USER MOD reduce.3.24.130724 H: found=0, std=0, add=358, rem=0, adj=10 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 78:sc= 0.284 USER MOD Single : B 722 HIS : no HD1:sc= -0.0927 K(o=-0.093,f=-0.88) USER MOD Single : B 725 LYS NZ :NH3+ 158:sc= -0.0374 (180deg=-0.328) USER MOD Single : B 729 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0143) USER MOD Single : B 744 ASN : amide:sc= -0.0392 K(o=-0.039,f=-1.9!) USER MOD Single : B 747 TYR OH : rot 180:sc= 0 USER MOD Single : B 748 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 751 THR OG1 : rot -9:sc= 0.108 USER MOD Single : B 752 SER OG : rot 180:sc= 0 USER MOD Single : B 753 THR OG1 : rot 72:sc= 0.285 USER MOD Single : B 755 THR OG1 : rot 180:sc= 0.0056 USER MOD Single : B 756 ASN : amide:sc= -0.0167 K(o=-0.017,f=-1) USER MOD Single : B 758 THR OG1 : rot 170:sc= -4.1! USER MOD ----------------------------------------------------------------- ATOM 12 N PRO B 710 -16.747 -7.886 20.255 1.00 0.00 N ATOM 13 CA PRO B 710 -16.669 -7.497 18.812 1.00 0.00 C ATOM 14 C PRO B 710 -15.234 -7.538 18.282 1.00 0.00 C ATOM 15 O PRO B 710 -14.992 -7.934 17.142 1.00 0.00 O ATOM 16 CB PRO B 710 -17.221 -6.060 18.790 1.00 0.00 C ATOM 17 CG PRO B 710 -18.093 -5.958 19.999 1.00 0.00 C ATOM 18 CD PRO B 710 -17.476 -6.883 21.053 1.00 0.00 C ATOM 0 HA PRO B 710 -17.227 -8.182 18.173 1.00 0.00 H new ATOM 0 HB2 PRO B 710 -16.414 -5.328 18.823 1.00 0.00 H new ATOM 0 HB3 PRO B 710 -17.787 -5.869 17.878 1.00 0.00 H new ATOM 0 HG2 PRO B 710 -18.137 -4.931 20.361 1.00 0.00 H new ATOM 0 HG3 PRO B 710 -19.115 -6.259 19.768 1.00 0.00 H new ATOM 0 HD2 PRO B 710 -16.807 -6.339 21.720 1.00 0.00 H new ATOM 0 HD3 PRO B 710 -18.241 -7.346 21.676 1.00 0.00 H new ATOM 26 N GLU B 711 -14.287 -7.122 19.118 1.00 0.00 N ATOM 27 CA GLU B 711 -12.882 -7.111 18.722 1.00 0.00 C ATOM 28 C GLU B 711 -12.375 -8.530 18.491 1.00 0.00 C ATOM 29 O GLU B 711 -11.597 -8.779 17.570 1.00 0.00 O ATOM 30 CB GLU B 711 -12.039 -6.438 19.809 1.00 0.00 C ATOM 31 CG GLU B 711 -12.435 -4.965 19.932 1.00 0.00 C ATOM 32 CD GLU B 711 -12.003 -4.196 18.686 1.00 0.00 C ATOM 33 OE1 GLU B 711 -11.284 -4.764 17.881 1.00 0.00 O ATOM 34 OE2 GLU B 711 -12.400 -3.051 18.555 1.00 0.00 O ATOM 0 H GLU B 711 -14.464 -6.791 20.066 1.00 0.00 H new ATOM 0 HA GLU B 711 -12.793 -6.551 17.791 1.00 0.00 H new ATOM 0 HB2 GLU B 711 -12.186 -6.945 20.763 1.00 0.00 H new ATOM 0 HB3 GLU B 711 -10.980 -6.520 19.564 1.00 0.00 H new ATOM 0 HG2 GLU B 711 -13.514 -4.881 20.064 1.00 0.00 H new ATOM 0 HG3 GLU B 711 -11.971 -4.529 20.816 1.00 0.00 H new ATOM 41 N CYS B 712 -12.819 -9.455 19.334 1.00 0.00 N ATOM 42 CA CYS B 712 -12.400 -10.846 19.212 1.00 0.00 C ATOM 43 C CYS B 712 -12.873 -11.432 17.889 1.00 0.00 C ATOM 44 O CYS B 712 -12.145 -12.176 17.232 1.00 0.00 O ATOM 45 CB CYS B 712 -12.977 -11.666 20.364 1.00 0.00 C ATOM 46 SG CYS B 712 -12.254 -11.105 21.924 1.00 0.00 S ATOM 0 H CYS B 712 -13.463 -9.270 20.103 1.00 0.00 H new ATOM 0 HA CYS B 712 -11.311 -10.882 19.247 1.00 0.00 H new ATOM 0 HB2 CYS B 712 -14.061 -11.558 20.394 1.00 0.00 H new ATOM 0 HB3 CYS B 712 -12.766 -12.725 20.213 1.00 0.00 H new ATOM 0 HG CYS B 712 -12.746 -11.801 22.906 1.00 0.00 H new ATOM 52 N LEU B 713 -14.096 -11.094 17.505 1.00 0.00 N ATOM 53 CA LEU B 713 -14.654 -11.597 16.259 1.00 0.00 C ATOM 54 C LEU B 713 -13.837 -11.112 15.071 1.00 0.00 C ATOM 55 O LEU B 713 -13.552 -11.876 14.148 1.00 0.00 O ATOM 56 CB LEU B 713 -16.109 -11.130 16.113 1.00 0.00 C ATOM 57 CG LEU B 713 -16.710 -11.648 14.777 1.00 0.00 C ATOM 58 CD1 LEU B 713 -18.145 -12.142 15.001 1.00 0.00 C ATOM 59 CD2 LEU B 713 -16.737 -10.521 13.730 1.00 0.00 C ATOM 0 H LEU B 713 -14.715 -10.479 18.033 1.00 0.00 H new ATOM 0 HA LEU B 713 -14.623 -12.686 16.281 1.00 0.00 H new ATOM 0 HB2 LEU B 713 -16.701 -11.495 16.952 1.00 0.00 H new ATOM 0 HB3 LEU B 713 -16.153 -10.041 16.142 1.00 0.00 H new ATOM 0 HG LEU B 713 -16.087 -12.467 14.419 1.00 0.00 H new ATOM 0 HD11 LEU B 713 -18.557 -12.503 14.059 1.00 0.00 H new ATOM 0 HD12 LEU B 713 -18.141 -12.953 15.729 1.00 0.00 H new ATOM 0 HD13 LEU B 713 -18.758 -11.322 15.374 1.00 0.00 H new ATOM 0 HD21 LEU B 713 -17.161 -10.899 12.799 1.00 0.00 H new ATOM 0 HD22 LEU B 713 -17.348 -9.697 14.098 1.00 0.00 H new ATOM 0 HD23 LEU B 713 -15.722 -10.168 13.549 1.00 0.00 H new ATOM 71 N ILE B 714 -13.462 -9.838 15.096 1.00 0.00 N ATOM 72 CA ILE B 714 -12.678 -9.263 14.011 1.00 0.00 C ATOM 73 C ILE B 714 -11.314 -9.941 13.925 1.00 0.00 C ATOM 74 O ILE B 714 -10.838 -10.260 12.836 1.00 0.00 O ATOM 75 CB ILE B 714 -12.495 -7.759 14.242 1.00 0.00 C ATOM 76 CG1 ILE B 714 -13.847 -7.056 14.107 1.00 0.00 C ATOM 77 CG2 ILE B 714 -11.523 -7.190 13.204 1.00 0.00 C ATOM 78 CD1 ILE B 714 -13.728 -5.618 14.618 1.00 0.00 C ATOM 0 H ILE B 714 -13.686 -9.188 15.850 1.00 0.00 H new ATOM 0 HA ILE B 714 -13.209 -9.422 13.073 1.00 0.00 H new ATOM 0 HB ILE B 714 -12.093 -7.595 15.242 1.00 0.00 H new ATOM 0 HG12 ILE B 714 -14.167 -7.058 13.065 1.00 0.00 H new ATOM 0 HG13 ILE B 714 -14.607 -7.593 14.675 1.00 0.00 H new ATOM 0 HG21 ILE B 714 -11.396 -6.121 13.372 1.00 0.00 H new ATOM 0 HG22 ILE B 714 -10.558 -7.689 13.297 1.00 0.00 H new