USER MOD reduce.3.24.130724 H: found=0, std=0, add=358, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 359 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : B 712 CYS SG : rot 180:sc= 0 USER MOD Single : B 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 720 THR OG1 : rot 76:sc= 0.232 USER MOD Single : B 722 HIS : no HD1:sc= -0.388 K(o=-0.39,f=-1.7) USER MOD Single : B 725 LYS NZ :NH3+ -108:sc= -0.136 (180deg=-1.02) USER MOD Single : B 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 744 ASN :FLIP amide:sc= 1.15 F(o=-0.41,f=1.1) USER MOD Single : B 747 TYR OH : rot 180:sc= 0 USER MOD Single : B 748 LYS NZ :NH3+ -133:sc= 0.102 (180deg=-0.72) USER MOD Single : B 751 THR OG1 : rot -3:sc= 0.223 USER MOD Single : B 752 SER OG : rot 180:sc= 0 USER MOD Single : B 753 THR OG1 : rot 180:sc= 0 USER MOD Single : B 755 THR OG1 : rot -2:sc= -0.156 USER MOD Single : B 756 ASN : amide:sc= -0.0044 K(o=-0.0044,f=-1.2) USER MOD Single : B 758 THR OG1 : rot 135:sc= 0.191 USER MOD ----------------------------------------------------------------- ATOM 12 N PRO B 710 -10.324 -7.123 22.761 1.00 0.00 N ATOM 13 CA PRO B 710 -10.416 -6.369 21.473 1.00 0.00 C ATOM 14 C PRO B 710 -9.232 -6.661 20.551 1.00 0.00 C ATOM 15 O PRO B 710 -9.390 -6.752 19.334 1.00 0.00 O ATOM 16 CB PRO B 710 -10.425 -4.894 21.914 1.00 0.00 C ATOM 17 CG PRO B 710 -10.927 -4.911 23.325 1.00 0.00 C ATOM 18 CD PRO B 710 -10.451 -6.234 23.927 1.00 0.00 C ATOM 0 HA PRO B 710 -11.297 -6.648 20.895 1.00 0.00 H new ATOM 0 HB2 PRO B 710 -9.427 -4.459 21.856 1.00 0.00 H new ATOM 0 HB3 PRO B 710 -11.072 -4.295 21.273 1.00 0.00 H new ATOM 0 HG2 PRO B 710 -10.536 -4.063 23.888 1.00 0.00 H new ATOM 0 HG3 PRO B 710 -12.014 -4.839 23.353 1.00 0.00 H new ATOM 0 HD2 PRO B 710 -9.500 -6.118 24.447 1.00 0.00 H new ATOM 0 HD3 PRO B 710 -11.166 -6.624 24.652 1.00 0.00 H new ATOM 26 N GLU B 711 -8.049 -6.801 21.140 1.00 0.00 N ATOM 27 CA GLU B 711 -6.847 -7.077 20.362 1.00 0.00 C ATOM 28 C GLU B 711 -6.947 -8.439 19.683 1.00 0.00 C ATOM 29 O GLU B 711 -6.573 -8.592 18.521 1.00 0.00 O ATOM 30 CB GLU B 711 -5.620 -7.051 21.273 1.00 0.00 C ATOM 31 CG GLU B 711 -5.392 -5.627 21.780 1.00 0.00 C ATOM 32 CD GLU B 711 -4.208 -5.598 22.741 1.00 0.00 C ATOM 33 OE1 GLU B 711 -4.099 -6.513 23.542 1.00 0.00 O ATOM 34 OE2 GLU B 711 -3.427 -4.665 22.661 1.00 0.00 O ATOM 0 H GLU B 711 -7.897 -6.729 22.146 1.00 0.00 H new ATOM 0 HA GLU B 711 -6.749 -6.308 19.596 1.00 0.00 H new ATOM 0 HB2 GLU B 711 -5.764 -7.729 22.114 1.00 0.00 H new ATOM 0 HB3 GLU B 711 -4.742 -7.400 20.729 1.00 0.00 H new ATOM 0 HG2 GLU B 711 -5.205 -4.959 20.940 1.00 0.00 H new ATOM 0 HG3 GLU B 711 -6.288 -5.264 22.283 1.00 0.00 H new ATOM 41 N CYS B 712 -7.455 -9.422 20.415 1.00 0.00 N ATOM 42 CA CYS B 712 -7.599 -10.765 19.869 1.00 0.00 C ATOM 43 C CYS B 712 -8.598 -10.771 18.719 1.00 0.00 C ATOM 44 O CYS B 712 -8.413 -11.476 17.727 1.00 0.00 O ATOM 45 CB CYS B 712 -8.075 -11.726 20.959 1.00 0.00 C ATOM 46 SG CYS B 712 -6.770 -11.934 22.195 1.00 0.00 S ATOM 0 H CYS B 712 -7.771 -9.317 21.379 1.00 0.00 H new ATOM 0 HA CYS B 712 -6.627 -11.089 19.497 1.00 0.00 H new ATOM 0 HB2 CYS B 712 -8.978 -11.339 21.430 1.00 0.00 H new ATOM 0 HB3 CYS B 712 -8.332 -12.690 20.521 1.00 0.00 H new ATOM 0 HG CYS B 712 -7.177 -12.749 23.122 1.00 0.00 H new ATOM 52 N LEU B 713 -9.664 -9.993 18.862 1.00 0.00 N ATOM 53 CA LEU B 713 -10.692 -9.932 17.828 1.00 0.00 C ATOM 54 C LEU B 713 -10.095 -9.388 16.530 1.00 0.00 C ATOM 55 O LEU B 713 -10.352 -9.913 15.449 1.00 0.00 O ATOM 56 CB LEU B 713 -11.848 -9.032 18.303 1.00 0.00 C ATOM 57 CG LEU B 713 -13.169 -9.456 17.638 1.00 0.00 C ATOM 58 CD1 LEU B 713 -14.308 -8.571 18.161 1.00 0.00 C ATOM 59 CD2 LEU B 713 -13.066 -9.326 16.107 1.00 0.00 C ATOM 0 H LEU B 713 -9.839 -9.401 19.674 1.00 0.00 H new ATOM 0 HA LEU B 713 -11.076 -10.935 17.641 1.00 0.00 H new ATOM 0 HB2 LEU B 713 -11.943 -9.094 19.387 1.00 0.00 H new ATOM 0 HB3 LEU B 713 -11.630 -7.992 18.061 1.00 0.00 H new ATOM 0 HG LEU B 713 -13.373 -10.498 17.884 1.00 0.00 H new ATOM 0 HD11 LEU B 713 -15.245 -8.869 17.691 1.00 0.00 H new ATOM 0 HD12 LEU B 713 -14.391 -8.686 19.242 1.00 0.00 H new ATOM 0 HD13 LEU B 713 -14.098 -7.529 17.922 1.00 0.00 H new ATOM 0 HD21 LEU B 713 -14.009 -9.630 15.652 1.00 0.00 H new ATOM 0 HD22 LEU B 713 -12.853 -8.290 15.843 1.00 0.00 H new ATOM 0 HD23 LEU B 713 -12.263 -9.966 15.741 1.00 0.00 H new ATOM 71 N ILE B 714 -9.292 -8.334 16.645 1.00 0.00 N ATOM 72 CA ILE B 714 -8.670 -7.734 15.470 1.00 0.00 C ATOM 73 C ILE B 714 -7.731 -8.731 14.796 1.00 0.00 C ATOM 74 O ILE B 714 -7.731 -8.870 13.574 1.00 0.00 O ATOM 75 CB ILE B 714 -7.887 -6.481 15.879 1.00 0.00 C ATOM 76 CG1 ILE B 714 -8.866 -5.404 16.354 1.00 0.00 C ATOM 77 CG2 ILE B 714 -7.097 -5.951 14.678 1.00 0.00 C ATOM 78 CD1 ILE B 714 -8.090 -4.267 17.022 1.00 0.00 C ATOM 0 H ILE B 714 -9.059 -7.882 17.529 1.00 0.00 H new ATOM 0 HA ILE B 714 -9.453 -7.457 14.764 1.00 0.00 H new ATOM 0 HB ILE B 714 -7.197 -6.733 16.684 1.00 0.00 H new ATOM 0 HG12 ILE B 714 -9.439 -5.020 15.510 1.00 0.00 H new ATOM 0 HG13 ILE B 714 -9.581 -5.832 17.056 1.00 0.00 H new ATOM 0 HG21 ILE B 714 -6.542 -5.060 14.972 1.00 0.00 H