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+ -108:sc= -0.116 (180deg=-1.65) USER MOD Single : B 720 THR OG1 : rot 74:sc= 0.139 USER MOD Single : B 722 HIS : no HD1:sc= 0 X(o=0,f=-0.067) USER MOD Single : B 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 744 ASN : amide:sc= -0.767! K(o=-0.77!,f=-0.012) USER MOD Single : B 747 TYR OH : rot 180:sc= 0 USER MOD Single : B 748 LYS NZ :NH3+ -167:sc= 0.18 (180deg=0.117) USER MOD Single : B 751 THR OG1 : rot -15:sc= 0.427 USER MOD Single : B 752 SER OG : rot -24:sc= 0.283 USER MOD Single : B 753 THR OG1 : rot 63:sc= 0.786 USER MOD Single : B 755 THR OG1 : rot 180:sc= 0.0069 USER MOD Single : B 756 ASN : amide:sc=-0.00914 K(o=-0.0091,f=-1.2) USER MOD Single : B 758 THR OG1 : rot 135:sc= 0.413 USER MOD ----------------------------------------------------------------- ATOM 12 N PRO B 710 -3.543 -12.605 22.377 1.00 0.00 N ATOM 13 CA PRO B 710 -4.644 -13.574 22.103 1.00 0.00 C ATOM 14 C PRO B 710 -4.637 -14.062 20.654 1.00 0.00 C ATOM 15 O PRO B 710 -4.465 -13.278 19.720 1.00 0.00 O ATOM 16 CB PRO B 710 -5.924 -12.774 22.414 1.00 0.00 C ATOM 17 CG PRO B 710 -5.483 -11.682 23.339 1.00 0.00 C ATOM 18 CD PRO B 710 -4.049 -11.344 22.937 1.00 0.00 C ATOM 0 HA PRO B 710 -4.550 -14.480 22.702 1.00 0.00 H new ATOM 0 HB2 PRO B 710 -6.366 -12.367 21.505 1.00 0.00 H new ATOM 0 HB3 PRO B 710 -6.680 -13.405 22.881 1.00 0.00 H new ATOM 0 HG2 PRO B 710 -6.130 -10.809 23.249 1.00 0.00 H new ATOM 0 HG3 PRO B 710 -5.531 -12.008 24.378 1.00 0.00 H new ATOM 0 HD2 PRO B 710 -4.017 -10.538 22.204 1.00 0.00 H new ATOM 0 HD3 PRO B 710 -3.458 -11.019 23.793 1.00 0.00 H new ATOM 26 N GLU B 711 -4.834 -15.361 20.480 1.00 0.00 N ATOM 27 CA GLU B 711 -4.855 -15.950 19.149 1.00 0.00 C ATOM 28 C GLU B 711 -6.093 -15.502 18.387 1.00 0.00 C ATOM 29 O GLU B 711 -6.061 -15.355 17.166 1.00 0.00 O ATOM 30 CB GLU B 711 -4.833 -17.481 19.244 1.00 0.00 C ATOM 31 CG GLU B 711 -3.490 -17.947 19.837 1.00 0.00 C ATOM 32 CD GLU B 711 -3.518 -17.847 21.361 1.00 0.00 C ATOM 33 OE1 GLU B 711 -4.505 -17.362 21.887 1.00 0.00 O ATOM 34 OE2 GLU B 711 -2.561 -18.281 21.980 1.00 0.00 O ATOM 0 H GLU B 711 -4.981 -16.025 21.240 1.00 0.00 H new ATOM 0 HA GLU B 711 -3.968 -15.613 18.612 1.00 0.00 H new ATOM 0 HB2 GLU B 711 -5.657 -17.828 19.868 1.00 0.00 H new ATOM 0 HB3 GLU B 711 -4.976 -17.918 18.256 1.00 0.00 H new ATOM 0 HG2 GLU B 711 -3.290 -18.976 19.537 1.00 0.00 H new ATOM 0 HG3 GLU B 711 -2.679 -17.336 19.441 1.00 0.00 H new ATOM 41 N CYS B 712 -7.185 -15.293 19.112 1.00 0.00 N ATOM 42 CA CYS B 712 -8.431 -14.871 18.485 1.00 0.00 C ATOM 43 C CYS B 712 -8.242 -13.535 17.776 1.00 0.00 C ATOM 44 O CYS B 712 -8.689 -13.355 16.643 1.00 0.00 O ATOM 45 CB CYS B 712 -9.525 -14.737 19.547 1.00 0.00 C ATOM 46 SG CYS B 712 -9.847 -16.355 20.290 1.00 0.00 S ATOM 0 H CYS B 712 -7.234 -15.407 20.124 1.00 0.00 H new ATOM 0 HA CYS B 712 -8.725 -15.622 17.752 1.00 0.00 H new ATOM 0 HB2 CYS B 712 -9.216 -14.027 20.315 1.00 0.00 H new ATOM 0 HB3 CYS B 712 -10.437 -14.344 19.097 1.00 0.00 H new ATOM 0 HG CYS B 712 -10.775 -16.241 21.194 1.00 0.00 H new ATOM 52 N LEU B 713 -7.576 -12.603 18.444 1.00 0.00 N ATOM 53 CA LEU B 713 -7.333 -11.290 17.859 1.00 0.00 C ATOM 54 C LEU B 713 -6.447 -11.402 16.630 1.00 0.00 C ATOM 55 O LEU B 713 -6.694 -10.752 15.615 1.00 0.00 O ATOM 56 CB LEU B 713 -6.669 -10.377 18.893 1.00 0.00 C ATOM 57 CG LEU B 713 -7.655 -10.070 20.032 1.00 0.00 C ATOM 58 CD1 LEU B 713 -6.947 -9.239 21.113 1.00 0.00 C ATOM 59 CD2 LEU B 713 -8.881 -9.293 19.492 1.00 0.00 C ATOM 0 H LEU B 713 -7.197 -12.729 19.383 1.00 0.00 H new ATOM 0 HA LEU B 713 -8.290 -10.864 17.558 1.00 0.00 H new ATOM 0 HB2 LEU B 713 -5.776 -10.856 19.293 1.00 0.00 H new ATOM 0 HB3 LEU B 713 -6.348 -9.450 18.419 1.00 0.00 H new ATOM 0 HG LEU B 713 -8.001 -11.010 20.462 1.00 0.00 H new ATOM 0 HD11 LEU B 713 -7.646 -9.021 21.921 1.00 0.00 H new ATOM 0 HD12 LEU B 713 -6.100 -9.801 21.507 1.00 0.00 H new ATOM 0 HD13 LEU B 713 -6.592 -8.304 20.679 1.00 0.00 H new ATOM 0 HD21 LEU B 713 -9.569 -9.084 20.311 1.00 0.00 H new ATOM 0 HD22 LEU B 713 -8.550 -8.354 19.047 1.00 0.00 H new ATOM 0 HD23 LEU B 713 -9.388 -9.893 18.737 1.00 0.00 H new ATOM 71 N ILE B 714 -5.417 -12.229 16.727 1.00 0.00 N ATOM 72 CA ILE B 714 -4.501 -12.417 15.611 1.00 0.00 C ATOM 73 C ILE B 714 -5.233 -13.033 14.421 1.00 0.00 C ATOM 74 O ILE B 714 -5.044 -12.616 13.280 1.00 0.00 O ATOM 75 CB ILE B 714 -3.343 -13.326 16.034 1.00 0.00 C ATOM 76 CG1 ILE B 714 -2.482 -12.600 17.071 1.00 0.00 C ATOM 77 CG2 ILE B 714 -2.484 -13.671 14.813 1.00 0.00 C ATOM 78 CD1 ILE B 714 -1.486 -13.585 17.686 1.00 0.00 C ATOM 0 H ILE B 714 -5.195 -12.776 17.559 1.00 0.00 H new ATOM 0 HA ILE B 714 -4.106 -11.445 15.316 1.00 0.00 H new ATOM 0 HB ILE B 714 -3.743 -14.244 16.465 1.00 0.00 H new ATOM 0 HG12 ILE B 714 -1.949 -11.773 16.602 1.00 0.00 H new ATOM 0 HG13 ILE B 714 -3.114 -12.172 17.849 1.00 0.00 H new ATOM 0 HG21 ILE B 714 -1.661 -14.318 15.118 1.00 0.00 H new ATOM 0 HG22 ILE B 714 -3.095 -14.186 14.072 1.00 0.00 H new ATOM 0 HG23 ILE B 714 -2.084 -12.755 14.379 1.00 0.00 H new ATOM 