ATOM 0 HG23 ILE B 714 -11.922 -7.355 12.203 1.00 0.00 H new ATOM 0 HD11 ILE B 714 -14.691 -5.117 14.522 1.00 0.00 H new ATOM 0 HD12 ILE B 714 -13.427 -5.628 15.666 1.00 0.00 H new ATOM 0 HD13 ILE B 714 -12.981 -5.084 14.031 1.00 0.00 H new ATOM 90 N TRP B 715 -10.690 -10.151 15.079 1.00 0.00 N ATOM 91 CA TRP B 715 -9.378 -10.784 15.120 1.00 0.00 C ATOM 92 C TRP B 715 -9.434 -12.169 14.481 1.00 0.00 C ATOM 93 O TRP B 715 -8.579 -12.523 13.670 1.00 0.00 O ATOM 94 CB TRP B 715 -8.905 -10.907 16.571 1.00 0.00 C ATOM 95 CG TRP B 715 -7.604 -11.643 16.613 1.00 0.00 C ATOM 96 CD1 TRP B 715 -7.435 -12.896 17.094 1.00 0.00 C ATOM 97 CD2 TRP B 715 -6.294 -11.196 16.163 1.00 0.00 C ATOM 98 NE1 TRP B 715 -6.102 -13.246 16.967 1.00 0.00 N ATOM 99 CE2 TRP B 715 -5.359 -12.232 16.399 1.00 0.00 C ATOM 100 CE3 TRP B 715 -5.830 -10.004 15.578 1.00 0.00 C ATOM 101 CZ2 TRP B 715 -4.011 -12.088 16.066 1.00 0.00 C ATOM 102 CZ3 TRP B 715 -4.475 -9.857 15.242 1.00 0.00 C ATOM 103 CH2 TRP B 715 -3.567 -10.897 15.485 1.00 0.00 C ATOM 0 H TRP B 715 -11.068 -9.894 15.991 1.00 0.00 H new ATOM 0 HA TRP B 715 -8.676 -10.166 14.560 1.00 0.00 H new ATOM 0 HB2 TRP B 715 -8.789 -9.917 17.012 1.00 0.00 H new ATOM 0 HB3 TRP B 715 -9.652 -11.434 17.164 1.00 0.00 H new ATOM 0 HD1 TRP B 715 -8.212 -13.520 17.509 1.00 0.00 H new ATOM 0 HE1 TRP B 715 -5.716 -14.144 17.258 1.00 0.00 H new ATOM 0 HE3 TRP B 715 -6.521 -9.196 15.386 1.00 0.00 H new ATOM 0 HZ2 TRP B 715 -3.315 -12.892 16.256 1.00 0.00 H new ATOM 0 HZ3 TRP B 715 -4.130 -8.937 14.794 1.00 0.00 H new ATOM 0 HH2 TRP B 715 -2.526 -10.778 15.224 1.00 0.00 H new ATOM 114 N LYS B 716 -10.447 -12.942 14.847 1.00 0.00 N ATOM 115 CA LYS B 716 -10.606 -14.284 14.303 1.00 0.00 C ATOM 116 C LYS B 716 -10.795 -14.229 12.794 1.00 0.00 C ATOM 117 O LYS B 716 -10.323 -15.103 12.067 1.00 0.00 O ATOM 118 CB LYS B 716 -11.816 -14.970 14.942 1.00 0.00 C ATOM 119 CG LYS B 716 -11.902 -16.419 14.454 1.00 0.00 C ATOM 120 CD LYS B 716 -13.078 -17.119 15.138 1.00 0.00 C ATOM 121 CE LYS B 716 -13.152 -18.572 14.664 1.00 0.00 C ATOM 122 NZ LYS B 716 -14.290 -19.258 15.338 1.00 0.00 N ATOM 0 H LYS B 716 -11.167 -12.666 15.514 1.00 0.00 H new ATOM 0 HA LYS B 716 -9.704 -14.854 14.528 1.00 0.00 H new ATOM 0 HB2 LYS B 716 -11.729 -14.946 16.028 1.00 0.00 H new ATOM 0 HB3 LYS B 716 -12.729 -14.434 14.684 1.00 0.00 H new ATOM 0 HG2 LYS B 716 -12.031 -16.442 13.372 1.00 0.00 H new ATOM 0 HG3 LYS B 716 -10.973 -16.944 14.676 1.00 0.00 H new ATOM 0 HD2 LYS B 716 -12.956 -17.084 16.221 1.00 0.00 H new ATOM 0 HD3 LYS B 716 -14.009 -16.601 14.905 1.00 0.00 H new ATOM 0 HE2 LYS B 716 -13.282 -18.606 13.582 1.00 0.00 H new ATOM 0 HE3 LYS B 716 -12.218 -19.087 14.889 1.00 0.00 H new ATOM 0 HZ1 LYS B 716 -14.340 -20.246 15.016 1.00 0.00 H new ATOM 0 HZ2 LYS B 716 -14.147 -19.237 16.368 1.00 0.00 H new ATOM 0 HZ3 LYS B 716 -15.178 -18.771 15.101 1.00 0.00 H new ATOM 136 N LEU B 717 -11.492 -13.202 12.330 1.00 0.00 N ATOM 137 CA LEU B 717 -11.743 -13.052 10.905 1.00 0.00 C ATOM 138 C LEU B 717 -10.425 -12.897 10.156 1.00 0.00 C ATOM 139 O LEU B 717 -10.247 -13.456 9.074 1.00 0.00 O ATOM 140 CB LEU B 717 -12.621 -11.822 10.650 1.00 0.00 C ATOM 141 CG LEU B 717 -13.080 -11.790 9.179 1.00 0.00 C ATOM 142 CD1 LEU B 717 -14.246 -12.766 8.957 1.00 0.00 C ATOM 143 CD2 LEU B 717 -13.535 -10.372 8.817 1.00 0.00 C ATOM 0 H LEU B 717 -11.890 -12.467 12.914 1.00 0.00 H new ATOM 0 HA LEU B 717 -12.260 -13.943 10.547 1.00 0.00 H new ATOM 0 HB2 LEU B 717 -13.489 -11.843 11.309 1.00 0.00 H new ATOM 0 HB3 LEU B 717 -12.065 -10.914 10.885 1.00 0.00 H new ATOM 0 HG LEU B 717 -12.244 -12.087 8.546 1.00 0.00 H new ATOM 0 HD11 LEU B 717 -14.557 -12.730 7.913 1.00 0.00 H new ATOM 0 HD12 LEU B 717 -13.926 -13.778 9.206 1.00 0.00 H new ATOM 0 HD13 LEU B 717 -15.083 -12.483 9.595 1.00 0.00 H new ATOM 0 HD21 LEU B 717 -13.860 -10.349 7.777 1.00 0.00 H new ATOM 0 HD22 LEU B 717 -14.363 -10.080 9.462 1.00 0.00 H new ATOM 0 HD23 LEU B 717 -12.706 -9.678 8.954 1.00 0.00 H new ATOM 155 N LEU B 718 -9.505 -12.135 10.734 1.00 0.00 N ATOM 156 CA LEU B 718 -8.210 -11.915 10.103 1.00 0.00 C ATOM 157 C LEU B 718 -7.471 -13.237 9.937 1.00 0.00 C ATOM 158 O LEU B 718 -6.851 -13.485 8.904 1.00 0.00 O ATOM 159 CB LEU B 718 -7.367 -10.954 10.948 1.00 0.00 C ATOM 160 CG LEU B 718 -5.982 -10.755 10.310 1.00 0.00 C ATOM 161 CD1 LEU B 718 -6.126 -10.223 8.875 1.00 0.00 C ATOM 162 CD2 LEU B 718 -5.177 -9.761 11.157 1.00 0.00 C ATOM 0 H LEU B 718 -9.629 -11.663 11.630 1.00 0.00 H new ATOM 0 HA LEU B 718 -8.375 -11.475 9.119 1.00 0.00 H new ATOM 0 HB2 LEU B 718 -7.876 -9.994 11.035 1.00 0.00 H new ATOM 0 HB3 LEU B 718 -7.256 -11.349 11.958 1.00 0.00 H new ATOM 0 HG LEU B 718 -5.462 -11.712 10.273 1.00 0.00 H new ATOM 0 HD11 LEU B 718 -5.137 -10.087 8.436 1.00 0.00 H new ATOM 0 HD12 LEU B 718 -6.693 -10.937 8.278 1.00 0.00 H new ATOM 0 HD13 LEU B 718 -6.650 -9.267 8.892 1.00 0.00 H new ATOM 0 HD21 LEU B 718 -4.194 -9.615 10.710 1.00 0.00 H new ATOM 0 HD22 LEU B 718 -5.703 -8.807 11.196 1.00 0.00 H new ATOM 0 HD23 LEU B 718 -5.062 -10.154 12.167 1.00 0.00 H new ATOM 174 N ILE B 719 -7.526 -14.074 10.967 1.00 0.00 N ATOM 175 CA ILE