new ATOM 0 HG22 ILE B 714 -6.401 -6.716 14.334 1.00 0.00 H new ATOM 0 HG23 ILE B 714 -7.786 -5.699 13.872 1.00 0.00 H new ATOM 0 HD11 ILE B 714 -8.787 -3.500 17.360 1.00 0.00 H new ATOM 0 HD12 ILE B 714 -7.537 -4.657 17.877 1.00 0.00 H new ATOM 0 HD13 ILE B 714 -7.392 -3.833 16.306 1.00 0.00 H new ATOM 90 N TRP B 715 -6.933 -9.423 15.602 1.00 0.00 N ATOM 91 CA TRP B 715 -5.995 -10.404 15.071 1.00 0.00 C ATOM 92 C TRP B 715 -6.740 -11.558 14.406 1.00 0.00 C ATOM 93 O TRP B 715 -6.384 -11.991 13.310 1.00 0.00 O ATOM 94 CB TRP B 715 -5.115 -10.946 16.196 1.00 0.00 C ATOM 95 CG TRP B 715 -4.141 -11.930 15.634 1.00 0.00 C ATOM 96 CD1 TRP B 715 -4.221 -13.272 15.782 1.00 0.00 C ATOM 97 CD2 TRP B 715 -2.944 -11.676 14.843 1.00 0.00 C ATOM 98 NE1 TRP B 715 -3.151 -13.858 15.130 1.00 0.00 N ATOM 99 CE2 TRP B 715 -2.335 -12.916 14.536 1.00 0.00 C ATOM 100 CE3 TRP B 715 -2.334 -10.501 14.365 1.00 0.00 C ATOM 101 CZ2 TRP B 715 -1.163 -12.989 13.783 1.00 0.00 C ATOM 102 CZ3 TRP B 715 -1.154 -10.571 13.607 1.00 0.00 C ATOM 103 CH2 TRP B 715 -0.570 -11.812 13.316 1.00 0.00 C ATOM 0 H TRP B 715 -6.917 -9.324 16.617 1.00 0.00 H new ATOM 0 HA TRP B 715 -5.371 -9.912 14.324 1.00 0.00 H new ATOM 0 HB2 TRP B 715 -4.583 -10.128 16.683 1.00 0.00 H new ATOM 0 HB3 TRP B 715 -5.732 -11.423 16.958 1.00 0.00 H new ATOM 0 HD1 TRP B 715 -4.994 -13.800 16.321 1.00 0.00 H new ATOM 0 HE1 TRP B 715 -2.985 -14.864 15.093 1.00 0.00 H new ATOM 0 HE3 TRP B 715 -2.776 -9.540 14.582 1.00 0.00 H new ATOM 0 HZ2 TRP B 715 -0.717 -13.948 13.562 1.00 0.00 H new ATOM 0 HZ3 TRP B 715 -0.693 -9.663 13.246 1.00 0.00 H new ATOM 0 HH2 TRP B 715 0.337 -11.859 12.732 1.00 0.00 H new ATOM 114 N LYS B 716 -7.774 -12.048 15.078 1.00 0.00 N ATOM 115 CA LYS B 716 -8.564 -13.153 14.548 1.00 0.00 C ATOM 116 C LYS B 716 -9.252 -12.741 13.253 1.00 0.00 C ATOM 117 O LYS B 716 -9.400 -13.547 12.335 1.00 0.00 O ATOM 118 CB LYS B 716 -9.615 -13.587 15.572 1.00 0.00 C ATOM 119 CG LYS B 716 -10.352 -14.827 15.055 1.00 0.00 C ATOM 120 CD LYS B 716 -11.357 -15.298 16.108 1.00 0.00 C ATOM 121 CE LYS B 716 -12.082 -16.546 15.600 1.00 0.00 C ATOM 122 NZ LYS B 716 -13.044 -17.018 16.635 1.00 0.00 N ATOM 0 H LYS B 716 -8.084 -11.701 15.986 1.00 0.00 H new ATOM 0 HA LYS B 716 -7.895 -13.988 14.343 1.00 0.00 H new ATOM 0 HB2 LYS B 716 -9.138 -13.806 16.527 1.00 0.00 H new ATOM 0 HB3 LYS B 716 -10.323 -12.777 15.748 1.00 0.00 H new ATOM 0 HG2 LYS B 716 -10.867 -14.595 14.123 1.00 0.00 H new ATOM 0 HG3 LYS B 716 -9.639 -15.622 14.836 1.00 0.00 H new ATOM 0 HD2 LYS B 716 -10.843 -15.519 17.044 1.00 0.00 H new ATOM 0 HD3 LYS B 716 -12.077 -14.507 16.319 1.00 0.00 H new ATOM 0 HE2 LYS B 716 -12.610 -16.321 14.673 1.00 0.00 H new ATOM 0 HE3 LYS B 716 -11.361 -17.331 15.373 1.00 0.00 H new ATOM 0 HZ1 LYS B 716 -13.537 -17.866 16.290 1.00 0.00 H new ATOM 0 HZ2 LYS B 716 -12.529 -17.248 17.509 1.00 0.00 H new ATOM 0 HZ3 LYS B 716 -13.739 -16.269 16.830 1.00 0.00 H new ATOM 136 N LEU B 717 -9.674 -11.484 13.187 1.00 0.00 N ATOM 137 CA LEU B 717 -10.348 -10.983 11.997 1.00 0.00 C ATOM 138 C LEU B 717 -9.420 -11.067 10.794 1.00 0.00 C ATOM 139 O LEU B 717 -9.836 -11.451 9.701 1.00 0.00 O ATOM 140 CB LEU B 717 -10.785 -9.527 12.207 1.00 0.00 C ATOM 141 CG LEU B 717 -11.437 -8.971 10.930 1.00 0.00 C ATOM 142 CD1 LEU B 717 -12.618 -9.857 10.501 1.00 0.00 C ATOM 143 CD2 LEU B 717 -11.930 -7.545 11.199 1.00 0.00 C ATOM 0 H LEU B 717 -9.563 -10.800 13.935 1.00 0.00 H new ATOM 0 HA LEU B 717 -11.229 -11.598 11.814 1.00 0.00 H new ATOM 0 HB2 LEU B 717 -11.489 -9.469 13.037 1.00 0.00 H new ATOM 0 HB3 LEU B 717 -9.923 -8.918 12.477 1.00 0.00 H new ATOM 0 HG LEU B 717 -10.701 -8.963 10.126 1.00 0.00 H new ATOM 0 HD11 LEU B 717 -13.068 -9.450 9.596 1.00 0.00 H new ATOM 0 HD12 LEU B 717 -12.262 -10.868 10.306 1.00 0.00 H new ATOM 0 HD13 LEU B 717 -13.362 -9.882 11.297 1.00 0.00 H new ATOM 0 HD21 LEU B 717 -12.394 -7.144 10.298 1.00 0.00 H new ATOM 0 HD22 LEU B 717 -12.661 -7.559 12.007 1.00 0.00 H new ATOM 0 HD23 LEU B 717 -11.086 -6.916 11.484 1.00 0.00 H new ATOM 155 N LEU B 718 -8.165 -10.700 11.002 1.00 0.00 N ATOM 156 CA LEU B 718 -7.186 -10.731 9.927 1.00 0.00 C ATOM 157 C LEU B 718 -6.990 -12.154 9.419 1.00 0.00 C ATOM 158 O LEU B 718 -6.856 -12.380 8.216 1.00 0.00 O ATOM 159 CB LEU B 718 -5.847 -10.160 10.417 1.00 0.00 C ATOM 160 CG LEU B 718 -4.794 -10.199 9.273 1.00 0.00 C ATOM 161 CD1 LEU B 718 -3.965 -8.907 9.274 1.00 0.00 C ATOM 162 CD2 LEU B 718 -3.845 -11.396 9.462 1.00 0.00 C ATOM 0 H LEU B 718 -7.802 -10.379 11.900 1.00 0.00 H new ATOM 0 HA LEU B 718 -7.557 -10.118 9.106 1.00 0.00 H new ATOM 0 HB2 LEU B 718 -5.985 -9.134 10.759 1.00 0.00 H new ATOM 0 HB3 LEU B 718 -5.489 -10.736 11.270 1.00 0.00 H new ATOM 0 HG LEU B 718 -5.323 -10.297 8.325 1.00 0.00 H new ATOM 0 HD11 LEU B 718 -3.231 -8.945 8.469 1.00 0.00 H new ATOM 0 HD12 LEU B 718 -4.624 -8.052 9.124 1.00 0.00 H new ATOM 0 HD13 LEU B 718 -3.451 -8.805 10.230 1.00 0.00 H new ATOM 0 HD21 LEU B 718 -3.113 -11.411 8.654 1.00 0.00 H new ATOM 0 HD22 LEU B 718 -3.329 -11.304 10.418 1.00 0.00 H new ATOM 0 HD23 LEU B 718 -4.420 -12.322 9.448 1.00 0.00 H new ATOM 174 N ILE B 719 -6.965 -13.110 10.341 1.00 