0 HD11 ILE B 714 -0.873 -13.069 18.424 1.00 0.00 H new ATOM 0 HD12 ILE B 714 -2.029 -14.397 18.169 1.00 0.00 H new ATOM 0 HD13 ILE B 714 -0.846 -13.992 16.903 1.00 0.00 H new ATOM 90 N TRP B 715 -6.064 -14.033 14.698 1.00 0.00 N ATOM 91 CA TRP B 715 -6.812 -14.704 13.640 1.00 0.00 C ATOM 92 C TRP B 715 -7.776 -13.736 12.964 1.00 0.00 C ATOM 93 O TRP B 715 -7.821 -13.644 11.738 1.00 0.00 O ATOM 94 CB TRP B 715 -7.594 -15.882 14.224 1.00 0.00 C ATOM 95 CG TRP B 715 -8.367 -16.553 13.135 1.00 0.00 C ATOM 96 CD1 TRP B 715 -7.830 -17.058 12.000 1.00 0.00 C ATOM 97 CD2 TRP B 715 -9.800 -16.809 13.059 1.00 0.00 C ATOM 98 NE1 TRP B 715 -8.842 -17.602 11.231 1.00 0.00 N ATOM 99 CE2 TRP B 715 -10.074 -17.474 11.840 1.00 0.00 C ATOM 100 CE3 TRP B 715 -10.877 -16.529 13.918 1.00 0.00 C ATOM 101 CZ2 TRP B 715 -11.371 -17.849 11.488 1.00 0.00 C ATOM 102 CZ3 TRP B 715 -12.183 -16.905 13.567 1.00 0.00 C ATOM 103 CH2 TRP B 715 -12.430 -17.564 12.354 1.00 0.00 C ATOM 0 H TRP B 715 -6.236 -14.394 15.636 1.00 0.00 H new ATOM 0 HA TRP B 715 -6.104 -15.069 12.896 1.00 0.00 H new ATOM 0 HB2 TRP B 715 -6.910 -16.591 14.690 1.00 0.00 H new ATOM 0 HB3 TRP B 715 -8.271 -15.533 15.004 1.00 0.00 H new ATOM 0 HD1 TRP B 715 -6.782 -17.039 11.738 1.00 0.00 H new ATOM 0 HE1 TRP B 715 -8.696 -18.044 10.324 1.00 0.00 H new ATOM 0 HE3 TRP B 715 -10.698 -16.021 14.854 1.00 0.00 H new ATOM 0 HZ2 TRP B 715 -11.555 -18.356 10.552 1.00 0.00 H new ATOM 0 HZ3 TRP B 715 -13.003 -16.685 14.235 1.00 0.00 H new ATOM 0 HH2 TRP B 715 -13.437 -17.851 12.090 1.00 0.00 H new ATOM 114 N LYS B 716 -8.541 -13.012 13.772 1.00 0.00 N ATOM 115 CA LYS B 716 -9.502 -12.050 13.246 1.00 0.00 C ATOM 116 C LYS B 716 -8.788 -10.958 12.463 1.00 0.00 C ATOM 117 O LYS B 716 -9.298 -10.467 11.454 1.00 0.00 O ATOM 118 CB LYS B 716 -10.304 -11.427 14.390 1.00 0.00 C ATOM 119 CG LYS B 716 -11.237 -12.480 14.991 1.00 0.00 C ATOM 120 CD LYS B 716 -12.016 -11.867 16.157 1.00 0.00 C ATOM 121 CE LYS B 716 -13.034 -12.879 16.682 1.00 0.00 C ATOM 122 NZ LYS B 716 -12.319 -14.085 17.189 1.00 0.00 N ATOM 0 H LYS B 716 -8.515 -13.072 14.790 1.00 0.00 H new ATOM 0 HA LYS B 716 -10.183 -12.575 12.576 1.00 0.00 H new ATOM 0 HB2 LYS B 716 -9.629 -11.044 15.155 1.00 0.00 H new ATOM 0 HB3 LYS B 716 -10.883 -10.579 14.023 1.00 0.00 H new ATOM 0 HG2 LYS B 716 -11.927 -12.846 14.231 1.00 0.00 H new ATOM 0 HG3 LYS B 716 -10.660 -13.338 15.336 1.00 0.00 H new ATOM 0 HD2 LYS B 716 -11.330 -11.579 16.954 1.00 0.00 H new ATOM 0 HD3 LYS B 716 -12.525 -10.960 15.831 1.00 0.00 H new ATOM 0 HE2 LYS B 716 -13.628 -12.433 17.480 1.00 0.00 H new ATOM 0 HE3 LYS B 716 -13.726 -13.160 15.888 1.00 0.00 H new ATOM 0 HZ1 LYS B 716 -12.470 -14.879 16.534 1.00 0.00 H new ATOM 0 HZ2 LYS B 716 -11.301 -13.882 17.258 1.00 0.00 H new ATOM 0 HZ3 LYS B 716 -12.686 -14.337 18.129 1.00 0.00 H new ATOM 136 N LEU B 717 -7.610 -10.576 12.935 1.00 0.00 N ATOM 137 CA LEU B 717 -6.844 -9.536 12.271 1.00 0.00 C ATOM 138 C LEU B 717 -6.503 -9.956 10.845 1.00 0.00 C ATOM 139 O LEU B 717 -6.556 -9.147 9.919 1.00 0.00 O ATOM 140 CB LEU B 717 -5.553 -9.250 13.051 1.00 0.00 C ATOM 141 CG LEU B 717 -4.699 -8.209 12.305 1.00 0.00 C ATOM 142 CD1 LEU B 717 -5.519 -6.927 12.074 1.00 0.00 C ATOM 143 CD2 LEU B 717 -3.457 -7.884 13.136 1.00 0.00 C ATOM 0 H LEU B 717 -7.169 -10.967 13.767 1.00 0.00 H new ATOM 0 HA LEU B 717 -7.449 -8.630 12.237 1.00 0.00 H new ATOM 0 HB2 LEU B 717 -5.796 -8.884 14.048 1.00 0.00 H new ATOM 0 HB3 LEU B 717 -4.986 -10.172 13.179 1.00 0.00 H new ATOM 0 HG LEU B 717 -4.396 -8.615 11.340 1.00 0.00 H new ATOM 0 HD11 LEU B 717 -4.908 -6.195 11.546 1.00 0.00 H new ATOM 0 HD12 LEU B 717 -6.401 -7.162 11.478 1.00 0.00 H new ATOM 0 HD13 LEU B 717 -5.829 -6.515 13.034 1.00 0.00 H new ATOM 0 HD21 LEU B 717 -2.850 -7.147 12.610 1.00 0.00 H new ATOM 0 HD22 LEU B 717 -3.761 -7.481 14.102 1.00 0.00 H new ATOM 0 HD23 LEU B 717 -2.874 -8.792 13.289 1.00 0.00 H new ATOM 155 N LEU B 718 -6.141 -11.217 10.677 1.00 0.00 N ATOM 156 CA LEU B 718 -5.781 -11.726 9.361 1.00 0.00 C ATOM 157 C LEU B 718 -6.965 -11.633 8.413 1.00 0.00 C ATOM 158 O LEU B 718 -6.811 -11.271 7.246 1.00 0.00 O ATOM 159 CB LEU B 718 -5.328 -13.187 9.485 1.00 0.00 C ATOM 160 CG LEU B 718 -3.874 -13.246 10.002 1.00 0.00 C ATOM 161 CD1 LEU B 718 -3.617 -14.605 10.659 1.00 0.00 C ATOM 162 CD2 LEU B 718 -2.887 -13.057 8.836 1.00 0.00 C ATOM 0 H LEU B 718 -6.088 -11.904 11.429 1.00 0.00 H new ATOM 0 HA LEU B 718 -4.967 -11.123 8.959 1.00 0.00 H new ATOM 0 HB2 LEU B 718 -5.987 -13.724 10.167 1.00 0.00 H new ATOM 0 HB3 LEU B 718 -5.399 -13.682 8.516 1.00 0.00 H new ATOM 0 HG LEU B 718 -3.729 -12.448 10.730 1.00 0.00 H new ATOM 0 HD11 LEU B 718 -2.590 -14.645 11.023 1.00 0.00 H new ATOM 0 HD12 LEU B 718 -4.304 -14.741 11.494 1.00 0.00 H new ATOM 0 HD13 LEU B 718 -3.773 -15.398 9.928 1.00 0.00 H new ATOM 0 HD21 LEU B 718 -1.865 -13.101 9.213 1.00 0.00 H new ATOM 0 HD22 LEU B 718 -3.036 -13.848 8.101 1.00 0.00 H new ATOM 0 HD23 LEU B 718 -3.059 -12.088 8.367 1.00 0.00 H new ATOM 174 N ILE B 719 -8.144 -11.966 8.918 1.00 0.00 N ATOM 175 CA ILE B 719 -9.348 -11.917 