B 719 -6.843 -15.361 10.923 1.00 0.00 C ATOM 176 C ILE B 719 -7.402 -16.226 9.799 1.00 0.00 C ATOM 177 O ILE B 719 -6.650 -16.842 9.044 1.00 0.00 O ATOM 178 CB ILE B 719 -7.012 -16.085 12.259 1.00 0.00 C ATOM 179 CG1 ILE B 719 -6.521 -15.181 13.393 1.00 0.00 C ATOM 180 CG2 ILE B 719 -6.194 -17.377 12.247 1.00 0.00 C ATOM 181 CD1 ILE B 719 -6.840 -15.823 14.746 1.00 0.00 C ATOM 0 H ILE B 719 -8.031 -13.887 11.834 1.00 0.00 H new ATOM 0 HA ILE B 719 -5.784 -15.184 10.736 1.00 0.00 H new ATOM 0 HB ILE B 719 -8.064 -16.324 12.413 1.00 0.00 H new ATOM 0 HG12 ILE B 719 -5.447 -15.019 13.302 1.00 0.00 H new ATOM 0 HG13 ILE B 719 -6.998 -14.203 13.323 1.00 0.00 H new ATOM 0 HG21 ILE B 719 -6.315 -17.893 13.200 1.00 0.00 H new ATOM 0 HG22 ILE B 719 -6.542 -18.021 11.439 1.00 0.00 H new ATOM 0 HG23 ILE B 719 -5.141 -17.140 12.094 1.00 0.00 H new ATOM 0 HD11 ILE B 719 -6.488 -15.175 15.548 1.00 0.00 H new ATOM 0 HD12 ILE B 719 -7.917 -15.962 14.838 1.00 0.00 H new ATOM 0 HD13 ILE B 719 -6.342 -16.790 14.816 1.00 0.00 H new ATOM 193 N THR B 720 -8.724 -16.270 9.695 1.00 0.00 N ATOM 194 CA THR B 720 -9.372 -17.062 8.658 1.00 0.00 C ATOM 195 C THR B 720 -8.986 -16.554 7.272 1.00 0.00 C ATOM 196 O THR B 720 -8.656 -17.338 6.383 1.00 0.00 O ATOM 197 CB THR B 720 -10.891 -16.999 8.824 1.00 0.00 C ATOM 198 OG1 THR B 720 -11.231 -17.276 10.176 1.00 0.00 O ATOM 199 CG2 THR B 720 -11.552 -18.029 7.907 1.00 0.00 C ATOM 0 H THR B 720 -9.365 -15.770 10.311 1.00 0.00 H new ATOM 0 HA THR B 720 -9.039 -18.095 8.757 1.00 0.00 H new ATOM 0 HB THR B 720 -11.244 -16.003 8.558 1.00 0.00 H new ATOM 0 HG1 THR B 720 -11.061 -16.482 10.725 1.00 0.00 H new ATOM 0 HG21 THR B 720 -12.634 -17.982 8.027 1.00 0.00 H new ATOM 0 HG22 THR B 720 -11.292 -17.813 6.871 1.00 0.00 H new ATOM 0 HG23 THR B 720 -11.201 -19.027 8.168 1.00 0.00 H new ATOM 207 N ILE B 721 -9.036 -15.237 7.096 1.00 0.00 N ATOM 208 CA ILE B 721 -8.693 -14.634 5.812 1.00 0.00 C ATOM 209 C ILE B 721 -7.226 -14.890 5.475 1.00 0.00 C ATOM 210 O ILE B 721 -6.890 -15.232 4.342 1.00 0.00 O ATOM 211 CB ILE B 721 -8.954 -13.125 5.861 1.00 0.00 C ATOM 212 CG1 ILE B 721 -10.458 -12.873 5.983 1.00 0.00 C ATOM 213 CG2 ILE B 721 -8.435 -12.471 4.576 1.00 0.00 C ATOM 214 CD1 ILE B 721 -10.702 -11.399 6.313 1.00 0.00 C ATOM 0 H ILE B 721 -9.308 -14.572 7.819 1.00 0.00 H new ATOM 0 HA ILE B 721 -9.314 -15.086 5.039 1.00 0.00 H new ATOM 0 HB ILE B 721 -8.438 -12.697 6.721 1.00 0.00 H new ATOM 0 HG12 ILE B 721 -10.959 -13.136 5.051 1.00 0.00 H new ATOM 0 HG13 ILE B 721 -10.882 -13.506 6.762 1.00 0.00 H new ATOM 0 HG21 ILE B 721 -8.622 -11.398 4.613 1.00 0.00 H new ATOM 0 HG22 ILE B 721 -7.364 -12.650 4.484 1.00 0.00 H new ATOM 0 HG23 ILE B 721 -8.950 -12.899 3.716 1.00 0.00 H new ATOM 0 HD11 ILE B 721 -11.773 -11.218 6.400 1.00 0.00 H new ATOM 0 HD12 ILE B 721 -10.214 -11.152 7.256 1.00 0.00 H new ATOM 0 HD13 ILE B 721 -10.292 -10.776 5.518 1.00 0.00 H new ATOM 226 N HIS B 722 -6.359 -14.717 6.467 1.00 0.00 N ATOM 227 CA HIS B 722 -4.930 -14.927 6.268 1.00 0.00 C ATOM 228 C HIS B 722 -4.654 -16.371 5.865 1.00 0.00 C ATOM 229 O HIS B 722 -3.701 -16.654 5.141 1.00 0.00 O ATOM 230 CB HIS B 722 -4.165 -14.591 7.550 1.00 0.00 C ATOM 231 CG HIS B 722 -2.688 -14.593 7.265 1.00 0.00 C ATOM 232 ND1 HIS B 722 -1.932 -15.755 7.278 1.00 0.00 N ATOM 233 CD2 HIS B 722 -1.812 -13.579 6.958 1.00 0.00 C ATOM 234 CE1 HIS B 722 -0.663 -15.416 6.986 1.00 0.00 C ATOM 235 NE2 HIS B 722 -0.535 -14.102 6.783 1.00 0.00 N ATOM 0 H HIS B 722 -6.619 -14.434 7.412 1.00 0.00 H new ATOM 0 HA HIS B 722 -4.593 -14.269 5.467 1.00 0.00 H new ATOM 0 HB2 HIS B 722 -4.473 -13.615 7.925 1.00 0.00 H new ATOM 0 HB3 HIS B 722 -4.398 -15.319 8.327 1.00 0.00 H new ATOM 0 HD2 HIS B 722 -2.075 -12.536 6.867 1.00 0.00 H new ATOM 0 HE1 HIS B 722 0.153 -16.121 6.923 1.00 0.00 H new ATOM 0 HE2 HIS B 722 0.317 -13.591 6.550 1.00 0.00 H new ATOM 244 N ASP B 723 -5.496 -17.282 6.345 1.00 0.00 N ATOM 245 CA ASP B 723 -5.334 -18.697 6.033 1.00 0.00 C ATOM 246 C ASP B 723 -5.644 -18.962 4.563 1.00 0.00 C ATOM 247 O ASP B 723 -5.036 -19.832 3.939 1.00 0.00 O ATOM 248 CB ASP B 723 -6.265 -19.535 6.912 1.00 0.00 C ATOM 249 CG ASP B 723 -5.875 -21.007 6.832 1.00 0.00 C ATOM 250 OD1 ASP B 723 -4.755 -21.283 6.436 1.00 0.00 O ATOM 251 OD2 ASP B 723 -6.703 -21.837 7.168 1.00 0.00 O ATOM 0 H ASP B 723 -6.291 -17.067 6.947 1.00 0.00 H new ATOM 0 HA ASP B 723 -4.299 -18.976 6.230 1.00 0.00 H new ATOM 0 HB2 ASP B 723 -6.210 -19.192 7.945 1.00 0.00 H new ATOM 0 HB3 ASP B 723 -7.298 -19.406 6.588 1.00 0.00 H new ATOM 256 N ARG B 724 -6.594 -18.210 4.015 1.00 0.00 N ATOM 257 CA ARG B 724 -6.972 -18.380 2.617 1.00 0.00 C ATOM 258 C ARG B 724 -5.840 -17.932 1.697 1.00 0.00 C ATOM 259 O ARG B 724 -5.277 -16.851 1.868 1.00 0.00 O ATOM 260 CB ARG B 724 -8.226 -17.559 2.315 1.00 0.00 C ATOM 261 CG ARG B 724 -9.427 -18.175 3.034 1.00 0.00 C ATOM 262 CD ARG B 724 -10.673 -17.333 2.758 1.00 0.00 C ATOM 263 NE ARG B 724 -11.825 -17.896 3.454 1.00 0.00 N ATOM 264 CZ ARG B 724 -12.554 -18.866 2.909 1.00 0.00 C ATOM 265 NH1 ARG B 724 -12.243 -19.334 1.731 1.00 0.00 N ATOM 266 NH2 ARG B 724 -13.579 -19.353 3.554 1.00 0.00 N ATOM 0 