.852 1.00 0.00 H new ATOM 882 N SER A 68 -3.558 -1.495 -8.904 1.00 0.00 N ATOM 883 CA SER A 68 -3.522 -2.773 -8.191 1.00 0.00 C ATOM 884 C SER A 68 -4.759 -2.933 -7.314 1.00 0.00 C ATOM 885 O SER A 68 -5.575 -2.028 -7.245 1.00 0.00 O ATOM 886 CB SER A 68 -2.244 -2.874 -7.364 1.00 0.00 C ATOM 887 OG SER A 68 -1.122 -2.435 -8.112 1.00 0.00 O ATOM 0 H SER A 68 -3.216 -0.694 -8.373 1.00 0.00 H new ATOM 0 HA SER A 68 -3.524 -3.584 -8.919 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.342 -2.272 -6.461 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.093 -3.905 -7.045 1.00 0.00 H new ATOM 0 HG SER A 68 -0.375 -3.054 -7.975 1.00 0.00 H new ATOM 892 N ARG A 69 -4.897 -4.073 -6.639 1.00 0.00 N ATOM 893 CA ARG A 69 -6.119 -4.364 -5.891 1.00 0.00 C ATOM 894 C ARG A 69 -5.935 -5.541 -4.939 1.00 0.00 C ATOM 895 O ARG A 69 -5.099 -6.404 -5.186 1.00 0.00 O ATOM 896 CB ARG A 69 -7.277 -4.659 -6.867 1.00 0.00 C ATOM 897 CG ARG A 69 -6.869 -5.462 -8.105 1.00 0.00 C ATOM 898 CD ARG A 69 -6.448 -6.886 -7.771 1.00 0.00 C ATOM 899 NE ARG A 69 -5.572 -7.449 -8.795 1.00 0.00 N ATOM 900 CZ ARG A 69 -5.537 -8.743 -9.126 1.00 0.00 C ATOM 901 NH1 ARG A 69 -6.419 -9.592 -8.606 1.00 0.00 N ATOM 902 NH2 ARG A 69 -4.651 -9.179 -10.013 1.00 0.00 N ATOM 0 H ARG A 69 -4.186 -4.803 -6.594 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.356 -3.484 -5.292 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -8.055 -5.205 -6.334 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.715 -3.714 -7.189 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.703 -5.489 -8.806 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.047 -4.953 -8.608 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.936 -6.897 -6.809 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -7.334 -7.512 -7.667 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.946 -6.813 -9.290 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.126 -9.256 -7.952 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.389 -10.579 -8.861 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.996 -8.526 -10.443 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.625 -10.167 -10.265 1.00 0.00 H new ATOM 913 N PHE A 70 -6.714 -5.579 -3.854 1.00 0.00 N ATOM 914 CA PHE A 70 -6.799 -6.778 -3.050 1.00 0.00 C ATOM 915 C PHE A 70 -8.016 -7.519 -3.546 1.00 0.00 C ATOM 916 O PHE A 70 -9.115 -6.949 -3.561 1.00 0.00 O ATOM 917 CB PHE A 70 -7.000 -6.545 -1.522 1.00 0.00 C ATOM 918 CG PHE A 70 -6.191 -5.471 -0.850 1.00 0.00 C ATOM 919 CD1 PHE A 70 -5.749 -4.354 -1.522 1.00 0.00 C ATOM 920 CD2 PHE A 70 -5.909 -5.585 0.501 1.00 0.00 C ATOM 921 CE1 PHE A 70 -5.037 -3.378 -0.869 1.00 0.00 C ATOM 922 CE2 PHE A 70 -5.194 -4.610 1.160 1.00 0.00 C ATOM 923 CZ PHE A 70 -4.757 -3.501 0.473 1.00 0.00 C ATOM 0 H PHE A 70 -7.283 -4.800 -3.524 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.851 -7.305 -3.153 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.054 -6.320 -1.356 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.791 -7.486 -1.012 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.965 -4.244 -2.575 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.255 -6.451 1.046 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.695 -2.509 -1.411 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.977 -4.716 2.213 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.197 -2.731 0.984 1.00 0.00 H new ATOM 932 N LEU A 71 -7.827 -8.756 -3.971 1.00 0.00 N ATOM 933 CA LEU A 71 -8.925 -9.553 -4.465 1.00 0.00 C ATOM 934 C LEU A 71 -9.652 -10.189 -3.298 1.00 0.00 C ATOM 935 O LEU A 71 -9.272 -11.241 -2.808 1.00 0.00 O ATOM 936 CB LEU A 71 -8.418 -10.612 -5.455 1.00 0.00 C ATOM 937 CG LEU A 71 -9.403 -11.730 -5.792 1.00 0.00 C ATOM 938 CD1 LEU A 71 -9.399 -12.021 -7.280 1.00 0.00 C ATOM 939 CD2 LEU A 71 -9.054 -12.985 -5.009 1.00 0.00 C ATOM 0 H LEU A 71 -6.922 -9.226 -3.982 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.626 -8.913 -5.002 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.135 -10.111 -6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.513 -11.061 -5.046 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.404 -11.404 -5.512 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.108 -12.820 -7.496 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.687 -11.123 -7.827 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.400 -12.329 -7.588 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.762 -13.776 -5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.045 -13.307 -5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.104 -12.773 -3.941 1.00 0.00 H new ATOM 950 N LEU A 72 -10.689 -9.540 -2.828 1.00 0.00 N ATOM 951 CA LEU A 72 -11.450 -10.084 -1.723 1.00 0.00 C ATOM 952 C LEU A 72 -12.537 -10.989 -2.264 1.00 0.00 C ATOM 953 O LEU A 72 -13.705 -10.896 -1.892 1.00 0.00 O ATOM 954 CB LEU A 72 -12.044 -8.988 -0.836 1.00 0.00 C ATOM 955 CG LEU A 72 -11.043 -7.988 -0.257 1.00 0.00 C ATOM 956 CD1 LEU A 72 -9.699 -8.632 0.008 1.00 0.00 C ATOM 957 CD2 LEU A 72 -10.874 -6.813 -1.179 1.00 0.00 C ATOM 0 H LEU A 72 -11.025 -8.646 -3.186 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.773 -10.661 -1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.784 -8.438 -1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.575 -9.462 -0.010 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.446 -7.641 0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.015 -7.890 0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.821 -9.448 0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.293 -9.023 -0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.158 -6.113 -0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.508 -7.159 -2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.834 -6.314 -1.312 1.00 0.00 H new ATOM 968 N ASP A 73 -12.130 -11.827 -3.201 1.00 0.00 N ATOM 969 CA ASP A 73 -12.979 -12.875 -3.727 1.00 0.00 C ATOM 970 C ASP A 73 -12.752 -14.122 -2.895 1.00 0.00 C ATOM 971 O ASP A 73 -13.512 -15.090 -2.944 1.00 0.00 O ATOM 972 CB ASP A 73 -12.645 -13.110 -5.207 1.00 0.00 C ATOM 973 CG ASP A 73 -13.327 -14.321 -5.812 1.00 0.00 C ATOM 974 OD1 ASP A 73 -14.495 -14.210 -6.233 1.00 0.00 O ATOM 975 OD2 ASP A 73 -12.675 -15.385 -5.908 1.00 0.00 O ATOM 0 H ASP A 73 -11.199 -11.798 -3.618 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.031 -12.597 -3.670 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -12.928 -12.225 -5.777 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -11.566 -13.225 -5.311 1.00 0.00 H new ATOM 979 N GLN A 74 -11.684 -14.068 -2.114 1.00 0.00 N ATOM 980 CA GLN A 74 -11.397 -15.089 -1.131 1.00 0.00 C ATOM 981 C GLN A 74 -11.420 -14.456 0.255 1.00 0.00 C ATOM 982 O GLN A 74 -11.556 -13.239 0.372 1.00 0.00 O ATOM 983 CB GLN A 74 -10.039 -15.736 -1.406 1.00 0.00 C ATOM 984 CG GLN A 74 -8.864 -14.798 -1.200 1.00 0.00 C ATOM 985 CD GLN A 74 -7.539 -15.439 -1.549 1.00 0.00 C ATOM 986 OE1 GLN A 74 -7.456 -16.288 -2.434 1.00 0.00 O ATOM 987 NE2 GLN A 74 -6.495 -15.046 -0.844 1.00 0.00 N ATOM 0 H GLN A 74 -10.996 -13.315 -2.147 1.00 0.00 H new ATOM 0 HA GLN A 74 -12.153 -15.872 -1.187 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.920 -16.602 -0.754 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -10.023 -16.105 -2.432 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.004 -13.907 -1.811 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.843 -14.471 -0.160 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.607 -14.338 -0.118 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.576 -15.450 -1.025 1.00 0.00 H new ATOM 994 N ALA A 75 -11.283 -15.263 1.292 1.00 0.00 N ATOM 995 CA ALA A 75 -11.376 -14.765 2.657 1.00 0.00 C ATOM 996 C ALA A 75 -10.228 -13.811 3.001 1.00 0.00 C ATOM 997 O ALA A 75 -10.457 -12.644 3.315 1.00 0.00 O ATOM 998 CB ALA A 75 -11.414 -15.931 3.633 1.00 0.00 C ATOM 0 H ALA A 75 -11.107 -16.265 1.218 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.301 -14.195 2.741 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.484 -15.550 4.652 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -12.281 -16.556 3.419 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.505 -16.523 3.528 1.00 0.00 H new ATOM 1004 N ILE A 76 -8.998 -14.301 2.937 1.00 0.00 N ATOM 1005 CA ILE A 76 -7.849 -13.521 3.376 1.00 0.00 C ATOM 1006 C ILE A 76 -6.785 -13.416 2.286 1.00 0.00 C ATOM 1007 O ILE A 76 -6.279 -14.418 1.790 1.00 0.00 O ATOM 1008 CB ILE A 76 -7.253 -14.107 4.684 1.00 0.00 C ATOM 1009 CG1 ILE A 76 -5.838 -13.596 4.950 1.00 0.00 C ATOM 1010 CG2 ILE A 76 -7.269 -15.618 4.661 1.00 0.00 C ATOM 1011 CD1 ILE A 76 -5.779 -12.121 5.222 1.00 0.00 C ATOM 0 H ILE A 76 -8.770 -15.232 2.587 1.00 0.00 H new ATOM 0 HA ILE A 76 -8.199 -12.510 3.583 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.888 -13.763 5.501 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.420 -14.132 5.802 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.209 -13.825 4.090 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.846 -16.001 5.590 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.296 -15.969 4.558 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.677 -15.975 3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.745 -11.825 5.402 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.167 -11.576 4.361 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.381 -11.889 6.100 1.00 0.00 H new ATOM 1022 N THR A 77 -6.461 -12.182 1.921 1.00 0.00 N ATOM 1023 CA THR A 77 -5.480 -11.907 0.878 1.00 0.00 C ATOM 1024 C THR A 77 -4.159 -11.428 1.479 1.00 0.00 C ATOM 1025 O THR A 77 -4.078 -11.176 2.671 1.00 0.00 O ATOM 1026 CB THR A 77 -5.994 -10.822 -0.074 1.00 0.00 C ATOM 1027 OG1 THR A 77 -6.303 -9.630 0.658 1.00 0.00 O ATOM 1028 CG2 THR A 77 -7.226 -11.302 -0.808 1.00 0.00 C ATOM 0 H THR A 77 -6.869 -11.345 2.338 1.00 0.00 H new ATOM 0 HA THR A 77 -5.319 -12.838 0.334 1.00 0.00 H new ATOM 0 HB THR A 77 -5.212 -10.604 -0.802 1.00 0.00 H new ATOM 0 HG1 THR A 77 -5.752 -8.890 0.326 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.578 -10.519 -1.480 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.981 -12.193 -1.386 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.009 -11.541 -0.088 1.00 0.00 H new ATOM 1036 N SER A 78 -3.133 -11.306 0.651 1.00 0.00 N ATOM 1037 CA SER A 78 -1.862 -10.709 1.065 1.00 0.00 C ATOM 1038 C SER A 78 -1.597 -9.446 0.250 1.00 0.00 C ATOM 1039 O SER A 78 -1.520 -9.519 -0.974 1.00 0.00 O ATOM 1040 CB SER A 78 -0.737 -11.711 0.842 1.00 0.00 C ATOM 1041 OG SER A 78 -0.940 -12.884 1.607 1.00 0.00 O ATOM 0 H SER A 78 -3.152 -11.614 -0.321 1.00 0.00 H new ATOM 0 HA SER A 78 -1.910 -10.448 2.122 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.680 -11.968 -0.216 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.217 -11.258 1.112 1.00 0.00 H new ATOM 0 HG SER A 78 -0.205 -13.512 1.445 1.00 0.00 H new ATOM 1046 N ALA A 79 -1.389 -8.307 0.928 1.00 0.00 N ATOM 1047 CA ALA A 79 -1.307 -7.000 0.257 1.00 0.00 C ATOM 1048 C ALA A 79 0.060 -6.339 0.383 1.00 0.00 C ATOM 1049 O ALA A 79 0.510 -6.067 1.489 1.00 0.00 O ATOM 1050 CB ALA A 79 -2.350 -6.073 0.847 1.00 0.00 C ATOM 0 H ALA A 79 -1.274 -8.264 1.941 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.482 -7.180 -0.804 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.295 -5.102 0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.342 -6.500 0.698 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.165 -5.949 1.914 1.00 0.00 H new ATOM 1056 N GLY A 80 0.702 -6.051 -0.745 1.00 0.00 N ATOM 1057 CA GLY A 80 1.976 -5.369 -0.713 1.00 0.00 C ATOM 1058 C GLY A 80 2.954 -5.937 -1.718 1.00 0.00 C ATOM 1059 O GLY A 80 2.625 -6.116 -2.884 1.00 0.00 O ATOM 0 H GLY A 80 0.360 -6.279 -1.679 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.824 -4.309 -0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 80 2.401 -5.444 0.288 1.00 0.00 H new ATOM 1063 N ARG A 81 4.151 -6.240 -1.261 1.00 0.00 N ATOM 1064 CA ARG A 81 5.168 -6.818 -2.115 1.00 0.00 C ATOM 1065 C ARG A 81 4.982 -8.321 -2.174 1.00 0.00 C ATOM 1066 O ARG A 81 5.318 -9.038 -1.233 1.00 0.00 O ATOM 1067 CB ARG A 81 6.558 -6.453 -1.592 1.00 0.00 C ATOM 1068 CG ARG A 81 7.671 -7.360 -2.110 1.00 0.00 C ATOM 1069 CD ARG A 81 8.262 -8.255 -1.027 1.00 0.00 C ATOM 1070 NE ARG A 81 9.488 -7.684 -0.471 1.00 0.00 N ATOM 1071 CZ ARG A 81 10.672 -8.301 -0.511 1.00 0.00 C ATOM 1072 NH1 ARG A 81 10.767 -9.526 -1.015 1.00 0.00 N ATOM 1073 NH2 ARG A 81 11.758 -7.696 -0.047 1.00 0.00 N ATOM 0 H ARG A 81 4.445 -6.094 -0.295 1.00 0.00 H new ATOM 0 HA ARG A 81 5.073 -6.418 -3.124 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.782 -5.424 -1.871 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.548 -6.493 -0.503 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.280 -7.983 -2.915 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.463 -6.746 -2.538 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.531 -8.396 -0.231 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.474 -9.240 -1.443 1.00 0.00 H new ATOM 0 HE ARG A 81 9.436 -6.766 -0.029 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.935 -9.996 -1.372 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.672 -9.996 -1.045 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.691 -6.756 0.342 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.660 -8.171 -0.080 1.00 0.00 H new ATOM 1084 N HIS A 82 4.432 -8.807 -3.265 1.00 0.00 N ATOM 1085 CA HIS A 82 4.097 -10.209 -3.339 1.00 0.00 C ATOM 1086 C HIS A 82 4.455 -10.810 -4.683 1.00 0.00 C ATOM 1087 O HIS A 82 4.152 -10.239 -5.729 1.00 0.00 O ATOM 1088 CB HIS A 82 2.613 -10.412 -3.083 1.00 0.00 C ATOM 1089 CG HIS A 82 2.231 -10.087 -1.695 1.00 0.00 C ATOM 1090 ND1 HIS A 82 1.362 -9.186 -1.223 1.00 0.00 N flip ATOM 1091 CD2 HIS A 82 2.768 -10.719 -0.601 1.00 0.00 C flip ATOM 1092 CE1 HIS A 82 1.380 -9.279 0.139 1.00 0.00 C flip ATOM 1093 NE2 HIS A 82 2.236 -10.215 0.485 1.00 0.00 N flip ATOM 0 H HIS A 82 4.211 -8.262 -4.099 1.00 0.00 H new ATOM 0 HA HIS A 82 4.682 -10.716 -2.572 1.00 0.00 H new ATOM 0 HB2 HIS A 82 2.040 -9.789 -3.770 1.00 0.00 H new ATOM 0 HB3 HIS A 82 2.349 -11.448 -3.296 1.00 0.00 H new ATOM 0 HD1 HIS A 82 0.792 -8.548 -1.778 1.00 0.00 H new ATOM 0 HD2 HIS A 82 3.509 -11.504 -0.631 1.00 0.00 H new ATOM 0 HE1 HIS A 82 0.789 -8.683 0.819 1.00 0.00 H new ATOM 1133 N ASP A 86 -2.275 -12.105 -4.023 1.00 0.00 N ATOM 1134 CA ASP A 86 -3.425 -11.406 -4.587 1.00 0.00 C ATOM 1135 C ASP A 86 -3.080 -9.957 -4.914 1.00 0.00 C ATOM 1136 O ASP A 86 -3.036 -9.556 -6.078 1.00 0.00 O ATOM 1137 CB ASP A 86 -4.581 -11.443 -3.582 1.00 0.00 C ATOM 1138 CG ASP A 86 -4.521 -12.676 -2.707 1.00 0.00 C ATOM 1139 OD1 ASP A 86 -3.822 -12.627 -1.669 1.00 0.00 O ATOM 1140 OD2 ASP A 86 -5.136 -13.697 -3.062 1.00 0.00 O ATOM 0 HA ASP A 86 -3.715 -11.905 -5.512 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -4.549 -10.551 -2.957 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.530 -11.422 -4.118 1.00 0.00 H new ATOM 1144 N ILE A 87 -2.821 -9.181 -3.872 1.00 0.00 N ATOM 1145 CA ILE A 87 -2.576 -7.753 -4.007 1.00 0.00 C ATOM 1146 C ILE A 87 -1.070 -7.448 -3.951 1.00 0.00 C ATOM 1147 O ILE A 87 -0.467 -7.365 -2.880 1.00 0.00 O ATOM 1148 CB ILE A 87 -3.391 -6.964 -2.934 1.00 0.00 C ATOM 1149 CG1 ILE A 87 -2.755 -5.624 -2.556 1.00 0.00 C ATOM 1150 CG2 ILE A 87 -3.655 -7.801 -1.702 1.00 0.00 C ATOM 1151 CD1 ILE A 87 -3.041 -4.532 -3.550 1.00 0.00 C ATOM 0 H ILE A 87 -2.775 -9.522 -2.912 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.923 -7.420 -4.985 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.348 -6.734 -3.403 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.121 -5.319 -1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.676 -5.753 -2.468 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.224 -7.216 -0.980 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.224 -8.688 -1.980 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.707 -8.103 -1.257 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.562 -3.609 -3.224 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.651 -4.818 -4.527 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -4.118 -4.377 -3.621 1.00 0.00 H new ATOM 1162 N PHE A 88 -0.465 -7.339 -5.134 1.00 0.00 N ATOM 1163 CA PHE A 88 0.953 -6.997 -5.264 1.00 0.00 C ATOM 1164 C PHE A 88 1.141 -5.590 -5.819 1.00 0.00 C ATOM 1165 O PHE A 88 0.570 -5.223 -6.845 1.00 0.00 O ATOM 1166 CB PHE A 88 1.715 -7.999 -6.148 1.00 0.00 C ATOM 1167 CG PHE A 88 0.901 -8.710 -7.205 1.00 0.00 C ATOM 1168 CD1 PHE A 88 -0.070 -8.050 -7.949 1.00 0.00 C ATOM 1169 CD2 PHE A 88 1.135 -10.054 -7.466 1.00 0.00 C ATOM 1170 CE1 PHE A 88 -0.791 -8.714 -8.922 1.00 0.00 C ATOM 1171 CE2 PHE A 88 0.415 -10.722 -8.437 1.00 0.00 C ATOM 1172 CZ PHE A 88 -0.550 -10.052 -9.166 1.00 0.00 C ATOM 0 H PHE A 88 -0.940 -7.484 -6.025 1.00 0.00 H new ATOM 0 HA PHE A 88 1.367 -7.042 -4.257 1.00 0.00 H new ATOM 0 HB2 PHE A 88 2.530 -7.470 -6.642 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.168 -8.750 -5.502 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.263 -7.004 -7.764 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.889 -10.583 -6.903 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -1.543 -8.188 -9.492 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.606 -11.768 -8.627 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.114 -10.574 -9.925 1.00 0.00 H new ATOM 1181 N LEU A 89 1.954 -4.808 -5.126 1.00 0.00 N ATOM 1182 CA LEU A 89 2.231 -3.433 -5.515 1.00 0.00 C ATOM 1183 C LEU A 89 3.678 -3.277 -5.937 1.00 0.00 C ATOM 1184 O LEU A 89 4.536 -2.928 -5.124 1.00 0.00 O ATOM 1185 CB LEU A 89 1.915 -2.481 -4.364 1.00 0.00 C ATOM 1186 CG LEU A 89 0.480 -1.977 -4.319 1.00 0.00 C ATOM 1187 CD1 LEU A 89 0.226 -0.997 -5.445 1.00 0.00 C ATOM 1188 CD2 LEU A 89 -0.486 -3.120 -4.421 1.00 0.00 C ATOM 0 H LEU A 89 2.439 -5.107 -4.280 1.00 0.00 H new ATOM 0 HA LEU A 89 1.594 -3.184 -6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.136 -2.986 -3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.583 -1.622 -4.429 1.00 0.00 H new ATOM 0 HG LEU A 89 0.331 -1.471 -3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.805 -0.647 -5.397 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.902 -0.148 -5.348 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.398 -1.490 -6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.506 -2.738 -4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.327 -3.648 -5.361 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.327 -3.806 -3.589 1.00 0.00 H new ATOM 1199 N ASP A 90 3.941 -3.586 -7.205 1.00 0.00 N ATOM 1200 CA ASP A 90 5.286 -3.508 -7.790 1.00 0.00 C ATOM 1201 C ASP A 90 6.205 -4.544 -7.142 1.00 0.00 C ATOM 1202 O ASP A 90 7.371 -4.675 -7.505 1.00 0.00 O ATOM 1203 CB ASP A 90 5.860 -2.092 -7.643 1.00 0.00 C ATOM 1204 CG ASP A 90 6.971 -1.801 -8.630 1.00 0.00 C ATOM 1205 OD1 ASP A 90 6.666 -1.552 -9.816 1.00 0.00 O ATOM 1206 OD2 ASP A 90 8.148 -1.786 -8.222 1.00 0.00 O ATOM 0 H ASP A 90 3.227 -3.899 -7.862 1.00 0.00 H new ATOM 0 HA ASP A 90 5.217 -3.731 -8.855 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.060 -1.365 -7.780 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.238 -1.962 -6.629 1.00 0.00 H new ATOM 1210 N ASP A 91 5.627 -5.275 -6.180 1.00 0.00 N ATOM 1211 CA ASP A 91 6.268 -6.374 -5.456 1.00 0.00 C ATOM 1212 C ASP A 91 7.723 -6.101 -5.077 1.00 0.00 C ATOM 1213 O ASP A 91 8.548 -7.012 -5.085 1.00 0.00 O ATOM 1214 CB ASP A 91 6.152 -7.694 -6.232 1.00 0.00 C ATOM 1215 CG ASP A 91 6.718 -7.638 -7.642 1.00 0.00 C ATOM 1216 OD1 ASP A 91 7.947 -7.747 -7.807 1.00 0.00 O ATOM 1217 OD2 ASP A 91 5.923 -7.513 -8.598 1.00 0.00 O ATOM 0 H ASP A 91 4.667 -5.110 -5.876 1.00 0.00 H new ATOM 0 HA ASP A 91 5.720 -6.461 -4.518 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.668 -8.476 -5.676 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.102 -7.981 -6.285 1.00 0.00 H new ATOM 1221 N VAL A 92 8.033 -4.864 -4.708 1.00 0.00 N ATOM 1222 CA VAL A 92 9.370 -4.545 -4.225 1.00 0.00 C ATOM 1223 C VAL A 92 9.387 -3.231 -3.436 1.00 0.00 C ATOM 1224 O VAL A 92 10.425 -2.613 -3.275 1.00 0.00 O ATOM 1225 CB VAL A 92 10.390 -4.486 -5.392 1.00 0.00 C ATOM 1226 CG1 VAL A 92 10.178 -3.250 -6.254 1.00 0.00 C ATOM 1227 CG2 VAL A 92 11.823 -4.556 -4.873 1.00 0.00 C ATOM 0 H VAL A 92 7.387 -4.075 -4.733 1.00 0.00 H new ATOM 0 HA VAL A 92 9.666 -5.348 -3.549 1.00 0.00 H new ATOM 0 HB VAL A 92 10.219 -5.359 -6.022 1.00 0.00 H new ATOM 0 HG11 VAL A 92 10.909 -3.240 -7.062 1.00 0.00 H new ATOM 0 HG12 VAL A 92 9.173 -3.268 -6.675 1.00 0.00 H new ATOM 0 HG13 VAL A 92 10.300 -2.355 -5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.517 -4.513 -5.713 1.00 0.00 H new ATOM 0 HG22 VAL A 92 12.009 -3.715 -4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 92 11.968 -5.490 -4.330 1.00 0.00 H new ATOM 1237 N THR A 93 8.240 -2.808 -2.917 1.00 0.00 N ATOM 1238 CA THR A 93 8.199 -1.566 -2.141 1.00 0.00 C ATOM 1239 C THR A 93 7.642 -1.797 -0.732 1.00 0.00 C ATOM 1240 O THR A 93 7.648 -0.896 0.109 1.00 0.00 O ATOM 1241 CB THR A 93 7.353 -0.467 -2.832 1.00 0.00 C ATOM 1242 OG1 THR A 93 6.082 -0.354 -2.191 1.00 0.00 O ATOM 1243 CG2 THR A 93 7.123 -0.764 -4.316 1.00 0.00 C ATOM 0 H THR A 93 7.346 -3.289 -3.013 1.00 0.00 H new ATOM 0 HA THR A 93 9.233 -1.227 -2.075 1.00 0.00 H new ATOM 0 HB THR A 93 7.912 0.465 -2.748 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.387 -0.207 -2.866 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.525 0.033 -4.758 1.00 0.00 H new ATOM 0 HG22 THR A 93 8.083 -0.824 -4.828 1.00 0.00 H new ATOM 0 HG23 THR A 93 6.596 -1.713 -4.420 1.00 0.00 H new ATOM 1251 N VAL A 94 7.156 -3.002 -0.477 1.00 0.00 N ATOM 1252 CA VAL A 94 6.469 -3.301 0.775 1.00 0.00 C ATOM 1253 C VAL A 94 7.124 -4.495 1.448 1.00 0.00 C ATOM 1254 O VAL A 94 7.676 -5.344 0.761 1.00 0.00 O ATOM 1255 CB VAL A 94 4.983 -3.638 0.524 1.00 0.00 C ATOM 1256 CG1 VAL A 94 4.143 -3.346 1.755 1.00 0.00 C ATOM 1257 CG2 VAL A 94 4.445 -2.902 -0.695 1.00 0.00 C ATOM 0 H VAL A 94 7.224 -3.791 -1.120 1.00 0.00 H new ATOM 0 HA VAL A 94 6.535 -2.419 1.412 1.00 0.00 H new ATOM 0 HB VAL A 94 4.916 -4.706 0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.101 -3.592 1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.501 -3.947 2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.223 -2.289 2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.397 -3.162 -0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.534 -1.827 -0.540 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.018 -3.190 -1.576 1.00 0.00 H new ATOM 1267 N SER A 95 7.048 -4.574 2.777 1.00 0.00 N ATOM 1268 CA SER A 95 7.633 -5.688 3.523 1.00 0.00 C ATOM 1269 C SER A 95 6.800 -6.951 3.327 1.00 0.00 C ATOM 1270 O SER A 95 6.141 -7.428 4.253 1.00 0.00 O ATOM 1271 CB SER A 95 7.722 -5.331 5.005 1.00 0.00 C ATOM 1272 OG SER A 95 8.373 -4.084 5.178 1.00 0.00 O ATOM 0 H SER A 95 6.585 -3.877 3.360 1.00 0.00 H new ATOM 0 HA SER A 95 8.638 -5.878 3.147 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.721 -5.288 5.435 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.266 -6.109 5.540 1.00 0.00 H new ATOM 0 HG SER A 95 8.420 -3.869 6.133 1.00 0.00 H new ATOM 1277 N ARG A 96 6.864 -7.491 2.114 1.00 0.00 N ATOM 1278 CA ARG A 96 5.962 -8.544 1.656 1.00 0.00 C ATOM 1279 C ARG A 96 4.502 -8.084 1.728 1.00 0.00 C ATOM 1280 O ARG A 96 3.874 -7.889 0.706 1.00 0.00 O ATOM 1281 CB ARG A 96 6.180 -9.856 2.408 1.00 0.00 C ATOM 1282 CG ARG A 96 5.526 -11.053 1.725 1.00 0.00 C ATOM 1283 CD ARG A 96 4.426 -11.650 2.583 1.00 0.00 C ATOM 1284 NE ARG A 96 4.200 -10.836 3.751 1.00 0.00 N ATOM 1285 CZ ARG A 96 4.155 -11.323 4.997 1.00 0.00 C ATOM 1286 NH1 ARG A 96 4.257 -12.633 5.199 1.00 0.00 N ATOM 1287 NH2 ARG A 96 4.018 -10.511 6.038 1.00 0.00 N ATOM 0 H ARG A 96 7.550 -7.208 1.414 1.00 0.00 H new ATOM 0 HA ARG A 96 6.198 -8.743 0.611 1.00 0.00 H new ATOM 0 HB2 ARG A 96 7.250 -10.040 2.503 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.782 -9.759 3.418 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.113 -10.744 0.765 1.00 0.00 H new ATOM 0 HG3 ARG A 96 6.280 -11.812 1.518 1.00 0.00 H new ATOM 0 HD2 ARG A 96 3.506 -11.728 2.003 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.700 -12.661 2.884 1.00 0.00 H new ATOM 0 HE ARG A 96 4.067 -9.833 3.621 1.00 0.00 H new ATOM 0 HH11 ARG A 96 4.369 -13.264 4.406 1.00 0.00 H new ATOM 0 HH12 ARG A 96 4.223 -13.007 6.147 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.946 -9.504 5.893 1.00 0.00 H new ATOM 0 HH22 ARG A 96 3.985 -10.894 6.983 1.00 0.00 H new ATOM 1298 N ARG A 97 3.946 -7.881 2.904 1.00 0.00 N ATOM 1299 CA ARG A 97 2.578 -7.383 2.971 1.00 0.00 C ATOM 1300 C ARG A 97 2.434 -6.292 4.016 1.00 0.00 C ATOM 1301 O ARG A 97 2.855 -6.448 5.154 1.00 0.00 O ATOM 1302 CB ARG A 97 1.567 -8.519 3.236 1.00 0.00 C ATOM 1303 CG ARG A 97 1.626 -9.119 4.629 1.00 0.00 C ATOM 1304 CD ARG A 97 0.551 -10.181 4.844 1.00 0.00 C ATOM 1305 NE ARG A 97 0.784 -11.391 4.048 1.00 0.00 N ATOM 1306 CZ ARG A 97 0.773 -12.631 4.553 1.00 0.00 C ATOM 1307 NH1 ARG A 97 0.441 -12.841 5.816 1.00 0.00 N ATOM 1308 NH2 ARG A 97 1.062 -13.669 3.784 1.00 0.00 N ATOM 0 H ARG A 97 4.398 -8.045 3.803 1.00 0.00 H new ATOM 0 HA ARG A 97 2.352 -6.953 1.995 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.561 -8.137 3.064 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.736 -9.312 2.508 1.00 0.00 H new ATOM 0 HG2 ARG A 97 2.609 -9.561 4.791 1.00 0.00 H new ATOM 0 HG3 ARG A 97 1.506 -8.328 5.369 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.515 -10.447 5.900 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -0.423 -9.764 4.587 1.00 0.00 H new ATOM 0 HE ARG A 97 0.965 -11.281 3.050 1.00 0.00 H new ATOM 0 HH11 ARG A 97 0.190 -12.054 6.415 1.00 0.00 H new ATOM 0 HH12 ARG A 97 0.436 -13.790 6.191 1.00 0.00 H new ATOM 0 HH21 ARG A 97 1.295 -13.526 2.801 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.052 -14.611 4.174 1.00 0.00 H new ATOM 1319 N HIS A 98 1.852 -5.172 3.591 1.00 0.00 N ATOM 1320 CA HIS A 98 1.477 -4.102 4.508 1.00 0.00 C ATOM 1321 C HIS A 98 0.404 -4.634 5.412 1.00 0.00 C ATOM 1322 O HIS A 98 0.409 -4.438 6.620 1.00 0.00 O ATOM 1323 CB HIS A 98 0.949 -2.878 3.724 1.00 0.00 C ATOM 1324 CG HIS A 98 -0.436 -2.394 4.122 1.00 0.00 C ATOM 1325 ND1 HIS A 98 -0.648 -1.501 5.143 1.00 0.00 N ATOM 1326 CD2 HIS A 98 -1.681 -2.686 3.626 1.00 0.00 C ATOM 1327 CE1 HIS A 98 -1.940 -1.261 5.258 1.00 0.00 C ATOM 1328 NE2 HIS A 98 -2.585 -1.963 4.353 1.00 0.00 N ATOM 0 H HIS A 98 1.630 -4.983 2.613 1.00 0.00 H new ATOM 0 HA HIS A 98 2.343 -3.780 5.086 1.00 0.00 H new ATOM 0 HB2 HIS A 98 1.653 -2.056 3.852 1.00 0.00 H new ATOM 0 HB3 HIS A 98 0.937 -3.126 2.663 1.00 0.00 H new ATOM 0 HD1 HIS A 98 0.081 -1.087 5.723 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -1.905 -3.361 2.813 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -2.394 -0.596 5.978 1.00 0.00 H new ATOM 1336 N ALA A 99 -0.530 -5.284 4.769 1.00 0.00 N ATOM 1337 CA ALA A 99 -1.622 -5.906 5.432 1.00 0.00 C ATOM 1338 C ALA A 99 -2.044 -7.115 4.650 1.00 0.00 C ATOM 1339 O ALA A 99 -1.477 -7.432 3.602 1.00 0.00 O ATOM 1340 CB ALA A 99 -2.785 -4.942 5.583 1.00 0.00 C ATOM 0 H ALA A 99 -0.544 -5.392 3.755 