8.103 1.00 0.00 C ATOM 176 C ILE B 719 -9.631 -10.486 7.657 1.00 0.00 C ATOM 177 O ILE B 719 -9.969 -10.242 6.499 1.00 0.00 O ATOM 178 CB ILE B 719 -10.539 -12.450 8.898 1.00 0.00 C ATOM 179 CG1 ILE B 719 -10.222 -13.859 9.408 1.00 0.00 C ATOM 180 CG2 ILE B 719 -11.773 -12.504 7.996 1.00 0.00 C ATOM 181 CD1 ILE B 719 -11.339 -14.338 10.337 1.00 0.00 C ATOM 0 H ILE B 719 -8.292 -12.271 9.880 1.00 0.00 H new ATOM 0 HA ILE B 719 -9.194 -12.539 7.221 1.00 0.00 H new ATOM 0 HB ILE B 719 -10.734 -11.790 9.743 1.00 0.00 H new ATOM 0 HG12 ILE B 719 -10.117 -14.545 8.567 1.00 0.00 H new ATOM 0 HG13 ILE B 719 -9.270 -13.858 9.939 1.00 0.00 H new ATOM 0 HG21 ILE B 719 -12.622 -12.884 8.564 1.00 0.00 H new ATOM 0 HG22 ILE B 719 -12.000 -11.503 7.630 1.00 0.00 H new ATOM 0 HG23 ILE B 719 -11.577 -13.164 7.151 1.00 0.00 H new ATOM 0 HD11 ILE B 719 -11.108 -15.341 10.697 1.00 0.00 H new ATOM 0 HD12 ILE B 719 -11.423 -13.659 11.185 1.00 0.00 H new ATOM 0 HD13 ILE B 719 -12.283 -14.356 9.792 1.00 0.00 H new ATOM 193 N THR B 720 -9.497 -9.545 8.585 1.00 0.00 N ATOM 194 CA THR B 720 -9.745 -8.142 8.275 1.00 0.00 C ATOM 195 C THR B 720 -8.781 -7.654 7.200 1.00 0.00 C ATOM 196 O THR B 720 -9.184 -6.983 6.252 1.00 0.00 O ATOM 197 CB THR B 720 -9.578 -7.292 9.538 1.00 0.00 C ATOM 198 OG1 THR B 720 -10.523 -7.706 10.515 1.00 0.00 O ATOM 199 CG2 THR B 720 -9.807 -5.816 9.198 1.00 0.00 C ATOM 0 H THR B 720 -9.220 -9.726 9.550 1.00 0.00 H new ATOM 0 HA THR B 720 -10.765 -8.045 7.904 1.00 0.00 H new ATOM 0 HB THR B 720 -8.569 -7.420 9.930 1.00 0.00 H new ATOM 0 HG1 THR B 720 -10.242 -8.562 10.900 1.00 0.00 H new ATOM 0 HG21 THR B 720 -9.688 -5.213 10.098 1.00 0.00 H new ATOM 0 HG22 THR B 720 -9.081 -5.498 8.449 1.00 0.00 H new ATOM 0 HG23 THR B 720 -10.815 -5.685 8.805 1.00 0.00 H new ATOM 207 N ILE B 721 -7.506 -7.994 7.354 1.00 0.00 N ATOM 208 CA ILE B 721 -6.494 -7.582 6.388 1.00 0.00 C ATOM 209 C ILE B 721 -6.778 -8.200 5.020 1.00 0.00 C ATOM 210 O ILE B 721 -6.682 -7.530 3.991 1.00 0.00 O ATOM 211 CB ILE B 721 -5.107 -8.017 6.872 1.00 0.00 C ATOM 212 CG1 ILE B 721 -4.739 -7.229 8.130 1.00 0.00 C ATOM 213 CG2 ILE B 721 -4.072 -7.735 5.779 1.00 0.00 C ATOM 214 CD1 ILE B 721 -3.511 -7.862 8.787 1.00 0.00 C ATOM 0 H ILE B 721 -7.150 -8.549 8.132 1.00 0.00 H new ATOM 0 HA ILE B 721 -6.523 -6.496 6.295 1.00 0.00 H new ATOM 0 HB ILE B 721 -5.119 -9.084 7.097 1.00 0.00 H new ATOM 0 HG12 ILE B 721 -4.533 -6.190 7.874 1.00 0.00 H new ATOM 0 HG13 ILE B 721 -5.577 -7.225 8.828 1.00 0.00 H new ATOM 0 HG21 ILE B 721 -3.085 -8.045 6.124 1.00 0.00 H new ATOM 0 HG22 ILE B 721 -4.333 -8.291 4.879 1.00 0.00 H new ATOM 0 HG23 ILE B 721 -4.060 -6.668 5.556 1.00 0.00 H new ATOM 0 HD11 ILE B 721 -3.248 -7.301 9.684 1.00 0.00 H new ATOM 0 HD12 ILE B 721 -3.734 -8.894 9.057 1.00 0.00 H new ATOM 0 HD13 ILE B 721 -2.674 -7.843 8.089 1.00 0.00 H new ATOM 226 N HIS B 722 -7.126 -9.482 5.020 1.00 0.00 N ATOM 227 CA HIS B 722 -7.422 -10.186 3.778 1.00 0.00 C ATOM 228 C HIS B 722 -8.670 -9.608 3.118 1.00 0.00 C ATOM 229 O HIS B 722 -8.779 -9.579 1.892 1.00 0.00 O ATOM 230 CB HIS B 722 -7.628 -11.677 4.053 1.00 0.00 C ATOM 231 CG HIS B 722 -7.850 -12.399 2.753 1.00 0.00 C ATOM 232 ND1 HIS B 722 -9.117 -12.741 2.305 1.00 0.00 N ATOM 233 CD2 HIS B 722 -6.979 -12.852 1.792 1.00 0.00 C ATOM 234 CE1 HIS B 722 -8.975 -13.370 1.125 1.00 0.00 C ATOM 235 NE2 HIS B 722 -7.692 -13.465 0.765 1.00 0.00 N ATOM 0 H HIS B 722 -7.210 -10.052 5.861 1.00 0.00 H new ATOM 0 HA HIS B 722 -6.576 -10.059 3.102 1.00 0.00 H new ATOM 0 HB2 HIS B 722 -6.758 -12.087 4.565 1.00 0.00 H new ATOM 0 HB3 HIS B 722 -8.484 -11.822 4.713 1.00 0.00 H new ATOM 0 HD2 HIS B 722 -5.905 -12.748 1.828 1.00 0.00 H new ATOM 0 HE1 HIS B 722 -9.798 -13.752 0.539 1.00 0.00 H new ATOM 0 HE2 HIS B 722 -7.316 -13.894 -0.080 1.00 0.00 H new ATOM 244 N ASP B 723 -9.611 -9.157 3.939 1.00 0.00 N ATOM 245 CA ASP B 723 -10.852 -8.590 3.426 1.00 0.00 C ATOM 246 C ASP B 723 -10.585 -7.257 2.733 1.00 0.00 C ATOM 247 O ASP B 723 -11.222 -6.929 1.732 1.00 0.00 O ATOM 248 CB ASP B 723 -11.842 -8.377 4.573 1.00 0.00 C ATOM 249 CG ASP B 723 -13.149 -7.802 4.037 1.00 0.00 C ATOM 250 OD1 ASP B 723 -13.211 -7.527 2.850 1.00 0.00 O ATOM 251 OD2 ASP B 723 -14.071 -7.648 4.821 1.00 0.00 O ATOM 0 H ASP B 723 -9.539 -9.173 4.956 1.00 0.00 H new ATOM 0 HA ASP B 723 -11.276 -9.287 2.703 1.00 0.00 H new ATOM 0 HB2 ASP B 723 -12.033 -9.323 5.080 1.00 0.00 H new ATOM 0 HB3 ASP B 723 -11.414 -7.700 5.312 1.00 0.00 H new ATOM 256 N ARG B 724 -9.640 -6.493 3.268 1.00 0.00 N ATOM 257 CA ARG B 724 -9.301 -5.201 2.685 1.00 0.00 C ATOM 258 C ARG B 724 -8.654 -5.383 1.316 1.00 0.00 C ATOM 259 O ARG B 724 -7.730 -6.180 1.153 1.00 0.00 O ATOM 260 CB ARG B 724 -8.342 -4.448 3.610 1.00 0.00 C ATOM 261 CG ARG B 724 -9.090 -3.996 4.865 1.00 0.00 C ATOM 262 CD ARG B 724 -8.110 -3.338 5.838 1.00 0.00 C ATOM 263 NE ARG B 724 -7.586 -2.101 5.269 1.00 0.00 N ATOM 264 CZ ARG B 724 -6.653 -1.396 5.899 1.00 0.00 C ATOM 265 NH1 ARG B 724 -6.191 -1.805 7.049 1.00 0.00 N ATOM 266 NH2 ARG B 724 -6.201 -0.291 5.371 1.00 0.00 N ATOM 0 H ARG B 724 -9.100 -6.742 4.096 1.00 0.00 H new ATOM 0 HA ARG B 724 -10.219 -4.625 2.565 1.00 0.00 H new ATOM 0 HB2 ARG B 724 -7.505 -5.091 3.884 1.00 0.00 H new ATOM 0 HB3 ARG B 724 -7.924 -3.584 3.092 1.00 0.00 H new ATOM 0 HG2 ARG B 724 -9.879 -3.293 4.597 1.00 0.00 H new ATOM 0 HG3 ARG B 724 -9.572 -4.850 5.341 1.00 0.00 H new ATOM 0 HD2 ARG B 724 -8.611 -3.128 6.783 1.00 0.00 H new ATOM 0 HD3 ARG B 724 -7.290 -4.022 6.057 1.00 0.00 H new ATOM 0 HE ARG B 724 -7.942 -1.772 4.372 1.00 0.00 H new ATOM 0 HH11 ARG B 724 -6.546 -2.666 7.464 1.00 0.00 H new ATOM 0 HH12 ARG B 724 -5.475 -1.263 7.533 1.00 0.00 H new ATOM 0 HH21 ARG B 724 -6.564 0.032 4.474 1.00 0.00 H new ATOM 0 HH22 ARG B 724 -5.485 0.250 5.855 1.00 0.00 H new ATOM 280 N LYS B 725 -9.146 -4.634 0.337 1.00 0.00 N ATOM 281 CA LYS B 725 -8.615 -4.711 -1.017 1.00 0.00 C ATOM 282 C LYS B 725 -7.292 -3.960 -1.120 1.00 0.00 C ATOM 283 O LYS B 725 -6.517 -4.175 -2.051 1.00 0.00 O ATOM 284 CB LYS B 725 -9.615 -4.121 -2.007 1.00 0.00 C ATOM 285 CG LYS B 725 -10.849 -5.026 -2.085 1.00 0.00 C ATOM 286 CD LYS B 725 -11.916 -4.372 -2.972 1.00 0.00 C ATOM 287 CE LYS B 725 -11.516 -4.483 -4.449 1.00 0.00 C ATOM 288 NZ LYS B 725 -12.685 -4.155 -5.304 1.00 0.00 N ATOM 0 H LYS B 725 -9.910 -3.968 0.455 1.00 0.00 H new ATOM 0 HA LYS B 725 -8.444 -5.760 -1.257 1.00 0.00 H new ATOM 0 HB2 LYS B 725 -9.905 -3.118 -1.694 1.00 0.00 H new ATOM 0 HB3 LYS B 725 -9.157 -4.027 -2.991 1.00 0.00 H new ATOM 0 HG2 LYS B 725 -10.573 -5.999 -2.490 1.00 0.00 H new ATOM 0 HG3 LYS B 725 -11.249 -5.198 -1.086 1.00 0.00 H new ATOM 0 HD2 LYS B 725 -12.880 -4.855 -2.811 1.00 0.00 H new ATOM 0 HD3 LYS B 725 -12.035 -3.324 -2.698 1.00 0.00 H new ATOM 0 HE2 LYS B 725 -10.691 -3.804 -4.666 1.00 0.00 H new ATOM 0 HE3 LYS B 725 -11.164 -5.491 -4.667 1.00 0.00 H new ATOM 0 HZ1 LYS B 725 -12.415 -4.230 -6.305 1.00 0.00 H new ATOM 0 HZ2 LYS B 725 -13.459 -4.820 -5.104 1.00 0.00 H new ATOM 0 HZ3 LYS B 725 -13.001 -3.185 -5.103 1.00 0.00 H new ATOM 302 N GLU B 726 -7.048 -3.070 -0.165 1.00 0.00 N ATOM 303 CA GLU B 726 -5.821 -2.283 -0.171 1.00 0.00 C ATOM 304 C GLU B 726 -4.601 -3.201 -0.157 1.00 0.00 C ATOM 305 O GLU B 726 -3.655 -2.998 -0.918 1.00 0.00 O ATOM 306 CB GLU B 726 -5.786 -1.368 1.057 1.00 0.00 C ATOM 307 CG GLU B 726 -4.621 -0.382 0.933 1.00 0.00 C ATOM 308 CD GLU B 726 -4.916 0.631 -0.166 1.00 0.00 C ATOM 309 OE1 GLU B 726 -6.037 0.639 -0.651 1.00 0.00 O ATOM 310 OE2 GLU B 726 -4.021 1.386 -0.506 1.00 0.00 O ATOM 0 H GLU B 726 -7.676 -2.877 0.615 1.00 0.00 H new ATOM 0 HA GLU B 726 -5.799 -1.678 -1.078 1.00 0.00 H new ATOM 0 HB2 GLU B 726 -6.727 -0.825 1.145 1.00 0.00 H new ATOM 0 HB3 GLU B 726 -5.676 -1.964 1.963 1.00 0.00 H new ATOM 0 HG2 GLU B 726 -4.465 0.132 1.882 1.00 0.00 H new ATOM 0 HG3 GLU B 726 -3.700 -0.920 0.707 1.00 0.00 H new ATOM 317 N PHE B 727 -4.629 -4.217 0.702 1.00 0.00 N ATOM 318 CA PHE B 727 -3.523 -5.157 0.788 1.00 0.00 C ATOM 319 C PHE B 727 -3.369 -5.927 -0.519 1.00 0.00 C ATOM 320 O PHE B 727 -2.260 -6.104 -1.019 1.00 0.00 O ATOM 321 CB PHE B 727 -3.770 -6.133 1.941 1.00 0.00 C ATOM 322 CG PHE B 727 -3.488 -5.450 3.257 1.00 0.00 C ATOM 323 CD1 PHE B 727 -4.441 -4.597 3.822 1.00 0.00 C ATOM 324 CD2 PHE B 727 -2.270 -5.670 3.913 1.00 0.00 C ATOM 325 CE1 PHE B 727 -4.178 -3.963 5.042 1.00 0.00 C ATOM 326 CE2 PHE B 727 -2.006 -5.037 5.132 1.00 0.00 C ATOM 327 CZ PHE B 727 -2.960 -4.184 5.698 1.00 0.00 C ATOM 0 H PHE B 727 -5.400 -4.407 1.342 1.00 0.00 H new ATOM 0 HA PHE B 727 -2.603 -4.601 0.971 1.00 0.00 H new ATOM 0 HB2 PHE B 727 -4.801 -6.485 1.917 1.00 0.00 H new ATOM 0 HB3 PHE B 727 -3.131 -7.009 1.831 1.00 0.00 H new ATOM 0 HD1 PHE B 727 -5.380 -4.427 3.317 1.00 0.00 H new ATOM 0 HD2 PHE B 727 -1.534 -6.329 3.477 1.00 0.00 H new ATOM 0 HE1 PHE B 727 -4.914 -3.303 5.478 1.00 0.00 H new ATOM 0 HE2 PHE B 727 -1.066 -5.207 5.636 1.00 0.00 H new ATOM 0 HZ PHE B 727 -2.757 -3.696 6.640 1.00 0.00 H new ATOM 337 N ALA B 728 -4.490 -6.384 -1.065 1.00 0.00 N ATOM 338 CA ALA B 728 -4.469 -7.134 -2.311 1.00 0.00 C ATOM 339 C ALA B 728 -3.960 -6.263 -3.457 1.00 0.00 C ATOM 340 O ALA B 728 -3.199 -6.728 -4.300 1.00 0.00 O ATOM 341 CB ALA B 728 -5.875 -7.643 -2.639 1.00 0.00 C ATOM 0 H ALA B 728 -5.419 -6.248 -0.666 1.00 0.00 H new ATOM 0 HA ALA B 728 -3.795 -7.982 -2.189 1.00 0.00 H new ATOM 0 HB1 ALA B 728 -5.850 -8.203 -3.574 1.00 0.00 H new ATOM 0 HB2 ALA B 728 -6.224 -8.292 -1.836 1.00 0.00 H new ATOM 0 HB3 ALA B 728 -6.554 -6.796 -2.742 1.00 0.00 H new ATOM 347 N LYS B 729 -4.380 -4.995 -3.487 1.00 0.00 N ATOM 348 CA LYS B 729 -3.963 -4.090 -4.529 1.00 0.00 C ATOM 349 C LYS B 729 -2.446 -3.930 -4.519 1.00 0.00 C ATOM 350 O LYS B 729 -1.809 -3.949 -5.570 1.00 0.00 O ATOM 351 CB LYS B 729 -4.634 -2.737 -4.306 1.00 0.00 C ATOM 352 CG LYS B 729 -4.312 -1.832 -5.477 1.00 0.00 C ATOM 353 CD LYS B 729 -5.079 -0.504 -5.351 1.00 0.00 C ATOM 354 CE LYS B 729 -4.431 0.379 -4.278 1.00 0.00 C ATOM 355 NZ LYS B 729 -4.984 1.757 -4.367 1.00 0.00 N ATOM 0 H LYS B 729 -5.008 -4.585 -2.796 1.00 0.00 H new ATOM 0 HA LYS B 729 -4.257 -4.492 -5.498 1.00 0.00 H new ATOM 0 HB2 LYS B 729 -5.713 -2.862 -4.211 1.00 0.00 H new ATOM 0 HB3 LYS B 729 -4.282 -2.290 -3.376 1.00 0.00 H new ATOM 0 HG2 LYS B 729 -3.240 -1.639 -5.512 1.00 0.00 H new ATOM 0 HG3 LYS B 729 -4.578 -2.326 -6.411 1.00 0.00 H new ATOM 0 HD2 LYS B 729 -5.081 0.016 -6.309 1.00 0.00 H new ATOM 0 HD3 LYS B 729 -6.120 -0.699 -5.093 1.00 0.00 H new ATOM 0 HE2 LYS B 729 -4.619 -0.036 -3.288 1.00 0.00 H new ATOM 0 HE3 LYS B 729 -3.350 0.400 -4.414 1.00 0.00 H new ATOM 0 HZ1 LYS B 729 -4.544 2.355 -3.639 1.00 0.00 H new ATOM 0 HZ2 LYS B 729 -4.783 2.152 -5.308 1.00 0.00 H new ATOM 0 HZ3 LYS B 729 -6.013 1.729 -4.217 1.00 0.00 H new ATOM 369 N PHE B 730 -1.873 -3.774 -3.327 1.00 0.00 N ATOM 370 CA PHE B 730 -0.433 -3.617 -3.200 1.00 0.00 C ATOM 371 C PHE B 730 0.286 -4.847 -3.742 1.00 0.00 C ATOM 372 O PHE B 730 1.265 -4.730 -4.478 1.00 0.00 O ATOM 373 CB PHE B 730 -0.062 -3.410 -1.731 1.00 0.00 C ATOM 374 CG PHE B 730 1.429 -3.202 -1.617 1.00 0.00 C ATOM 375 CD1 PHE B 730 1.987 -1.962 -1.946 1.00 0.00 C ATOM 376 CD2 PHE B 730 2.252 -4.246 -1.184 1.00 0.00 C ATOM 377 CE1 PHE B 730 3.368 -1.767 -1.841 1.00 0.00 C ATOM 378 CE2 PHE B 730 3.632 -4.052 -1.078 1.00 0.00 C ATOM 379 CZ PHE B 730 4.192 -2.811 -1.407 1.00 0.00 C ATOM 0 H PHE B 730 -2.383 -3.754 -2.444 1.00 0.00 H new ATOM 0 HA PHE B 730 -0.125 -2.746 -3.778 1.00 0.00 H new ATOM 0 HB2 PHE B 730 -0.593 -2.547 -1.328 1.00 0.00 H new ATOM 0 HB3 PHE B 730 -0.366 -4.275 -1.142 1.00 0.00 H new ATOM 0 HD1 PHE B 730 1.352 -1.156 -2.281 1.00 0.00 H new ATOM 0 HD2 PHE B 730 1.821 -5.203 -0.931 1.00 0.00 H new ATOM 0 HE1 PHE B 730 3.799 -0.810 -2.095 1.00 0.00 H new ATOM 0 HE2 PHE B 730 4.267 -4.859 -0.742 1.00 0.00 H new ATOM 0 HZ PHE B 730 5.258 -2.660 -1.326 1.00 0.00 H new ATOM 389 N GLU B 731 -0.205 -6.026 -3.371 1.00 0.00 N ATOM 390 CA GLU B 731 0.402 -7.272 -3.830 1.00 0.00 C ATOM 391 C GLU B 731 0.335 -7.380 -5.349 1.00 0.00 C ATOM 392 O GLU B 731 1.327 -7.717 -5.998 1.00 0.00 O ATOM 393 CB GLU B 731 -0.320 -8.466 -3.198 1.00 0.00 C ATOM 394 CG GLU B 731 0.013 -8.541 -1.707 1.00 0.00 C ATOM 395 CD GLU B 731 -0.726 -9.711 -1.067 1.00 0.00 C ATOM 396 OE1 GLU B 731 -1.496 -10.354 -1.763 1.00 0.00 O ATOM 397 OE2 GLU B 731 -0.513 -9.948 0.111 1.00 0.00 O ATOM 0 H GLU B 731 -1.013 -6.145 -2.760 1.00 0.00 H new ATOM 0 HA GLU B 731 1.449 -7.275 -3.527 1.00 0.00 H new ATOM 0 HB2 GLU B 731 -1.397 -8.366 -3.335 1.00 0.00 H new ATOM 0 HB3 GLU B 731 -0.020 -9.389 -3.694 1.00 0.00 H new ATOM 0 HG2 GLU B 731 1.088 -8.661 -1.571 1.00 0.00 H new ATOM 0 HG3 GLU B 731 -0.268 -7.610 -1.216 1.00 0.00 H new ATOM 404 N GLU B 732 -0.833 -7.090 -5.914 1.00 0.00 N ATOM 405 CA GLU B 732 -1.005 -7.159 -7.355 1.00 0.00 C ATOM 406 C GLU B 732 -0.133 -6.114 -8.049 1.00 0.00 C ATOM 407 O GLU B 732 0.453 -6.376 -9.101 1.00 0.00 O ATOM 408 CB GLU B 732 -2.474 -6.922 -7.711 1.00 0.00 C ATOM 409 CG GLU B 732 -3.318 -8.087 -7.194 1.00 0.00 C ATOM 410 CD GLU B 732 -4.786 -7.864 -7.546 1.00 0.00 C ATOM 411 OE1 GLU B 732 -5.074 -6.879 -8.205 1.00 0.00 O ATOM 412 OE2 GLU B 732 -5.600 -8.683 -7.151 1.00 0.00 O ATOM 0 H GLU B 732 -1.666 -6.807 -5.398 1.00 0.00 H new ATOM 0 HA GLU B 732 -0.702 -8.149 -7.696 1.00 0.00 H new ATOM 0 HB2 GLU B 732 -2.819 -5.986 -7.272 1.00 0.00 H new ATOM 0 HB3 GLU B 732 -2.587 -6.828 -8.791 1.00 0.00 H new ATOM 0 HG2 GLU B 732 -2.969 -9.022 -7.631 1.00 0.00 H new ATOM 0 HG3 GLU B 732 -3.204 -8.178 -6.114 1.00 0.00 H new ATOM 419 N GLU B 733 -0.045 -4.931 -7.448 1.00 0.00 N ATOM 420 CA GLU B 733 0.761 -3.857 -8.015 1.00 0.00 C ATOM 421 C GLU B 733 2.241 -4.225 -7.964 1.00 0.00 C ATOM 422 O GLU B 733 3.005 -3.882 -8.867 1.00 0.00 O ATOM 423 CB GLU B 733 0.520 -2.557 -7.244 1.00 0.00 C ATOM 424 CG GLU B 733 1.260 -1.410 -7.935 1.00 0.00 C ATOM 425 CD GLU B 733 0.981 -0.099 -7.209 1.00 0.00 C ATOM 426 OE1 GLU B 733 0.064 -0.075 -6.405 1.00 0.00 O ATOM 427 OE2 GLU B 733 1.685 0.862 -7.470 1.00 0.00 O ATOM 0 H GLU B 733 -0.518 -4.694 -6.576 1.00 0.00 H new ATOM 0 HA GLU B 733 0.470 -3.713 -9.055 1.00 0.00 H new ATOM 0 HB2 GLU B 733 -0.547 -2.341 -7.199 1.00 0.00 H new ATOM 0 HB3 GLU B 733 0.868 -2.661 -6.216 1.00 0.00 H new ATOM 0 HG2 GLU B 733 2.331 -1.610 -7.943 1.00 0.00 H new ATOM 0 HG3 GLU B 733 0.942 -1.335 -8.975 1.00 0.00 H new ATOM 434 N ARG B 734 2.643 -4.930 -6.909 1.00 0.00 N ATOM 435 CA ARG B 734 4.026 -5.338 -6.760 1.00 0.00 C ATOM 436 C ARG B 734 4.435 -6.259 -7.898 1.00 0.00 C ATOM 437 O ARG B 734 5.533 -6.138 -8.437 1.00 0.00 O ATOM 438 CB ARG B 734 4.197 -6.058 -5.416 1.00 0.00 C ATOM 439 CG ARG B 734 4.260 -5.035 -4.263 1.00 0.00 C ATOM 440 CD ARG B 734 5.709 -4.574 -4.060 1.00 0.00 C ATOM 441 NE ARG B 734 6.527 -5.688 -3.592 1.00 0.00 N ATOM 442 CZ ARG B 734 7.833 -5.547 -3.399 1.00 0.00 C ATOM 443 NH1 ARG B 734 8.405 -4.399 -3.634 1.00 0.00 N ATOM 444 NH2 ARG B 734 8.545 -6.558 -2.980 1.00 0.00 N ATOM 0 H ARG B 734 2.029 -5.227 -6.151 1.00 0.00 H new ATOM 0 HA ARG B 734 4.664 -4.455 -6.787 1.00 0.00 H new ATOM 0 HB2 ARG B 734 3.366 -6.745 -5.256 1.00 0.00 H new ATOM 0 HB3 ARG B 734 5.108 -6.657 -5.430 1.00 0.00 H new ATOM 0 HG2 ARG B 734 3.624 -4.179 -4.488 1.00 0.00 H new