USER MOD reduce.3.24.130724 H: found=0, std=0, add=358, rem=0, adj=12 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+ -142:sc= -0.119 (180deg=-0.755) USER MOD Single : B 720 THR OG1 : rot 180:sc= 0 USER MOD Single : B 722 HIS : no HE2:sc= 0.0588 X(o=0.059,f=-0.37) USER MOD Single : B 725 LYS NZ :NH3+ -160:sc= -0.0742 (180deg=-0.557) USER MOD Single : B 729 LYS NZ :NH3+ 163:sc= -0.0262 (180deg=-0.383) USER MOD Single : B 744 ASN : amide:sc= -0.0206 X(o=-0.021,f=0.024) 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 -69:sc= 0.745 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 180:sc= 0 USER MOD Single : B 756 ASN : amide:sc= -1.19! C(o=-1.2!,f=-3.5!) USER MOD Single : B 758 THR OG1 : rot -176:sc= -0.905 USER MOD ----------------------------------------------------------------- ATOM 12 N PRO B 710 -17.876 -7.153 17.785 1.00 0.00 N ATOM 13 CA PRO B 710 -17.841 -7.792 16.434 1.00 0.00 C ATOM 14 C PRO B 710 -16.433 -7.802 15.843 1.00 0.00 C ATOM 15 O PRO B 710 -16.140 -8.571 14.927 1.00 0.00 O ATOM 16 CB PRO B 710 -18.791 -6.923 15.594 1.00 0.00 C ATOM 17 CG PRO B 710 -18.815 -5.594 16.282 1.00 0.00 C ATOM 18 CD PRO B 710 -18.612 -5.877 17.769 1.00 0.00 C ATOM 0 HA PRO B 710 -18.139 -8.840 16.466 1.00 0.00 H new ATOM 0 HB2 PRO B 710 -18.436 -6.829 14.568 1.00 0.00 H new ATOM 0 HB3 PRO B 710 -19.788 -7.361 15.547 1.00 0.00 H new ATOM 0 HG2 PRO B 710 -18.028 -4.944 15.899 1.00 0.00 H new ATOM 0 HG3 PRO B 710 -19.763 -5.084 16.109 1.00 0.00 H new ATOM 0 HD2 PRO B 710 -18.046 -5.082 18.254 1.00 0.00 H new ATOM 0 HD3 PRO B 710 -19.563 -5.957 18.295 1.00 0.00 H new ATOM 26 N GLU B 711 -15.570 -6.939 16.367 1.00 0.00 N ATOM 27 CA GLU B 711 -14.200 -6.854 15.877 1.00 0.00 C ATOM 28 C GLU B 711 -13.475 -8.177 16.090 1.00 0.00 C ATOM 29 O GLU B 711 -12.656 -8.586 15.268 1.00 0.00 O ATOM 30 CB GLU B 711 -13.453 -5.736 16.607 1.00 0.00 C ATOM 31 CG GLU B 711 -14.037 -4.381 16.200 1.00 0.00 C ATOM 32 CD GLU B 711 -13.358 -3.265 16.987 1.00 0.00 C ATOM 33 OE1 GLU B 711 -12.511 -3.576 17.809 1.00 0.00 O ATOM 34 OE2 GLU B 711 -13.693 -2.115 16.755 1.00 0.00 O ATOM 0 H GLU B 711 -15.792 -6.293 17.125 1.00 0.00 H new ATOM 0 HA GLU B 711 -14.227 -6.635 14.810 1.00 0.00 H new ATOM 0 HB2 GLU B 711 -13.538 -5.871 17.685 1.00 0.00 H new ATOM 0 HB3 GLU B 711 -12.391 -5.774 16.363 1.00 0.00 H new ATOM 0 HG2 GLU B 711 -13.897 -4.221 15.131 1.00 0.00 H new ATOM 0 HG3 GLU B 711 -15.111 -4.367 16.386 1.00 0.00 H new ATOM 41 N CYS B 712 -13.783 -8.844 17.197 1.00 0.00 N ATOM 42 CA CYS B 712 -13.154 -10.123 17.506 1.00 0.00 C ATOM 43 C CYS B 712 -13.515 -11.165 16.450 1.00 0.00 C ATOM 44 O CYS B 712 -12.654 -11.897 15.966 1.00 0.00 O ATOM 45 CB CYS B 712 -13.609 -10.607 18.888 1.00 0.00 C ATOM 46 SG CYS B 712 -12.630 -9.781 20.167 1.00 0.00 S ATOM 0 H CYS B 712 -14.459 -8.524 17.890 1.00 0.00 H new ATOM 0 HA CYS B 712 -12.072 -9.987 17.508 1.00 0.00 H new ATOM 0 HB2 CYS B 712 -14.668 -10.392 19.030 1.00 0.00 H new ATOM 0 HB3 CYS B 712 -13.490 -11.688 18.964 1.00 0.00 H new ATOM 0 HG CYS B 712 -13.016 -10.188 21.340 1.00 0.00 H new ATOM 52 N LEU B 713 -14.797 -11.229 16.104 1.00 0.00 N ATOM 53 CA LEU B 713 -15.261 -12.190 15.110 1.00 0.00 C ATOM 54 C LEU B 713 -14.616 -11.911 13.758 1.00 0.00 C ATOM 55 O LEU B 713 -14.205 -12.834 13.055 1.00 0.00 O ATOM 56 CB LEU B 713 -16.784 -12.106 14.977 1.00 0.00 C ATOM 57 CG LEU B 713 -17.426 -12.227 16.363 1.00 0.00 C ATOM 58 CD1 LEU B 713 -18.948 -12.130 16.228 1.00 0.00 C ATOM 59 CD2 LEU B 713 -17.048 -13.574 16.993 1.00 0.00 C ATOM 0 H LEU B 713 -15.527 -10.633 16.493 1.00 0.00 H new ATOM 0 HA LEU B 713 -14.978 -13.191 15.436 1.00 0.00 H new ATOM 0 HB2 LEU B 713 -17.068 -11.161 14.515 1.00 0.00 H new ATOM 0 HB3 LEU B 713 -17.147 -12.901 14.326 1.00 0.00 H new ATOM 0 HG LEU B 713 -17.066 -11.420 17.001 1.00 0.00 H new ATOM 0 HD11 LEU B 713 -19.407 -12.216 17.213 1.00 0.00 H new ATOM 0 HD12 LEU B 713 -19.214 -11.170 15.786 1.00 0.00 H new ATOM 0 HD13 LEU B 713 -19.309 -12.936 15.588 1.00 0.00 H new ATOM 0 HD21 LEU B 713 -17.506 -13.656 17.978 1.00 0.00 H new ATOM 0 HD22 LEU B 713 -17.404 -14.385 16.358 1.00 0.00 H new ATOM 0 HD23 LEU B 713 -15.964 -13.639 17.090 1.00 0.00 H new ATOM 71 N ILE B 714 -14.531 -10.634 13.401 1.00 0.00 N ATOM 72 CA ILE B 714 -13.935 -10.246 12.129 1.00 0.00 C ATOM 73 C ILE B 714 -12.459 -10.631 12.090 1.00 0.00 C ATOM 74 O ILE B 714 -11.969 -11.151 11.088 1.00 0.00 O ATOM 75 CB ILE B 714 -14.080 -8.736 11.926 1.00 0.00 C ATOM 76 CG1 ILE B 714 -15.559 -8.386 11.749 1.00 0.00 C ATOM 77 CG2 ILE B 714 -13.307 -8.311 10.672 1.00 0.00 C ATOM 78 CD1 ILE B 714 -15.739 -6.869 11.846 1.00 0.00 C ATOM 0 H ILE B 714 -14.865 -9.856 13.970 1.00 0.00 H new ATOM 0 HA ILE B 714 -14.455 -10.771 11.328 1.00 0.00 H new ATOM 0 HB ILE B 714 -13.681 -8.214 12.796 1.00 0.00 H new ATOM 0 HG12 ILE B 714 -15.916 -8.744 10.783 1.00 0.00 H new ATOM 0 HG13 ILE B 714 -16.156 -8.883 12.514 1.00 0.00 H new ATOM 0 HG21 ILE B 714 -13.411 -7.236 10.528 1.00 0.00 H new ATOM 0 HG22 ILE B 714 -12.253 -8.561 10.792 1.00 0.00 H new ATOM 0 HG23 ILE B 714 -13.707 -8.834 9.803 1.00 0.00 H new ATOM 0 HD11 ILE B 714 -16.792 -6.619 11.720 