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.308 -6.206 6.432 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.608 -5.442 6.093 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.468 -4.078 6.166 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.115 -4.613 4.598 1.00 0.00 H new ATOM 1346 N GLU A 100 -3.023 -7.772 5.172 1.00 0.00 N ATOM 1347 CA GLU A 100 -3.616 -8.916 4.549 1.00 0.00 C ATOM 1348 C GLU A 100 -5.099 -8.823 4.828 1.00 0.00 C ATOM 1349 O GLU A 100 -5.504 -8.674 5.983 1.00 0.00 O ATOM 1350 CB GLU A 100 -2.953 -10.180 5.129 1.00 0.00 C ATOM 1351 CG GLU A 100 -2.924 -10.187 6.655 1.00 0.00 C ATOM 1352 CD GLU A 100 -2.154 -11.352 7.240 1.00 0.00 C ATOM 1353 OE1 GLU A 100 -0.918 -11.246 7.386 1.00 0.00 O ATOM 1354 OE2 GLU A 100 -2.782 -12.376 7.575 1.00 0.00 O ATOM 0 H GLU A 100 -3.447 -7.526 6.066 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.468 -8.960 3.470 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.490 -11.061 4.777 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.934 -10.256 4.751 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.480 -9.256 7.006 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.947 -10.213 7.030 1.00 0.00 H new ATOM 1359 N PHE A 101 -5.909 -8.825 3.776 1.00 0.00 N ATOM 1360 CA PHE A 101 -7.305 -8.497 3.943 1.00 0.00 C ATOM 1361 C PHE A 101 -8.031 -9.659 4.555 1.00 0.00 C ATOM 1362 O PHE A 101 -8.474 -10.580 3.878 1.00 0.00 O ATOM 1363 CB PHE A 101 -7.970 -8.019 2.644 1.00 0.00 C ATOM 1364 CG PHE A 101 -8.747 -6.757 2.848 1.00 0.00 C ATOM 1365 CD1 PHE A 101 -8.098 -5.589 3.187 1.00 0.00 C ATOM 1366 CD2 PHE A 101 -10.116 -6.738 2.727 1.00 0.00 C ATOM 1367 CE1 PHE A 101 -8.805 -4.427 3.406 1.00 0.00 C ATOM 1368 CE2 PHE A 101 -10.831 -5.577 2.948 1.00 0.00 C ATOM 1369 CZ PHE A 101 -10.175 -4.419 3.287 1.00 0.00 C ATOM 0 H PHE A 101 -5.625 -9.046 2.822 1.00 0.00 H new ATOM 0 HA PHE A 101 -7.367 -7.648 4.624 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -7.206 -7.856 1.883 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.634 -8.797 2.268 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -7.022 -5.585 3.282 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -10.640 -7.643 2.456 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -8.282 -3.520 3.672 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -11.907 -5.580 2.854 1.00 0.00 H new ATOM 0 HZ PHE A 101 -10.731 -3.509 3.459 1.00 0.00 H new ATOM 1378 N ARG A 102 -8.105 -9.596 5.868 1.00 0.00 N ATOM 1379 CA ARG A 102 -8.609 -10.668 6.664 1.00 0.00 C ATOM 1380 C ARG A 102 -10.127 -10.653 6.688 1.00 0.00 C ATOM 1381 O ARG A 102 -10.739 -9.647 7.053 1.00 0.00 O ATOM 1382 CB ARG A 102 -8.061 -10.536 8.086 1.00 0.00 C ATOM 1383 CG ARG A 102 -8.498 -11.643 9.023 1.00 0.00 C ATOM 1384 CD ARG A 102 -8.037 -12.993 8.516 1.00 0.00 C ATOM 1385 NE ARG A 102 -6.591 -13.041 8.319 1.00 0.00 N ATOM 1386 CZ ARG A 102 -5.866 -14.141 8.528 1.00 0.00 C ATOM 1387 NH1 ARG A 102 -6.454 -15.250 8.962 1.00 0.00 N ATOM 1388 NH2 ARG A 102 -4.559 -14.140 8.311 1.00 0.00 N ATOM 0 H ARG A 102 -7.810 -8.783 6.409 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.287 -11.615 6.231 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -6.972 -10.519 8.044 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -8.379 -9.579 8.499 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -8.090 -11.465 10.018 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -9.584 -11.637 9.118 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -8.332 -13.766 9.226 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -8.538 -13.217 7.574 1.00 0.00 H new ATOM 0 HE ARG A 102 -6.114 -12.195 8.007 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -7.459 -15.260 9.135 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.900 -16.092 9.122 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -4.097 -13.292 7.981 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.014 -14.987 8.474 1.00 0.00 H new ATOM 1399 N LEU A 103 -10.732 -11.754 6.290 1.00 0.00 N ATOM 1400 CA LEU A 103 -12.169 -11.885 6.382 1.00 0.00 C ATOM 1401 C LEU A 103 -12.545 -12.364 7.772 1.00 0.00 C ATOM 1402 O LEU A 103 -12.024 -13.371 8.252 1.00 0.00 O ATOM 1403 CB LEU A 103 -12.697 -12.868 5.338 1.00 0.00 C ATOM 1404 CG LEU A 103 -14.151 -12.655 4.912 1.00 0.00 C ATOM 1405 CD1 LEU A 103 -15.114 -12.810 6.066 1.00 0.00 C ATOM 1406 CD2 LEU A 103 -14.312 -11.303 4.263 1.00 0.00 C ATOM 0 H LEU A 103 -10.252 -12.566 5.902 1.00 0.00 H new ATOM 0 HA LEU A 103 -12.619 -10.910 6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.064 -12.806 4.453 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.596 -13.879 5.732 1.00 0.00 H new ATOM 0 HG LEU A 103 -14.396 -13.431 4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -16.133 -12.650 5.714 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -15.027 -13.815 6.480 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.878 -12.078 6.838 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -15.351 -11.164 3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -14.031 -10.524 4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -13.671 -11.243 3.384 1.00 0.00 H new ATOM 1417 N GLU A 104 -13.431 -11.636 8.413 1.00 0.00 N ATOM 1418 CA GLU A 104 -13.993 -12.065 9.670 1.00 0.00 C ATOM 1419 C GLU A 104 -15.395 -11.497 9.796 1.00 0.00 C ATOM 1420 O GLU A 104 -15.590 -10.303 9.616 1.00 0.00 O ATOM 1421 CB GLU A 104 -13.106 -11.619 10.832 1.00 0.00 C ATOM 1422 CG GLU A 104 -13.385 -12.367 12.121 1.00 0.00 C ATOM 1423 CD GLU A 104 -12.312 -12.148 13.164 1.00 0.00 C ATOM 1424 OE1 GLU A 104 -11.149 -12.530 12.915 1.00 0.00 O ATOM 1425 OE2 GLU A 104 -12.628 -11.610 14.244 1.00 0.00 O ATOM 0 H GLU A 104 -13.779 -10.737 8.080 1.00 0.00 H new ATOM 0 HA GLU A 104 -14.045 -13.153 9.702 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.061 -11.760 10.557 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.250 -10.552 11.001 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -14.347 -12.047 12.522 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -13.467 -13.433 11.908 1.00 0.00 H new ATOM 1430 N ASN A 105 -16.362 -12.370 10.052 1.00 0.00 N ATOM 1431 CA ASN A 105 -17.776 -11.982 10.169 1.00 0.00 C ATOM 1432 C ASN A 105 -18.278 -11.463 8.831 1.00 0.00 C ATOM 1433 O ASN A 105 -18.979 -10.452 8.768 1.00 0.00 O ATOM 1434 CB ASN A 105 -17.987 -10.893 11.230 1.00 0.00 C ATOM 1435 CG ASN A 105 -17.381 -11.228 12.574 1.00 0.00 C ATOM 1436 OD1 ASN A 105 -17.321 -12.391 12.982 1.00 0.00 O ATOM 1437 ND2 ASN A 105 -16.918 -10.201 13.262 1.00 0.00 N ATOM 0 H ASN A 105 -16.196 -13.367 10.185 1.00 0.00 H new ATOM 0 HA ASN A 105 -18.332 -12.869 10.471 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -17.556 -9.959 10.870 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -19.056 -10.723 11.356 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -16.487 -10.351 14.174 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -16.991 -9.258 12.881 1.00 0.00 H new ATOM 1443 N ASN A 106 -17.868 -12.161 7.772 1.00 0.00 N ATOM 1444 CA ASN A 106 -18.221 -11.848 6.377 1.00 0.00 C ATOM 1445 C ASN A 106 -17.952 -10.392 5.997 1.00 0.00 C ATOM 1446 O ASN A 106 -18.532 -9.868 5.046 1.00 0.00 O ATOM 1447 CB ASN A 106 -19.653 -12.258 6.012 1.00 0.00 C ATOM 1448 CG ASN A 106 -20.744 -11.537 6.782 1.00 0.00 C ATOM 1449 OD1 ASN A 106 -21.198 -12.001 7.828 1.00 0.00 O ATOM 1450 ND2 ASN A 106 -21.196 -10.412 6.256 1.00 0.00 N ATOM 0 H ASN A 106 -17.267 -12.980 7.857 1.00 0.00 H new ATOM 0 HA ASN A 106 -17.548 -12.462 5.778 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -19.805 -12.082 4.947 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -19.761 -13.330 6.177 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -21.946 -9.898 6.719 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -20.795 -10.058 5.387 1.00 0.00 H new ATOM 1456 N GLU A 107 -17.066 -9.745 6.734 1.00 0.00 N ATOM 1457 CA GLU A 107 -16.586 -8.432 6.368 1.00 0.00 C ATOM 1458 C GLU A 107 -15.081 -8.492 6.126 1.00 0.00 C ATOM 1459 O GLU A 107 -14.340 -9.120 6.889 1.00 0.00 O ATOM 1460 CB GLU A 107 -16.947 -7.399 7.442 1.00 0.00 C ATOM 1461 CG GLU A 107 -16.257 -7.585 8.777 1.00 0.00 C ATOM 1462 CD GLU A 107 -16.768 -6.616 9.818 1.00 0.00 C ATOM 1463 OE1 GLU A 107 -17.959 -6.710 10.185 1.00 0.00 O ATOM 1464 OE2 GLU A 107 -15.988 -5.766 10.288 1.00 0.00 O ATOM 0 H GLU A 107 -16.664 -10.115 7.596 1.00 0.00 H new ATOM 0 HA GLU A 107 -17.072 -8.114 5.446 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -16.707 -6.406 7.063 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -18.025 -7.427 7.602 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -16.411 -8.606 9.126 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -15.183 -7.450 8.652 1.00 0.00 H new ATOM 1469 N PHE A 108 -14.646 -7.880 5.034 1.00 0.00 N ATOM 1470 CA PHE A 108 -13.241 -7.904 4.646 1.00 0.00 C ATOM 1471 C PHE A 108 -12.531 -6.724 5.337 1.00 0.00 C ATOM 1472 O PHE A 108 -13.122 -5.651 5.464 1.00 0.00 O ATOM 1473 CB PHE A 108 -13.090 -7.804 3.104 1.00 0.00 C ATOM 1474 CG PHE A 108 -14.233 -8.386 