0.00 N ATOM 175 CA ILE B 719 -6.770 -14.502 9.972 1.00 0.00 C ATOM 176 C ILE B 719 -7.905 -14.969 9.063 1.00 0.00 C ATOM 177 O ILE B 719 -7.673 -15.643 8.059 1.00 0.00 O ATOM 178 CB ILE B 719 -6.742 -15.369 11.234 1.00 0.00 C ATOM 179 CG1 ILE B 719 -5.517 -14.987 12.072 1.00 0.00 C ATOM 180 CG2 ILE B 719 -6.653 -16.847 10.834 1.00 0.00 C ATOM 181 CD1 ILE B 719 -5.529 -15.741 13.407 1.00 0.00 C ATOM 0 H ILE B 719 -7.077 -12.946 11.342 1.00 0.00 H new ATOM 0 HA ILE B 719 -5.823 -14.597 9.440 1.00 0.00 H new ATOM 0 HB ILE B 719 -7.650 -15.209 11.816 1.00 0.00 H new ATOM 0 HG12 ILE B 719 -4.605 -15.221 11.523 1.00 0.00 H new ATOM 0 HG13 ILE B 719 -5.513 -13.912 12.254 1.00 0.00 H new ATOM 0 HG21 ILE B 719 -6.633 -17.466 11.731 1.00 0.00 H new ATOM 0 HG22 ILE B 719 -7.520 -17.113 10.229 1.00 0.00 H new ATOM 0 HG23 ILE B 719 -5.743 -17.014 10.258 1.00 0.00 H new ATOM 0 HD11 ILE B 719 -4.653 -15.460 13.992 1.00 0.00 H new ATOM 0 HD12 ILE B 719 -6.432 -15.486 13.961 1.00 0.00 H new ATOM 0 HD13 ILE B 719 -5.510 -16.814 13.219 1.00 0.00 H new ATOM 193 N THR B 720 -9.131 -14.604 9.422 1.00 0.00 N ATOM 194 CA THR B 720 -10.296 -14.992 8.631 1.00 0.00 C ATOM 195 C THR B 720 -10.215 -14.391 7.232 1.00 0.00 C ATOM 196 O THR B 720 -10.476 -15.069 6.240 1.00 0.00 O ATOM 197 CB THR B 720 -11.577 -14.516 9.322 1.00 0.00 C ATOM 198 OG1 THR B 720 -11.545 -14.895 10.690 1.00 0.00 O ATOM 199 CG2 THR B 720 -12.794 -15.152 8.645 1.00 0.00 C ATOM 0 H THR B 720 -9.344 -14.045 10.248 1.00 0.00 H new ATOM 0 HA THR B 720 -10.312 -16.079 8.547 1.00 0.00 H new ATOM 0 HB THR B 720 -11.647 -13.431 9.246 1.00 0.00 H new ATOM 0 HG1 THR B 720 -10.935 -14.304 11.179 1.00 0.00 H new ATOM 0 HG21 THR B 720 -13.704 -14.812 9.139 1.00 0.00 H new ATOM 0 HG22 THR B 720 -12.820 -14.861 7.595 1.00 0.00 H new ATOM 0 HG23 THR B 720 -12.725 -16.237 8.719 1.00 0.00 H new ATOM 207 N ILE B 721 -9.857 -13.116 7.157 1.00 0.00 N ATOM 208 CA ILE B 721 -9.748 -12.440 5.871 1.00 0.00 C ATOM 209 C ILE B 721 -8.632 -13.064 5.037 1.00 0.00 C ATOM 210 O ILE B 721 -8.789 -13.285 3.837 1.00 0.00 O ATOM 211 CB ILE B 721 -9.463 -10.952 6.080 1.00 0.00 C ATOM 212 CG1 ILE B 721 -10.675 -10.296 6.746 1.00 0.00 C ATOM 213 CG2 ILE B 721 -9.204 -10.283 4.725 1.00 0.00 C ATOM 214 CD1 ILE B 721 -10.297 -8.894 7.227 1.00 0.00 C ATOM 0 H ILE B 721 -9.639 -12.533 7.965 1.00 0.00 H new ATOM 0 HA ILE B 721 -10.693 -12.552 5.340 1.00 0.00 H new ATOM 0 HB ILE B 721 -8.585 -10.835 6.715 1.00 0.00 H new ATOM 0 HG12 ILE B 721 -11.504 -10.239 6.041 1.00 0.00 H new ATOM 0 HG13 ILE B 721 -11.013 -10.902 7.587 1.00 0.00 H new ATOM 0 HG21 ILE B 721 -9.001 -9.223 4.876 1.00 0.00 H new ATOM 0 HG22 ILE B 721 -8.345 -10.752 4.246 1.00 0.00 H new ATOM 0 HG23 ILE B 721 -10.082 -10.398 4.089 1.00 0.00 H new ATOM 0 HD11 ILE B 721 -11.160 -8.427 7.701 1.00 0.00 H new ATOM 0 HD12 ILE B 721 -9.481 -8.964 7.947 1.00 0.00 H new ATOM 0 HD13 ILE B 721 -9.980 -8.291 6.376 1.00 0.00 H new ATOM 226 N HIS B 722 -7.504 -13.340 5.681 1.00 0.00 N ATOM 227 CA HIS B 722 -6.361 -13.931 4.993 1.00 0.00 C ATOM 228 C HIS B 722 -6.742 -15.273 4.376 1.00 0.00 C ATOM 229 O HIS B 722 -6.180 -15.680 3.359 1.00 0.00 O ATOM 230 CB HIS B 722 -5.204 -14.129 5.973 1.00 0.00 C ATOM 231 CG HIS B 722 -3.984 -14.591 5.222 1.00 0.00 C ATOM 232 ND1 HIS B 722 -3.800 -15.913 4.851 1.00 0.00 N ATOM 233 CD2 HIS B 722 -2.877 -13.916 4.766 1.00 0.00 C ATOM 234 CE1 HIS B 722 -2.624 -15.993 4.202 1.00 0.00 C ATOM 235 NE2 HIS B 722 -2.021 -14.804 4.122 1.00 0.00 N ATOM 0 H HIS B 722 -7.356 -13.165 6.675 1.00 0.00 H new ATOM 0 HA HIS B 722 -6.051 -13.253 4.198 1.00 0.00 H new ATOM 0 HB2 HIS B 722 -4.991 -13.196 6.495 1.00 0.00 H new ATOM 0 HB3 HIS B 722 -5.477 -14.863 6.731 1.00 0.00 H new ATOM 0 HD2 HIS B 722 -2.699 -12.858 4.889 1.00 0.00 H new ATOM 0 HE1 HIS B 722 -2.217 -16.907 3.795 1.00 0.00 H new ATOM 0 HE2 HIS B 722 -1.125 -14.592 3.683 1.00 0.00 H new ATOM 244 N ASP B 723 -7.692 -15.957 5.000 1.00 0.00 N ATOM 245 CA ASP B 723 -8.136 -17.256 4.505 1.00 0.00 C ATOM 246 C ASP B 723 -8.935 -17.093 3.216 1.00 0.00 C ATOM 247 O ASP B 723 -9.259 -18.073 2.547 1.00 0.00 O ATOM 248 CB ASP B 723 -9.004 -17.946 5.561 1.00 0.00 C ATOM 249 CG ASP B 723 -8.143 -18.385 6.739 1.00 0.00 C ATOM 250 OD1 ASP B 723 -6.933 -18.402 6.588 1.00 0.00 O ATOM 251 OD2 ASP B 723 -8.707 -18.698 7.774 1.00 0.00 O ATOM 0 H ASP B 723 -8.168 -15.638 5.844 1.00 0.00 H new ATOM 0 HA ASP B 723 -7.257 -17.867 4.300 1.00 0.00 H new ATOM 0 HB2 ASP B 723 -9.784 -17.266 5.904 1.00 0.00 H new ATOM 0 HB3 ASP B 723 -9.504 -18.810 5.124 1.00 0.00 H new ATOM 256 N ARG B 724 -9.248 -15.848 2.877 1.00 0.00 N ATOM 257 CA ARG B 724 -10.011 -15.565 1.667 1.00 0.00 C ATOM 258 C ARG B 724 -9.120 -15.683 0.435 1.00 0.00 C ATOM 259 O ARG B 724 -7.974 -15.231 0.437 1.00 0.00 O ATOM 260 CB ARG B 724 -10.591 -14.147 1.734 1.00 0.00 C ATOM 261 CG ARG B 724 -11.417 -13.964 3.017 1.00 0.00 C ATOM 262 CD ARG B 724 -12.776 -14.659 2.888 1.00 0.00 C ATOM 263 NE ARG B 724 -13.456 -14.212 1.679 1.00 0.00 N ATOM 264 CZ ARG B 724 -14.657 -14.672 1.352 1.00 0.00 C ATOM 265 NH1 ARG B 724 -15.253 -15.547 2.117 1.00 0.00 N ATOM 266 NH2 ARG B 724 -15.239 -14.249 0.265 1.00 