1.00 0.00 H new ATOM 0 HD12 ILE B 714 -15.398 -6.524 12.822 1.00 0.00 H new ATOM 0 HD13 ILE B 714 -15.155 -6.383 11.065 1.00 0.00 H new ATOM 90 N TRP B 715 -11.757 -10.369 13.187 1.00 0.00 N ATOM 91 CA TRP B 715 -10.337 -10.688 13.265 1.00 0.00 C ATOM 92 C TRP B 715 -10.115 -12.183 13.064 1.00 0.00 C ATOM 93 O TRP B 715 -9.181 -12.592 12.379 1.00 0.00 O ATOM 94 CB TRP B 715 -9.781 -10.267 14.627 1.00 0.00 C ATOM 95 CG TRP B 715 -8.328 -10.614 14.701 1.00 0.00 C ATOM 96 CD1 TRP B 715 -7.809 -11.627 15.431 1.00 0.00 C ATOM 97 CD2 TRP B 715 -7.204 -9.967 14.038 1.00 0.00 C ATOM 98 NE1 TRP B 715 -6.436 -11.645 15.257 1.00 0.00 N ATOM 99 CE2 TRP B 715 -6.015 -10.642 14.407 1.00 0.00 C ATOM 100 CE3 TRP B 715 -7.099 -8.874 13.160 1.00 0.00 C ATOM 101 CZ2 TRP B 715 -4.768 -10.244 13.923 1.00 0.00 C ATOM 102 CZ3 TRP B 715 -5.846 -8.471 12.671 1.00 0.00 C ATOM 103 CH2 TRP B 715 -4.683 -9.156 13.051 1.00 0.00 C ATOM 0 H TRP B 715 -12.144 -9.940 14.028 1.00 0.00 H new ATOM 0 HA TRP B 715 -9.817 -10.144 12.477 1.00 0.00 H new ATOM 0 HB2 TRP B 715 -9.918 -9.195 14.772 1.00 0.00 H new ATOM 0 HB3 TRP B 715 -10.327 -10.769 15.426 1.00 0.00 H new ATOM 0 HD1 TRP B 715 -8.373 -12.310 16.049 1.00 0.00 H new ATOM 0 HE1 TRP B 715 -5.811 -12.317 15.702 1.00 0.00 H new ATOM 0 HE3 TRP B 715 -7.989 -8.340 12.859 1.00 0.00 H new ATOM 0 HZ2 TRP B 715 -3.875 -10.773 14.221 1.00 0.00 H new ATOM 0 HZ3 TRP B 715 -5.778 -7.629 11.998 1.00 0.00 H new ATOM 0 HH2 TRP B 715 -3.722 -8.843 12.670 1.00 0.00 H new ATOM 114 N LYS B 716 -10.980 -12.991 13.666 1.00 0.00 N ATOM 115 CA LYS B 716 -10.863 -14.442 13.550 1.00 0.00 C ATOM 116 C LYS B 716 -10.952 -14.873 12.092 1.00 0.00 C ATOM 117 O LYS B 716 -10.205 -15.744 11.644 1.00 0.00 O ATOM 118 CB LYS B 716 -11.975 -15.119 14.354 1.00 0.00 C ATOM 119 CG LYS B 716 -11.772 -16.635 14.331 1.00 0.00 C ATOM 120 CD LYS B 716 -12.825 -17.306 15.215 1.00 0.00 C ATOM 121 CE LYS B 716 -12.601 -18.820 15.216 1.00 0.00 C ATOM 122 NZ LYS B 716 -12.630 -19.327 13.815 1.00 0.00 N ATOM 0 H LYS B 716 -11.764 -12.671 14.235 1.00 0.00 H new ATOM 0 HA LYS B 716 -9.893 -14.743 13.945 1.00 0.00 H new ATOM 0 HB2 LYS B 716 -11.968 -14.756 15.382 1.00 0.00 H new ATOM 0 HB3 LYS B 716 -12.948 -14.865 13.934 1.00 0.00 H new ATOM 0 HG2 LYS B 716 -11.849 -17.007 13.309 1.00 0.00 H new ATOM 0 HG3 LYS B 716 -10.772 -16.884 14.686 1.00 0.00 H new ATOM 0 HD2 LYS B 716 -12.763 -16.918 16.232 1.00 0.00 H new ATOM 0 HD3 LYS B 716 -13.825 -17.076 14.847 1.00 0.00 H new ATOM 0 HE2 LYS B 716 -11.643 -19.056 15.680 1.00 0.00 H new ATOM 0 HE3 LYS B 716 -13.372 -19.312 15.808 1.00 0.00 H new ATOM 0 HZ1 LYS B 716 -13.107 -20.251 13.790 1.00 0.00 H new ATOM 0 HZ2 LYS B 716 -13.146 -18.654 13.213 1.00 0.00 H new ATOM 0 HZ3 LYS B 716 -11.657 -19.430 13.463 1.00 0.00 H new ATOM 136 N LEU B 717 -11.867 -14.259 11.353 1.00 0.00 N ATOM 137 CA LEU B 717 -12.047 -14.587 9.944 1.00 0.00 C ATOM 138 C LEU B 717 -10.780 -14.281 9.160 1.00 0.00 C ATOM 139 O LEU B 717 -10.414 -15.018 8.243 1.00 0.00 O ATOM 140 CB LEU B 717 -13.217 -13.789 9.366 1.00 0.00 C ATOM 141 CG LEU B 717 -14.528 -14.256 10.017 1.00 0.00 C ATOM 142 CD1 LEU B 717 -15.668 -13.330 9.585 1.00 0.00 C ATOM 143 CD2 LEU B 717 -14.845 -15.700 9.591 1.00 0.00 C ATOM 0 H LEU B 717 -12.494 -13.534 11.703 1.00 0.00 H new ATOM 0 HA LEU B 717 -12.262 -15.652 9.862 1.00 0.00 H new ATOM 0 HB2 LEU B 717 -13.069 -12.724 9.546 1.00 0.00 H new ATOM 0 HB3 LEU B 717 -13.266 -13.926 8.286 1.00 0.00 H new ATOM 0 HG LEU B 717 -14.421 -14.223 11.101 1.00 0.00 H new ATOM 0 HD11 LEU B 717 -16.599 -13.660 10.046 1.00 0.00 H new ATOM 0 HD12 LEU B 717 -15.448 -12.310 9.901 1.00 0.00 H new ATOM 0 HD13 LEU B 717 -15.770 -13.360 8.500 1.00 0.00 H new ATOM 0 HD21 LEU B 717 -15.776 -16.021 10.058 1.00 0.00 H new ATOM 0 HD22 LEU B 717 -14.948 -15.745 8.507 1.00 0.00 H new ATOM 0 HD23 LEU B 717 -14.035 -16.358 9.906 1.00 0.00 H new ATOM 155 N LEU B 718 -10.120 -13.190 9.520 1.00 0.00 N ATOM 156 CA LEU B 718 -8.900 -12.796 8.836 1.00 0.00 C ATOM 157 C LEU B 718 -7.836 -13.884 8.971 1.00 0.00 C ATOM 158 O LEU B 718 -7.121 -14.187 8.016 1.00 0.00 O ATOM 159 CB LEU B 718 -8.367 -11.485 9.428 1.00 0.00 C ATOM 160 CG LEU B 718 -7.070 -11.079 8.711 1.00 0.00 C ATOM 161 CD1 LEU B 718 -7.335 -10.918 7.207 1.00 0.00 C ATOM 162 CD2 LEU B 718 -6.567 -9.754 9.288 1.00 0.00 C ATOM 0 H LEU B 718 -10.406 -12.567 10.275 1.00 0.00 H new ATOM 0 HA LEU B 718 -9.128 -12.652 7.780 1.00 0.00 H new ATOM 0 HB2 LEU B 718 -9.113 -10.698 9.322 1.00 0.00 H new ATOM 0 HB3 LEU B 718 -8.181 -11.606 10.495 1.00 0.00 H new ATOM 0 HG LEU B 718 -6.317 -11.853 8.860 1.00 0.00 H new ATOM 0 HD11 LEU B 718 -6.412 -10.630 6.704 1.00 0.00 H new ATOM 0 HD12 LEU B 718 -7.692 -11.863 6.797 1.00 0.00 H new ATOM 0 HD13 LEU B 718 -8.089 -10.147 7.051 1.00 0.00 H new ATOM 0 HD21 LEU B 718 -5.647 -9.463 8.782 1.00 0.00 H new ATOM 0 HD22 LEU B 718 -7.323 -8.982 9.140 1.00 0.00 H new ATOM 0 HD23 LEU B 718 -6.373 -9.872 10.354 1.00 0.00 H new ATOM 174 N ILE B 719 -7.735 -14.460 10.162 1.00 0.00 N ATOM 175 CA ILE B 719 -6.753 -15.509 10.409 1.00 0.00 C ATOM 176 C ILE B 719 -7.011 -16.706 9.501 1.00 0.00 C ATOM 177 