ATOM 0 HG3 ARG B 734 3.879 -5.483 -3.345 1.00 0.00 H new ATOM 0 HD2 ARG B 734 6.110 -4.186 -4.996 1.00 0.00 H new ATOM 0 HD3 ARG B 734 5.742 -3.759 -3.337 1.00 0.00 H new ATOM 0 HE ARG B 734 6.088 -6.591 -3.410 1.00 0.00 H new ATOM 0 HH11 ARG B 734 7.849 -3.611 -3.966 1.00 0.00 H new ATOM 0 HH12 ARG B 734 9.408 -4.289 -3.486 1.00 0.00 H new ATOM 0 HH21 ARG B 734 8.098 -7.457 -2.801 1.00 0.00 H new ATOM 0 HH22 ARG B 734 9.548 -6.449 -2.832 1.00 0.00 H new ATOM 458 N ALA B 735 3.546 -7.175 -8.260 1.00 0.00 N ATOM 459 CA ALA B 735 3.832 -8.111 -9.339 1.00 0.00 C ATOM 460 C ALA B 735 4.049 -7.360 -10.649 1.00 0.00 C ATOM 461 O ALA B 735 4.909 -7.722 -11.445 1.00 0.00 O ATOM 462 CB ALA B 735 2.673 -9.093 -9.497 1.00 0.00 C ATOM 0 H ALA B 735 2.630 -7.289 -7.827 1.00 0.00 H new ATOM 0 HA ALA B 735 4.740 -8.661 -9.092 1.00 0.00 H new ATOM 0 HB1 ALA B 735 2.894 -9.790 -10.306 1.00 0.00 H new ATOM 0 HB2 ALA B 735 2.536 -9.647 -8.568 1.00 0.00 H new ATOM 0 HB3 ALA B 735 1.760 -8.544 -9.730 1.00 0.00 H new ATOM 468 N ARG B 736 3.266 -6.310 -10.866 1.00 0.00 N ATOM 469 CA ARG B 736 3.396 -5.516 -12.074 1.00 0.00 C ATOM 470 C ARG B 736 4.728 -4.773 -12.097 1.00 0.00 C ATOM 471 O ARG B 736 5.342 -4.608 -13.153 1.00 0.00 O ATOM 472 CB ARG B 736 2.246 -4.519 -12.168 1.00 0.00 C ATOM 473 CG ARG B 736 0.953 -5.258 -12.504 1.00 0.00 C ATOM 474 CD ARG B 736 -0.191 -4.252 -12.639 1.00 0.00 C ATOM 475 NE ARG B 736 -1.417 -4.935 -13.047 1.00 0.00 N ATOM 476 CZ ARG B 736 -2.233 -5.485 -12.157 1.00 0.00 C ATOM 477 NH1 ARG B 736 -1.945 -5.425 -10.889 1.00 0.00 N ATOM 478 NH2 ARG B 736 -3.321 -6.088 -12.552 1.00 0.00 N ATOM 0 H ARG B 736 2.540 -5.993 -10.224 1.00 0.00 H new ATOM 0 HA ARG B 736 3.363 -6.189 -12.931 1.00 0.00 H new ATOM 0 HB2 ARG B 736 2.137 -3.985 -11.224 1.00 0.00 H new ATOM 0 HB3 ARG B 736 2.460 -3.773 -12.934 1.00 0.00 H new ATOM 0 HG2 ARG B 736 1.072 -5.816 -13.433 1.00 0.00 H new ATOM 0 HG3 ARG B 736 0.723 -5.983 -11.723 1.00 0.00 H new ATOM 0 HD2 ARG B 736 -0.349 -3.741 -11.690 1.00 0.00 H new ATOM 0 HD3 ARG B 736 0.070 -3.489 -13.372 1.00 0.00 H new ATOM 0 HE ARG B 736 -1.651 -4.990 -14.038 1.00 0.00 H new ATOM 0 HH11 ARG B 736 -1.093 -4.956 -10.581 1.00 0.00 H new ATOM 0 HH12 ARG B 736 -2.571 -5.847 -10.203 1.00 0.00 H new ATOM 0 HH21 ARG B 736 -3.545 -6.137 -13.546 1.00 0.00 H new ATOM 0 HH22 ARG B 736 -3.947 -6.510 -11.867 1.00 0.00 H new ATOM 598 N ASN B 744 6.891 0.786 -11.344 1.00 0.00 N ATOM 599 CA ASN B 744 7.465 0.739 -10.013 1.00 0.00 C ATOM 600 C ASN B 744 6.744 1.710 -9.076 1.00 0.00 C ATOM 601 O ASN B 744 6.289 2.771 -9.500 1.00 0.00 O ATOM 602 CB ASN B 744 8.953 1.094 -10.056 1.00 0.00 C ATOM 603 CG ASN B 744 9.749 -0.065 -10.638 1.00 0.00 C ATOM 604 OD1 ASN B 744 10.977 -0.072 -10.570 1.00 0.00 O ATOM 605 ND2 ASN B 744 9.115 -1.056 -11.204 1.00 0.00 N ATOM 0 HA ASN B 744 7.346 -0.277 -9.636 1.00 0.00 H new ATOM 0 HB2 ASN B 744 9.104 1.989 -10.660 1.00 0.00 H new ATOM 0 HB3 ASN B 744 9.310 1.323 -9.052 1.00 0.00 H new ATOM 0 HD21 ASN B 744 9.638 -1.841 -11.592 1.00 0.00 H new ATOM 0 HD22 ASN B 744 8.096 -1.045 -11.258 1.00 0.00 H new ATOM 612 N PRO B 745 6.627 1.365 -7.818 1.00 0.00 N ATOM 613 CA PRO B 745 5.941 2.227 -6.810 1.00 0.00 C ATOM 614 C PRO B 745 6.690 3.528 -6.549 1.00 0.00 C ATOM 615 O PRO B 745 6.110 4.518 -6.109 1.00 0.00 O ATOM 616 CB PRO B 745 5.888 1.341 -5.553 1.00 0.00 C ATOM 617 CG PRO B 745 7.004 0.358 -5.717 1.00 0.00 C ATOM 618 CD PRO B 745 7.135 0.123 -7.217 1.00 0.00 C ATOM 0 HA PRO B 745 4.955 2.549 -7.147 1.00 0.00 H new ATOM 0 HB2 PRO B 745 6.016 1.934 -4.648 1.00 0.00 H new ATOM 0 HB3 PRO B 745 4.927 0.834 -5.469 1.00 0.00 H new ATOM 0 HG2 PRO B 745 7.933 0.748 -5.300 1.00 0.00 H new ATOM 0 HG3 PRO B 745 6.785 -0.573 -5.193 1.00 0.00 H new ATOM 0 HD2 PRO B 745 8.170 -0.064 -7.503 1.00 0.00 H new ATOM 0 HD3 PRO B 745 6.554 -0.742 -7.538 1.00 0.00 H new ATOM 626 N LEU B 746 7.972 3.512 -6.820 1.00 0.00 N ATOM 627 CA LEU B 746 8.796 4.689 -6.621 1.00 0.00 C ATOM 628 C LEU B 746 8.558 5.702 -7.731 1.00 0.00 C ATOM 629 O LEU B 746 8.766 6.901 -7.546 1.00 0.00 O ATOM 630 CB LEU B 746 10.270 4.297 -6.590 1.00 0.00 C ATOM 631 CG LEU B 746 10.565 3.482 -5.321 1.00 0.00 C ATOM 632 CD1 LEU B 746 11.970 2.878 -5.416 1.00 0.00 C ATOM 633 CD2 LEU B 746 10.471 4.378 -4.063 1.00 0.00 C ATOM 0 H LEU B 746 8.472 2.699 -7.179 1.00 0.00 H new ATOM 0 HA LEU B 746 8.524 5.142 -5.668 1.00 0.00 H new ATOM 0 HB2 LEU B 746 10.519 3.712 -7.475 1.00 0.00 H new ATOM 0 HB3 LEU B 746 10.894 5.190 -6.613 1.00 0.00 H new ATOM 0 HG LEU B 746 9.825 2.686 -5.238 1.00 0.00 H new ATOM 0 HD11 LEU B 746 12.179 2.300 -4.516 1.00 0.00 H new ATOM 0 HD12 LEU B 746 12.028 2.226 -6.288 1.00 0.00 H new ATOM 0 HD13 LEU B 746 12.704 3.678 -5.512 1.00 0.00 H new ATOM 0 HD21 LEU B 746 10.683 3.782 -3.175 1.00 0.00 H new ATOM 0 HD22 LEU B 746 11.196 5.188 -4.138 1.00 0.00 H new ATOM 0 HD23 LEU B 746 9.467 4.796 -3.988 1.00 0.00 H new ATOM 645 N TYR B 747 8.143 5.207 -8.890 1.00 0.00 N ATOM 646 CA TYR B 747 7.901 6.086 -10.031 1.00 0.00 C ATOM 647 C TYR B 747 6.781 7.074 -9.730 1.00 0.00 C ATOM 648 O TYR B 