0.00 N ATOM 0 H ARG B 724 -8.988 -15.024 3.418 1.00 0.00 H new ATOM 0 HA ARG B 724 -10.821 -16.291 1.594 1.00 0.00 H new ATOM 0 HB2 ARG B 724 -9.783 -13.416 1.707 1.00 0.00 H new ATOM 0 HB3 ARG B 724 -11.218 -13.962 0.861 1.00 0.00 H new ATOM 0 HG2 ARG B 724 -10.873 -14.374 3.868 1.00 0.00 H new ATOM 0 HG3 ARG B 724 -11.563 -12.902 3.213 1.00 0.00 H new ATOM 0 HD2 ARG B 724 -12.639 -15.740 2.858 1.00 0.00 H new ATOM 0 HD3 ARG B 724 -13.390 -14.439 3.762 1.00 0.00 H new ATOM 0 HE ARG B 724 -12.999 -13.532 1.072 1.00 0.00 H new ATOM 0 HH11 ARG B 724 -14.795 -15.877 2.967 1.00 0.00 H new ATOM 0 HH12 ARG B 724 -16.176 -15.900 1.865 1.00 0.00 H new ATOM 0 HH21 ARG B 724 -14.771 -13.566 -0.331 1.00 0.00 H new ATOM 0 HH22 ARG B 724 -16.162 -14.601 0.011 1.00 0.00 H new ATOM 280 N LYS B 725 -9.656 -16.290 -0.616 1.00 0.00 N ATOM 281 CA LYS B 725 -8.906 -16.463 -1.853 1.00 0.00 C ATOM 282 C LYS B 725 -8.744 -15.130 -2.574 1.00 0.00 C ATOM 283 O LYS B 725 -7.713 -14.870 -3.193 1.00 0.00 O ATOM 284 CB LYS B 725 -9.627 -17.461 -2.764 1.00 0.00 C ATOM 285 CG LYS B 725 -11.009 -16.914 -3.139 1.00 0.00 C ATOM 286 CD LYS B 725 -11.774 -17.961 -3.952 1.00 0.00 C ATOM 287 CE LYS B 725 -13.160 -17.416 -4.304 1.00 0.00 C ATOM 288 NZ LYS B 725 -13.013 -16.206 -5.163 1.00 0.00 N ATOM 0 H LYS B 725 -10.603 -16.669 -0.637 1.00 0.00 H new ATOM 0 HA LYS B 725 -7.916 -16.848 -1.607 1.00 0.00 H new ATOM 0 HB2 LYS B 725 -9.038 -17.637 -3.664 1.00 0.00 H new ATOM 0 HB3 LYS B 725 -9.730 -18.421 -2.258 1.00 0.00 H new ATOM 0 HG2 LYS B 725 -11.567 -16.660 -2.238 1.00 0.00 H new ATOM 0 HG3 LYS B 725 -10.903 -15.996 -3.718 1.00 0.00 H new ATOM 0 HD2 LYS B 725 -11.225 -18.204 -4.862 1.00 0.00 H new ATOM 0 HD3 LYS B 725 -11.868 -18.884 -3.380 1.00 0.00 H new ATOM 0 HE2 LYS B 725 -13.741 -18.177 -4.825 1.00 0.00 H new ATOM 0 HE3 LYS B 725 -13.706 -17.166 -3.395 1.00 0.00 H new ATOM 0 HZ1 LYS B 725 -13.262 -15.358 -4.614 1.00 0.00 H new ATOM 0 HZ2 LYS B 725 -12.029 -16.130 -5.490 1.00 0.00 H new ATOM 0 HZ3 LYS B 725 -13.646 -16.285 -5.985 1.00 0.00 H new ATOM 302 N GLU B 726 -9.768 -14.288 -2.490 1.00 0.00 N ATOM 303 CA GLU B 726 -9.725 -12.987 -3.143 1.00 0.00 C ATOM 304 C GLU B 726 -8.590 -12.145 -2.572 1.00 0.00 C ATOM 305 O GLU B 726 -7.902 -11.435 -3.303 1.00 0.00 O ATOM 306 CB GLU B 726 -11.056 -12.259 -2.943 1.00 0.00 C ATOM 307 CG GLU B 726 -12.157 -12.985 -3.719 1.00 0.00 C ATOM 308 CD GLU B 726 -13.504 -12.319 -3.461 1.00 0.00 C ATOM 309 OE1 GLU B 726 -13.522 -11.317 -2.764 1.00 0.00 O ATOM 310 OE2 GLU B 726 -14.496 -12.817 -3.965 1.00 0.00 O ATOM 0 H GLU B 726 -10.630 -14.481 -1.981 1.00 0.00 H new ATOM 0 HA GLU B 726 -9.552 -13.138 -4.209 1.00 0.00 H new ATOM 0 HB2 GLU B 726 -11.307 -12.223 -1.883 1.00 0.00 H new ATOM 0 HB3 GLU B 726 -10.974 -11.228 -3.287 1.00 0.00 H new ATOM 0 HG2 GLU B 726 -11.933 -12.969 -4.786 1.00 0.00 H new ATOM 0 HG3 GLU B 726 -12.196 -14.032 -3.417 1.00 0.00 H new ATOM 317 N PHE B 727 -8.397 -12.236 -1.261 1.00 0.00 N ATOM 318 CA PHE B 727 -7.340 -11.482 -0.600 1.00 0.00 C ATOM 319 C PHE B 727 -5.975 -11.884 -1.150 1.00 0.00 C ATOM 320 O PHE B 727 -5.130 -11.031 -1.426 1.00 0.00 O ATOM 321 CB PHE B 727 -7.385 -11.720 0.912 1.00 0.00 C ATOM 322 CG PHE B 727 -6.324 -10.882 1.586 1.00 0.00 C ATOM 323 CD1 PHE B 727 -6.455 -9.490 1.620 1.00 0.00 C ATOM 324 CD2 PHE B 727 -5.211 -11.494 2.181 1.00 0.00 C ATOM 325 CE1 PHE B 727 -5.477 -8.708 2.245 1.00 0.00 C ATOM 326 CE2 PHE B 727 -4.234 -10.713 2.806 1.00 0.00 C ATOM 327 CZ PHE B 727 -4.366 -9.319 2.839 1.00 0.00 C ATOM 0 H PHE B 727 -8.955 -12.821 -0.639 1.00 0.00 H new ATOM 0 HA PHE B 727 -7.498 -10.422 -0.796 1.00 0.00 H new ATOM 0 HB2 PHE B 727 -8.369 -11.462 1.302 1.00 0.00 H new ATOM 0 HB3 PHE B 727 -7.222 -12.776 1.130 1.00 0.00 H new ATOM 0 HD1 PHE B 727 -7.312 -9.018 1.163 1.00 0.00 H new ATOM 0 HD2 PHE B 727 -5.109 -12.569 2.156 1.00 0.00 H new ATOM 0 HE1 PHE B 727 -5.579 -7.633 2.269 1.00 0.00 H new ATOM 0 HE2 PHE B 727 -3.377 -11.185 3.264 1.00 0.00 H new ATOM 0 HZ PHE B 727 -3.612 -8.716 3.322 1.00 0.00 H new ATOM 337 N ALA B 728 -5.763 -13.188 -1.307 1.00 0.00 N ATOM 338 CA ALA B 728 -4.495 -13.688 -1.824 1.00 0.00 C ATOM 339 C ALA B 728 -4.249 -13.171 -3.238 1.00 0.00 C ATOM 340 O ALA B 728 -3.127 -12.814 -3.588 1.00 0.00 O ATOM 341 CB ALA B 728 -4.508 -15.217 -1.834 1.00 0.00 C ATOM 0 H ALA B 728 -6.447 -13.911 -1.085 1.00 0.00 H new ATOM 0 HA ALA B 728 -3.693 -13.332 -1.177 1.00 0.00 H new ATOM 0 HB1 ALA B 728 -3.558 -15.586 -2.221 1.00 0.00 H new ATOM 0 HB2 ALA B 728 -4.654 -15.586 -0.819 1.00 0.00 H new ATOM 0 HB3 ALA B 728 -5.321 -15.570 -2.469 1.00 0.00 H new ATOM 347 N LYS B 729 -5.304 -13.133 -4.046 1.00 0.00 N ATOM 348 CA LYS B 729 -5.181 -12.655 -5.420 1.00 0.00 C ATOM 349 C LYS B 729 -4.748 -11.192 -5.445 1.00 0.00 C ATOM 350 O LYS B 729 -3.882 -10.806 -6.228 1.00 0.00 O ATOM 351 CB LYS B 729 -6.520 -12.807 -6.145 1.00 0.00 C ATOM 352 CG LYS B 729 -6.833 -14.293 -6.337 1.00 0.00 C ATOM 353 CD LYS B 729 -8.192 -14.443 -7.024 1.00 0.00 C ATOM 354 CE LYS B 729 -8.507 -15.927 -7.217 1.00 0.00 C ATOM 355 NZ LYS B 729 -9.843 -16.071 -7.863 1.00 0.00 N ATOM 0 H LYS B 729 -6.244 -13.424 -3.778 1.00 0.00 H new