O ILE B 719 -6.086 -17.245 8.892 1.00 0.00 O ATOM 178 CB ILE B 719 -6.822 -15.954 11.871 1.00 0.00 C ATOM 179 CG1 ILE B 719 -6.632 -14.739 12.783 1.00 0.00 C ATOM 180 CG2 ILE B 719 -5.719 -16.978 12.147 1.00 0.00 C ATOM 181 CD1 ILE B 719 -6.900 -15.139 14.235 1.00 0.00 C ATOM 0 H ILE B 719 -8.315 -14.222 10.966 1.00 0.00 H new ATOM 0 HA ILE B 719 -5.761 -15.111 10.196 1.00 0.00 H new ATOM 0 HB ILE B 719 -7.794 -16.407 12.067 1.00 0.00 H new ATOM 0 HG12 ILE B 719 -5.618 -14.352 12.683 1.00 0.00 H new ATOM 0 HG13 ILE B 719 -7.309 -13.939 12.485 1.00 0.00 H new ATOM 0 HG21 ILE B 719 -5.769 -17.295 13.189 1.00 0.00 H new ATOM 0 HG22 ILE B 719 -5.855 -17.843 11.498 1.00 0.00 H new ATOM 0 HG23 ILE B 719 -4.746 -16.527 11.951 1.00 0.00 H new ATOM 0 HD11 ILE B 719 -6.764 -14.272 14.882 1.00 0.00 H new ATOM 0 HD12 ILE B 719 -7.922 -15.505 14.329 1.00 0.00 H new ATOM 0 HD13 ILE B 719 -6.205 -15.925 14.530 1.00 0.00 H new ATOM 193 N THR B 720 -8.271 -17.117 9.413 1.00 0.00 N ATOM 194 CA THR B 720 -8.635 -18.254 8.575 1.00 0.00 C ATOM 195 C THR B 720 -8.265 -17.987 7.121 1.00 0.00 C ATOM 196 O THR B 720 -7.662 -18.833 6.459 1.00 0.00 O ATOM 197 CB THR B 720 -10.140 -18.517 8.679 1.00 0.00 C ATOM 198 OG1 THR B 720 -10.517 -18.566 10.047 1.00 0.00 O ATOM 199 CG2 THR B 720 -10.477 -19.845 8.004 1.00 0.00 C ATOM 0 H THR B 720 -9.052 -16.685 9.907 1.00 0.00 H new ATOM 0 HA THR B 720 -8.087 -19.129 8.923 1.00 0.00 H new ATOM 0 HB THR B 720 -10.684 -17.714 8.182 1.00 0.00 H new ATOM 0 HG1 THR B 720 -11.480 -18.733 10.115 1.00 0.00 H new ATOM 0 HG21 THR B 720 -11.549 -20.030 8.079 1.00 0.00 H new ATOM 0 HG22 THR B 720 -10.189 -19.803 6.954 1.00 0.00 H new ATOM 0 HG23 THR B 720 -9.934 -20.652 8.497 1.00 0.00 H new ATOM 207 N ILE B 721 -8.626 -16.808 6.627 1.00 0.00 N ATOM 208 CA ILE B 721 -8.323 -16.442 5.248 1.00 0.00 C ATOM 209 C ILE B 721 -6.813 -16.366 5.035 1.00 0.00 C ATOM 210 O ILE B 721 -6.294 -16.844 4.027 1.00 0.00 O ATOM 211 CB ILE B 721 -8.959 -15.091 4.915 1.00 0.00 C ATOM 212 CG1 ILE B 721 -10.483 -15.234 4.920 1.00 0.00 C ATOM 213 CG2 ILE B 721 -8.498 -14.634 3.529 1.00 0.00 C ATOM 214 CD1 ILE B 721 -11.125 -13.846 4.886 1.00 0.00 C ATOM 0 H ILE B 721 -9.125 -16.093 7.156 1.00 0.00 H new ATOM 0 HA ILE B 721 -8.733 -17.207 4.588 1.00 0.00 H new ATOM 0 HB ILE B 721 -8.656 -14.354 5.659 1.00 0.00 H new ATOM 0 HG12 ILE B 721 -10.807 -15.818 4.058 1.00 0.00 H new ATOM 0 HG13 ILE B 721 -10.805 -15.774 5.810 1.00 0.00 H new ATOM 0 HG21 ILE B 721 -8.952 -13.671 3.294 1.00 0.00 H new ATOM 0 HG22 ILE B 721 -7.413 -14.535 3.521 1.00 0.00 H new ATOM 0 HG23 ILE B 721 -8.801 -15.370 2.784 1.00 0.00 H new ATOM 0 HD11 ILE B 721 -12.210 -13.947 4.890 1.00 0.00 H new ATOM 0 HD12 ILE B 721 -10.811 -13.278 5.762 1.00 0.00 H new ATOM 0 HD13 ILE B 721 -10.812 -13.322 3.983 1.00 0.00 H new ATOM 226 N HIS B 722 -6.117 -15.759 5.988 1.00 0.00 N ATOM 227 CA HIS B 722 -4.668 -15.621 5.895 1.00 0.00 C ATOM 228 C HIS B 722 -4.003 -16.991 5.830 1.00 0.00 C ATOM 229 O HIS B 722 -2.958 -17.156 5.202 1.00 0.00 O ATOM 230 CB HIS B 722 -4.136 -14.847 7.102 1.00 0.00 C ATOM 231 CG HIS B 722 -2.642 -14.714 6.994 1.00 0.00 C ATOM 232 ND1 HIS B 722 -2.040 -13.840 6.101 1.00 0.00 N ATOM 233 CD2 HIS B 722 -1.616 -15.337 7.659 1.00 0.00 C ATOM 234 CE1 HIS B 722 -0.709 -13.961 6.251 1.00 0.00 C ATOM 235 NE2 HIS B 722 -0.396 -14.861 7.189 1.00 0.00 N ATOM 0 H HIS B 722 -6.529 -15.356 6.830 1.00 0.00 H new ATOM 0 HA HIS B 722 -4.432 -15.073 4.983 1.00 0.00 H new ATOM 0 HB2 HIS B 722 -4.597 -13.860 7.147 1.00 0.00 H new ATOM 0 HB3 HIS B 722 -4.400 -15.364 8.024 1.00 0.00 H new ATOM 0 HD1 HIS B 722 -2.519 -13.219 5.449 1.00 0.00 H new ATOM 0 HD2 HIS B 722 -1.737 -16.083 8.430 1.00 0.00 H new ATOM 0 HE1 HIS B 722 0.018 -13.400 5.683 1.00 0.00 H new ATOM 244 N ASP B 723 -4.615 -17.971 6.488 1.00 0.00 N ATOM 245 CA ASP B 723 -4.070 -19.323 6.502 1.00 0.00 C ATOM 246 C ASP B 723 -4.219 -19.975 5.132 1.00 0.00 C ATOM 247 O ASP B 723 -3.549 -20.961 4.828 1.00 0.00 O ATOM 248 CB ASP B 723 -4.798 -20.168 7.549 1.00 0.00 C ATOM 249 CG ASP B 723 -4.400 -19.719 8.950 1.00 0.00 C ATOM 250 OD1 ASP B 723 -3.466 -18.942 9.058 1.00 0.00 O ATOM 251 OD2 ASP B 723 -5.035 -20.156 9.894 1.00 0.00 O ATOM 0 H ASP B 723 -5.481 -17.856 7.014 1.00 0.00 H new ATOM 0 HA ASP B 723 -3.011 -19.264 6.752 1.00 0.00 H new ATOM 0 HB2 ASP B 723 -5.876 -20.072 7.420 1.00 0.00 H new ATOM 0 HB3 ASP B 723 -4.553 -21.221 7.412 1.00 0.00 H new ATOM 256 N ARG B 724 -5.096 -19.414 4.304 1.00 0.00 N ATOM 257 CA ARG B 724 -5.321 -19.947 2.965 1.00 0.00 C ATOM 258 C ARG B 724 -4.327 -19.345 1.977 1.00 0.00 C ATOM 259 O ARG B 724 -4.004 -18.160 2.049 1.00 0.00 O ATOM 260 CB ARG B 724 -6.747 -19.635 2.511 1.00 0.00 C ATOM 261 CG ARG B 724 -7.742 -20.350 3.426 1.00 0.00 C ATOM 262 CD ARG B 724 -9.171 -19.985 3.014 1.00 0.00 C ATOM 263 NE ARG B 724 -9.452 -20.494 1.676 1.00 0.00 N ATOM 264 CZ ARG B 724 -9.884 -21.738 1.488 1.00 0.00 C ATOM 265 NH1 ARG B 724 -10.061 -22.528 2.512 1.00 0.00 N ATOM 266 NH2 ARG B 724 -10.130 -22.169 0.282 1.00 0.00 N ATOM 0 H ARG B 724 -5.659 -18.596 4.535 1.00 0.00 H new ATOM 0 HA ARG B 724 -5.179 -21.027 2.995 1.00 