747 6.926 8.281 -9.940 1.00 0.00 O ATOM 649 CB TYR B 747 7.520 5.246 -11.249 1.00 0.00 C ATOM 650 CG TYR B 747 7.196 6.155 -12.412 1.00 0.00 C ATOM 651 CD1 TYR B 747 8.230 6.763 -13.133 1.00 0.00 C ATOM 652 CD2 TYR B 747 5.862 6.394 -12.767 1.00 0.00 C ATOM 653 CE1 TYR B 747 7.933 7.609 -14.208 1.00 0.00 C ATOM 654 CE2 TYR B 747 5.564 7.240 -13.842 1.00 0.00 C ATOM 655 CZ TYR B 747 6.599 7.847 -14.562 1.00 0.00 C ATOM 656 OH TYR B 747 6.306 8.682 -15.621 1.00 0.00 O ATOM 0 H TYR B 747 7.969 4.218 -9.066 1.00 0.00 H new ATOM 0 HA TYR B 747 8.814 6.647 -10.233 1.00 0.00 H new ATOM 0 HB2 TYR B 747 8.340 4.579 -11.514 1.00 0.00 H new ATOM 0 HB3 TYR B 747 6.661 4.618 -11.015 1.00 0.00 H new ATOM 0 HD1 TYR B 747 9.259 6.579 -12.860 1.00 0.00 H new ATOM 0 HD2 TYR B 747 5.063 5.925 -12.211 1.00 0.00 H new ATOM 0 HE1 TYR B 747 8.732 8.078 -14.764 1.00 0.00 H new ATOM 0 HE2 TYR B 747 4.536 7.424 -14.115 1.00 0.00 H new ATOM 0 HH TYR B 747 5.334 8.738 -15.734 1.00 0.00 H new ATOM 666 N LYS B 748 5.673 6.554 -9.226 1.00 0.00 N ATOM 667 CA LYS B 748 4.529 7.397 -8.882 1.00 0.00 C ATOM 668 C LYS B 748 4.854 8.287 -7.688 1.00 0.00 C ATOM 669 O LYS B 748 4.380 9.420 -7.592 1.00 0.00 O ATOM 670 CB LYS B 748 3.295 6.544 -8.589 1.00 0.00 C ATOM 671 CG LYS B 748 3.547 5.708 -7.349 1.00 0.00 C ATOM 672 CD LYS B 748 2.333 4.826 -7.062 1.00 0.00 C ATOM 673 CE LYS B 748 2.523 4.112 -5.720 1.00 0.00 C ATOM 674 NZ LYS B 748 1.319 3.289 -5.422 1.00 0.00 N ATOM 0 H LYS B 748 5.537 5.559 -9.045 1.00 0.00 H new ATOM 0 HA LYS B 748 4.311 8.035 -9.739 1.00 0.00 H new ATOM 0 HB2 LYS B 748 2.424 7.183 -8.440 1.00 0.00 H new ATOM 0 HB3 LYS B 748 3.075 5.898 -9.439 1.00 0.00 H new ATOM 0 HG2 LYS B 748 4.432 5.088 -7.491 1.00 0.00 H new ATOM 0 HG3 LYS B 748 3.746 6.357 -6.496 1.00 0.00 H new ATOM 0 HD2 LYS B 748 1.428 5.433 -7.038 1.00 0.00 H new ATOM 0 HD3 LYS B 748 2.205 4.094 -7.860 1.00 0.00 H new ATOM 0 HE2 LYS B 748 3.410 3.479 -5.755 1.00 0.00 H new ATOM 0 HE3 LYS B 748 2.683 4.842 -4.927 1.00 0.00 H new ATOM 0 HZ1 LYS B 748 1.345 2.983 -4.428 1.00 0.00 H new ATOM 0 HZ2 LYS B 748 0.462 3.855 -5.588 1.00 0.00 H new ATOM 0 HZ3 LYS B 748 1.308 2.454 -6.041 1.00 0.00 H new ATOM 688 N GLU B 749 5.657 7.753 -6.773 1.00 0.00 N ATOM 689 CA GLU B 749 6.032 8.489 -5.577 1.00 0.00 C ATOM 690 C GLU B 749 6.773 9.767 -5.946 1.00 0.00 C ATOM 691 O GLU B 749 6.663 10.783 -5.259 1.00 0.00 O ATOM 692 CB GLU B 749 6.919 7.619 -4.680 1.00 0.00 C ATOM 693 CG GLU B 749 7.116 8.304 -3.325 1.00 0.00 C ATOM 694 CD GLU B 749 5.814 8.272 -2.533 1.00 0.00 C ATOM 695 OE1 GLU B 749 4.894 7.601 -2.969 1.00 0.00 O ATOM 696 OE2 GLU B 749 5.753 8.923 -1.502 1.00 0.00 O ATOM 0 H GLU B 749 6.058 6.817 -6.839 1.00 0.00 H new ATOM 0 HA GLU B 749 5.123 8.753 -5.037 1.00 0.00 H new ATOM 0 HB2 GLU B 749 6.461 6.640 -4.540 1.00 0.00 H new ATOM 0 HB3 GLU B 749 7.884 7.454 -5.158 1.00 0.00 H new ATOM 0 HG2 GLU B 749 7.905 7.802 -2.765 1.00 0.00 H new ATOM 0 HG3 GLU B 749 7.437 9.335 -3.472 1.00 0.00 H new ATOM 703 N ALA B 750 7.523 9.707 -7.034 1.00 0.00 N ATOM 704 CA ALA B 750 8.281 10.866 -7.489 1.00 0.00 C ATOM 705 C ALA B 750 7.352 12.055 -7.721 1.00 0.00 C ATOM 706 O ALA B 750 7.642 13.170 -7.286 1.00 0.00 O ATOM 707 CB ALA B 750 9.018 10.534 -8.788 1.00 0.00 C ATOM 0 H ALA B 750 7.625 8.876 -7.616 1.00 0.00 H new ATOM 0 HA ALA B 750 9.005 11.127 -6.718 1.00 0.00 H new ATOM 0 HB1 ALA B 750 9.581 11.406 -9.120 1.00 0.00 H new ATOM 0 HB2 ALA B 750 9.703 9.704 -8.616 1.00 0.00 H new ATOM 0 HB3 ALA B 750 8.296 10.255 -9.555 1.00 0.00 H new ATOM 713 N THR B 751 6.236 11.814 -8.405 1.00 0.00 N ATOM 714 CA THR B 751 5.281 12.871 -8.682 1.00 0.00 C ATOM 715 C THR B 751 4.621 13.351 -7.393 1.00 0.00 C ATOM 716 O THR B 751 4.376 14.545 -7.217 1.00 0.00 O ATOM 717 CB THR B 751 4.212 12.353 -9.642 1.00 0.00 C ATOM 718 OG1 THR B 751 3.632 11.167 -9.115 1.00 0.00 O ATOM 719 CG2 THR B 751 4.842 12.054 -11.003 1.00 0.00 C ATOM 0 H THR B 751 5.976 10.899 -8.774 1.00 0.00 H new ATOM 0 HA THR B 751 5.809 13.710 -9.136 1.00 0.00 H new ATOM 0 HB THR B 751 3.439 13.112 -9.762 1.00 0.00 H new ATOM 0 HG1 THR B 751 4.196 10.820 -8.393 1.00 0.00 H new ATOM 0 HG21 THR B 751 4.076 11.685 -11.685 1.00 0.00 H new ATOM 0 HG22 THR B 751 5.281 12.966 -11.409 1.00 0.00 H new ATOM 0 HG23 THR B 751 5.619 11.298 -10.886 1.00 0.00 H new ATOM 727 N SER B 752 4.336 12.413 -6.495 1.00 0.00 N ATOM 728 CA SER B 752 3.704 12.752 -5.225 1.00 0.00 C ATOM 729 C SER B 752 4.604 13.671 -4.408 1.00 0.00 C ATOM 730 O SER B 752 4.126 14.503 -3.638 1.00 0.00 O ATOM 731 CB SER B 752 3.405 11.479 -4.431 1.00 0.00 C ATOM 732 OG SER B 752 4.627 10.863 -4.054 1.00 0.00 O ATOM 0 H SER B 752 4.531 11.420 -6.622 1.00 0.00 H new ATOM 0 HA SER B 752 2.769 13.273 -5.433 1.00 0.00 H new ATOM 0 HB2 SER B 752 2.817 11.719 -3.545 1.00 0.00 H new ATOM 0 HB3 SER B 752 2.809 10.793 -5.033 1.00 0.00 H new ATOM 0 HG SER B 752 5.337 11.142 -4.669 1.00 0.00 H new ATOM 738 N THR B 753 5.910 13.509 -4.580 1.00 0.00 N ATOM 739 CA THR B 753 6.874 14.325 -3.849 1.00 0.00 C ATOM 740 C THR B 753 6.732 15.795 -4.226 1.00 0.00 C ATOM 741 O THR