2.304 1.00 0.00 C ATOM 1475 CD1 PHE A 108 -15.459 -7.740 2.242 1.00 0.00 C ATOM 1476 CD2 PHE A 108 -14.075 -9.572 1.600 1.00 0.00 C ATOM 1477 CE1 PHE A 108 -16.503 -8.264 1.502 1.00 0.00 C ATOM 1478 CE2 PHE A 108 -15.116 -10.100 0.860 1.00 0.00 C ATOM 1479 CZ PHE A 108 -16.331 -9.446 0.812 1.00 0.00 C ATOM 0 H PHE A 108 -15.248 -7.358 4.398 1.00 0.00 H new ATOM 0 HA PHE A 108 -12.789 -8.846 4.956 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -12.977 -6.754 2.834 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -12.169 -8.309 2.812 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -15.600 -6.814 2.780 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -13.127 -10.088 1.631 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -17.451 -7.749 1.464 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -14.979 -11.025 0.319 1.00 0.00 H new ATOM 0 HZ PHE A 108 -17.145 -9.859 0.235 1.00 0.00 H new ATOM 1488 N ASN A 109 -11.276 -6.898 5.774 1.00 0.00 N ATOM 1489 CA ASN A 109 -10.601 -5.861 6.587 1.00 0.00 C ATOM 1490 C ASN A 109 -9.102 -5.828 6.315 1.00 0.00 C ATOM 1491 O ASN A 109 -8.529 -6.838 5.929 1.00 0.00 O ATOM 1492 CB ASN A 109 -10.785 -6.131 8.089 1.00 0.00 C ATOM 1493 CG ASN A 109 -12.195 -5.920 8.594 1.00 0.00 C ATOM 1494 OD1 ASN A 109 -12.523 -4.855 9.103 1.00 0.00 O ATOM 1495 ND2 ASN A 109 -13.031 -6.938 8.475 1.00 0.00 N ATOM 0 H ASN A 109 -10.712 -7.727 5.587 1.00 0.00 H new ATOM 0 HA ASN A 109 -11.055 -4.910 6.309 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -10.486 -7.158 8.300 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -10.111 -5.482 8.648 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -13.989 -6.853 8.814 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -12.717 -7.808 8.045 1.00 0.00 H new ATOM 1501 N VAL A 110 -8.443 -4.688 6.571 1.00 0.00 N ATOM 1502 CA VAL A 110 -6.989 -4.631 6.403 1.00 0.00 C ATOM 1503 C VAL A 110 -6.310 -4.708 7.743 1.00 0.00 C ATOM 1504 O VAL A 110 -6.427 -3.798 8.551 1.00 0.00 O ATOM 1505 CB VAL A 110 -6.469 -3.326 5.750 1.00 0.00 C ATOM 1506 CG1 VAL A 110 -5.716 -3.624 4.478 1.00 0.00 C ATOM 1507 CG2 VAL A 110 -7.568 -2.312 5.500 1.00 0.00 C ATOM 0 H VAL A 110 -8.879 -3.821 6.885 1.00 0.00 H new ATOM 0 HA VAL A 110 -6.759 -5.473 5.750 1.00 0.00 H new ATOM 0 HB VAL A 110 -5.784 -2.873 6.467 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -5.361 -2.692 4.038 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -4.865 -4.267 4.701 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -6.377 -4.129 3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.142 -1.420 5.041 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.315 -2.742 4.832 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.038 -2.044 6.446 1.00 0.00 H new ATOM 1517 N VAL A 111 -5.551 -5.767 7.939 1.00 0.00 N ATOM 1518 CA VAL A 111 -4.812 -5.948 9.171 1.00 0.00 C ATOM 1519 C VAL A 111 -3.365 -5.567 8.948 1.00 0.00 C ATOM 1520 O VAL A 111 -2.643 -6.252 8.225 1.00 0.00 O ATOM 1521 CB VAL A 111 -4.883 -7.409 9.664 1.00 0.00 C ATOM 1522 CG1 VAL A 111 -3.961 -7.621 10.857 1.00 0.00 C ATOM 1523 CG2 VAL A 111 -6.315 -7.787 10.014 1.00 0.00 C ATOM 0 H VAL A 111 -5.430 -6.517 7.259 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.261 -5.309 9.932 1.00 0.00 H new ATOM 0 HB VAL A 111 -4.546 -8.059 8.857 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.027 -8.657 11.188 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -2.934 -7.397 10.568 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.261 -6.960 11.671 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -6.344 -8.820 10.359 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.682 -7.130 10.803 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -6.945 -7.682 9.131 1.00 0.00 H new ATOM 1533 N ASP A 112 -2.950 -4.475 9.569 1.00 0.00 N ATOM 1534 CA ASP A 112 -1.593 -3.980 9.398 1.00 0.00 C ATOM 1535 C ASP A 112 -0.600 -4.952 10.025 1.00 0.00 C ATOM 1536 O ASP A 112 -0.724 -5.300 11.203 1.00 0.00 O ATOM 1537 CB ASP A 112 -1.428 -2.597 10.024 1.00 0.00 C ATOM 1538 CG ASP A 112 0.020 -2.148 10.028 1.00 0.00 C ATOM 1539 OD1 ASP A 112 0.665 -2.200 8.960 1.00 0.00 O ATOM 1540 OD2 ASP A 112 0.514 -1.731 11.093 1.00 0.00 O ATOM 0 H ASP A 112 -3.531 -3.916 10.194 1.00 0.00 H new ATOM 0 HA ASP A 112 -1.395 -3.898 8.329 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -2.031 -1.875 9.473 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -1.806 -2.614 11.046 1.00 0.00 H new ATOM 1544 N VAL A 113 0.379 -5.386 9.247 1.00 0.00 N ATOM 1545 CA VAL A 113 1.312 -6.401 9.696 1.00 0.00 C ATOM 1546 C VAL A 113 2.736 -6.003 9.336 1.00 0.00 C ATOM 1547 O VAL A 113 3.652 -6.827 9.370 1.00 0.00 O ATOM 1548 CB VAL A 113 0.991 -7.785 9.082 1.00 0.00 C ATOM 1549 CG1 VAL A 113 -0.325 -8.338 9.621 1.00 0.00 C ATOM 1550 CG2 VAL A 113 0.945 -7.694 7.568 1.00 0.00 C ATOM 0 H VAL A 113 0.546 -5.048 8.299 1.00 0.00 H new ATOM 0 HA VAL A 113 1.215 -6.478 10.779 1.00 0.00 H new ATOM 0 HB VAL A 113 1.787 -8.472 9.370 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -0.522 -9.311 9.171 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.258 -8.446 10.704 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.136 -7.653 9.374 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.718 -8.675 7.151 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.172 -6.986 7.269 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.911 -7.356 7.194 1.00 0.00 H new ATOM 1560 N GLY A 114 2.919 -4.739 8.980 1.00 0.00 N ATOM 1561 CA GLY A 114 4.248 -4.254 8.692 1.00 0.00 C ATOM 1562 C GLY A 114 4.458 -3.870 7.239 1.00 0.00 C ATOM 1563 O GLY A 114 4.601 -4.731 6.373 1.00 0.00 O ATOM 0 H GLY A 114 2.175 -4.047 8.887 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.453 -3.387 9.320 1.00 0.00 H new ATOM 0 HA3 GLY A 114 4.972 -5.022 8.963 1.00 0.00 H new ATOM 1567 N SER A 115 4.491 -2.574 6.977 1.00 0.00 N ATOM 1568 CA SER A 115 4.752 -2.058 5.643 1.00 0.00 C ATOM 1569 C SER A 115 6.024 -1.214 5.658 1.00 0.00 C ATOM 1570 O SER A 115 6.148 -0.328 6.503 1.00 0.00 O ATOM 1571 CB SER A 115 3.558 -1.221 5.173 1.00 0.00 C ATOM 1572 OG SER A 115 3.811 -0.565 3.940 1.00 0.00 O ATOM 0 H SER A 115 4.338 -1.852 7.681 1.00 0.00 H new ATOM 0 HA SER A 115 4.892 -2.888 4.951 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.685 -1.865 5.067 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.316 -0.479 5.934 1.00 0.00 H new ATOM 0 HG SER A 115 3.482 0.357 3.987 1.00 0.00 H new ATOM 1577 N LEU A 116 6.978 -1.489 4.760 1.00 0.00 N ATOM 1578 CA LEU A 116 8.270 -0.797 4.812 1.00 0.00 C ATOM 1579 C LEU A 116 8.104 0.723 4.781 1.00 0.00 C ATOM 1580 O LEU A 116 8.567 1.430 5.681 1.00 0.00 O ATOM 1581 CB LEU A 116 9.146 -1.224 3.645 1.00 0.00 C ATOM 1582 CG LEU A 116 10.497 -0.522 3.585 1.00 0.00 C ATOM 1583 CD1 LEU A 116 11.422 -1.039 4.677 1.00 0.00 C ATOM 1584 CD2 LEU A 116 11.115 -0.699 2.218 1.00 0.00 C ATOM 0 H LEU A 116 6.884 -2.169 4.006 1.00 0.00 H new ATOM 0 HA LEU A 116 8.743 -1.073 5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.311 -2.300 3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 116 8.610 -1.035 2.715 1.00 0.00 H new ATOM 0 HG LEU A 116 10.346 0.544 3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.381 -0.524 4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 116 10.972 -0.854 5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 116 11.576 -2.110 4.546 1.00 0.00 H new ATOM 0 HD21 LEU A 116 12.080 -0.193 2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 116 11.255 -1.761 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 116 10.456 -0.271 1.463 1.00 0.00 H new ATOM 1595 N ASN A 117 7.430 1.201 3.745 1.00 0.00 N ATOM 1596 CA ASN A 117 7.135 2.623 3.579 1.00 0.00 C ATOM 1597 C ASN A 117 6.251 3.131 4.707 1.00 0.00 C ATOM 1598 O ASN A 117 6.424 4.237 5.214 1.00 0.00 O ATOM 1599 CB ASN A 117 6.377 2.797 2.284 1.00 0.00 C ATOM 1600 CG ASN A 117 5.811 4.180 2.096 1.00 0.00 C ATOM 1601 OD1 ASN A 117 4.639 4.246 1.480 1.00 0.00 O flip ATOM 1602 ND2 ASN A 117 6.407 5.175 2.497 1.00 0.00 N flip ATOM 0 H ASN A 117 7.070 0.615 2.992 1.00 0.00 H new ATOM 0 HA ASN A 117 8.072 3.180 3.581 1.00 0.00 H new ATOM 0 HB2 ASN A 117 7.042 2.569 1.451 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.563 2.073 2.249 1.00 0.00 H new ATOM 0 HD21 ASN A 117 7.307 5.076 2.966 1.00 0.00 H new ATOM 0 HD22 ASN A 117 6.002 6.101 2.361 1.00 0.00 H new ATOM 1608 N GLY A 118 5.315 2.290 5.106 1.00 0.00 N ATOM 1609 CA GLY A 118 4.337 2.692 6.080 1.00 0.00 C ATOM 1610 C GLY A 118 2.936 2.236 5.723 1.00 0.00 C ATOM 1611 O GLY A 118 2.656 1.851 4.561 1.00 0.00 O ATOM 0 H GLY A 118 5.217 1.332 4.769 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.611 2.285 7.053 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.349 3.778 6.174 1.00 0.00 H new ATOM 1615 N THR A 119 2.088 2.232 6.744 1.00 0.00 N ATOM 1616 CA THR A 119 0.675 1.921 6.619 1.00 0.00 C ATOM 1617 C THR A 119 -0.185 3.159 6.869 1.00 0.00 C ATOM 1618 O THR A 119 0.045 3.906 7.819 1.00 0.00 O ATOM 1619 CB THR A 119 0.290 0.795 7.601 1.00 0.00 C ATOM 1620 OG1 THR A 