ATOM 0 HA LYS B 729 -4.423 -13.252 -5.926 1.00 0.00 H new ATOM 0 HB2 LYS B 729 -7.313 -12.329 -5.570 1.00 0.00 H new ATOM 0 HB3 LYS B 729 -6.481 -12.305 -7.112 1.00 0.00 H new ATOM 0 HG2 LYS B 729 -6.056 -14.765 -6.938 1.00 0.00 H new ATOM 0 HG3 LYS B 729 -6.843 -14.801 -5.373 1.00 0.00 H new ATOM 0 HD2 LYS B 729 -8.969 -13.971 -6.423 1.00 0.00 H new ATOM 0 HD3 LYS B 729 -8.182 -13.934 -7.988 1.00 0.00 H new ATOM 0 HE2 LYS B 729 -7.740 -16.395 -7.834 1.00 0.00 H new ATOM 0 HE3 LYS B 729 -8.499 -16.440 -6.255 1.00 0.00 H new ATOM 0 HZ1 LYS B 729 -10.058 -17.080 -7.995 1.00 0.00 H new ATOM 0 HZ2 LYS B 729 -10.570 -15.638 -7.258 1.00 0.00 H new ATOM 0 HZ3 LYS B 729 -9.835 -15.595 -8.788 1.00 0.00 H new ATOM 369 N PHE B 730 -5.349 -10.386 -4.577 1.00 0.00 N ATOM 370 CA PHE B 730 -5.014 -8.972 -4.501 1.00 0.00 C ATOM 371 C PHE B 730 -3.545 -8.795 -4.140 1.00 0.00 C ATOM 372 O PHE B 730 -2.848 -7.960 -4.719 1.00 0.00 O ATOM 373 CB PHE B 730 -5.894 -8.286 -3.459 1.00 0.00 C ATOM 374 CG PHE B 730 -5.499 -6.833 -3.350 1.00 0.00 C ATOM 375 CD1 PHE B 730 -5.828 -5.943 -4.378 1.00 0.00 C ATOM 376 CD2 PHE B 730 -4.801 -6.378 -2.226 1.00 0.00 C ATOM 377 CE1 PHE B 730 -5.461 -4.598 -4.281 1.00 0.00 C ATOM 378 CE2 PHE B 730 -4.433 -5.034 -2.129 1.00 0.00 C ATOM 379 CZ PHE B 730 -4.763 -4.142 -3.156 1.00 0.00 C ATOM 0 H PHE B 730 -6.068 -10.688 -3.919 1.00 0.00 H new ATOM 0 HA PHE B 730 -5.191 -8.516 -5.475 1.00 0.00 H new ATOM 0 HB2 PHE B 730 -6.944 -8.369 -3.741 1.00 0.00 H new ATOM 0 HB3 PHE B 730 -5.784 -8.778 -2.493 1.00 0.00 H new ATOM 0 HD1 PHE B 730 -6.365 -6.295 -5.246 1.00 0.00 H new ATOM 0 HD2 PHE B 730 -4.547 -7.066 -1.433 1.00 0.00 H new ATOM 0 HE1 PHE B 730 -5.716 -3.910 -5.074 1.00 0.00 H new ATOM 0 HE2 PHE B 730 -3.894 -4.683 -1.262 1.00 0.00 H new ATOM 0 HZ PHE B 730 -4.479 -3.103 -3.081 1.00 0.00 H new ATOM 389 N GLU B 731 -3.081 -9.583 -3.177 1.00 0.00 N ATOM 390 CA GLU B 731 -1.692 -9.503 -2.747 1.00 0.00 C ATOM 391 C GLU B 731 -0.748 -9.744 -3.921 1.00 0.00 C ATOM 392 O GLU B 731 0.248 -9.040 -4.080 1.00 0.00 O ATOM 393 CB GLU B 731 -1.426 -10.538 -1.650 1.00 0.00 C ATOM 394 CG GLU B 731 -2.114 -10.105 -0.355 1.00 0.00 C ATOM 395 CD GLU B 731 -1.855 -11.137 0.736 1.00 0.00 C ATOM 396 OE1 GLU B 731 -1.951 -12.318 0.443 1.00 0.00 O ATOM 397 OE2 GLU B 731 -1.558 -10.732 1.848 1.00 0.00 O ATOM 0 H GLU B 731 -3.641 -10.278 -2.684 1.00 0.00 H new ATOM 0 HA GLU B 731 -1.510 -8.502 -2.355 1.00 0.00 H new ATOM 0 HB2 GLU B 731 -1.796 -11.515 -1.961 1.00 0.00 H new ATOM 0 HB3 GLU B 731 -0.353 -10.641 -1.486 1.00 0.00 H new ATOM 0 HG2 GLU B 731 -1.741 -9.130 -0.042 1.00 0.00 H new ATOM 0 HG3 GLU B 731 -3.186 -9.998 -0.520 1.00 0.00 H new ATOM 404 N GLU B 732 -1.065 -10.739 -4.744 1.00 0.00 N ATOM 405 CA GLU B 732 -0.233 -11.052 -5.897 1.00 0.00 C ATOM 406 C GLU B 732 -0.250 -9.900 -6.900 1.00 0.00 C ATOM 407 O GLU B 732 0.782 -9.545 -7.468 1.00 0.00 O ATOM 408 CB GLU B 732 -0.745 -12.322 -6.573 1.00 0.00 C ATOM 409 CG GLU B 732 -0.569 -13.505 -5.623 1.00 0.00 C ATOM 410 CD GLU B 732 -1.015 -14.793 -6.306 1.00 0.00 C ATOM 411 OE1 GLU B 732 -0.373 -15.182 -7.269 1.00 0.00 O ATOM 412 OE2 GLU B 732 -1.990 -15.371 -5.858 1.00 0.00 O ATOM 0 H GLU B 732 -1.884 -11.336 -4.634 1.00 0.00 H new ATOM 0 HA GLU B 732 0.790 -11.205 -5.554 1.00 0.00 H new ATOM 0 HB2 GLU B 732 -1.796 -12.208 -6.839 1.00 0.00 H new ATOM 0 HB3 GLU B 732 -0.199 -12.500 -7.499 1.00 0.00 H new ATOM 0 HG2 GLU B 732 0.475 -13.587 -5.320 1.00 0.00 H new ATOM 0 HG3 GLU B 732 -1.152 -13.344 -4.716 1.00 0.00 H new ATOM 419 N GLU B 733 -1.428 -9.323 -7.109 1.00 0.00 N ATOM 420 CA GLU B 733 -1.571 -8.213 -8.043 1.00 0.00 C ATOM 421 C GLU B 733 -0.822 -6.985 -7.538 1.00 0.00 C ATOM 422 O GLU B 733 -0.275 -6.213 -8.324 1.00 0.00 O ATOM 423 CB GLU B 733 -3.052 -7.870 -8.231 1.00 0.00 C ATOM 424 CG GLU B 733 -3.769 -9.036 -8.917 1.00 0.00 C ATOM 425 CD GLU B 733 -3.300 -9.166 -10.363 1.00 0.00 C ATOM 426 OE1 GLU B 733 -2.599 -8.280 -10.822 1.00 0.00 O ATOM 427 OE2 GLU B 733 -3.648 -10.153 -10.991 1.00 0.00 O ATOM 0 H GLU B 733 -2.293 -9.604 -6.647 1.00 0.00 H new ATOM 0 HA GLU B 733 -1.146 -8.515 -9.000 1.00 0.00 H new ATOM 0 HB2 GLU B 733 -3.513 -7.665 -7.265 1.00 0.00 H new ATOM 0 HB3 GLU B 733 -3.152 -6.965 -8.831 1.00 0.00 H new ATOM 0 HG2 GLU B 733 -3.570 -9.962 -8.378 1.00 0.00 H new ATOM 0 HG3 GLU B 733 -4.847 -8.876 -8.890 1.00 0.00 H new ATOM 434 N ARG B 734 -0.804 -6.809 -6.221 1.00 0.00 N ATOM 435 CA ARG B 734 -0.121 -5.668 -5.625 1.00 0.00 C ATOM 436 C ARG B 734 1.362 -5.699 -5.973 1.00 0.00 C ATOM 437 O ARG B 734 1.949 -4.676 -6.327 1.00 0.00 O ATOM 438 CB ARG B 734 -0.291 -5.699 -4.104 1.00 0.00 C ATOM 439 CG ARG B 734 0.339 -4.448 -3.486 1.00 0.00 C ATOM 440 CD ARG B 734 0.169 -4.485 -1.966 1.00 0.00 C ATOM 441 NE ARG B 734 0.627 -3.230 -1.381 1.00 0.00 N ATOM 442 CZ ARG B 734 0.891 -3.133 -0.083 1.00 0.00 C ATOM 443 NH1 ARG B 734 0.742 -4.173 0.692 1.00 0.00 N ATOM 444 NH2 ARG B 734 1.302 -2.000 0.417 1.00 0.00 N ATOM 0 H ARG B 734 -1.250 -7.436 -5.552 1.00 0.00 H new ATOM 0 HA ARG B 734 -0.559 -4.752 -6.021 1.00 0.00 H new ATOM 0 HB2 ARG B 734 -1.349 -5.749 -3.848 1.00 0.00 H new ATOM 0 HB3 ARG B 734 0.178 -6.594 -3.695 1.00 0.00 H new ATOM 0 HG2 ARG B 734 1.397 -4.397 -3.743 1.00 0.00 H new ATOM 0 HG3 ARG B 734 -0.131 -3.553 -3.893 1.00 0.00 H new ATOM 0 HD2 ARG B 734 -0.878 -4.653 -1.713 1.00 0.00 H new ATOM 0 HD3 ARG B 734 0.735 -5.318 -1.549 1.00 0.00 H new ATOM 0 HE ARG B 734 0.747 -2.413 -1.979 1.00 0.00 H new ATOM 0 HH11 ARG B 734 0.423 -5.059 0.301 1.00 0.00 H new ATOM 0 HH12 ARG B 734 0.945 -4.099 1.689 1.00 0.00 H new ATOM 0 HH21 ARG B 734 1.421 -1.188 -0.189 1.00 0.00 H new ATOM 0 HH22 ARG B 734 1.505 -1.926 1.414 1.00 0.00 H new ATOM 458 N ALA B 735 1.962 -6.878 -5.868 1.00 0.00 N ATOM 459 CA ALA B 735 3.382 -7.029 -6.170 1.00 0.00 C ATOM 460 C ALA B 735 3.655 -6.737 -7.643 1.00 0.00 C ATOM 461 O ALA B 735 4.668 -6.130 -7.987 1.00 0.00 O ATOM 462 CB ALA B 735 3.842 -8.450 -5.837 1.00 0.00 C ATOM 0 H ALA B 735 1.494 -7.737 -5.579 1.00 0.00 H new ATOM 0 HA ALA B 735 3.937 -6.315 -5.561 1.00 0.00 H new ATOM 0 HB1 ALA B 735 4.903 -8.552 -6.066 1.00 0.00 H new ATOM 0 HB2 ALA B 735 3.679 -8.646 -4.777 1.00 0.00 H new ATOM 0 HB3 ALA B 735 3.272 -9.165 -6.430 1.00 0.00 H new ATOM 468 N ARG B 736 2.745 -7.174 -8.505 1.00 0.00 N ATOM 469 CA ARG B 736 2.889 -6.955 -9.934 1.00 0.00 C ATOM 470 C ARG B 736 2.820 -5.467 -10.262 1.00 0.00 C ATOM 471 O ARG B 736 3.539 -4.978 -11.133 1.00 0.00 O ATOM 472 CB ARG B 736 1.772 -7.699 -10.668 1.00 0.00 C ATOM 473 CG ARG B 736 2.007 -9.221 -10.610 1.00 0.00 C ATOM 474 CD ARG B 736 2.922 -9.662 -11.759 1.00 0.00 C ATOM 475 NE ARG B 736 2.302 -9.343 -13.038 1.00 0.00 N ATOM 476 CZ ARG B 736 2.939 -9.555 -14.183 1.00 0.00 C ATOM 477 NH1 ARG B 736 4.142 -10.059 -14.177 1.00 0.00 N ATOM 478 NH2 ARG B 736 2.360 -9.259 -15.315 1.00 0.00 N ATOM 0 H ARG B 736 1.901 -7.681 -8.237 1.00 0.00 H new ATOM 0 HA ARG B 736 3.861 -7.331 -10.255 1.00 0.00 H new ATOM 0 HB2 ARG B 736 0.809 -7.457 -10.218 1.00 0.00 H new ATOM 0 HB3 ARG B 736 1.730 -7.371 -11.707 1.00 0.00 H new ATOM 0 HG2 ARG B 736 2.456 -9.490 -9.654 1.00 0.00 H new ATOM 0 HG3 ARG B 736 1.054 -9.746 -10.673 1.00 0.00 H new ATOM 0 HD2 ARG B 736 3.887 -9.163 -11.679 1.00 0.00 H new ATOM 0 HD3 ARG B 736 3.111 -10.734 -11.694 1.00 0.00 H new ATOM 0 HE ARG B 736 1.361 -8.949 -13.054 1.00 0.00 H new ATOM 0 HH11 ARG B 736 4.594 -10.290 -13.292 1.00 0.00 H new ATOM 0 HH12 ARG B 736 4.631 -10.222 -15.057 1.00 0.00 H new ATOM 0 HH21 ARG B 736 1.419 -8.865 -15.319 1.00 0.00 H new ATOM 0 HH22 ARG B 736 2.849 -9.421 -16.196 1.00 0.00 H new ATOM 598 N ASN B 744 9.858 4.633 -11.954 1.00 0.00 N ATOM 599 CA ASN B 744 10.571 5.527 -12.852 1.00 0.00 C ATOM 600 C ASN B 744 11.125 6.726 -12.083 1.00 0.00 C ATOM 601 O ASN B 744 10.504 7.197 -11.128 1.00 0.00 O ATOM 602 CB ASN B 744 9.641 6.018 -13.964 1.00 0.00 C ATOM 603 CG ASN B 744 9.208 4.846 -14.835 1.00 0.00 C ATOM 604 OD1 ASN B 744 8.905 5.056 -16.086 1.00 0.00 O flip ATOM 605 ND2 ASN B 744 9.148 3.710 -14.366 1.00 0.00 N flip ATOM 0 HA ASN B 744 11.399 4.975 -13.296 1.00 0.00 H new ATOM 0 HB2 ASN B 744 8.766 6.502 -13.530 1.00 0.00 H new ATOM 0 HB3 ASN B 744 10.151 6.765 -14.572 1.00 0.00 H new ATOM 0 HD21 ASN B 744 9.386 3.549 -13.387 1.00 0.00 H new ATOM 0 HD22 ASN B 744 8.861 2.929 -14.956 1.00 0.00 H new ATOM 612 N PRO B 745 12.274 7.223 -12.469 1.00 0.00 N ATOM 613 CA PRO B 745 12.912 8.387 -11.785 1.00 0.00 C ATOM 614 C PRO B 745 12.110 9.668 -11.961 1.00 0.00 C ATOM 615 O PRO B 745 12.267 10.623 -11.212 1.00 0.00 O ATOM 616 CB PRO B 745 14.293 8.487 -12.448 1.00 0.00 C ATOM 617 CG PRO B 745 14.145 7.825 -13.780 1.00 0.00 C ATOM 618 CD PRO B 745 13.091 6.738 -13.594 1.00 0.00 C ATOM 0 HA PRO B 745 12.971 8.250 -10.705 1.00 0.00 H new ATOM 0 HB2 PRO B 745 14.601 9.527 -12.559 1.00 0.00 H new ATOM 0 HB3 PRO B 745 15.054 7.991 -11.846 1.00 0.00 H new ATOM 0 HG2 PRO B 745 13.836 8.542 -14.540 1.00 0.00 H new ATOM 0 HG3 PRO B 745 15.092 7.398 -14.111 1.00 0.00 H new ATOM 0 HD2 PRO B 745 12.491 6.605 -14.495 1.00 0.00 H new ATOM 0 HD3 PRO B 745 13.547 5.774 -13.370 1.00 0.00 H new ATOM 626 N LEU B 746 11.261 9.681 -12.958 1.00 0.00 N ATOM 627 CA LEU B 746 10.438 10.848 -13.222 1.00 0.00 C ATOM 628 C LEU B 746 9.415 11.044 -12.103 1.00 0.00 C ATOM 629 O LEU B 746 9.048 12.173 -11.775 1.00 0.00 O ATOM 630 CB LEU B 746 9.723 10.678 -14.570 1.00 0.00 C ATOM 631 CG LEU B 746 10.676 11.036 -15.722 1.00 0.00 C ATOM 632 CD1 LEU B 746 10.994 12.549 -15.730 1.00 0.00 C ATOM 633 CD2 LEU B 746 11.968 10.225 -15.565 1.00 0.00 C ATOM 0 H LEU B 746 11.118 8.903 -13.601 1.00 0.00 H new ATOM 0 HA LEU B 746 11.076 11.731 -13.262 1.00 0.00 H new ATOM 0 HB2 LEU B 746 9.377 9.650 -14.680 1.00 0.00 H new ATOM 0 HB3 LEU B 746 8.841 11.317 -14.606 1.00 0.00 H new ATOM 0 HG LEU B 746 10.196 10.793 -16.670 1.00 0.00 H new ATOM 0 HD11 LEU B 746 11.670 12.774 -16.555 1.00 0.00 H new ATOM 0 HD12 LEU B 746 10.070 13.114 -15.853 1.00 0.00 H new ATOM 0 HD13 LEU B 746 11.466 12.827 -14.788 1.00 0.00 H new ATOM 0 HD21 LEU B 746 12.653 10.470 -16.377 1.00 0.00 H new ATOM 0 HD22 LEU B 746 12.436 10.467 -14.611 1.00 0.00 H new ATOM 0 HD23 LEU B 746 11.735 9.161 -15.596 1.00 0.00 H new ATOM 645 N TYR B 747 8.938 9.940 -11.540 1.00 0.00 N ATOM 646 CA TYR B 747 7.937 10.009 -10.481 1.00 0.00 