H ARG B 724 -7.111 -17.485 4.512 1.00 0.00 H new ATOM 0 HA ARG B 724 -7.174 -19.436 2.440 1.00 0.00 H new ATOM 0 HB2 ARG B 724 -8.085 -16.528 2.639 1.00 0.00 H new ATOM 0 HB3 ARG B 724 -8.406 -17.534 1.240 1.00 0.00 H new ATOM 0 HG2 ARG B 724 -9.583 -19.198 2.692 1.00 0.00 H new ATOM 0 HG3 ARG B 724 -9.237 -18.223 4.106 1.00 0.00 H new ATOM 0 HD2 ARG B 724 -10.507 -16.307 3.085 1.00 0.00 H new ATOM 0 HD3 ARG B 724 -10.868 -17.298 1.686 1.00 0.00 H new ATOM 0 HE ARG B 724 -12.076 -17.539 4.376 1.00 0.00 H new ATOM 0 HH11 ARG B 724 -11.440 -18.956 1.228 1.00 0.00 H new ATOM 0 HH12 ARG B 724 -12.802 -20.078 1.314 1.00 0.00 H new ATOM 0 HH21 ARG B 724 -13.821 -18.990 4.476 1.00 0.00 H new ATOM 0 HH22 ARG B 724 -14.138 -20.097 3.136 1.00 0.00 H new ATOM 280 N LYS B 725 -5.510 -18.774 0.723 1.00 0.00 N ATOM 281 CA LYS B 725 -4.442 -18.463 -0.219 1.00 0.00 C ATOM 282 C LYS B 725 -4.921 -17.463 -1.265 1.00 0.00 C ATOM 283 O LYS B 725 -4.118 -16.766 -1.886 1.00 0.00 O ATOM 284 CB LYS B 725 -3.975 -19.745 -0.910 1.00 0.00 C ATOM 285 CG LYS B 725 -3.513 -20.767 0.137 1.00 0.00 C ATOM 286 CD LYS B 725 -2.235 -20.279 0.835 1.00 0.00 C ATOM 287 CE LYS B 725 -1.541 -21.463 1.516 1.00 0.00 C ATOM 288 NZ LYS B 725 -0.885 -22.312 0.483 1.00 0.00 N ATOM 0 H LYS B 725 -5.965 -19.673 0.566 1.00 0.00 H new ATOM 0 HA LYS B 725 -3.612 -18.020 0.331 1.00 0.00 H new ATOM 0 HB2 LYS B 725 -4.787 -20.163 -1.505 1.00 0.00 H new ATOM 0 HB3 LYS B 725 -3.159 -19.521 -1.597 1.00 0.00 H new ATOM 0 HG2 LYS B 725 -4.301 -20.923 0.874 1.00 0.00 H new ATOM 0 HG3 LYS B 725 -3.329 -21.729 -0.341 1.00 0.00 H new ATOM 0 HD2 LYS B 725 -1.564 -19.819 0.109 1.00 0.00 H new ATOM 0 HD3 LYS B 725 -2.480 -19.514 1.572 1.00 0.00 H new ATOM 0 HE2 LYS B 725 -0.801 -21.103 2.231 1.00 0.00 H new ATOM 0 HE3 LYS B 725 -2.267 -22.050 2.078 1.00 0.00 H new ATOM 0 HZ1 LYS B 725 -0.129 -22.874 0.924 1.00 0.00 H new ATOM 0 HZ2 LYS B 725 -1.589 -22.950 0.060 1.00 0.00 H new ATOM 0 HZ3 LYS B 725 -0.478 -21.706 -0.258 1.00 0.00 H new ATOM 302 N GLU B 726 -6.232 -17.402 -1.461 1.00 0.00 N ATOM 303 CA GLU B 726 -6.802 -16.487 -2.442 1.00 0.00 C ATOM 304 C GLU B 726 -6.449 -15.042 -2.098 1.00 0.00 C ATOM 305 O GLU B 726 -6.057 -14.267 -2.969 1.00 0.00 O ATOM 306 CB GLU B 726 -8.326 -16.650 -2.477 1.00 0.00 C ATOM 307 CG GLU B 726 -8.682 -18.047 -2.995 1.00 0.00 C ATOM 308 CD GLU B 726 -8.275 -18.184 -4.458 1.00 0.00 C ATOM 309 OE1 GLU B 726 -8.128 -17.164 -5.111 1.00 0.00 O ATOM 310 OE2 GLU B 726 -8.117 -19.309 -4.906 1.00 0.00 O ATOM 0 H GLU B 726 -6.915 -17.969 -0.959 1.00 0.00 H new ATOM 0 HA GLU B 726 -6.386 -16.725 -3.421 1.00 0.00 H new ATOM 0 HB2 GLU B 726 -8.740 -16.505 -1.479 1.00 0.00 H new ATOM 0 HB3 GLU B 726 -8.769 -15.889 -3.120 1.00 0.00 H new ATOM 0 HG2 GLU B 726 -8.176 -18.805 -2.397 1.00 0.00 H new ATOM 0 HG3 GLU B 726 -9.753 -18.220 -2.890 1.00 0.00 H new ATOM 317 N PHE B 727 -6.579 -14.691 -0.823 1.00 0.00 N ATOM 318 CA PHE B 727 -6.259 -13.343 -0.378 1.00 0.00 C ATOM 319 C PHE B 727 -4.766 -13.068 -0.530 1.00 0.00 C ATOM 320 O PHE B 727 -4.364 -11.970 -0.915 1.00 0.00 O ATOM 321 CB PHE B 727 -6.676 -13.176 1.084 1.00 0.00 C ATOM 322 CG PHE B 727 -8.181 -13.054 1.171 1.00 0.00 C ATOM 323 CD1 PHE B 727 -8.984 -14.189 1.021 1.00 0.00 C ATOM 324 CD2 PHE B 727 -8.771 -11.805 1.406 1.00 0.00 C ATOM 325 CE1 PHE B 727 -10.378 -14.077 1.103 1.00 0.00 C ATOM 326 CE2 PHE B 727 -10.165 -11.693 1.487 1.00 0.00 C ATOM 327 CZ PHE B 727 -10.968 -12.830 1.336 1.00 0.00 C ATOM 0 H PHE B 727 -6.902 -15.317 -0.085 1.00 0.00 H new ATOM 0 HA PHE B 727 -6.804 -12.629 -0.995 1.00 0.00 H new ATOM 0 HB2 PHE B 727 -6.336 -14.030 1.670 1.00 0.00 H new ATOM 0 HB3 PHE B 727 -6.204 -12.290 1.509 1.00 0.00 H new ATOM 0 HD1 PHE B 727 -8.529 -15.152 0.842 1.00 0.00 H new ATOM 0 HD2 PHE B 727 -8.151 -10.929 1.525 1.00 0.00 H new ATOM 0 HE1 PHE B 727 -10.998 -14.954 0.986 1.00 0.00 H new ATOM 0 HE2 PHE B 727 -10.620 -10.730 1.666 1.00 0.00 H new ATOM 0 HZ PHE B 727 -12.043 -12.744 1.399 1.00 0.00 H new ATOM 337 N ALA B 728 -3.951 -14.068 -0.221 1.00 0.00 N ATOM 338 CA ALA B 728 -2.504 -13.918 -0.325 1.00 0.00 C ATOM 339 C ALA B 728 -2.099 -13.545 -1.748 1.00 0.00 C ATOM 340 O ALA B 728 -1.278 -12.654 -1.951 1.00 0.00 O ATOM 341 CB ALA B 728 -1.815 -15.220 0.085 1.00 0.00 C ATOM 0 H ALA B 728 -4.263 -14.984 0.101 1.00 0.00 H new ATOM 0 HA ALA B 728 -2.192 -13.117 0.345 1.00 0.00 H new ATOM 0 HB1 ALA B 728 -0.735 -15.101 0.005 1.00 0.00 H new ATOM 0 HB2 ALA B 728 -2.078 -15.462 1.115 1.00 0.00 H new ATOM 0 HB3 ALA B 728 -2.141 -16.027 -0.572 1.00 0.00 H new ATOM 347 N LYS B 729 -2.683 -14.222 -2.732 1.00 0.00 N ATOM 348 CA LYS B 729 -2.376 -13.949 -4.117 1.00 0.00 C ATOM 349 C LYS B 729 -2.763 -12.514 -4.476 1.00 0.00 C ATOM 350 O LYS B 729 -2.003 -11.803 -5.132 1.00 0.00 O ATOM 351 CB LYS B 729 -3.142 -14.933 -4.999 1.00 0.00 C ATOM 352 CG LYS B 729 -2.726 -14.726 -6.445 1.00 0.00 C ATOM 353 CD LYS B 729 -3.441 -15.736 -7.347 1.00 0.00 C ATOM 354 CE LYS B 729 -3.004 -15.530 -8.801 1.00 0.00 C ATOM 355 NZ LYS B 729 -1.655 -16.129 -9.009 1.00 0.00 N ATOM 0 H LYS B 729 -3.370 -14.962 -2.588 1.00 0.00 H new ATOM 0 HA LYS B 729 -1.304 -14.066 -4.279 1.00 0.00 H new ATOM 0 HB2 LYS B 729 -2.933 -15.957 -4.690 1.00 0.00 H new ATOM 0 HB3 LYS B 729 -4.216 -14.780 -4.890 1.00 0.00 H new ATOM 0 HG2 LYS B 729 -2.968 -13.711 -6.759 1.00 0.00 H new ATOM 0 HG3 LYS B 729 -1.646 -14.841 -6.541 1.00 0.00 H new ATOM 0 HD2 LYS B 729 -3.208 -16.752 -7.028 1.00 0.00 H new ATOM 0 HD3 LYS B 729 -4.521 -15.614 -7.261 1.00 0.00 H new ATOM 0 HE2 LYS B 729 -3.725 -15.990 -9.476 1.00 0.00 H new ATOM 0 HE3 LYS B 729 -2.981 -14.466 -9.037 1.00 0.00 H new ATOM 0 HZ1 LYS B 729 -1.404 -16.078 -10.017 1.00 0.00 H new ATOM 0 HZ2 LYS B 729 -0.952 -15.604 -8.451 1.00 0.00 H new ATOM 0 HZ3 LYS B 729 -1.666 -17.123 -8.705 1.00 0.00 H new ATOM 369 N PHE B 730 -3.944 -12.094 -4.035 1.00 0.00 N ATOM 370 CA PHE B 730 -4.415 -10.746 -4.314 1.00 0.00 C ATOM 371 C PHE B 730 -3.469 -9.715 -3.708 1.00 0.00 C ATOM 372 O PHE B 730 -3.105 -8.736 -4.359 1.00 0.00 O ATOM 373 CB PHE B 730 -5.820 -10.558 -3.741 1.00 0.00 C ATOM 374 CG PHE B 730 -6.285 -9.150 -4.013 1.00 0.00 C ATOM 375 CD1 PHE B 730 -6.730 -8.797 -5.292 1.00 0.00 C ATOM 376 CD2 PHE B 730 -6.269 -8.197 -2.989 1.00 0.00 C ATOM 377 CE1 PHE B 730 -7.161 -7.491 -5.546 1.00 0.00 C ATOM 378 CE2 PHE B 730 -6.699 -6.892 -3.242 1.00 0.00 C ATOM 379 CZ PHE B 730 -7.145 -6.537 -4.521 1.00 0.00 C ATOM 0 H PHE B 730 -4.587 -12.665 -3.487 1.00 0.00 H new ATOM 0 HA PHE B 730 -4.443 -10.603 -5.394 1.00 0.00 H new ATOM 0 HB2 PHE B 730 -6.508 -11.274 -4.192 1.00 0.00 H new ATOM 0 HB3 PHE B 730 -5.817 -10.751 -2.668 1.00 0.00 H new ATOM 0 HD1 PHE B 730 -6.741 -9.533 -6.083 1.00 0.00 H new ATOM 0 HD2 PHE B 730 -5.924 -8.470 -2.003 1.00 0.00 H new ATOM 0 HE1 PHE B 730 -7.506 -7.218 -6.532 1.00 0.00 H new ATOM 0 HE2 PHE B 730 -6.687 -6.157 -2.451 1.00 0.00 H new ATOM 0 HZ PHE B 730 -7.476 -5.528 -4.717 1.00 0.00 H new ATOM 389 N GLU B 731 -3.073 -9.943 -2.459 1.00 0.00 N ATOM 390 CA GLU B 731 -2.166 -9.023 -1.782 1.00 0.00 C ATOM 391 C GLU B 731 -0.843 -8.916 -2.535 1.00 0.00 C ATOM 392 O GLU B 731 -0.354 -7.816 -2.787 1.00 0.00 O ATOM 393 CB GLU B 731 -1.904 -9.501 -0.352 1.00 0.00 C ATOM 394 CG GLU B 731 -3.164 -9.312 0.495 1.00 0.00 C ATOM 395 CD GLU B 731 -2.925 -9.842 1.904 1.00 0.00 C ATOM 396 OE1 GLU B 731 -1.824 -10.300 2.164 1.00 0.00 O ATOM 397 OE2 GLU B 731 -3.844 -9.781 2.704 1.00 0.00 O ATOM 0 H GLU B 731 -3.362 -10.747 -1.901 1.00 0.00 H new ATOM 0 HA GLU B 731 -2.635 -8.039 -1.756 1.00 0.00 H new ATOM 0 HB2 GLU B 731 -1.612 -10.551 -0.357 1.00 0.00 H new ATOM 0 HB3 GLU B 731 -1.075 -8.942 0.082 1.00 0.00 H new ATOM 0 HG2 GLU B 731 -3.431 -8.256 0.535 1.00 0.00 H new ATOM 0 HG3 GLU B 731 -4.003 -9.836 0.037 1.00 0.00 H new ATOM 404 N GLU B 732 -0.270 -10.059 -2.897 1.00 0.00 N ATOM 405 CA GLU B 732 0.991 -10.065 -3.623 1.00 0.00 C ATOM 406 C GLU B 732 0.827 -9.414 -4.990 1.00 0.00 C ATOM 407 O GLU B 732 1.695 -8.668 -5.442 1.00 0.00 O ATOM 408 CB GLU B 732 1.470 -11.495 -3.793 1.00 0.00 C ATOM 409 CG GLU B 732 1.795 -12.072 -2.419 1.00 0.00 C ATOM 410 CD GLU B 732 3.018 -11.379 -1.822 1.00 0.00 C ATOM 411 OE1 GLU B 732 3.772 -10.793 -2.581 1.00 0.00 O ATOM 412 OE2 GLU B 732 3.182 -11.447 -0.615 1.00 0.00 O ATOM 0 H GLU B 732 -0.655 -10.983 -2.701 1.00 0.00 H new ATOM 0 HA GLU B 732 1.726 -9.496 -3.054 1.00 0.00 H new ATOM 0 HB2 GLU B 732 0.702 -12.094 -4.282 1.00 0.00 H new ATOM 0 HB3 GLU B 732 2.352 -11.524 -4.433 1.00 0.00 H new ATOM 0 HG2 GLU B 732 0.940 -11.948 -1.755 1.00 0.00 H new ATOM 0 HG3 GLU B 732 1.981 -13.143 -2.503 1.00 0.00 H new ATOM 419 N GLU B 733 -0.295 -9.701 -5.642 1.00 0.00 N ATOM 420 CA GLU B 733 -0.565 -9.138 -6.960 1.00 0.00 C ATOM 421 C GLU B 733 -0.723 -7.624 -6.868 1.00 0.00 C ATOM 422 O GLU B 733 -0.317 -6.897 -7.767 1.00 0.00 O ATOM 423 CB GLU B 733 -1.837 -9.760 -7.546 1.00 0.00 C ATOM 424 CG GLU B 733 -2.063 -9.230 -8.965 1.00 0.00 C ATOM 425 CD GLU B 733 -3.281 -9.909 -9.587 1.00 0.00 C ATOM 426 OE1 GLU B 733 -4.001 -10.572 -8.860 1.00 0.00 O ATOM 427 OE2 GLU B 733 -3.473 -9.757 -10.783 1.00 0.00 O ATOM 0 H GLU B 733 -1.026 -10.315 -5.283 1.00 0.00 H new ATOM 0 HA GLU B 733 0.277 -9.364 -7.614 1.00 0.00 H new ATOM 0 HB2 GLU B 733 -1.748 -10.846 -7.563 1.00 0.00 H new ATOM 0 HB3 GLU B 733 -2.694 -9.520 -6.917 1.00 0.00 H new ATOM 0 HG2 GLU B 733 -2.211 -8.150 -8.940 1.00 0.00 H new ATOM 0 HG3 GLU B 733 -1.180 -9.416 -9.577 1.00 0.00 H new ATOM 434 N ARG B 734 -1.313 -7.149 -5.781 1.00 0.00 N ATOM 435 CA ARG B 734 -1.503 -5.723 -5.604 1.00 0.00 C ATOM 436 C ARG B 734 -0.155 -5.010 -5.541 1.00 0.00 C ATOM 437 O ARG B 734 0.015 -3.929 -6.104 1.00 0.00 O ATOM 438 CB ARG B 734 -2.283 -5.472 -4.321 1.00 0.00 C ATOM 439 CG ARG B 734 -2.787 -4.033 -4.310 1.00 0.00 C ATOM 440 CD ARG B 734 -3.620 -3.806 -3.053 1.00 0.00 C ATOM 441 NE ARG B 734 -2.776 -3.864 -1.865 1.00 0.00 N ATOM 442 CZ ARG B 734 -3.301 -3.811 -0.645 1.00 0.00 C ATOM 443 NH1 ARG B 734 -4.594 -3.709 -0.494 1.00 0.00 N ATOM 444 NH2 ARG B 734 -2.525 -3.861 0.403 1.00 0.00 N ATOM 0 H ARG B 734 -1.664 -7.726 -5.017 1.00 0.00 H new ATOM 0 HA ARG B 734 -2.062 -5.331 -6.453 1.00 0.00 H new ATOM 0 HB2 ARG B 734 -3.122 -6.164 -4.251 1.00 0.00 H new ATOM 0 HB3 ARG B 734 -1.647 -5.653 -3.454 1.00 0.00 H new ATOM 