119 0.804 -0.456 7.115 1.00 0.00 O ATOM 1621 CG2 THR A 119 -1.220 0.701 7.799 1.00 0.00 C ATOM 0 H THR A 119 2.372 2.449 7.699 1.00 0.00 H new ATOM 0 HA THR A 119 0.490 1.582 5.600 1.00 0.00 H new ATOM 0 HB THR A 119 0.729 1.027 8.571 1.00 0.00 H new ATOM 0 HG1 THR A 119 0.650 -1.155 7.784 1.00 0.00 H new ATOM 0 HG21 THR A 119 -1.446 -0.105 8.498 1.00 0.00 H new ATOM 0 HG22 THR A 119 -1.594 1.644 8.199 1.00 0.00 H new ATOM 0 HG23 THR A 119 -1.700 0.497 6.842 1.00 0.00 H new ATOM 1629 N TYR A 120 -1.165 3.374 6.005 1.00 0.00 N ATOM 1630 CA TYR A 120 -2.062 4.512 6.127 1.00 0.00 C ATOM 1631 C TYR A 120 -3.480 4.098 5.754 1.00 0.00 C ATOM 1632 O TYR A 120 -3.676 3.440 4.747 1.00 0.00 O ATOM 1633 CB TYR A 120 -1.584 5.625 5.195 1.00 0.00 C ATOM 1634 CG TYR A 120 -1.538 7.000 5.822 1.00 0.00 C ATOM 1635 CD1 TYR A 120 -1.065 7.179 7.116 1.00 0.00 C ATOM 1636 CD2 TYR A 120 -1.940 8.119 5.107 1.00 0.00 C ATOM 1637 CE1 TYR A 120 -0.999 8.440 7.683 1.00 0.00 C ATOM 1638 CE2 TYR A 120 -1.879 9.381 5.665 1.00 0.00 C ATOM 1639 CZ TYR A 120 -1.409 9.539 6.949 1.00 0.00 C ATOM 1640 OH TYR A 120 -1.353 10.800 7.498 1.00 0.00 O ATOM 0 H TYR A 120 -1.360 2.770 5.206 1.00 0.00 H new ATOM 0 HA TYR A 120 -2.061 4.870 7.157 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -0.588 5.373 4.832 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -2.241 5.659 4.326 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -0.744 6.321 7.688 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -2.307 8.001 4.098 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -0.630 8.565 8.690 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -2.199 10.241 5.096 1.00 0.00 H new ATOM 0 HH TYR A 120 -2.083 10.909 8.143 1.00 0.00 H new ATOM 1649 N VAL A 121 -4.454 4.436 6.580 1.00 0.00 N ATOM 1650 CA VAL A 121 -5.861 4.213 6.248 1.00 0.00 C ATOM 1651 C VAL A 121 -6.691 5.382 6.752 1.00 0.00 C ATOM 1652 O VAL A 121 -6.781 5.611 7.955 1.00 0.00 O ATOM 1653 CB VAL A 121 -6.411 2.890 6.847 1.00 0.00 C ATOM 1654 CG1 VAL A 121 -7.908 2.742 6.603 1.00 0.00 C ATOM 1655 CG2 VAL A 121 -5.692 1.703 6.254 1.00 0.00 C ATOM 0 H VAL A 121 -4.301 4.868 7.491 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.932 4.133 5.163 1.00 0.00 H new ATOM 0 HB VAL A 121 -6.237 2.926 7.922 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -8.256 1.804 7.036 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -8.436 3.575 7.067 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -8.103 2.741 5.531 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.090 0.784 6.685 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.839 1.691 5.174 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.627 1.776 6.474 1.00 0.00 H new ATOM 1665 N ASN A 122 -7.272 6.132 5.827 1.00 0.00 N ATOM 1666 CA ASN A 122 -8.067 7.311 6.170 1.00 0.00 C ATOM 1667 C ASN A 122 -7.196 8.316 6.921 1.00 0.00 C ATOM 1668 O ASN A 122 -7.610 8.878 7.935 1.00 0.00 O ATOM 1669 CB ASN A 122 -9.291 6.934 7.026 1.00 0.00 C ATOM 1670 CG ASN A 122 -10.012 5.690 6.531 1.00 0.00 C ATOM 1671 OD1 ASN A 122 -10.614 4.956 7.318 1.00 0.00 O ATOM 1672 ND2 ASN A 122 -9.961 5.442 5.229 1.00 0.00 N ATOM 0 H ASN A 122 -7.209 5.947 4.826 1.00 0.00 H new ATOM 0 HA ASN A 122 -8.430 7.758 5.245 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -8.970 6.774 8.055 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -9.990 7.770 7.036 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -10.430 4.620 4.848 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -9.453 6.073 4.609 1.00 0.00 H new ATOM 1678 N ARG A 123 -5.970 8.509 6.422 1.00 0.00 N ATOM 1679 CA ARG A 123 -5.008 9.445 7.017 1.00 0.00 C ATOM 1680 C ARG A 123 -4.522 9.016 8.410 1.00 0.00 C ATOM 1681 O ARG A 123 -3.922 9.816 9.129 1.00 0.00 O ATOM 1682 CB ARG A 123 -5.590 10.862 7.080 1.00 0.00 C ATOM 1683 CG ARG A 123 -5.915 11.444 5.717 1.00 0.00 C ATOM 1684 CD ARG A 123 -6.450 12.861 5.829 1.00 0.00 C ATOM 1685 NE ARG A 123 -5.467 13.780 6.400 1.00 0.00 N ATOM 1686 CZ ARG A 123 -5.704 15.072 6.617 1.00 0.00 C ATOM 1687 NH1 ARG A 123 -6.887 15.592 6.300 1.00 0.00 N ATOM 1688 NH2 ARG A 123 -4.764 15.841 7.154 1.00 0.00 N ATOM 0 H ARG A 123 -5.617 8.023 5.598 1.00 0.00 H new ATOM 0 HA ARG A 123 -4.138 9.436 6.360 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -6.496 10.847 7.685 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -4.879 11.516 7.585 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -5.019 11.440 5.096 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -6.652 10.814 5.218 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -6.745 13.215 4.841 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -7.347 12.861 6.448 1.00 0.00 H new ATOM 0 HE ARG A 123 -4.548 13.411 6.646 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -7.611 15.001 5.891 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -7.070 16.582 6.466 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -3.858 15.442 7.401 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -4.948 16.831 7.319 1.00 0.00 H new ATOM 1699 N GLU A 124 -4.766 7.769 8.798 1.00 0.00 N ATOM 1700 CA GLU A 124 -4.202 7.248 10.044 1.00 0.00 C ATOM 1701 C GLU A 124 -3.789 5.787 9.878 1.00 0.00 C ATOM 1702 O GLU A 124 -4.442 5.030 9.168 1.00 0.00 O ATOM 1703 CB GLU A 124 -5.204 7.374 11.202 1.00 0.00 C ATOM 1704 CG GLU A 124 -6.424 6.477 11.065 1.00 0.00 C ATOM 1705 CD GLU A 124 -7.280 6.452 12.315 1.00 0.00 C ATOM 1706 OE1 GLU A 124 -6.859 5.846 13.322 1.00 0.00 O ATOM 1707 OE2 GLU A 124 -8.386 7.031 12.294 1.00 0.00 O ATOM 0 H GLU A 124 -5.342 7.106 8.279 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.321 7.844 10.281 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -4.695 7.138 12.136 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -5.534 8.410 11.272 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -7.027 6.819 10.224 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -6.099 5.463 10.833 1.00 0.00 H new ATOM 1712 N PRO A 125 -2.662 5.381 10.477 1.00 0.00 N ATOM 1713 CA PRO A 125 -2.291 3.972 10.551 1.00 0.00 C ATOM 1714 C PRO A 125 -3.301 3.190 11.387 1.00 0.00 C ATOM 1715 O PRO A 125 -3.538 3.524 12.546 1.00 0.00 O ATOM 1716 CB PRO A 125 -0.920 3.979 11.241 1.00 0.00 C ATOM 1717 CG PRO A 125 -0.428 5.380 11.129 1.00 0.00 C ATOM 1718 CD PRO A 125 -1.650 6.253 11.078 1.00 0.00 C ATOM 0 HA PRO A 125 -2.268 3.497 9.570 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -1.004 3.674 12.284 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -0.234 3.282 10.759 1.00 0.00 H new ATOM 0 HG2 PRO A 125 0.201 5.641 11.980 1.00 0.00 H new ATOM 0 HG3 PRO A 125 0.179 5.508 10.233 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -1.947 6.588 12.072 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -1.481 7.147 10.477 1.00 0.00 H new ATOM 1723 N VAL A 126 -3.898 2.157 10.802 1.00 0.00 N ATOM 1724 CA VAL A 126 -4.945 1.400 11.484 1.00 0.00 C ATOM 1725 C VAL A 126 -4.479 -0.007 11.826 1.00 0.00 C ATOM 1726 O VAL A 126 -3.392 -0.427 11.430 1.00 0.00 O ATOM 1727 CB VAL A 126 -6.231 1.294 10.633 1.00 0.00 C ATOM 1728 CG1 VAL A 126 -6.743 2.675 10.255 1.00 0.00 C ATOM 1729 CG2 VAL A 126 -5.995 0.440 9.394 1.00 0.00 C ATOM 0 H VAL A 126 -3.678 1.825 9.863 1.00 0.00 H new ATOM 0 HA VAL A 126 -5.166 1.949 12.399 1.00 0.00 H new ATOM 0 HB VAL A 126 -6.996 0.804 11.235 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -7.649 2.576 9.656 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -6.966 3.241 11.160 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -5.982 3.200 9.678 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -6.915 0.381 8.812 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -5.210 0.890 8.786 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -5.691 -0.563 9.696 1.00 0.00 H new ATOM 1739 N ASP A 127 -5.317 -0.728 12.556 1.00 0.00 N ATOM 1740 CA ASP A 127 -5.041 -2.118 12.897 1.00 0.00 C ATOM 1741 C ASP A 127 -5.781 -3.047 11.942 1.00 0.00 C ATOM 1742 O ASP A 127 -5.202 -3.984 11.394 1.00 0.00 O ATOM 1743 CB ASP A 127 -5.461 -2.416 14.340 1.00 0.00 C ATOM 1744 CG ASP A 127 -4.603 -1.702 15.364 1.00 0.00 C ATOM 1745 OD1 ASP A 127 -4.890 -0.525 15.674 1.00 0.00 O ATOM 1746 OD2 ASP A 127 -3.640 -2.319 15.868 1.00 0.00 O ATOM 0 H ASP A 127 -6.199 -0.372 12.926 1.00 0.00 H new ATOM 0 HA ASP A 127 -3.968 -2.287 12.805 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -6.502 -2.123 14.478 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -5.407 -3.491 14.514 1.00 0.00 H new ATOM 1750 N SER A 128 -7.061 -2.766 11.740 1.00 0.00 N ATOM 1751 CA SER A 128 -7.903 -3.554 10.849 1.00 0.00 C ATOM 1752 C SER A 128 -9.130 -2.742 10.456 1.00 0.00 C ATOM 1753 O SER A 128 -10.056 -2.572 11.250 1.00 0.00 O ATOM 1754 CB SER A 128 -8.300 -4.868 11.527 1.00 0.00 C ATOM 1755 OG SER A 128 -8.811 -4.643 12.831 1.00 0.00 O ATOM 0 H SER A 128 -7.544 -1.987 12.188 1.00 0.00 H new ATOM 0 HA SER A 128 -7.349 -3.799 9.943 1.00 0.00 H new ATOM 0 HB2 SER A 128 -9.050 -5.379 10.923 1.00 0.00 H new ATOM 0 HB3 SER A 128 -7.434 -5.527 11.583 1.00 0.00 H new ATOM 0 HG SER A 128 -9.405 -3.864 12.820 1.00 0.00 H new ATOM 1760 N ALA A 129 -9.104 -2.206 9.245 1.00 0.00 N ATOM 1761 CA ALA A 129 -10.181 -1.355 8.754 1.00 0.00 C ATOM 1762 C ALA A 129 -11.121 -2.133 7.847 1.00 0.00 C ATOM 1763 O ALA A 129 -10.675 -2.966 7.058 1.00 0.00 O ATOM 1764 CB ALA A 129 -9.605 -0.171 8.004 1.00 0.00 C ATOM 0 H ALA A 129 -8.344 -2.346 8.579 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.750 -0.998 9.612 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -10.417 0.459 7.641 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -8.967 0.408 8.672 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -9.016 -0.527 7.159 1.00 0.00 H new ATOM 1770 N VAL A 130 -12.412 -1.838 7.947 1.00 0.00 N ATOM 1771 CA VAL A 130 -13.428 -2.553 7.184 1.00 0.00 C ATOM 1772 C VAL A 130 -13.511 -2.016 5.760 1.00 0.00 C ATOM 1773 O VAL A 130 -13.567 -0.802 5.551 1.00 0.00 O ATOM 1774 CB VAL A 130 -14.828 -2.433 7.834 1.00 0.00 C ATOM 1775 CG1 VAL A 130 -15.822 -3.367 7.151 1.00 0.00 C ATOM 1776 CG2 VAL A 130 -14.765 -2.713 9.329 1.00 0.00 C ATOM 0 H VAL A 130 -12.781 -1.105 8.552 1.00 0.00 H new ATOM 0 HA VAL A 130 -13.130 -3.601 7.174 1.00 0.00 H new ATOM 0 HB VAL A 130 -15.173 -1.408 7.700 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -16.799 -3.267 7.623 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -15.901 -3.106 6.096 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -15.477 -4.397 7.245 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -15.763 -2.621 9.759 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -14.390 -3.723 9.495 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -14.097 -1.995 9.806 1.00 0.00 H new ATOM 1786 N LEU A 131 -13.492 -2.930 4.794 1.00 0.00 N ATOM 1787 CA LEU A 131 -13.687 -2.597 3.388 1.00 0.00 C ATOM 1788 C LEU A 131 -14.959 -1.761 3.225 1.00 0.00 C ATOM 1789 O LEU A 131 -16.065 -2.234 3.492 1.00 0.00 O ATOM 1790 CB LEU A 131 -13.787 -3.896 2.577 1.00 0.00 C ATOM 1791 CG LEU A 131 -13.304 -3.839 1.123 1.00 0.00 C ATOM 1792 CD1 LEU A 131 -13.359 -5.223 0.514 1.00 0.00 C ATOM 1793 CD2 LEU A 131 -14.149 -2.882 0.300 1.00 0.00 C ATOM 0 H LEU A 131 -13.341 -3.924 4.965 1.00 0.00 H new ATOM 0 HA LEU A 131 -12.843 -2.012 3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -13.215 -4.666 3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -14.828 -4.218 2.577 1.00 0.00 H new ATOM 0 HG LEU A 131 -12.277 -3.475 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -13.015 -5.180 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -12.717 -5.896 1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -14.384 -5.591 0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -13.782 -2.863 -0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -15.187 -3.214 0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -14.085 -1.881 0.727 1.00 0.00 H new ATOM 1804 N ALA A 132 -14.790 -0.525 2.782 1.00 0.00 N ATOM 1805 CA ALA A 132 -15.886 0.419 2.679 1.00 0.00 C ATOM 1806 C ALA A 132 -16.037 0.859 1.235 1.00 0.00 C ATOM 1807 O ALA A 132 -15.368 0.327 0.354 1.00 0.00 O ATOM 1808 CB ALA A 132 -15.641 1.613 3.591 1.00 0.00 C ATOM 0 H ALA A 132 -13.889 -0.151 2.485 1.00 0.00 H new ATOM 0 HA ALA A 132 -16.811 -0.060 2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -16.471 2.314 3.504 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -15.561 1.272 4.623 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -14.715 2.109 3.300 1.00 0.00 H new ATOM 1814 N ASN A 133 -16.932 1.796 0.984 1.00 0.00 N ATOM 1815 CA ASN A 133 -17.157 2.283 -0.367 1.00 0.00 C ATOM 1816 C ASN A 133 -16.703 3.735 -0.502 1.00 0.00 C ATOM 1817 O ASN A 133 -17.436 4.658 -0.142 1.00 0.00 O ATOM 1818 CB ASN A 133 -18.640 2.165 -0.730 1.00 0.00 C ATOM 1819 CG ASN A 133 -18.914 2.420 -2.201 1.00 0.00 C ATOM 1820 OD1 ASN A 133 -18.102 2.091 -3.070 1.00 0.00 O ATOM 1821 ND2 ASN A 133 -20.060 3.020 -2.486 1.00 0.00 N ATOM 0 H ASN A 133 -17.515 2.236 1.696 1.00 0.00 H new ATOM 0 HA ASN A 133 -16.571 1.671 -1.053 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -18.994 1.168 -0.468 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -19.212 2.874 -0.132 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -20.300 3.227 -3.455 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -20.703 3.275 -1.736 1.00 0.00 H new ATOM 1827 N GLY A 134 -15.487 3.935 -1.001 1.00 0.00 N ATOM 1828 CA GLY A 134 -15.023 5.281 -1.303 1.00 0.00 C ATOM 1829 C GLY A 134 -13.931 5.784 -0.376 1.00 0.00 C ATOM 1830 O GLY A 134 -13.524 6.939 -0.472 1.00 0.00 O ATOM 0 H GLY A 134 -14.816 3.194 -1.202 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -14.654 5.305 -2.328 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -15.870 5.965 -1.254 1.00 0.00 H new ATOM 1834 N ASP A 135 -13.454 4.932 0.521 1.00 0.00 N ATOM 1835 CA ASP A 135 -12.399 5.329 1.455 1.00 0.00 C ATOM 1836 C ASP A 135 -11.076 4.667 1.071 1.00 0.00 C ATOM 1837 O ASP A 135 -11.065 3.669 0.348 1.00 0.00 O ATOM 1838 CB ASP A 135 -12.793 4.988 2.894 1.00 0.00 C ATOM 1839 CG ASP A 135 -13.926 5.861 3.402 1.00 0.00 C ATOM 1840 OD1 ASP A 135 -13.646 6.974 3.899 1.00 0.00 O ATOM 1841 OD2 ASP A 135 -15.101 5.442 3.298 1.00 0.00 O ATOM 0 H ASP A 135 -13.774 3.969 0.625 1.00 0.00 H new ATOM 0 HA ASP A 135 -12.268 6.409 1.396 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -13.091 3.941 2.949 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -11.926 5.107 3.544 1.00 0.00 H new ATOM 1845 N GLU A 136 -9.961 5.211 1.557 1.00 0.00 N ATOM 1846 CA GLU A 136 -8.653 4.837 1.029 1.00 0.00 C ATOM 1847 C GLU A 136 -7.723 4.184 2.061 1.00 0.00 C ATOM 1848 O GLU A 136 -7.847 4.383 3.272 1.00 0.00 O ATOM 1849 CB GLU A 136 -7.956 6.060 0.411 1.00 0.00 C ATOM 1850 CG GLU A 136 -7.551 7.140 1.413 1.00 0.00 C ATOM 1851 CD GLU A 136 -8.730 7.807 2.093 1.00 0.00 C ATOM 1852 OE1 GLU A 136 -9.246 8.802 1.551 1.00 0.00 O ATOM 1853 OE2 GLU A 136 -9.139 7.337 3.180 1.00 0.00 O ATOM 0 H GLU A 136 -9.938 5.903 2.306 1.00 0.00 H new ATOM 0 HA GLU A 136 -8.849 4.082 0.267 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -7.065 5.724 -0.119 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -8.620 6.503 -0.331 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -6.907 6.697 2.172 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -6.961 7.899 0.899 1.00 0.00 H new ATOM 1858 N VAL A 137 -6.784 3.406 1.527 1.00 0.00 N ATOM 1859 CA VAL A 137 -5.717 2.759 2.286 1.00 0.00 C ATOM 1860 C VAL A 137 -4.408 2.987 1.536 1.00 0.00 C ATOM 1861 O VAL A 137 -4.397 2.980 0.320 1.00 0.00 O ATOM 1862 CB VAL A 137 -5.947 1.227 2.426 1.00 0.00 C ATOM 1863 CG1 VAL A 137 -4.828 0.558 3.228 1.00 0.00 C ATOM 1864 CG2 VAL A 137 -7.299 0.934 3.056 1.00 0.00 C ATOM 0 H VAL A 137 -6.743 3.203 0.528 1.00 0.00 H new ATOM 0 HA VAL A 137 -5.695 3.186 3.289 1.00 0.00 H new ATOM 0 HB VAL A 137 -5.935 0.806 1.421 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -5.024 -0.511 3.304 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.874 0.717 2.725 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -4.787 0.991 4.227 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -7.434 -0.144 3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -7.344 1.386 4.047 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -8.089 1.350 2.431 1.00 0.00 H new ATOM 1874 N GLN A 138 -3.321 3.218 2.238 1.00 0.00 N ATOM 1875 CA GLN A 138 -2.030 3.361 1.593 1.00 0.00 C ATOM 1876 C GLN A 138 -1.113 2.245 2.058 1.00 0.00 C ATOM 1877 O GLN A 138 -0.917 2.048 3.262 1.00 0.00 O ATOM 1878 CB GLN A 138 -1.412 4.729 1.904 1.00 0.00 C ATOM 1879 CG GLN A 138 -0.328 5.178 0.922 1.00 0.00 C ATOM 1880 CD GLN A 138 0.976 4.413 1.028 1.00 0.00 C ATOM 1881 OE1 GLN A 138 1.203 3.442 0.330 1.00 0.00 O ATOM 1882 NE2 GLN A 138 1.845 4.859 1.901 1.00 0.00 N ATOM 0 H GLN A 138 -3.302 3.311 3.254 1.00 0.00 H new ATOM 0 HA GLN A 138 -2.163 3.295 0.513 1.00 0.00 H new ATOM 0 HB2 GLN A 138 -2.205 5.477 1.916 1.00 0.00 H new ATOM 0 HB3 GLN A 138 -0.986 4.701 2.907 1.00 0.00 H new ATOM 0 HG2 GLN A 138 -0.712 5.077 -0.093 1.00 0.00 H new ATOM 0 HG3 GLN A 138 -0.127 6.237 1.083 1.00 0.00 H new ATOM 0 HE21 GLN A 138 1.623 5.676 2.470 1.00 0.00 H new ATOM 0 HE22 GLN A 138 2.744 4.390 2.011 1.00 0.00 H new ATOM 1889 N ILE A 139 -0.578 1.501 1.108 1.00 0.00 N ATOM 1890 CA ILE A 139 0.383 0.461 1.413 1.00 0.00 C ATOM 1891 C ILE A 139 1.587 0.588 0.507 1.00 0.00 C ATOM 1892 O ILE A 139 1.441 0.814 -0.689 1.00 0.00 O ATOM 1893 CB ILE A 139 -0.219 -0.981 1.321 1.00 0.00 C ATOM 1894 CG1 ILE A 139 0.536 -1.899 0.345 1.00 0.00 C ATOM 1895 CG2 ILE A 139 -1.697 -0.968 0.984 1.00 0.00 C ATOM 1896 CD1 ILE A 139 0.122 -1.745 -1.097 1.00 0.00 C ATOM 0 H ILE A 139 -0.794 1.599 0.116 1.00 0.00 H new ATOM 0 HA ILE A 139 0.684 0.604 2.451 1.00 0.00 H new ATOM 0 HB ILE A 139 -0.094 -1.398 2.320 1.00 0.00 H new ATOM 0 HG12 ILE A 139 1.604 -1.698 0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 139 0.382 -2.935 0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 139 -2.067 -1.992 0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 139 -2.241 -0.424 1.756 1.00 0.00 H new