C ATOM 647 C TYR B 747 8.469 10.748 -9.259 1.00 0.00 C ATOM 648 O TYR B 747 7.798 11.620 -8.705 1.00 0.00 O ATOM 649 CB TYR B 747 7.528 8.597 -10.077 1.00 0.00 C ATOM 650 CG TYR B 747 6.517 8.668 -8.959 1.00 0.00 C ATOM 651 CD1 TYR B 747 5.192 9.022 -9.240 1.00 0.00 C ATOM 652 CD2 TYR B 747 6.901 8.383 -7.643 1.00 0.00 C ATOM 653 CE1 TYR B 747 4.251 9.090 -8.205 1.00 0.00 C ATOM 654 CE2 TYR B 747 5.962 8.452 -6.609 1.00 0.00 C ATOM 655 CZ TYR B 747 4.636 8.805 -6.891 1.00 0.00 C ATOM 656 OH TYR B 747 3.710 8.873 -5.870 1.00 0.00 O ATOM 0 H TYR B 747 9.224 8.995 -11.795 1.00 0.00 H new ATOM 0 HA TYR B 747 7.076 10.557 -10.864 1.00 0.00 H new ATOM 0 HB2 TYR B 747 7.104 8.071 -10.932 1.00 0.00 H new ATOM 0 HB3 TYR B 747 8.403 8.031 -9.756 1.00 0.00 H new ATOM 0 HD1 TYR B 747 4.896 9.243 -10.255 1.00 0.00 H new ATOM 0 HD2 TYR B 747 7.923 8.110 -7.426 1.00 0.00 H new ATOM 0 HE1 TYR B 747 3.229 9.362 -8.421 1.00 0.00 H new ATOM 0 HE2 TYR B 747 6.259 8.233 -5.594 1.00 0.00 H new ATOM 0 HH TYR B 747 4.142 8.644 -5.021 1.00 0.00 H new ATOM 666 N LYS B 748 9.677 10.393 -8.848 1.00 0.00 N ATOM 667 CA LYS B 748 10.300 11.025 -7.690 1.00 0.00 C ATOM 668 C LYS B 748 10.572 12.502 -7.977 1.00 0.00 C ATOM 669 O LYS B 748 10.496 13.347 -7.089 1.00 0.00 O ATOM 670 CB LYS B 748 11.603 10.272 -7.323 1.00 0.00 C ATOM 671 CG LYS B 748 12.809 10.935 -7.990 1.00 0.00 C ATOM 672 CD LYS B 748 14.052 10.056 -7.857 1.00 0.00 C ATOM 673 CE LYS B 748 15.239 10.774 -8.505 1.00 0.00 C ATOM 674 NZ LYS B 748 14.955 10.999 -9.953 1.00 0.00 N ATOM 0 H LYS B 748 10.245 9.674 -9.296 1.00 0.00 H new ATOM 0 HA LYS B 748 9.622 10.972 -6.838 1.00 0.00 H new ATOM 0 HB2 LYS B 748 11.735 10.267 -6.241 1.00 0.00 H new ATOM 0 HB3 LYS B 748 11.531 9.232 -7.640 1.00 0.00 H new ATOM 0 HG2 LYS B 748 12.595 11.114 -9.044 1.00 0.00 H new ATOM 0 HG3 LYS B 748 12.995 11.907 -7.533 1.00 0.00 H new ATOM 0 HD2 LYS B 748 14.261 9.855 -6.806 1.00 0.00 H new ATOM 0 HD3 LYS B 748 13.886 9.092 -8.339 1.00 0.00 H new ATOM 0 HE2 LYS B 748 15.418 11.727 -8.006 1.00 0.00 H new ATOM 0 HE3 LYS B 748 16.145 10.179 -8.389 1.00 0.00 H new ATOM 0 HZ1 LYS B 748 15.781 10.715 -10.517 1.00 0.00 H new ATOM 0 HZ2 LYS B 748 14.130 10.432 -10.237 1.00 0.00 H new ATOM 0 HZ3 LYS B 748 14.755 12.007 -10.115 1.00 0.00 H new ATOM 688 N GLU B 749 10.914 12.793 -9.225 1.00 0.00 N ATOM 689 CA GLU B 749 11.218 14.158 -9.620 1.00 0.00 C ATOM 690 C GLU B 749 9.995 15.048 -9.464 1.00 0.00 C ATOM 691 O GLU B 749 10.101 16.202 -9.047 1.00 0.00 O ATOM 692 CB GLU B 749 11.704 14.181 -11.076 1.00 0.00 C ATOM 693 CG GLU B 749 12.458 15.484 -11.355 1.00 0.00 C ATOM 694 CD GLU B 749 11.494 16.662 -11.309 1.00 0.00 C ATOM 695 OE1 GLU B 749 10.344 16.477 -11.671 1.00 0.00 O ATOM 696 OE2 GLU B 749 11.920 17.735 -10.912 1.00 0.00 O ATOM 0 H GLU B 749 10.987 12.106 -9.975 1.00 0.00 H new ATOM 0 HA GLU B 749 12.006 14.541 -8.971 1.00 0.00 H new ATOM 0 HB2 GLU B 749 12.355 13.327 -11.265 1.00 0.00 H new ATOM 0 HB3 GLU B 749 10.855 14.090 -11.753 1.00 0.00 H new ATOM 0 HG2 GLU B 749 13.249 15.621 -10.618 1.00 0.00 H new ATOM 0 HG3 GLU B 749 12.938 15.434 -12.332 1.00 0.00 H new ATOM 703 N ALA B 750 8.836 14.505 -9.797 1.00 0.00 N ATOM 704 CA ALA B 750 7.596 15.258 -9.683 1.00 0.00 C ATOM 705 C ALA B 750 7.283 15.567 -8.221 1.00 0.00 C ATOM 706 O ALA B 750 6.812 16.657 -7.894 1.00 0.00 O ATOM 707 CB ALA B 750 6.446 14.463 -10.301 1.00 0.00 C ATOM 0 H ALA B 750 8.727 13.553 -10.146 1.00 0.00 H new ATOM 0 HA ALA B 750 7.715 16.200 -10.219 1.00 0.00 H new ATOM 0 HB1 ALA B 750 5.521 15.033 -10.212 1.00 0.00 H new ATOM 0 HB2 ALA B 750 6.657 14.276 -11.354 1.00 0.00 H new ATOM 0 HB3 ALA B 750 6.339 13.513 -9.778 1.00 0.00 H new ATOM 713 N THR B 751 7.548 14.603 -7.343 1.00 0.00 N ATOM 714 CA THR B 751 7.292 14.783 -5.924 1.00 0.00 C ATOM 715 C THR B 751 8.203 15.857 -5.344 1.00 0.00 C ATOM 716 O THR B 751 7.804 16.615 -4.461 1.00 0.00 O ATOM 717 CB THR B 751 7.516 13.461 -5.190 1.00 0.00 C ATOM 718 OG1 THR B 751 8.790 12.940 -5.534 1.00 0.00 O ATOM 719 CG2 THR B 751 6.428 12.460 -5.581 1.00 0.00 C ATOM 0 H THR B 751 7.938 13.694 -7.592 1.00 0.00 H new ATOM 0 HA THR B 751 6.258 15.102 -5.794 1.00 0.00 H new ATOM 0 HB THR B 751 7.472 13.634 -4.115 1.00 0.00 H new ATOM 0 HG1 THR B 751 9.213 13.523 -6.198 1.00 0.00 H new ATOM 0 HG21 THR B 751 6.593 11.520 -5.055 1.00 0.00 H new ATOM 0 HG22 THR B 751 5.451 12.861 -5.311 1.00 0.00 H new ATOM 0 HG23 THR B 751 6.464 12.285 -6.656 1.00 0.00 H new ATOM 727 N SER B 752 9.430 15.920 -5.848 1.00 0.00 N ATOM 728 CA SER B 752 10.391 16.904 -5.371 1.00 0.00 C ATOM 729 C SER B 752 9.851 18.313 -5.577 1.00 0.00 C ATOM 730 O SER B 752 9.985 19.175 -4.710 1.00 0.00 O ATOM 731 CB SER B 752 11.715 16.747 -6.120 1.00 0.00 C ATOM 732 OG SER B 752 12.519 17.899 -5.899 1.00 0.00 O ATOM 0 H SER B 752 9.780 15.305 -6.582 1.00 0.00 H new ATOM 0 HA SER B 752 10.557 16.740 -4.306 1.00 0.00 H new ATOM 0 HB2 SER B 752 12.237 15.854 -5.776 1.00 0.00 H new ATOM 0 HB3 SER B 752 11.530 16.618 -7.186 1.00 0.00 H new ATOM 0 HG SER B 752 13.369 17.801 -6.376 1.00 0.00 H new ATOM 738 N THR B 753 9.241 18.540 -6.729 1.00 0.00 N ATOM 739 CA THR B 753 8.683 19.851 -7.032 1.00 