0 HG2 ARG B 734 -1.946 -3.340 -4.334 1.00 0.00 H new ATOM 0 HG3 ARG B 734 -3.387 -3.838 -5.199 1.00 0.00 H new ATOM 0 HD2 ARG B 734 -4.115 -2.837 -3.108 1.00 0.00 H new ATOM 0 HD3 ARG B 734 -4.403 -4.561 -2.987 1.00 0.00 H new ATOM 0 HE ARG B 734 -1.765 -3.947 -1.972 1.00 0.00 H new ATOM 0 HH11 ARG B 734 -5.202 -3.670 -1.312 1.00 0.00 H new ATOM 0 HH12 ARG B 734 -4.996 -3.668 0.442 1.00 0.00 H new ATOM 0 HH21 ARG B 734 -1.515 -3.941 0.286 1.00 0.00 H new ATOM 0 HH22 ARG B 734 -2.929 -3.820 1.339 1.00 0.00 H new ATOM 458 N ALA B 735 0.795 -5.622 -4.842 1.00 0.00 N ATOM 459 CA ALA B 735 2.123 -5.036 -4.699 1.00 0.00 C ATOM 460 C ALA B 735 2.831 -4.932 -6.047 1.00 0.00 C ATOM 461 O ALA B 735 3.553 -3.971 -6.301 1.00 0.00 O ATOM 462 CB ALA B 735 2.972 -5.880 -3.745 1.00 0.00 C ATOM 0 H ALA B 735 0.672 -6.517 -4.369 1.00 0.00 H new ATOM 0 HA ALA B 735 2.000 -4.032 -4.293 1.00 0.00 H new ATOM 0 HB1 ALA B 735 3.961 -5.433 -3.646 1.00 0.00 H new ATOM 0 HB2 ALA B 735 2.492 -5.918 -2.767 1.00 0.00 H new ATOM 0 HB3 ALA B 735 3.069 -6.891 -4.141 1.00 0.00 H new ATOM 468 N ARG B 736 2.628 -5.925 -6.907 1.00 0.00 N ATOM 469 CA ARG B 736 3.264 -5.921 -8.212 1.00 0.00 C ATOM 470 C ARG B 736 2.645 -4.837 -9.093 1.00 0.00 C ATOM 471 O ARG B 736 3.265 -4.362 -10.045 1.00 0.00 O ATOM 472 CB ARG B 736 3.098 -7.323 -8.851 1.00 0.00 C ATOM 473 CG ARG B 736 2.013 -7.320 -9.944 1.00 0.00 C ATOM 474 CD ARG B 736 1.753 -8.747 -10.423 1.00 0.00 C ATOM 475 NE ARG B 736 2.929 -9.261 -11.102 1.00 0.00 N ATOM 476 CZ ARG B 736 2.956 -10.500 -11.563 1.00 0.00 C ATOM 477 NH1 ARG B 736 1.916 -11.268 -11.408 1.00 0.00 N ATOM 478 NH2 ARG B 736 4.019 -10.945 -12.171 1.00 0.00 N ATOM 0 H ARG B 736 2.034 -6.733 -6.723 1.00 0.00 H new ATOM 0 HA ARG B 736 4.327 -5.700 -8.111 1.00 0.00 H new ATOM 0 HB2 ARG B 736 4.047 -7.643 -9.280 1.00 0.00 H new ATOM 0 HB3 ARG B 736 2.837 -8.047 -8.079 1.00 0.00 H new ATOM 0 HG2 ARG B 736 1.093 -6.885 -9.554 1.00 0.00 H new ATOM 0 HG3 ARG B 736 2.330 -6.698 -10.781 1.00 0.00 H new ATOM 0 HD2 ARG B 736 1.504 -9.385 -9.575 1.00 0.00 H new ATOM 0 HD3 ARG B 736 0.897 -8.764 -11.097 1.00 0.00 H new ATOM 0 HE ARG B 736 3.744 -8.659 -11.225 1.00 0.00 H new ATOM 0 HH11 ARG B 736 1.086 -10.913 -10.933 1.00 0.00 H new ATOM 0 HH12 ARG B 736 1.931 -12.225 -11.762 1.00 0.00 H new ATOM 0 HH21 ARG B 736 4.830 -10.338 -12.291 1.00 0.00 H new ATOM 0 HH22 ARG B 736 4.041 -11.901 -12.527 1.00 0.00 H new ATOM 598 N ASN B 744 7.203 5.767 -11.556 1.00 0.00 N ATOM 599 CA ASN B 744 7.818 6.339 -12.744 1.00 0.00 C ATOM 600 C ASN B 744 8.710 7.527 -12.365 1.00 0.00 C ATOM 601 O ASN B 744 8.417 8.251 -11.414 1.00 0.00 O ATOM 602 CB ASN B 744 6.748 6.791 -13.746 1.00 0.00 C ATOM 603 CG ASN B 744 6.192 5.586 -14.497 1.00 0.00 C ATOM 604 OD1 ASN B 744 6.581 4.449 -14.225 1.00 0.00 O ATOM 605 ND2 ASN B 744 5.301 5.768 -15.431 1.00 0.00 N ATOM 0 HA ASN B 744 8.431 5.569 -13.212 1.00 0.00 H new ATOM 0 HB2 ASN B 744 5.943 7.306 -13.222 1.00 0.00 H new ATOM 0 HB3 ASN B 744 7.177 7.503 -14.451 1.00 0.00 H new ATOM 0 HD21 ASN B 744 4.924 4.968 -15.939 1.00 0.00 H new ATOM 0 HD22 ASN B 744 4.981 6.711 -15.654 1.00 0.00 H new ATOM 612 N PRO B 745 9.788 7.737 -13.083 1.00 0.00 N ATOM 613 CA PRO B 745 10.735 8.856 -12.814 1.00 0.00 C ATOM 614 C PRO B 745 10.014 10.164 -12.538 1.00 0.00 C ATOM 615 O PRO B 745 10.481 11.001 -11.763 1.00 0.00 O ATOM 616 CB PRO B 745 11.550 8.962 -14.111 1.00 0.00 C ATOM 617 CG PRO B 745 11.499 7.603 -14.732 1.00 0.00 C ATOM 618 CD PRO B 745 10.224 6.920 -14.226 1.00 0.00 C ATOM 0 HA PRO B 745 11.343 8.668 -11.929 1.00 0.00 H new ATOM 0 HB2 PRO B 745 11.128 9.714 -14.778 1.00 0.00 H new ATOM 0 HB3 PRO B 745 12.578 9.260 -13.904 1.00 0.00 H new ATOM 0 HG2 PRO B 745 11.490 7.677 -15.819 1.00 0.00 H new ATOM 0 HG3 PRO B 745 12.380 7.022 -14.460 1.00 0.00 H new ATOM 0 HD2 PRO B 745 9.459 6.885 -15.002 1.00 0.00 H new ATOM 0 HD3 PRO B 745 10.419 5.891 -13.925 1.00 0.00 H new ATOM 626 N LEU B 746 8.882 10.334 -13.185 1.00 0.00 N ATOM 627 CA LEU B 746 8.100 11.548 -13.013 1.00 0.00 C ATOM 628 C LEU B 746 7.671 11.690 -11.556 1.00 0.00 C ATOM 629 O LEU B 746 7.579 12.802 -11.032 1.00 0.00 O ATOM 630 CB LEU B 746 6.863 11.511 -13.925 1.00 0.00 C ATOM 631 CG LEU B 746 7.244 11.938 -15.352 1.00 0.00 C ATOM 632 CD1 LEU B 746 7.613 13.439 -15.398 1.00 0.00 C ATOM 633 CD2 LEU B 746 8.430 11.088 -15.821 1.00 0.00 C ATOM 0 H LEU B 746 8.481 9.655 -13.832 1.00 0.00 H new ATOM 0 HA LEU B 746 8.714 12.406 -13.286 1.00 0.00 H new ATOM 0 HB2 LEU B 746 6.442 10.506 -13.938 1.00 0.00 H new ATOM 0 HB3 LEU B 746 6.092 12.174 -13.532 1.00 0.00 H new ATOM 0 HG LEU B 746 6.391 11.784 -16.013 1.00 0.00 H new ATOM 0 HD11 LEU B 746 7.879 13.717 -16.418 1.00 0.00 H new ATOM 0 HD12 LEU B 746 6.760 14.034 -15.070 1.00 0.00 H new ATOM 0 HD13 LEU B 746 8.460 13.626 -14.738 1.00 0.00 H new ATOM 0 HD21 LEU B 746 8.710 11.381 -16.833 1.00 0.00 H new ATOM 0 HD22 LEU B 746 9.276 11.242 -15.151 1.00 0.00 H new ATOM 0 HD23 LEU B 746 8.149 10.035 -15.813 1.00 0.00 H new ATOM 645 N TYR B 747 7.405 10.565 -10.909 1.00 0.00 N ATOM 646 CA TYR B 747 6.984 10.588 -9.516 1.00 0.00 C ATOM 647 C TYR B 747 8.083 11.156 -8.625 