ATOM 0 HG23 ILE A 139 -1.846 -0.479 0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 139 0.703 -2.428 -1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 139 -0.938 -1.976 -1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 139 0.302 -0.720 -1.420 1.00 0.00 H new ATOM 1907 N GLY A 140 2.774 0.524 1.082 1.00 0.00 N ATOM 1908 CA GLY A 140 3.955 0.337 0.255 1.00 0.00 C ATOM 1909 C GLY A 140 4.500 1.621 -0.328 1.00 0.00 C ATOM 1910 O GLY A 140 5.681 1.881 -0.190 1.00 0.00 O ATOM 0 H GLY A 140 2.946 0.596 2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 140 4.733 -0.140 0.851 1.00 0.00 H new ATOM 0 HA3 GLY A 140 3.713 -0.347 -0.559 1.00 0.00 H new ATOM 1914 N LYS A 141 3.663 2.359 -1.063 1.00 0.00 N ATOM 1915 CA LYS A 141 3.959 3.731 -1.477 1.00 0.00 C ATOM 1916 C LYS A 141 2.918 4.229 -2.481 1.00 0.00 C ATOM 1917 O LYS A 141 3.184 5.115 -3.278 1.00 0.00 O ATOM 1918 CB LYS A 141 5.372 3.849 -2.066 1.00 0.00 C ATOM 1919 CG LYS A 141 5.629 3.085 -3.341 1.00 0.00 C ATOM 1920 CD LYS A 141 7.119 3.051 -3.646 1.00 0.00 C ATOM 1921 CE LYS A 141 7.379 2.533 -5.039 1.00 0.00 C ATOM 1922 NZ LYS A 141 8.795 2.124 -5.243 1.00 0.00 N ATOM 0 H LYS A 141 2.758 2.019 -1.388 1.00 0.00 H new ATOM 0 HA LYS A 141 3.915 4.360 -0.588 1.00 0.00 H new ATOM 0 HB2 LYS A 141 5.579 4.903 -2.251 1.00 0.00 H new ATOM 0 HB3 LYS A 141 6.086 3.511 -1.315 1.00 0.00 H new ATOM 0 HG2 LYS A 141 5.247 2.068 -3.247 1.00 0.00 H new ATOM 0 HG3 LYS A 141 5.093 3.552 -4.167 1.00 0.00 H new ATOM 0 HD2 LYS A 141 7.537 4.053 -3.544 1.00 0.00 H new ATOM 0 HD3 LYS A 141 7.627 2.418 -2.919 1.00 0.00 H new ATOM 0 HE2 LYS A 141 6.727 1.681 -5.233 1.00 0.00 H new ATOM 0 HE3 LYS A 141 7.120 3.305 -5.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 8.894 1.667 -6.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 9.408 2.963 -5.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 9.074 1.455 -4.497 1.00 0.00 H new ATOM 1932 N PHE A 142 1.718 3.676 -2.395 1.00 0.00 N ATOM 1933 CA PHE A 142 0.686 3.864 -3.411 1.00 0.00 C ATOM 1934 C PHE A 142 -0.618 4.190 -2.699 1.00 0.00 C ATOM 1935 O PHE A 142 -0.851 3.679 -1.607 1.00 0.00 O ATOM 1936 CB PHE A 142 0.481 2.568 -4.221 1.00 0.00 C ATOM 1937 CG PHE A 142 1.728 1.747 -4.400 1.00 0.00 C ATOM 1938 CD1 PHE A 142 2.353 1.202 -3.304 1.00 0.00 C ATOM 1939 CD2 PHE A 142 2.271 1.520 -5.649 1.00 0.00 C ATOM 1940 CE1 PHE A 142 3.493 0.453 -3.433 1.00 0.00 C ATOM 1941 CE2 PHE A 142 3.416 0.762 -5.788 1.00 0.00 C ATOM 1942 CZ PHE A 142 4.027 0.229 -4.679 1.00 0.00 C ATOM 0 H PHE A 142 1.429 3.082 -1.618 1.00 0.00 H new ATOM 0 HA PHE A 142 0.986 4.664 -4.088 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -0.273 1.958 -3.724 1.00 0.00 H new ATOM 0 HB3 PHE A 142 0.086 2.826 -5.203 1.00 0.00 H new ATOM 0 HD1 PHE A 142 1.937 1.367 -2.321 1.00 0.00 H new ATOM 0 HD2 PHE A 142 1.796 1.939 -6.524 1.00 0.00 H new ATOM 0 HE1 PHE A 142 3.971 0.040 -2.557 1.00 0.00 H new ATOM 0 HE2 PHE A 142 3.832 0.588 -6.769 1.00 0.00 H new ATOM 0 HZ PHE A 142 4.923 -0.364 -4.786 1.00 0.00 H new ATOM 1951 N ARG A 143 -1.475 5.010 -3.287 1.00 0.00 N ATOM 1952 CA ARG A 143 -2.756 5.292 -2.652 1.00 0.00 C ATOM 1953 C ARG A 143 -3.818 4.331 -3.161 1.00 0.00 C ATOM 1954 O ARG A 143 -4.110 4.292 -4.356 1.00 0.00 O ATOM 1955 CB ARG A 143 -3.220 6.726 -2.893 1.00 0.00 C ATOM 1956 CG ARG A 143 -4.036 7.268 -1.731 1.00 0.00 C ATOM 1957 CD ARG A 143 -4.907 8.443 -2.134 1.00 0.00 C ATOM 1958 NE ARG A 143 -4.127 9.589 -2.587 1.00 0.00 N ATOM 1959 CZ ARG A 143 -4.670 10.728 -3.007 1.00 0.00 C ATOM 1960 NH1 ARG A 143 -5.984 10.904 -2.931 1.00 0.00 N ATOM 1961 NH2 ARG A 143 -3.901 11.706 -3.464 1.00 0.00 N ATOM 0 H ARG A 143 -1.316 5.481 -4.178 1.00 0.00 H new ATOM 0 HA ARG A 143 -2.613 5.161 -1.579 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -2.352 7.365 -3.054 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -3.818 6.765 -3.804 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -4.665 6.473 -1.331 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -3.363 7.576 -0.930 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -5.585 8.132 -2.929 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -5.525 8.740 -1.287 1.00 0.00 H new ATOM 0 HE ARG A 143 -3.110 9.513 -2.581 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -6.576 10.166 -2.551 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -6.401 11.777 -3.253 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -2.888 11.587 -3.495 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -4.322 12.578 -3.785 1.00 0.00 H new ATOM 1972 N LEU A 144 -4.383 3.559 -2.253 1.00 0.00 N ATOM 1973 CA LEU A 144 -5.414 2.592 -2.586 1.00 0.00 C ATOM 1974 C LEU A 144 -6.741 3.057 -2.023 1.00 0.00 C ATOM 1975 O LEU A 144 -6.771 3.847 -1.094 1.00 0.00 O ATOM 1976 CB LEU A 144 -5.096 1.208 -1.997 1.00 0.00 C ATOM 1977 CG LEU A 144 -3.705 0.636 -2.294 1.00 0.00 C ATOM 1978 CD1 LEU A 144 -2.633 1.296 -1.453 1.00 0.00 C ATOM 1979 CD2 LEU A 144 -3.692 -0.854 -2.055 1.00 0.00 C ATOM 0 H LEU A 144 -4.141 3.584 -1.262 1.00 0.00 H new ATOM 0 HA LEU A 144 -5.459 2.512 -3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -5.217 1.263 -0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -5.840 0.502 -2.366 1.00 0.00 H new ATOM 0 HG LEU A 144 -3.485 0.842 -3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -1.663 0.862 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -2.614 2.366 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -2.849 1.136 -0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -2.699 -1.248 -2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -3.947 -1.058 -1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -4.421 -1.334 -2.708 1.00 0.00 H new ATOM 1990 N VAL A 145 -7.825 2.586 -2.598 1.00 0.00 N ATOM 1991 CA VAL A 145 -9.154 2.828 -2.058 1.00 0.00 C ATOM 1992 C VAL A 145 -10.000 1.576 -2.212 1.00 0.00 C ATOM 1993 O VAL A 145 -9.887 0.864 -3.206 1.00 0.00 O ATOM 1994 CB VAL A 145 -9.855 4.039 -2.733 1.00 0.00 C ATOM 1995 CG1 VAL A 145 -9.125 4.457 -3.989 1.00 0.00 C ATOM 1996 CG2 VAL A 145 -11.311 3.734 -3.055 1.00 0.00 C ATOM 0 H VAL A 145 -7.816 2.026 -3.450 1.00 0.00 H new ATOM 0 HA VAL A 145 -9.044 3.074 -1.002 1.00 0.00 H new ATOM 0 HB VAL A 145 -9.829 4.863 -2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 145 -9.637 5.306 -4.442 1.00 0.00 H new ATOM 0 HG12 VAL A 145 -8.103 4.741 -3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 145 -9.109 3.626 -4.694 1.00 0.00 H new ATOM 0 HG21 VAL A 145 -11.769 4.604 -3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 145 -11.363 2.884 -3.735 1.00 0.00 H new ATOM 0 HG23 VAL A 145 -11.845 3.496 -2.135 1.00 0.00 H new ATOM 2006 N PHE A 146 -10.841 1.300 -1.237 1.00 0.00 N ATOM 2007 CA PHE A 146 -11.693 0.129 -1.320 1.00 0.00 C ATOM 2008 C PHE A 146 -13.112 0.488 -1.713 1.00 0.00 C ATOM 2009 O PHE A 146 -13.642 1.529 -1.315 1.00 0.00 O ATOM 2010 CB PHE A 146 -11.673 -0.715 -0.036 1.00 0.00 C ATOM 2011 CG PHE A 146 -11.625 0.032 1.270 1.00 0.00 C ATOM 2012 CD1 PHE A 146 -12.384 1.167 1.489 1.00 0.00 C ATOM 2013 CD2 PHE A 146 -10.814 -0.428 2.293 1.00 0.00 C ATOM 2014 CE1 PHE A 146 -12.331 1.827 2.701 1.00 0.00 C ATOM 2015 CE2 PHE A 146 -10.759 0.226 3.506 1.00 0.00 C ATOM 2016 CZ PHE A 146 -11.518 1.357 3.710 1.00 0.00 C ATOM 0 H PHE A 146 -10.954 1.859 -0.391 1.00 0.00 H new ATOM 0 HA PHE A 146 -11.273 -0.490 -2.113 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -12.560 -1.348 -0.032 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -10.809 -1.378 -0.079 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -13.025 1.541 0.704 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -10.215 -1.313 2.139 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -12.928 2.713 2.859 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -10.122 -0.148 4.294 1.00 0.00 H new ATOM 0 HZ PHE A 146 -11.476 1.874 4.657 1.00 0.00 H new ATOM 2025 N LEU A 147 -13.696 -0.374 -2.540 1.00 0.00 N ATOM 2026 CA LEU A 147 -15.070 -0.225 -2.992 1.00 0.00 C ATOM 2027 C LEU A 147 -15.814 -1.534 -2.773 1.00 0.00 C ATOM 2028 O LEU A 147 -15.245 -2.613 -2.949 1.00 0.00 O ATOM 2029 CB LEU A 147 -15.136 0.148 -4.484 1.00 0.00 C ATOM 2030 CG LEU A 147 -14.501 1.484 -4.883 1.00 0.00 C ATOM 2031 CD1 LEU A 147 -14.861 2.569 -3.884 1.00 0.00 C ATOM 2032 CD2 LEU A 147 -12.991 1.354 -5.029 1.00 0.00 C ATOM 0 H LEU A 147 -13.225 -1.198 -2.915 1.00 0.00 H new ATOM 0 HA LEU A 147 -15.531 0.579 -2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -14.652 -0.644 -5.055 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -16.183 0.164 -4.786 1.00 0.00 H new ATOM 0 HG LEU A 147 -14.903 1.771 -5.855 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -14.400 3.509 -4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -15.944 2.690 -3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -14.498 2.288 -2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -12.569 2.318 -5.313 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -12.560 1.034 -4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -12.762 0.617 -5.799 1.00 0.00 H new