0.00 C ATOM 740 C THR B 753 7.551 20.192 -6.069 1.00 0.00 C ATOM 741 O THR B 753 7.494 21.293 -5.530 1.00 0.00 O ATOM 742 CB THR B 753 8.163 19.880 -8.471 1.00 0.00 C ATOM 743 OG1 THR B 753 9.243 19.648 -9.363 1.00 0.00 O ATOM 744 CG2 THR B 753 7.541 21.247 -8.762 1.00 0.00 C ATOM 0 H THR B 753 9.119 17.843 -7.464 1.00 0.00 H new ATOM 0 HA THR B 753 9.473 20.594 -6.918 1.00 0.00 H new ATOM 0 HB THR B 753 7.408 19.106 -8.604 1.00 0.00 H new ATOM 0 HG1 THR B 753 8.914 19.664 -10.286 1.00 0.00 H new ATOM 0 HG21 THR B 753 7.171 21.267 -9.787 1.00 0.00 H new ATOM 0 HG22 THR B 753 6.714 21.425 -8.074 1.00 0.00 H new ATOM 0 HG23 THR B 753 8.294 22.024 -8.633 1.00 0.00 H new ATOM 752 N PHE B 754 6.657 19.235 -5.857 1.00 0.00 N ATOM 753 CA PHE B 754 5.523 19.436 -4.957 1.00 0.00 C ATOM 754 C PHE B 754 5.996 19.743 -3.543 1.00 0.00 C ATOM 755 O PHE B 754 5.464 20.636 -2.882 1.00 0.00 O ATOM 756 CB PHE B 754 4.641 18.187 -4.940 1.00 0.00 C ATOM 757 CG PHE B 754 3.423 18.439 -4.082 1.00 0.00 C ATOM 758 CD1 PHE B 754 2.321 19.123 -4.611 1.00 0.00 C ATOM 759 CD2 PHE B 754 3.396 17.991 -2.755 1.00 0.00 C ATOM 760 CE1 PHE B 754 1.194 19.358 -3.813 1.00 0.00 C ATOM 761 CE2 PHE B 754 2.269 18.225 -1.959 1.00 0.00 C ATOM 762 CZ PHE B 754 1.168 18.909 -2.487 1.00 0.00 C ATOM 0 H PHE B 754 6.692 18.314 -6.293 1.00 0.00 H new ATOM 0 HA PHE B 754 4.947 20.286 -5.323 1.00 0.00 H new ATOM 0 HB2 PHE B 754 4.337 17.930 -5.955 1.00 0.00 H new ATOM 0 HB3 PHE B 754 5.203 17.338 -4.551 1.00 0.00 H new ATOM 0 HD1 PHE B 754 2.340 19.469 -5.634 1.00 0.00 H new ATOM 0 HD2 PHE B 754 4.246 17.465 -2.346 1.00 0.00 H new ATOM 0 HE1 PHE B 754 0.345 19.886 -4.221 1.00 0.00 H new ATOM 0 HE2 PHE B 754 2.249 17.878 -0.937 1.00 0.00 H new ATOM 0 HZ PHE B 754 0.299 19.090 -1.872 1.00 0.00 H new ATOM 772 N THR B 755 6.992 19.001 -3.078 1.00 0.00 N ATOM 773 CA THR B 755 7.515 19.207 -1.744 1.00 0.00 C ATOM 774 C THR B 755 7.985 20.645 -1.575 1.00 0.00 C ATOM 775 O THR B 755 7.870 21.227 -0.497 1.00 0.00 O ATOM 776 CB THR B 755 8.676 18.248 -1.493 1.00 0.00 C ATOM 777 OG1 THR B 755 9.592 18.321 -2.574 1.00 0.00 O ATOM 778 CG2 THR B 755 8.147 16.819 -1.359 1.00 0.00 C ATOM 0 H THR B 755 7.448 18.256 -3.605 1.00 0.00 H new ATOM 0 HA THR B 755 6.723 19.012 -1.021 1.00 0.00 H new ATOM 0 HB THR B 755 9.183 18.528 -0.570 1.00 0.00 H new ATOM 0 HG1 THR B 755 9.250 18.942 -3.251 1.00 0.00 H new ATOM 0 HG21 THR B 755 8.979 16.138 -1.180 1.00 0.00 H new ATOM 0 HG22 THR B 755 7.449 16.766 -0.524 1.00 0.00 H new ATOM 0 HG23 THR B 755 7.635 16.533 -2.278 1.00 0.00 H new ATOM 786 N ASN B 756 8.512 21.214 -2.645 1.00 0.00 N ATOM 787 CA ASN B 756 8.987 22.589 -2.597 1.00 0.00 C ATOM 788 C ASN B 756 7.817 23.560 -2.414 1.00 0.00 C ATOM 789 O ASN B 756 7.868 24.450 -1.566 1.00 0.00 O ATOM 790 CB ASN B 756 9.735 22.931 -3.889 1.00 0.00 C ATOM 791 CG ASN B 756 10.269 24.359 -3.825 1.00 0.00 C ATOM 792 OD1 ASN B 756 10.559 24.867 -2.742 1.00 0.00 O ATOM 793 ND2 ASN B 756 10.415 25.041 -4.929 1.00 0.00 N ATOM 0 H ASN B 756 8.622 20.753 -3.548 1.00 0.00 H new ATOM 0 HA ASN B 756 9.663 22.687 -1.747 1.00 0.00 H new ATOM 0 HB2 ASN B 756 10.559 22.233 -4.037 1.00 0.00 H new ATOM 0 HB3 ASN B 756 9.068 22.822 -4.744 1.00 0.00 H new ATOM 0 HD21 ASN B 756 10.770 25.997 -4.895 1.00 0.00 H new ATOM 0 HD22 ASN B 756 10.174 24.618 -5.825 1.00 0.00 H new ATOM 800 N ILE B 757 6.769 23.393 -3.226 1.00 0.00 N ATOM 801 CA ILE B 757 5.605 24.277 -3.146 1.00 0.00 C ATOM 802 C ILE B 757 4.847 24.069 -1.846 1.00 0.00 C ATOM 803 O ILE B 757 4.507 25.023 -1.146 1.00 0.00 O ATOM 804 CB ILE B 757 4.661 24.002 -4.321 1.00 0.00 C ATOM 805 CG1 ILE B 757 5.479 24.006 -5.613 1.00 0.00 C ATOM 806 CG2 ILE B 757 3.588 25.100 -4.384 1.00 0.00 C ATOM 807 CD1 ILE B 757 4.563 24.106 -6.841 1.00 0.00 C ATOM 0 H ILE B 757 6.703 22.664 -3.937 1.00 0.00 H new ATOM 0 HA ILE B 757 5.963 25.306 -3.184 1.00 0.00 H new ATOM 0 HB ILE B 757 4.173 23.036 -4.193 1.00 0.00 H new ATOM 0 HG12 ILE B 757 6.175 24.844 -5.605 1.00 0.00 H new ATOM 0 HG13 ILE B 757 6.076 23.096 -5.673 1.00 0.00 H new ATOM 0 HG21 ILE B 757 2.916 24.905 -5.220 1.00 0.00 H new ATOM 0 HG22 ILE B 757 3.019 25.106 -3.455 1.00 0.00 H new ATOM 0 HG23 ILE B 757 4.067 26.069 -4.522 1.00 0.00 H new ATOM 0 HD11 ILE B 757 5.168 24.107 -7.747 1.00 0.00 H new ATOM 0 HD12 ILE B 757 3.884 23.253 -6.859 1.00 0.00 H new ATOM 0 HD13 ILE B 757 3.985 25.029 -6.790 1.00 0.00 H new ATOM 819 N THR B 758 4.586 22.810 -1.543 1.00 0.00 N ATOM 820 CA THR B 758 3.855 22.452 -0.332 1.00 0.00 C ATOM 821 C THR B 758 4.601 22.948 0.896 1.00 0.00 C ATOM 822 O THR B 758 4.077 22.929 2.009 1.00 0.00 O ATOM 823 CB THR B 758 3.658 20.926 -0.271 1.00 0.00 C ATOM 824 OG1 THR B 758 2.425 20.637 0.368 1.00 0.00 O ATOM 825 CG2 THR B 758 4.797 20.245 0.501 1.00 0.00 C ATOM 0 H THR B 758 4.868 22.015 -2.117 1.00 0.00 H new ATOM 0 HA THR B 758 2.875 22.928 -0.352 1.00 0.00 H new ATOM 0 HB THR B 758 3.657 20.542 -1.291 1.00 0.00 H new ATOM 0 HG1 THR B 758 1.951 19.943 -0.135 1.00 0.00 H new ATOM 0 HG21 THR B 758 4.627 19.169 0.525 1.00 0.00 H new ATOM 0 HG22 THR B 758 5.746 20.452 0.006 1.00 0.00 H new ATOM 0 HG23 THR B 758 4.827 20.631 1.520 1.00 0.00 H new