0.00 H new ATOM 0 HB2 ARG B 724 -6.921 -18.559 2.537 1.00 0.00 H new ATOM 0 HB3 ARG B 724 -6.890 -19.956 1.479 1.00 0.00 H new ATOM 0 HG2 ARG B 724 -7.599 -21.429 3.364 1.00 0.00 H new ATOM 0 HG3 ARG B 724 -7.568 -20.065 4.463 1.00 0.00 H new ATOM 0 HD2 ARG B 724 -9.881 -20.403 3.727 1.00 0.00 H new ATOM 0 HD3 ARG B 724 -9.298 -18.903 3.034 1.00 0.00 H new ATOM 0 HE ARG B 724 -9.315 -19.885 0.870 1.00 0.00 H new ATOM 0 HH11 ARG B 724 -9.868 -22.191 3.455 1.00 0.00 H new ATOM 0 HH12 ARG B 724 -10.392 -23.482 2.369 1.00 0.00 H new ATOM 0 HH21 ARG B 724 -9.991 -21.552 -0.518 1.00 0.00 H new ATOM 0 HH22 ARG B 724 -10.461 -23.123 0.139 1.00 0.00 H new ATOM 280 N LYS B 725 -3.848 -20.170 1.053 1.00 0.00 N ATOM 281 CA LYS B 725 -2.893 -19.711 0.050 1.00 0.00 C ATOM 282 C LYS B 725 -3.543 -18.694 -0.882 1.00 0.00 C ATOM 283 O LYS B 725 -2.859 -17.877 -1.499 1.00 0.00 O ATOM 284 CB LYS B 725 -2.376 -20.898 -0.765 1.00 0.00 C ATOM 285 CG LYS B 725 -1.497 -21.783 0.122 1.00 0.00 C ATOM 286 CD LYS B 725 -0.998 -22.982 -0.687 1.00 0.00 C ATOM 287 CE LYS B 725 -0.182 -23.905 0.219 1.00 0.00 C ATOM 288 NZ LYS B 725 0.971 -23.151 0.787 1.00 0.00 N ATOM 0 H LYS B 725 -4.103 -21.155 0.977 1.00 0.00 H new ATOM 0 HA LYS B 725 -2.058 -19.235 0.563 1.00 0.00 H new ATOM 0 HB2 LYS B 725 -3.213 -21.476 -1.157 1.00 0.00 H new ATOM 0 HB3 LYS B 725 -1.804 -20.543 -1.622 1.00 0.00 H new ATOM 0 HG2 LYS B 725 -0.651 -21.210 0.501 1.00 0.00 H new ATOM 0 HG3 LYS B 725 -2.064 -22.126 0.988 1.00 0.00 H new ATOM 0 HD2 LYS B 725 -1.843 -23.525 -1.111 1.00 0.00 H new ATOM 0 HD3 LYS B 725 -0.386 -22.641 -1.522 1.00 0.00 H new ATOM 0 HE2 LYS B 725 -0.809 -24.291 1.023 1.00 0.00 H new ATOM 0 HE3 LYS B 725 0.176 -24.765 -0.347 1.00 0.00 H new ATOM 0 HZ1 LYS B 725 1.697 -23.821 1.112 1.00 0.00 H new ATOM 0 HZ2 LYS B 725 1.374 -22.531 0.056 1.00 0.00 H new ATOM 0 HZ3 LYS B 725 0.647 -22.575 1.590 1.00 0.00 H new ATOM 302 N GLU B 726 -4.867 -18.752 -0.982 1.00 0.00 N ATOM 303 CA GLU B 726 -5.598 -17.834 -1.848 1.00 0.00 C ATOM 304 C GLU B 726 -5.334 -16.389 -1.438 1.00 0.00 C ATOM 305 O GLU B 726 -5.253 -15.499 -2.284 1.00 0.00 O ATOM 306 CB GLU B 726 -7.099 -18.125 -1.767 1.00 0.00 C ATOM 307 CG GLU B 726 -7.850 -17.213 -2.740 1.00 0.00 C ATOM 308 CD GLU B 726 -9.335 -17.556 -2.734 1.00 0.00 C ATOM 309 OE1 GLU B 726 -9.671 -18.640 -2.286 1.00 0.00 O ATOM 310 OE2 GLU B 726 -10.114 -16.731 -3.182 1.00 0.00 O ATOM 0 H GLU B 726 -5.452 -19.419 -0.479 1.00 0.00 H new ATOM 0 HA GLU B 726 -5.255 -17.977 -2.873 1.00 0.00 H new ATOM 0 HB2 GLU B 726 -7.291 -19.170 -2.010 1.00 0.00 H new ATOM 0 HB3 GLU B 726 -7.457 -17.963 -0.750 1.00 0.00 H new ATOM 0 HG2 GLU B 726 -7.708 -16.170 -2.457 1.00 0.00 H new ATOM 0 HG3 GLU B 726 -7.446 -17.328 -3.746 1.00 0.00 H new ATOM 317 N PHE B 727 -5.197 -16.164 -0.138 1.00 0.00 N ATOM 318 CA PHE B 727 -4.939 -14.825 0.373 1.00 0.00 C ATOM 319 C PHE B 727 -3.628 -14.282 -0.189 1.00 0.00 C ATOM 320 O PHE B 727 -3.547 -13.122 -0.591 1.00 0.00 O ATOM 321 CB PHE B 727 -4.874 -14.849 1.900 1.00 0.00 C ATOM 322 CG PHE B 727 -4.848 -13.433 2.431 1.00 0.00 C ATOM 323 CD1 PHE B 727 -5.951 -12.590 2.226 1.00 0.00 C ATOM 324 CD2 PHE B 727 -3.729 -12.961 3.127 1.00 0.00 C ATOM 325 CE1 PHE B 727 -5.930 -11.280 2.714 1.00 0.00 C ATOM 326 CE2 PHE B 727 -3.711 -11.650 3.616 1.00 0.00 C ATOM 327 CZ PHE B 727 -4.810 -10.809 3.408 1.00 0.00 C ATOM 0 H PHE B 727 -5.260 -16.887 0.578 1.00 0.00 H new ATOM 0 HA PHE B 727 -5.754 -14.173 0.058 1.00 0.00 H new ATOM 0 HB2 PHE B 727 -5.735 -15.383 2.302 1.00 0.00 H new ATOM 0 HB3 PHE B 727 -3.984 -15.387 2.227 1.00 0.00 H new ATOM 0 HD1 PHE B 727 -6.816 -12.953 1.691 1.00 0.00 H new ATOM 0 HD2 PHE B 727 -2.880 -13.609 3.287 1.00 0.00 H new ATOM 0 HE1 PHE B 727 -6.779 -10.631 2.555 1.00 0.00 H new ATOM 0 HE2 PHE B 727 -2.848 -11.287 4.154 1.00 0.00 H new ATOM 0 HZ PHE B 727 -4.794 -9.796 3.783 1.00 0.00 H new ATOM 337 N ALA B 728 -2.604 -15.128 -0.212 1.00 0.00 N ATOM 338 CA ALA B 728 -1.302 -14.724 -0.725 1.00 0.00 C ATOM 339 C ALA B 728 -1.411 -14.317 -2.191 1.00 0.00 C ATOM 340 O ALA B 728 -0.770 -13.361 -2.627 1.00 0.00 O ATOM 341 CB ALA B 728 -0.308 -15.880 -0.589 1.00 0.00 C ATOM 0 H ALA B 728 -2.650 -16.092 0.117 1.00 0.00 H new ATOM 0 HA ALA B 728 -0.950 -13.871 -0.145 1.00 0.00 H new ATOM 0 HB1 ALA B 728 0.664 -15.572 -0.974 1.00 0.00 H new ATOM 0 HB2 ALA B 728 -0.211 -16.155 0.461 1.00 0.00 H new ATOM 0 HB3 ALA B 728 -0.668 -16.738 -1.157 1.00 0.00 H new ATOM 347 N LYS B 729 -2.227 -15.045 -2.946 1.00 0.00 N ATOM 348 CA LYS B 729 -2.412 -14.746 -4.362 1.00 0.00 C ATOM 349 C LYS B 729 -2.996 -13.347 -4.541 1.00 0.00 C ATOM 350 O LYS B 729 -2.563 -12.591 -5.410 1.00 0.00 O ATOM 351 CB LYS B 729 -3.347 -15.777 -4.995 1.00 0.00 C ATOM 352 CG LYS B 729 -2.657 -17.143 -5.025 1.00 0.00 C ATOM 353 CD LYS B 729 -3.594 -18.175 -5.655 1.00 0.00 C ATOM 354 CE LYS B 729 -2.876 -19.522 -5.756 1.00 0.00 C ATOM 355 NZ LYS B 729 -2.593 -20.038 -4.386 1.00 0.00 N ATOM 0 H LYS B 729 -2.767 -15.840 -2.605 1.00 0.00 H new ATOM 0 HA LYS B 729 -1.440 -14.788 -4.854 1.00 0.00 H new ATOM 0 HB2 LYS B 729 -4.275 -15.839 -4.427 1.00 0.00 H new ATOM 0 HB3 LYS B 