B 753 6.713 16.665 -3.361 1.00 0.00 O ATOM 742 CB THR B 753 8.298 13.855 -4.157 1.00 0.00 C ATOM 743 OG1 THR B 753 8.377 12.447 -3.994 1.00 0.00 O ATOM 744 CG2 THR B 753 9.280 14.537 -3.201 1.00 0.00 C ATOM 0 H THR B 753 6.325 12.826 -5.214 1.00 0.00 H new ATOM 0 HA THR B 753 6.676 14.215 -2.783 1.00 0.00 H new ATOM 0 HB THR B 753 8.553 14.116 -5.184 1.00 0.00 H new ATOM 0 HG1 THR B 753 7.787 12.009 -4.643 1.00 0.00 H new ATOM 0 HG21 THR B 753 10.294 14.202 -3.421 1.00 0.00 H new ATOM 0 HG22 THR B 753 9.220 15.618 -3.327 1.00 0.00 H new ATOM 0 HG23 THR B 753 9.027 14.277 -2.173 1.00 0.00 H new ATOM 752 N PHE B 754 6.625 16.057 -5.520 1.00 0.00 N ATOM 753 CA PHE B 754 6.482 17.426 -6.012 1.00 0.00 C ATOM 754 C PHE B 754 5.235 18.076 -5.427 1.00 0.00 C ATOM 755 O PHE B 754 5.251 19.249 -5.058 1.00 0.00 O ATOM 756 CB PHE B 754 6.395 17.430 -7.539 1.00 0.00 C ATOM 757 CG PHE B 754 6.421 18.855 -8.039 1.00 0.00 C ATOM 758 CD1 PHE B 754 7.642 19.527 -8.178 1.00 0.00 C ATOM 759 CD2 PHE B 754 5.224 19.506 -8.362 1.00 0.00 C ATOM 760 CE1 PHE B 754 7.665 20.849 -8.641 1.00 0.00 C ATOM 761 CE2 PHE B 754 5.247 20.826 -8.825 1.00 0.00 C ATOM 762 CZ PHE B 754 6.468 21.498 -8.965 1.00 0.00 C ATOM 0 H PHE B 754 6.634 15.344 -6.250 1.00 0.00 H new ATOM 0 HA PHE B 754 7.357 17.996 -5.700 1.00 0.00 H new ATOM 0 HB2 PHE B 754 7.228 16.869 -7.963 1.00 0.00 H new ATOM 0 HB3 PHE B 754 5.479 16.936 -7.863 1.00 0.00 H new ATOM 0 HD1 PHE B 754 8.566 19.026 -7.928 1.00 0.00 H new ATOM 0 HD2 PHE B 754 4.282 18.989 -8.254 1.00 0.00 H new ATOM 0 HE1 PHE B 754 8.606 21.367 -8.748 1.00 0.00 H new ATOM 0 HE2 PHE B 754 4.323 21.327 -9.074 1.00 0.00 H new ATOM 0 HZ PHE B 754 6.486 22.517 -9.323 1.00 0.00 H new ATOM 772 N THR B 755 4.159 17.307 -5.347 1.00 0.00 N ATOM 773 CA THR B 755 2.905 17.817 -4.808 1.00 0.00 C ATOM 774 C THR B 755 3.116 18.359 -3.398 1.00 0.00 C ATOM 775 O THR B 755 2.552 19.384 -3.024 1.00 0.00 O ATOM 776 CB THR B 755 1.853 16.707 -4.777 1.00 0.00 C ATOM 777 OG1 THR B 755 1.855 16.022 -6.020 1.00 0.00 O ATOM 778 CG2 THR B 755 0.471 17.315 -4.531 1.00 0.00 C ATOM 0 H THR B 755 4.128 16.332 -5.646 1.00 0.00 H new ATOM 0 HA THR B 755 2.556 18.624 -5.452 1.00 0.00 H new ATOM 0 HB THR B 755 2.087 16.008 -3.974 1.00 0.00 H new ATOM 0 HG1 THR B 755 1.183 15.309 -6.002 1.00 0.00 H new ATOM 0 HG21 THR B 755 -0.277 16.522 -4.509 1.00 0.00 H new ATOM 0 HG22 THR B 755 0.470 17.841 -3.576 1.00 0.00 H new ATOM 0 HG23 THR B 755 0.234 18.016 -5.332 1.00 0.00 H new ATOM 786 N ASN B 756 3.919 17.664 -2.616 1.00 0.00 N ATOM 787 CA ASN B 756 4.186 18.095 -1.248 1.00 0.00 C ATOM 788 C ASN B 756 4.917 19.437 -1.236 1.00 0.00 C ATOM 789 O ASN B 756 4.564 20.339 -0.476 1.00 0.00 O ATOM 790 CB ASN B 756 5.041 17.047 -0.531 1.00 0.00 C ATOM 791 CG ASN B 756 5.310 17.481 0.907 1.00 0.00 C ATOM 792 OD1 ASN B 756 4.503 18.197 1.500 1.00 0.00 O ATOM 793 ND2 ASN B 756 6.400 17.085 1.506 1.00 0.00 N ATOM 0 H ASN B 756 4.396 16.807 -2.896 1.00 0.00 H new ATOM 0 HA ASN B 756 3.232 18.209 -0.733 1.00 0.00 H new ATOM 0 HB2 ASN B 756 4.531 16.084 -0.539 1.00 0.00 H new ATOM 0 HB3 ASN B 756 5.984 16.912 -1.060 1.00 0.00 H new ATOM 0 HD21 ASN B 756 6.585 17.369 2.468 1.00 0.00 H new ATOM 0 HD22 ASN B 756 7.067 16.492 1.012 1.00 0.00 H new ATOM 800 N ILE B 757 5.946 19.557 -2.071 1.00 0.00 N ATOM 801 CA ILE B 757 6.723 20.793 -2.131 1.00 0.00 C ATOM 802 C ILE B 757 5.912 21.921 -2.752 1.00 0.00 C ATOM 803 O ILE B 757 5.853 23.030 -2.225 1.00 0.00 O ATOM 804 CB ILE B 757 7.991 20.570 -2.957 1.00 0.00 C ATOM 805 CG1 ILE B 757 8.668 19.281 -2.485 1.00 0.00 C ATOM 806 CG2 ILE B 757 8.946 21.754 -2.751 1.00 0.00 C ATOM 807 CD1 ILE B 757 10.107 19.207 -3.027 1.00 0.00 C ATOM 0 H ILE B 757 6.259 18.824 -2.708 1.00 0.00 H new ATOM 0 HA ILE B 757 6.988 21.074 -1.112 1.00 0.00 H new ATOM 0 HB ILE B 757 7.738 20.489 -4.014 1.00 0.00 H new ATOM 0 HG12 ILE B 757 8.680 19.246 -1.396 1.00 0.00 H new ATOM 0 HG13 ILE B 757 8.098 18.417 -2.826 1.00 0.00 H new ATOM 0 HG21 ILE B 757 9.851 21.598 -3.338 1.00 0.00 H new ATOM 0 HG22 ILE B 757 8.459 22.675 -3.072 1.00 0.00 H new ATOM 0 HG23 ILE B 757 9.207 21.831 -1.696 1.00 0.00 H new ATOM 0 HD11 ILE B 757 10.578 18.286 -2.684 1.00 0.00 H new ATOM 0 HD12 ILE B 757 10.086 19.221 -4.117 1.00 0.00 H new ATOM 0 HD13 ILE B 757 10.677 20.062 -2.664 1.00 0.00 H new ATOM 819 N THR B 758 5.293 21.621 -3.876 1.00 0.00 N ATOM 820 CA THR B 758 4.485 22.614 -4.586 1.00 0.00 C ATOM 821 C THR B 758 3.322 23.071 -3.716 1.00 0.00 C ATOM 822 O THR B 758 2.655 24.065 -4.009 1.00 0.00 O ATOM 823 CB THR B 758 3.960 22.021 -5.910 1.00 0.00 C ATOM 824 OG1 THR B 758 3.875 23.053 -6.885 1.00 0.00 O ATOM 825 CG2 THR B 758 2.574 21.386 -5.721 1.00 0.00 C ATOM 0 H THR B 758 5.328 20.705 -4.322 1.00 0.00 H new ATOM 0 HA THR B 758 5.111 23.478 -4.811 1.00 0.00 H new ATOM 0 HB THR B 758 4.652 21.246 -6.239 1.00 0.00 H new ATOM 0 HG1 THR B 758 4.242 22.731 -7.735 1.00 0.00 H new ATOM 0 HG21 THR B 758 2.229 20.976 -6.670 1.00 0.00 H new ATOM 0 HG22 THR B 758 2.638 20.587 -4.983 1.00 0.00 H new ATOM 0 HG23 THR B 758 1.871 22.144 -5.376 1.00 0.00 H new