1.00 0.00 C ATOM 648 O TYR B 747 7.826 11.997 -7.765 1.00 0.00 O ATOM 649 CB TYR B 747 6.632 9.175 -9.063 1.00 0.00 C ATOM 650 CG TYR B 747 6.253 9.192 -7.602 1.00 0.00 C ATOM 651 CD1 TYR B 747 4.964 9.584 -7.216 1.00 0.00 C ATOM 652 CD2 TYR B 747 7.191 8.818 -6.634 1.00 0.00 C ATOM 653 CE1 TYR B 747 4.616 9.600 -5.859 1.00 0.00 C ATOM 654 CE2 TYR B 747 6.842 8.834 -5.279 1.00 0.00 C ATOM 655 CZ TYR B 747 5.555 9.224 -4.891 1.00 0.00 C ATOM 656 OH TYR B 747 5.212 9.240 -3.555 1.00 0.00 O ATOM 0 H TYR B 747 7.472 9.634 -11.321 1.00 0.00 H new ATOM 0 HA TYR B 747 6.107 11.229 -9.431 1.00 0.00 H new ATOM 0 HB2 TYR B 747 5.806 8.786 -9.659 1.00 0.00 H new ATOM 0 HB3 TYR B 747 7.480 8.509 -9.221 1.00 0.00 H new ATOM 0 HD1 TYR B 747 4.240 9.873 -7.963 1.00 0.00 H new ATOM 0 HD2 TYR B 747 8.184 8.517 -6.932 1.00 0.00 H new ATOM 0 HE1 TYR B 747 3.623 9.902 -5.560 1.00 0.00 H new ATOM 0 HE2 TYR B 747 7.566 8.545 -4.532 1.00 0.00 H new ATOM 0 HH TYR B 747 5.978 8.950 -3.017 1.00 0.00 H new ATOM 666 N LYS B 748 9.306 10.692 -8.841 1.00 0.00 N ATOM 667 CA LYS B 748 10.434 11.155 -8.066 1.00 0.00 C ATOM 668 C LYS B 748 10.684 12.638 -8.338 1.00 0.00 C ATOM 669 O LYS B 748 11.031 13.396 -7.433 1.00 0.00 O ATOM 670 CB LYS B 748 11.674 10.301 -8.414 1.00 0.00 C ATOM 671 CG LYS B 748 12.943 11.113 -8.174 1.00 0.00 C ATOM 672 CD LYS B 748 14.175 10.208 -8.180 1.00 0.00 C ATOM 673 CE LYS B 748 15.425 11.054 -7.918 1.00 0.00 C ATOM 674 NZ LYS B 748 16.624 10.172 -7.900 1.00 0.00 N ATOM 0 H LYS B 748 9.536 9.995 -9.549 1.00 0.00 H new ATOM 0 HA LYS B 748 10.224 11.045 -7.002 1.00 0.00 H new ATOM 0 HB2 LYS B 748 11.688 9.398 -7.804 1.00 0.00 H new ATOM 0 HB3 LYS B 748 11.627 9.982 -9.455 1.00 0.00 H new ATOM 0 HG2 LYS B 748 13.043 11.876 -8.946 1.00 0.00 H new ATOM 0 HG3 LYS B 748 12.872 11.633 -7.218 1.00 0.00 H new ATOM 0 HD2 LYS B 748 14.077 9.436 -7.416 1.00 0.00 H new ATOM 0 HD3 LYS B 748 14.261 9.698 -9.139 1.00 0.00 H new ATOM 0 HE2 LYS B 748 15.531 11.815 -8.691 1.00 0.00 H new ATOM 0 HE3 LYS B 748 15.331 11.577 -6.967 1.00 0.00 H new ATOM 0 HZ1 LYS B 748 17.474 10.745 -7.722 1.00 0.00 H new ATOM 0 HZ2 LYS B 748 16.521 9.462 -7.147 1.00 0.00 H new ATOM 0 HZ3 LYS B 748 16.716 9.692 -8.818 1.00 0.00 H new ATOM 688 N GLU B 749 10.537 13.037 -9.591 1.00 0.00 N ATOM 689 CA GLU B 749 10.778 14.422 -9.964 1.00 0.00 C ATOM 690 C GLU B 749 9.851 15.353 -9.197 1.00 0.00 C ATOM 691 O GLU B 749 10.253 16.436 -8.777 1.00 0.00 O ATOM 692 CB GLU B 749 10.564 14.599 -11.466 1.00 0.00 C ATOM 693 CG GLU B 749 10.930 16.028 -11.868 1.00 0.00 C ATOM 694 CD GLU B 749 10.791 16.195 -13.377 1.00 0.00 C ATOM 695 OE1 GLU B 749 10.723 15.186 -14.060 1.00 0.00 O ATOM 696 OE2 GLU B 749 10.757 17.328 -13.826 1.00 0.00 O ATOM 0 H GLU B 749 10.255 12.429 -10.360 1.00 0.00 H new ATOM 0 HA GLU B 749 11.808 14.675 -9.713 1.00 0.00 H new ATOM 0 HB2 GLU B 749 11.177 13.886 -12.018 1.00 0.00 H new ATOM 0 HB3 GLU B 749 9.525 14.392 -11.723 1.00 0.00 H new ATOM 0 HG2 GLU B 749 10.281 16.737 -11.354 1.00 0.00 H new ATOM 0 HG3 GLU B 749 11.952 16.251 -11.561 1.00 0.00 H new ATOM 703 N ALA B 750 8.614 14.920 -9.015 1.00 0.00 N ATOM 704 CA ALA B 750 7.637 15.725 -8.298 1.00 0.00 C ATOM 705 C ALA B 750 8.104 15.991 -6.870 1.00 0.00 C ATOM 706 O ALA B 750 7.984 17.108 -6.369 1.00 0.00 O ATOM 707 CB ALA B 750 6.289 15.004 -8.270 1.00 0.00 C ATOM 0 H ALA B 750 8.264 14.023 -9.351 1.00 0.00 H new ATOM 0 HA ALA B 750 7.529 16.678 -8.815 1.00 0.00 H new ATOM 0 HB1 ALA B 750 5.562 15.612 -7.732 1.00 0.00 H new ATOM 0 HB2 ALA B 750 5.942 14.842 -9.290 1.00 0.00 H new ATOM 0 HB3 ALA B 750 6.401 14.043 -7.768 1.00 0.00 H new ATOM 713 N THR B 751 8.642 14.963 -6.221 1.00 0.00 N ATOM 714 CA THR B 751 9.123 15.106 -4.858 1.00 0.00 C ATOM 715 C THR B 751 10.334 16.031 -4.812 1.00 0.00 C ATOM 716 O THR B 751 10.503 16.804 -3.868 1.00 0.00 O ATOM 717 CB THR B 751 9.500 13.734 -4.300 1.00 0.00 C ATOM 718 OG1 THR B 751 10.391 13.087 -5.198 1.00 0.00 O ATOM 719 CG2 THR B 751 8.242 12.884 -4.125 1.00 0.00 C ATOM 0 H THR B 751 8.754 14.029 -6.617 1.00 0.00 H new ATOM 0 HA THR B 751 8.329 15.541 -4.251 1.00 0.00 H new ATOM 0 HB THR B 751 9.986 13.859 -3.332 1.00 0.00 H new ATOM 0 HG1 THR B 751 10.450 13.603 -6.029 1.00 0.00 H new ATOM 0 HG21 THR B 751 8.516 11.907 -3.727 1.00 0.00 H new ATOM 0 HG22 THR B 751 7.561 13.380 -3.433 1.00 0.00 H new ATOM 0 HG23 THR B 751 7.751 12.758 -5.090 1.00 0.00 H new ATOM 727 N SER B 752 11.173 15.948 -5.838 1.00 0.00 N ATOM 728 CA SER B 752 12.364 16.782 -5.907 1.00 0.00 C ATOM 729 C SER B 752 11.983 18.257 -5.945 1.00 0.00 C ATOM 730 O SER B 752 12.623 19.092 -5.305 1.00 0.00 O ATOM 731 CB SER B 752 13.180 16.429 -7.152 1.00 0.00 C ATOM 732 OG SER B 752 14.134 17.455 -7.395 1.00 0.00 O ATOM 0 H SER B 752 11.051 15.315 -6.629 1.00 0.00 H new ATOM 0 HA SER B 752 12.966 16.597 -5.017 1.00 0.00 H new ATOM 0 HB2 SER B 752 13.685 15.473 -7.011 1.00 0.00 H new ATOM 0 HB3 SER B 752 12.521 16.318 -8.013 1.00 0.00 H new ATOM 0 HG SER B 752 14.660 17.231 -8.191 1.00 0.00 H new ATOM 738 N THR B 753 10.943 18.570 -6.705 1.00 0.00 N ATOM 739 CA THR B 753 10.486 19.950 -6.829 1.00 0.00 C ATOM 740 C THR B 753 10.012 