729 -3.613 -15.470 -6.007 1.00 0.00 H new ATOM 0 HG2 LYS B 729 -1.730 -17.082 -5.596 1.00 0.00 H new ATOM 0 HG3 LYS B 729 -2.389 -17.449 -4.014 1.00 0.00 H new ATOM 0 HD2 LYS B 729 -4.497 -18.277 -5.054 1.00 0.00 H new ATOM 0 HD3 LYS B 729 -3.906 -17.842 -6.645 1.00 0.00 H new ATOM 0 HE2 LYS B 729 -3.492 -20.234 -6.304 1.00 0.00 H new ATOM 0 HE3 LYS B 729 -1.946 -19.410 -6.313 1.00 0.00 H new ATOM 0 HZ1 LYS B 729 -2.376 -21.054 -4.436 1.00 0.00 H new ATOM 0 HZ2 LYS B 729 -1.779 -19.530 -3.985 1.00 0.00 H new ATOM 0 HZ3 LYS B 729 -3.426 -19.891 -3.781 1.00 0.00 H new ATOM 369 N PHE B 730 -3.972 -13.005 -3.706 1.00 0.00 N ATOM 370 CA PHE B 730 -4.599 -11.692 -3.768 1.00 0.00 C ATOM 371 C PHE B 730 -3.566 -10.599 -3.513 1.00 0.00 C ATOM 372 O PHE B 730 -3.550 -9.576 -4.196 1.00 0.00 O ATOM 373 CB PHE B 730 -5.717 -11.595 -2.732 1.00 0.00 C ATOM 374 CG PHE B 730 -6.355 -10.229 -2.807 1.00 0.00 C ATOM 375 CD1 PHE B 730 -7.356 -9.971 -3.750 1.00 0.00 C ATOM 376 CD2 PHE B 730 -5.943 -9.218 -1.930 1.00 0.00 C ATOM 377 CE1 PHE B 730 -7.944 -8.704 -3.818 1.00 0.00 C ATOM 378 CE2 PHE B 730 -6.530 -7.951 -1.999 1.00 0.00 C ATOM 379 CZ PHE B 730 -7.531 -7.693 -2.942 1.00 0.00 C ATOM 0 H PHE B 730 -4.344 -13.618 -2.981 1.00 0.00 H new ATOM 0 HA PHE B 730 -5.020 -11.556 -4.764 1.00 0.00 H new ATOM 0 HB2 PHE B 730 -6.464 -12.368 -2.914 1.00 0.00 H new ATOM 0 HB3 PHE B 730 -5.317 -11.767 -1.733 1.00 0.00 H new ATOM 0 HD1 PHE B 730 -7.675 -10.751 -4.426 1.00 0.00 H new ATOM 0 HD2 PHE B 730 -5.172 -9.417 -1.200 1.00 0.00 H new ATOM 0 HE1 PHE B 730 -8.717 -8.505 -4.546 1.00 0.00 H new ATOM 0 HE2 PHE B 730 -6.211 -7.171 -1.324 1.00 0.00 H new ATOM 0 HZ PHE B 730 -7.985 -6.714 -2.994 1.00 0.00 H new ATOM 389 N GLU B 731 -2.705 -10.824 -2.525 1.00 0.00 N ATOM 390 CA GLU B 731 -1.672 -9.850 -2.190 1.00 0.00 C ATOM 391 C GLU B 731 -0.802 -9.555 -3.409 1.00 0.00 C ATOM 392 O GLU B 731 -0.460 -8.403 -3.671 1.00 0.00 O ATOM 393 CB GLU B 731 -0.798 -10.390 -1.054 1.00 0.00 C ATOM 394 CG GLU B 731 -1.595 -10.391 0.249 1.00 0.00 C ATOM 395 CD GLU B 731 -0.760 -11.006 1.367 1.00 0.00 C ATOM 396 OE1 GLU B 731 0.361 -11.400 1.096 1.00 0.00 O ATOM 397 OE2 GLU B 731 -1.254 -11.073 2.478 1.00 0.00 O ATOM 0 H GLU B 731 -2.701 -11.664 -1.947 1.00 0.00 H new ATOM 0 HA GLU B 731 -2.155 -8.927 -1.870 1.00 0.00 H new ATOM 0 HB2 GLU B 731 -0.463 -11.401 -1.288 1.00 0.00 H new ATOM 0 HB3 GLU B 731 0.095 -9.775 -0.945 1.00 0.00 H new ATOM 0 HG2 GLU B 731 -1.878 -9.372 0.513 1.00 0.00 H new ATOM 0 HG3 GLU B 731 -2.519 -10.955 0.120 1.00 0.00 H new ATOM 404 N GLU B 732 -0.453 -10.600 -4.151 1.00 0.00 N ATOM 405 CA GLU B 732 0.370 -10.438 -5.340 1.00 0.00 C ATOM 406 C GLU B 732 -0.384 -9.652 -6.410 1.00 0.00 C ATOM 407 O GLU B 732 0.202 -8.845 -7.130 1.00 0.00 O ATOM 408 CB GLU B 732 0.760 -11.808 -5.896 1.00 0.00 C ATOM 409 CG GLU B 732 1.620 -12.547 -4.869 1.00 0.00 C ATOM 410 CD GLU B 732 2.042 -13.905 -5.422 1.00 0.00 C ATOM 411 OE1 GLU B 732 1.701 -14.192 -6.558 1.00 0.00 O ATOM 412 OE2 GLU B 732 2.700 -14.637 -4.701 1.00 0.00 O ATOM 0 H GLU B 732 -0.726 -11.562 -3.951 1.00 0.00 H new ATOM 0 HA GLU B 732 1.269 -9.887 -5.064 1.00 0.00 H new ATOM 0 HB2 GLU B 732 -0.134 -12.389 -6.123 1.00 0.00 H new ATOM 0 HB3 GLU B 732 1.310 -11.691 -6.830 1.00 0.00 H new ATOM 0 HG2 GLU B 732 2.502 -11.954 -4.627 1.00 0.00 H new ATOM 0 HG3 GLU B 732 1.061 -12.680 -3.943 1.00 0.00 H new ATOM 419 N GLU B 733 -1.687 -9.895 -6.508 1.00 0.00 N ATOM 420 CA GLU B 733 -2.511 -9.207 -7.494 1.00 0.00 C ATOM 421 C GLU B 733 -2.501 -7.706 -7.234 1.00 0.00 C ATOM 422 O GLU B 733 -2.502 -6.915 -8.168 1.00 0.00 O ATOM 423 CB GLU B 733 -3.947 -9.729 -7.432 1.00 0.00 C ATOM 424 CG GLU B 733 -4.765 -9.119 -8.573 1.00 0.00 C ATOM 425 CD GLU B 733 -6.193 -9.652 -8.535 1.00 0.00 C ATOM 426 OE1 GLU B 733 -6.545 -10.277 -7.549 1.00 0.00 O ATOM 427 OE2 GLU B 733 -6.913 -9.427 -9.495 1.00 0.00 O ATOM 0 H GLU B 733 -2.192 -10.559 -5.921 1.00 0.00 H new ATOM 0 HA GLU B 733 -2.101 -9.399 -8.485 1.00 0.00 H new ATOM 0 HB2 GLU B 733 -3.953 -10.816 -7.508 1.00 0.00 H new ATOM 0 HB3 GLU B 733 -4.396 -9.474 -6.472 1.00 0.00 H new ATOM 0 HG2 GLU B 733 -4.771 -8.032 -8.486 1.00 0.00 H new ATOM 0 HG3 GLU B 733 -4.304 -9.360 -9.531 1.00 0.00 H new ATOM 434 N ARG B 734 -2.495 -7.316 -5.963 1.00 0.00 N ATOM 435 CA ARG B 734 -2.481 -5.905 -5.608 1.00 0.00 C ATOM 436 C ARG B 734 -1.140 -5.275 -5.970 1.00 0.00 C ATOM 437 O ARG B 734 -1.084 -4.153 -6.468 1.00 0.00 O ATOM 438 CB ARG B 734 -2.734 -5.751 -4.109 1.00 0.00 C ATOM 439 CG ARG B 734 -2.828 -4.268 -3.756 1.00 0.00 C ATOM 440 CD ARG B 734 -3.071 -4.114 -2.259 1.00 0.00 C ATOM 441 NE ARG B 734 -4.387 -4.630 -1.900 1.00 0.00 N ATOM 442 CZ ARG B 734 -5.483 -3.893 -2.059 1.00 0.00 C ATOM 443 NH1 ARG B 734 -5.392 -2.684 -2.543 1.00 0.00 N ATOM 444 NH2 ARG B 734 -6.648 -4.378 -1.732 1.00 0.00 N ATOM 0 H ARG B 734 -2.500 -7.954 -5.168 1.00 0.00 H new ATOM 0 HA ARG B 734 -3.267 -5.396 -6.166 1.00 0.00 H new ATOM 0 HB2 ARG B 734 -3.657 -6.261 -3.831 1.00 0.00 H new ATOM 0 HB3 ARG B 734 -1.928 -6.220 -3.544 1.00 0.00 H new ATOM 0 HG2 ARG B 734 -1.908 -3.757 -4.040 1.00 0.00 H new ATOM 0 HG3 ARG B 734 -3.638 -3.801 -4.316 1.00 0.00 H new ATOM 0 HD2 ARG B 734 -2.300 -4.648 -1.703 1.00 0.00 H new ATOM 0 HD3 ARG B 734 -2.997 -3.063 -1.979 1.00 0.00 H new ATOM 0 HE ARG B 734 -4.469 -5.573 -1.520 1.00 0.00 H new ATOM 0 HH11 ARG B 734 -4.481 -2.305 -2.799 1.00 0.00 H new ATOM 0 HH12 ARG B 734 -6.232 -2.119 -2.665 1.00 0.00 H new ATOM 0 HH21 ARG B 734 -6.719 -5.323 -1.354 1.00 0.00 H new ATOM 0 HH22 ARG B 734 -7.488 -3.813 -1.854 1.00 0.00 H new ATOM 458 N ALA B 735 -0.062 -6.004 -5.700 1.00 0.00 N ATOM 459 CA ALA B 735 1.278 -5.503 -5.987 1.00 0.00 C ATOM 460 C ALA B 735 1.444 -5.231 -7.478 1.00 0.00 C ATOM 461 O ALA B 735 2.261 -4.409 -7.878 1.00 0.00 O ATOM 462 CB ALA B 735 2.330 -6.519 -5.533 1.00 0.00 C ATOM 0 H ALA B 735 -0.089 -6.936 -5.286 1.00 0.00 H new ATOM 0 HA ALA B 735 1.416 -4.570 -5.441 1.00 0.00 H new ATOM 0 HB1 ALA B 735 3.326 -6.134 -5.752 1.00 0.00 H new ATOM 0 HB2 ALA B 735 2.234 -6.687 -4.460 1.00 0.00 H new ATOM 0 HB3 ALA B 735 2.180 -7.460 -6.063 1.00 0.00 H new ATOM 468 N ARG B 736 0.673 -5.934 -8.299 1.00 0.00 N ATOM 469 CA ARG B 736 0.764 -5.764 -9.737 1.00 0.00 C ATOM 470 C ARG B 736 0.368 -4.343 -10.136 1.00 0.00 C ATOM 471 O ARG B 736 0.773 -3.846 -11.184 1.00 0.00 O ATOM 472 CB ARG B 736 -0.160 -6.786 -10.428 1.00 0.00 C ATOM 473 CG ARG B 736 -1.526 -6.153 -10.730 1.00 0.00 C ATOM 474 CD ARG B 736 -2.529 -7.231 -11.104 1.00 0.00 C ATOM 475 NE ARG B 736 -3.832 -6.631 -11.364 1.00 0.00 N ATOM 476 CZ ARG B 736 -4.834 -7.352 -11.850 1.00 0.00 C ATOM 477 NH1 ARG B 736 -4.658 -8.619 -12.105 1.00 0.00 N ATOM 478 NH2 ARG B 736 -5.992 -6.794 -12.072 1.00 0.00 N ATOM 0 H ARG B 736 -0.016 -6.621 -7.993 1.00 0.00 H new ATOM 0 HA ARG B 736 1.794 -5.931 -10.052 1.00 0.00 H new ATOM 0 HB2 ARG B 736 0.299 -7.134 -11.353 1.00 0.00 H new ATOM 0 HB3 ARG B 736 -0.290 -7.659 -9.789 1.00 0.00 H new ATOM 0 HG2 ARG B 736 -1.881 -5.602 -9.859 1.00 0.00 H new ATOM 0 HG3 ARG B 736 -1.431 -5.435 -11.545 1.00 0.00 H new ATOM 0 HD2 ARG B 736 -2.185 -7.769 -11.987 1.00 0.00 H new ATOM 0 HD3 ARG B 736 -2.609 -7.960 -10.298 1.00 0.00 H new ATOM 0 HE ARG B 736 -3.976 -5.640 -11.169 1.00 0.00 H new ATOM 0 HH11 ARG B 736 -3.752 -9.053 -11.931 1.00 0.00 H new ATOM 0 HH12 ARG B 736 -5.427 -9.176 -12.479 1.00 0.00 H new ATOM 0 HH21 ARG B 736 -6.127 -5.803 -11.872 1.00 0.00 H new ATOM 0 HH22 ARG B 736 -6.762 -7.349 -12.446 1.00 0.00 H new ATOM 598 N ASN B 744 6.783 5.984 -10.085 1.00 0.00 N ATOM 599 CA ASN B 744 7.525 6.674 -11.125 1.00 0.00 C ATOM 600 C ASN B 744 8.553 7.627 -10.514 1.00 0.00 C ATOM 601 O ASN B 744 8.313 8.213 -9.457 1.00 0.00 O ATOM 602 CB ASN B 744 6.574 7.462 -12.028 1.00 0.00 C ATOM 603 CG ASN B 744 5.749 6.501 -12.873 1.00 0.00 C ATOM 604 OD1 ASN B 744 4.985 5.702 -12.335 1.00 0.00 O ATOM 605 ND2 ASN B 744 5.860 6.530 -14.174 1.00 0.00 N ATOM 0 HA ASN B 744 8.046 5.924 -11.720 1.00 0.00 H new ATOM 0 HB2 ASN B 744 5.916 8.085 -11.422 1.00 0.00 H new ATOM 0 HB3 ASN B 744 7.142 8.132 -12.673 1.00 0.00 H new ATOM 0 HD21 ASN B 744 5.312 5.888 -14.747 1.00 0.00 H new ATOM 0 HD22 ASN B 744 6.495 7.194 -14.617 1.00 0.00 H new ATOM 612 N PRO B 745 9.682 7.788 -11.151 1.00 0.00 N ATOM 613 CA PRO B 745 10.767 8.688 -10.658 1.00 0.00 C ATOM 614 C PRO B 745 10.363 10.156 -10.690 1.00 0.00 C ATOM 615 O PRO B 745 10.950 10.989 -10.005 1.00 0.00 O ATOM 616 CB PRO B 745 11.933 8.407 -11.617 1.00 0.00 C ATOM 617 CG PRO B 745 11.301 7.875 -12.862 1.00 0.00 C ATOM 618 CD PRO B 745 10.050 7.136 -12.418 1.00 0.00 C ATOM 0 HA PRO B 745 11.016 8.497 -9.614 1.00 0.00 H new ATOM 0 HB2 PRO B 745 12.501 9.314 -11.821 1.00 0.00 H new ATOM 0 HB3 PRO B 745 12.628 7.685 -11.189 1.00 0.00 H new ATOM 0 HG2 PRO B 745 11.052 8.684 -13.549 1.00 0.00 H new ATOM 0 HG3 PRO B 745 11.982 7.207 -13.389 1.00 0.00 H new ATOM 0 HD2 PRO B 745 9.253 7.221 -13.157 1.00 0.00 H new ATOM 0 HD3 PRO B 745 10.243 6.072 -12.278 1.00 0.00 H new ATOM 626 N LEU B 746 9.365 10.462 -11.492 1.00 0.00 N ATOM 627 CA LEU B 746 8.885 11.834 -11.608 1.00 0.00 C ATOM 628 C LEU B 746 8.203 12.269 -10.314 1.00 0.00 C ATOM 629 O LEU B 746 8.214 13.447 -9.962 1.00 0.00 O ATOM 630 CB LEU B 746 7.903 11.951 -12.782 1.00 0.00 C ATOM 631 CG LEU B 746 8.680 12.110 -14.090 1.00 0.00 C ATOM 632 CD1 LEU B 746 9.579 10.892 -14.298 1.00 0.00 C ATOM 633 CD2 LEU B 746 7.697 12.225 -15.256 1.00 0.00 C ATOM 0 H LEU B 746 8.868 9.787 -12.073 1.00 0.00 H new ATOM 0 HA LEU B 746 9.738 12.487 -11.791 1.00 0.00 H new ATOM 0 HB2 LEU B 746 7.270 11.065 -12.829 1.00 0.00 H new ATOM 0 HB3 LEU B 746 7.244 12.806 -12.633 1.00 0.00 H new ATOM 0 HG LEU B 746 9.293 13.010 -14.043 1.00 0.00 H new ATOM 0 HD11 LEU B 746 10.133 11.004 -15.230 1.00 0.00 H new ATOM 0 HD12 LEU B 746 10.279 10.810 -13.467 1.00 0.00 H new ATOM 0 HD13 LEU B 746 8.966 9.992 -14.346 1.00 0.00 H new ATOM 0 HD21 LEU B 746 8.250 12.338 -16.188 1.00 0.00 H new ATOM 0 HD22 LEU B 746 7.084 11.325 -15.305 1.00 0.00 H new ATOM 0 HD23 LEU B 746 7.056 13.094 -15.107 1.00 0.00 H new ATOM 645 N TYR B 747 7.585 11.310 -9.627 1.00 0.00 N ATOM 646 CA TYR B 747 6.876 11.619 -8.391 1.00 0.00 C ATOM 647 C TYR B 747 7.831 12.178 -7.343 1.00 0.00 C ATOM 648 O TYR B 747 7.560 13.209 -6.727 1.00 0.00 O ATOM 649 CB TYR B 747 6.213 10.350 -7.849 1.00 0.00 C ATOM 650 CG TYR B 747 5.545 10.655 -6.529 1.00 0.00 C ATOM 651 CD1 TYR B 747 4.383 11.436 -6.498 1.00 0.00 C ATOM 652 CD2 TYR B 747 6.084 10.158 -5.337 1.00 0.00 C ATOM 653 CE1 TYR B 747 3.762 11.721 -5.276 1.00 0.00 C ATOM 654 CE2 TYR B 747 5.463 10.441 -4.115 1.00 0.00 C ATOM 655 CZ TYR B 747 4.303 11.222 -4.084 1.00 0.00 C ATOM 656 OH TYR B 747 3.692 11.503 -2.880 1.00 0.00 O ATOM 0 H TYR B 747 7.561 10.328 -9.901 1.00 0.00 H new ATOM 0 HA TYR B 747 6.117 12.371 -8.607 1.00 0.00 H new ATOM 0 HB2 TYR B 747 5.478 9.977 -8.563 1.00 0.00 H new ATOM 0 HB3 TYR B 747 6.958 9.565 -7.719 1.00 0.00 H new ATOM 0 HD1 TYR B 747 3.966 11.819 -7.418 1.00 0.00 H new ATOM 0 HD2 TYR B 747 6.980 9.555 -5.360 1.00 0.00 H new ATOM 0 HE1 TYR B 747 2.867 12.325 -5.252 1.00 0.00 H new ATOM 0 HE2 TYR B 747 5.880 10.056 -3.196 1.00 0.00 H new ATOM 0 HH TYR B 747 4.194 11.081 -2.152 1.00 0.00 H new ATOM 666 N LYS B 748 8.952 11.497 -7.160 1.00 0.00 N ATOM 667 CA LYS B 748 9.956 11.936 -6.194 1.00 0.00 C ATOM 668 C LYS B 748 10.603 13.240 -6.639 1.00 0.00 C ATOM 669 O LYS B 748 10.966 14.081 -5.816 1.00 0.00 O ATOM 670 CB LYS B 748 11.021 10.862 -6.005 1.00 0.00 C ATOM 671 CG LYS B 748 11.549 10.442 -7.367 1.00 0.00 C ATOM 672 CD LYS B 748 12.720 9.467 -7.193 1.00 0.00 C ATOM 673 CE LYS B 748 12.204 8.120 -6.681 1.00 0.00 C ATOM 674 NZ LYS B 748 13.234 7.073 -6.909 1.00 0.00 N ATOM 0 H LYS B 748 9.192 10.643 -7.663 1.00 0.00 H new ATOM 0 HA LYS B 748 9.455 12.106 -5.241 1.00 0.00 H new ATOM 0 HB2 LYS B 748 11.834 11.243 -5.387 1.00 0.00 H new ATOM 0 HB3 LYS B 748 10.600 10.003 -5.483 1.00 0.00 H new ATOM 0 HG2 LYS B 748 10.754 9.971 -7.946 1.00 0.00 H new ATOM 0 HG3 LYS B 748 11.874 11.319 -7.927 1.00 0.00 H new ATOM 0 HD2 LYS B 748 13.236 9.331 -8.144 1.00 0.00 H new ATOM 0 HD3 LYS B 748 13.446 9.878 -6.492 1.00 0.00 H new ATOM 0 HE2 LYS B 748 11.970 8.189 -5.619 1.00 0.00 H new ATOM 0 HE3 LYS B 748 11.280 7.854 -7.195 1.00 0.00 H new ATOM 0 HZ1 LYS B 748 12.882 6.158 -6.561 1.00 0.00 H new ATOM 0 HZ2 LYS B 748 13.437 7.001 -7.927 1.00 0.00 H new ATOM 0 HZ3 LYS B 748 14.105 7.326 -6.399 1.00 0.00 H new ATOM 688 N GLU B 749 10.745 13.402 -7.949 1.00 0.00 N ATOM 689 CA GLU B 749 11.355 14.605 -8.499 1.00 0.00 C ATOM 690 C GLU B 749 10.505 15.828 -8.183 1.00 0.00 C ATOM 691 O GLU B 749 11.028 16.927 -7.997 1.00 0.00 O ATOM 692 CB GLU B 749 11.511 14.464 -10.016 1.00 0.00 C ATOM 693 CG GLU B 749 12.215 15.702 -10.576 1.00 0.00 C ATOM 694 CD GLU B 749 12.450 15.536 -12.072 1.00 0.00 C ATOM 695 OE1 GLU B 749 12.316 14.424 -12.554 1.00 0.00 O ATOM 696 OE2 GLU B 749 12.759 16.526 -12.716 1.00 0.00 O ATOM 0 H GLU B 749 10.448 12.719 -8.646 1.00 0.00 H new ATOM 0 HA GLU B 749 12.337 14.734 -8.044 1.00 0.00 H new ATOM 0 HB2 GLU B 749 12.086 13.568 -10.251 1.00 0.00 H new ATOM 0 HB3 GLU B 749 10.533 14.347 -10.483 1.00 0.00 H new ATOM 0 HG2 GLU B 749 11.610 16.589 -10.391 1.00 0.00 H new ATOM 0 HG3 GLU B 749 13.166 15.852 -10.065 1.00 0.00 H new ATOM 703 N ALA B 750 9.196 15.632 -8.131 1.00 0.00 N ATOM 704 CA ALA B 750 8.279 16.729 -7.844 1.00 0.00 C ATOM 705 C ALA B 750 8.559 17.316 -6.463 1.00 0.00 C ATOM 706 O ALA B 750 8.486 18.529 -6.271 1.00 0.00 O ATOM 707 CB ALA B 750 6.832 16.233 -7.905 1.00 0.00 C ATOM 0 H ALA B 750 8.745 14.730 -8.283 1.00 0.00 H new ATOM 0 HA ALA B 750 8.428 17.506 -8.594 1.00 0.00 H new ATOM 0 HB1 ALA B 750 6.155 17.059 -7.689 1.00 0.00 H new ATOM 0 HB2 ALA B 750 6.623 15.843 -8.901 1.00 0.00 H new ATOM 0 HB3 ALA B 750 6.687 15.443 -7.168 1.00 0.00 H new ATOM 713 N THR B 751 8.877 16.449 -5.505 1.00 0.00 N ATOM 714 CA THR B 751 9.161 16.894 -4.151 1.00 0.00 C ATOM 715 C THR B 751 10.422 17.752 -4.122 1.00 0.00 C ATOM 716 O THR B 751 10.509 18.718 -3.362 1.00 0.00 O ATOM 717 CB THR B 751 9.344 15.683 -3.238 1.00 0.00 C ATOM 718 OG1 THR B 751 10.458 14.920 -3.678 1.00 0.00 O ATOM 719 CG2 THR B 751 8.084 14.816 -3.273 1.00 0.00 C ATOM 0 H THR B 751 8.943 15.441 -5.644 1.00 0.00 H new ATOM 0 HA THR B 751 8.322 17.494 -3.799 1.00 0.00 H new ATOM 0 HB THR B 751 9.518 16.024 -2.218 1.00 0.00 H new ATOM 0 HG1 THR B 751 10.243 14.490 -4.532 1.00 0.00 H new ATOM 0 HG21 THR B 751 8.218 13.953 -2.621 1.00 0.00 H new ATOM 0 HG22 THR B 751 7.230 15.401 -2.930 1.00 0.00 H new ATOM 0 HG23 THR B 751 7.905 14.476 -4.293 1.00 0.00 H new ATOM 727 N SER B 752 11.394 17.395 -4.953 1.00 0.00 N ATOM 728 CA SER B 752 12.646 18.139 -5.017 1.00 0.00 C ATOM 729 C SER B 752 12.393 19.580 -5.442 1.00 0.00 C ATOM 730 O SER B 752 13.016 20.509 -4.930 1.00 0.00 O ATOM 731 CB SER B 752 13.605 17.470 -6.000 1.00 0.00 C ATOM 732 OG SER B 752 14.833 18.188 -6.022 1.00 0.00 O ATOM 0 H SER B 752 11.340 16.599 -5.589 1.00 0.00 H new ATOM 0 HA SER B 752 13.095 18.142 -4.024 1.00 0.00 H new ATOM 0 HB2 SER B 752 13.781 16.435 -5.707 1.00 0.00 H new ATOM 0 HB3 SER B 752 13.165 17.448 -6.997 1.00 0.00 H new ATOM 0 HG SER B 752 15.451 17.760 -6.651 1.00 0.00 H new ATOM 738 N THR B 753 11.475 19.756 -6.382 1.00 0.00 N ATOM 739 CA THR B 753 11.142 21.088 -6.875 1.00 0.00 C ATOM 740 C THR B 753 10.559 21.942 -5.755 1.00 0.00 C ATOM 741 O THR B 753 10.913 23.106 -5.606 1.00 0.00 O ATOM 742 CB THR B 753 10.133 20.990 -8.020 1.00 0.00 C ATOM 743 OG1 THR B 753 10.588 20.033 -8.968 1.00 0.00 O ATOM 744 CG2 THR B 753 9.993 22.354 -8.699 1.00 0.00 C ATOM 0 H THR B 753 10.949 18.998 -6.818 1.00 0.00 H new ATOM 0 HA THR B 753 12.056 21.556 -7.239 1.00 0.00 H new ATOM 0 HB THR B 753 9.165 20.682 -7.626 1.00 0.00 H new ATOM 0 HG1 THR B 753 9.942 19.967 -9.702 1.00 0.00 H new ATOM 0 HG21 THR B 753 9.274 22.282 -9.515 1.00 0.00 H new ATOM 0 HG22 THR B 753 9.646 23.088 -7.972 1.00 0.00 H new ATOM 0 HG23 THR B 753 10.960 22.665 -9.094 1.00 0.00 H new ATOM 752 N PHE B 754 9.669 21.352 -4.970 1.00 0.00 N ATOM 753 CA PHE B 754 9.038 22.069 -3.862 1.00 0.00 C ATOM 754 C PHE B 754 10.088 22.583 -2.896 1.00 0.00 C ATOM 755 O PHE B 754 10.010 23.722 -2.449 1.00 0.00 O ATOM 756 CB PHE B 754 8.071 21.141 -3.125 1.00 0.00 C ATOM 757 CG PHE B 754 7.308 21.931 -2.089 1.00 0.00 C ATOM 758 CD1 PHE B 754 6.412 22.931 -2.493 1.00 0.00 C ATOM 759 CD2 PHE B 754 7.491 21.669 -0.726 1.00 0.00 C ATOM 760 CE1 PHE B 754 5.703 23.665 -1.536 1.00 0.00 C ATOM 761 CE2 PHE B 754 6.782 22.402 0.230 1.00 0.00 C ATOM 762 CZ PHE B 754 5.888 23.401 -0.174 1.00 0.00 C ATOM 0 H PHE B 754 9.366 20.384 -5.076 1.00 0.00 H new ATOM 0 HA PHE B 754 8.487 22.918 -4.267 1.00 0.00 H new ATOM 0 HB2 PHE B 754 7.379 20.684 -3.832 1.00 0.00 H new ATOM 0 HB3 PHE B 754 8.621 20.330 -2.647 1.00 0.00 H new ATOM 0 HD1 PHE B 754 6.269 23.135 -3.544 1.00 0.00 H new ATOM 0 HD2 PHE B 754 8.181 20.899 -0.413 1.00 0.00 H new ATOM 0 HE1 PHE B 754 5.013 24.435 -1.848 1.00 0.00 H new ATOM 0 HE2 PHE B 754 6.924 22.198 1.281 1.00 0.00 H new ATOM 0 HZ PHE B 754 5.341 23.968 0.565 1.00 0.00 H new ATOM 772 N THR B 755 11.069 21.749 -2.588 1.00 0.00 N ATOM 773 CA THR B 755 12.134 22.139 -1.673 1.00 0.00 C ATOM 774 C THR B 755 12.894 23.346 -2.211 1.00 0.00 C ATOM 775 O THR B 755 13.271 24.240 -1.456 1.00 0.00 O ATOM 776 CB THR B 755 13.101 20.972 -1.465 1.00 0.00 C ATOM 777 OG1 THR B 755 12.362 19.794 -1.175 1.00 0.00 O ATOM 778 CG2 THR B 755 14.044 21.285 -0.302 1.00 0.00 C ATOM 0 H THR B 755 11.151 20.801 -2.956 1.00 0.00 H new ATOM 0 HA THR B 755 11.682 22.409 -0.718 1.00 0.00 H new ATOM 0 HB THR B 755 13.687 20.821 -2.371 1.00 0.00 H new ATOM 0 HG1 THR B 755 12.980 19.045 -1.043 1.00 0.00 H new ATOM 0 HG21 THR B 755 14.731 20.452 -0.157 1.00 0.00 H new ATOM 0 HG22 THR B 755 14.611 22.188 -0.526 1.00 0.00 H new ATOM 0 HG23 THR B 755 13.462 21.438 0.607 1.00 0.00 H new ATOM 786 N ASN B 756 13.136 23.353 -3.518 1.00 0.00 N ATOM 787 CA ASN B 756 13.877 24.448 -4.137 1.00 0.00 C ATOM 788 C ASN B 756 13.159 25.776 -3.926 1.00 0.00 C ATOM 789 O ASN B 756 13.743 26.736 -3.424 1.00 0.00 O ATOM 790 CB ASN B 756 14.023 24.183 -5.639 1.00 0.00 C ATOM 791 CG ASN B 756 14.748 25.348 -6.304 1.00 0.00 C ATOM 792 OD1 ASN B 756 15.085 26.330 -5.643 1.00 0.00 O ATOM 793 ND2 ASN B 756 15.008 25.300 -7.582 1.00 0.00 N ATOM 0 H ASN B 756 12.834 22.623 -4.163 1.00 0.00 H new ATOM 0 HA ASN B 756 14.861 24.506 -3.672 1.00 0.00 H new ATOM 0 HB2 ASN B 756 14.577 23.258 -5.802 1.00 0.00 H new ATOM 0 HB3 ASN B 756 13.040 24.050 -6.091 1.00 0.00 H new ATOM 0 HD21 ASN B 756 15.491 26.077 -8.034 1.00 0.00 H new ATOM 0 HD22 ASN B 756 14.728 24.486 -8.129 1.00 0.00 H new ATOM 800 N ILE B 757 11.892 25.824 -4.300 1.00 0.00 N ATOM 801 CA ILE B 757 11.097 27.034 -4.137 1.00 0.00 C ATOM 802 C ILE B 757 10.724 27.246 -2.677 1.00 0.00 C ATOM 803 O ILE B 757 10.793 28.361 -2.162 1.00 0.00 O ATOM 804 CB ILE B 757 9.823 26.952 -5.007 1.00 0.00 C ATOM 805 CG1 ILE B 757 9.621 25.515 -5.481 1.00 0.00 C ATOM 806 CG2 ILE B 757 9.957 27.871 -6.224 1.00 0.00 C ATOM 807 CD1 ILE B 757 8.247 25.373 -6.126 1.00 0.00 C ATOM 0 H ILE B 757 11.390 25.041 -4.719 1.00 0.00 H new ATOM 0 HA ILE B 757 11.696 27.885 -4.462 1.00 0.00 H new ATOM 0 HB ILE B 757 8.967 27.268 -4.411 1.00 0.00 H new ATOM 0 HG12 ILE B 757 10.398 25.245 -6.196 1.00 0.00 H new ATOM 0 HG13 ILE B 757 9.710 24.829 -4.639 1.00 0.00 H new ATOM 0 HG21 ILE B 757 9.054 27.806 -6.831 1.00 0.00 H new ATOM 0 HG22 ILE B 757 10.096 28.899 -5.890 1.00 0.00 H new ATOM 0 HG23 ILE B 757 10.817 27.563 -6.819 1.00 0.00 H new ATOM 0 HD11 ILE B 757 8.108 24.346 -6.463 1.00 0.00 H new ATOM 0 HD12 ILE B 757 7.476 25.624 -5.398 1.00 0.00 H new ATOM 0 HD13 ILE B 757 8.174 26.047 -6.979 1.00 0.00 H new ATOM 819 N THR B 758 10.316 26.171 -2.027 1.00 0.00 N ATOM 820 CA THR B 758 9.915 26.242 -0.629 1.00 0.00 C ATOM 821 C THR B 758 11.101 26.616 0.247 1.00 0.00 C ATOM 822 O THR B 758 10.970 26.755 1.459 1.00 0.00 O ATOM 823 CB THR B 758 9.339 24.900 -0.171 1.00 0.00 C ATOM 824 OG1 THR B 758 8.252 24.538 -1.009 1.00 0.00 O ATOM 825 CG2 THR B 758 8.856 25.008 1.277 1.00 0.00 C ATOM 0 H THR B 758 10.253 25.241 -2.441 1.00 0.00 H new ATOM 0 HA THR B 758 9.148 27.010 -0.533 1.00 0.00 H new ATOM 0 HB THR B 758 10.115 24.138 -0.233 1.00 0.00 H new ATOM 0 HG1 THR B 758 7.846 23.709 -0.679 1.00 0.00 H new ATOM 0 HG21 THR B 758 8.447 24.049 1.597 1.00 0.00 H new ATOM 0 HG22 THR B 758 9.693 25.278 1.921 1.00 0.00 H new ATOM 0 HG23 THR B 758 8.083 25.773 1.347 1.00 0.00 H new