20.485 -5.485 1.00 0.00 C ATOM 741 O THR B 753 10.364 21.591 -5.089 1.00 0.00 O ATOM 742 CB THR B 753 9.351 20.040 -7.851 1.00 0.00 C ATOM 743 OG1 THR B 753 9.734 19.364 -9.042 1.00 0.00 O ATOM 744 CG2 THR B 753 9.059 21.506 -8.169 1.00 0.00 C ATOM 0 H THR B 753 10.402 17.893 -7.243 1.00 0.00 H new ATOM 0 HA THR B 753 11.325 20.557 -7.169 1.00 0.00 H new ATOM 0 HB THR B 753 8.455 19.576 -7.439 1.00 0.00 H new ATOM 0 HG1 THR B 753 9.726 18.397 -8.886 1.00 0.00 H new ATOM 0 HG21 THR B 753 8.250 21.566 -8.897 1.00 0.00 H new ATOM 0 HG22 THR B 753 8.765 22.025 -7.256 1.00 0.00 H new ATOM 0 HG23 THR B 753 9.953 21.974 -8.580 1.00 0.00 H new ATOM 752 N PHE B 754 9.222 19.687 -4.784 1.00 0.00 N ATOM 753 CA PHE B 754 8.698 20.088 -3.482 1.00 0.00 C ATOM 754 C PHE B 754 9.839 20.413 -2.540 1.00 0.00 C ATOM 755 O PHE B 754 9.765 21.374 -1.784 1.00 0.00 O ATOM 756 CB PHE B 754 7.845 18.957 -2.900 1.00 0.00 C ATOM 757 CG PHE B 754 7.126 19.442 -1.662 1.00 0.00 C ATOM 758 CD1 PHE B 754 6.110 20.397 -1.781 1.00 0.00 C ATOM 759 CD2 PHE B 754 7.469 18.939 -0.400 1.00 0.00 C ATOM 760 CE1 PHE B 754 5.437 20.851 -0.640 1.00 0.00 C ATOM 761 CE2 PHE B 754 6.796 19.392 0.741 1.00 0.00 C ATOM 762 CZ PHE B 754 5.781 20.350 0.621 1.00 0.00 C ATOM 0 H PHE B 754 8.929 18.760 -5.091 1.00 0.00 H new ATOM 0 HA PHE B 754 8.080 20.977 -3.604 1.00 0.00 H new ATOM 0 HB2 PHE B 754 7.122 18.616 -3.641 1.00 0.00 H new ATOM 0 HB3 PHE B 754 8.476 18.103 -2.654 1.00 0.00 H new ATOM 0 HD1 PHE B 754 5.845 20.784 -2.754 1.00 0.00 H new ATOM 0 HD2 PHE B 754 8.253 18.202 -0.307 1.00 0.00 H new ATOM 0 HE1 PHE B 754 4.653 21.588 -0.733 1.00 0.00 H new ATOM 0 HE2 PHE B 754 7.059 19.003 1.713 1.00 0.00 H new ATOM 0 HZ PHE B 754 5.264 20.702 1.501 1.00 0.00 H new ATOM 772 N THR B 755 10.896 19.627 -2.595 1.00 0.00 N ATOM 773 CA THR B 755 12.041 19.870 -1.735 1.00 0.00 C ATOM 774 C THR B 755 12.577 21.280 -1.954 1.00 0.00 C ATOM 775 O THR B 755 12.918 21.981 -1.001 1.00 0.00 O ATOM 776 CB THR B 755 13.139 18.850 -2.030 1.00 0.00 C ATOM 777 OG1 THR B 755 12.573 17.547 -2.055 1.00 0.00 O ATOM 778 CG2 THR B 755 14.210 18.921 -0.942 1.00 0.00 C ATOM 0 H THR B 755 10.988 18.824 -3.217 1.00 0.00 H new ATOM 0 HA THR B 755 11.726 19.769 -0.697 1.00 0.00 H new ATOM 0 HB THR B 755 13.592 19.071 -2.996 1.00 0.00 H new ATOM 0 HG1 THR B 755 13.274 16.889 -2.246 1.00 0.00 H new ATOM 0 HG21 THR B 755 14.993 18.193 -1.154 1.00 0.00 H new ATOM 0 HG22 THR B 755 14.642 19.922 -0.921 1.00 0.00 H new ATOM 0 HG23 THR B 755 13.761 18.699 0.026 1.00 0.00 H new ATOM 786 N ASN B 756 12.650 21.691 -3.213 1.00 0.00 N ATOM 787 CA ASN B 756 13.149 23.023 -3.538 1.00 0.00 C ATOM 788 C ASN B 756 12.180 24.106 -3.066 1.00 0.00 C ATOM 789 O ASN B 756 12.579 25.047 -2.378 1.00 0.00 O ATOM 790 CB ASN B 756 13.345 23.150 -5.052 1.00 0.00 C ATOM 791 CG ASN B 756 14.137 24.414 -5.377 1.00 0.00 C ATOM 792 OD1 ASN B 756 15.055 24.781 -4.642 1.00 0.00 O ATOM 793 ND2 ASN B 756 13.837 25.106 -6.443 1.00 0.00 N ATOM 0 H ASN B 756 12.374 21.130 -4.019 1.00 0.00 H new ATOM 0 HA ASN B 756 14.101 23.159 -3.025 1.00 0.00 H new ATOM 0 HB2 ASN B 756 13.871 22.275 -5.433 1.00 0.00 H new ATOM 0 HB3 ASN B 756 12.376 23.181 -5.550 1.00 0.00 H new ATOM 0 HD21 ASN B 756 14.363 25.951 -6.667 1.00 0.00 H new ATOM 0 HD22 ASN B 756 13.077 24.802 -7.051 1.00 0.00 H new ATOM 800 N ILE B 757 10.911 23.980 -3.450 1.00 0.00 N ATOM 801 CA ILE B 757 9.906 24.970 -3.068 1.00 0.00 C ATOM 802 C ILE B 757 9.679 24.948 -1.568 1.00 0.00 C ATOM 803 O ILE B 757 9.619 25.986 -0.914 1.00 0.00 O ATOM 804 CB ILE B 757 8.581 24.676 -3.779 1.00 0.00 C ATOM 805 CG1 ILE B 757 8.855 24.491 -5.273 1.00 0.00 C ATOM 806 CG2 ILE B 757 7.618 25.855 -3.574 1.00 0.00 C ATOM 807 CD1 ILE B 757 7.559 24.606 -6.088 1.00 0.00 C ATOM 0 H ILE B 757 10.557 23.211 -4.019 1.00 0.00 H new ATOM 0 HA ILE B 757 10.270 25.955 -3.361 1.00 0.00 H new ATOM 0 HB ILE B 757 8.131 23.771 -3.370 1.00 0.00 H new ATOM 0 HG12 ILE B 757 9.569 25.242 -5.611 1.00 0.00 H new ATOM 0 HG13 ILE B 757 9.312 23.516 -5.445 1.00 0.00 H new ATOM 0 HG21 ILE B 757 6.675 25.647 -4.080 1.00 0.00 H new ATOM 0 HG22 ILE B 757 7.435 25.995 -2.509 1.00 0.00 H new ATOM 0 HG23 ILE B 757 8.059 26.761 -3.988 1.00 0.00 H new ATOM 0 HD11 ILE B 757 7.782 24.471 -7.146 1.00 0.00 H new ATOM 0 HD12 ILE B 757 6.856 23.838 -5.764 1.00 0.00 H new ATOM 0 HD13 ILE B 757 7.118 25.591 -5.933 1.00 0.00 H new ATOM 819 N THR B 758 9.548 23.745 -1.041 1.00 0.00 N ATOM 820 CA THR B 758 9.314 23.563 0.385 1.00 0.00 C ATOM 821 C THR B 758 10.536 23.994 1.177 1.00 0.00 C ATOM 822 O THR B 758 10.524 23.992 2.408 1.00 0.00 O ATOM 823 CB THR B 758 8.991 22.098 0.691 1.00 0.00 C ATOM 824 OG1 THR B 758 7.900 21.678 -0.115 1.00 0.00 O ATOM 825 CG2 THR B 758 8.627 21.940 2.170 1.00 0.00 C ATOM 0 H THR B 758 9.599 22.878 -1.576 1.00 0.00 H new ATOM 0 HA THR B 758 8.464 24.181 0.675 1.00 0.00 H new ATOM 0 HB THR B 758 9.865 21.485 0.473 1.00 0.00 H new ATOM 0 HG1 THR B 758 7.791 20.707 -0.038 1.00 0.00 H new ATOM 0 HG21 THR B 758 8.399 20.895 2.379 1.00 0.00 H new ATOM 0 HG22 THR B 758 9.467 22.258 2.787 1.00 0.00 H new ATOM 0 HG23 THR B 758 7.756 22.554 2.398 1.00 0.00 H new