USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 735 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 NoAdj-H: A 787 HIS HD1 : A 787 HIS ND1 : A 843 ZNZN :(H bumps) USER MOD Set 1.1: A 805 ASN : amide:sc= 1.52 K(o=1.5,f=-1.9) USER MOD Set 1.2: A 820 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 816 LYS NZ :NH3+ -173:sc= 1.36 (180deg=0.974) USER MOD Set 2.2: A 819 SER OG : rot 180:sc= 0.311 USER MOD Set 3.1: A 775 HIS : no HE2:sc= 0.181 K(o=0.38,f=-3.2) USER MOD Set 3.2: A 815 LYS NZ :NH3+ 149:sc= 0.202 (180deg=0) USER MOD Set 4.1: A 767 THR OG1 : rot 67:sc= 0.0659 USER MOD Set 4.2: A 774 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 792 HIS : no HE2:sc= -0.246 X(o=-0.18,f=-0.19) USER MOD Set 5.1: A 756 GLN : amide:sc= 0.866 K(o=1.9,f=-2.8) USER MOD Set 5.2: A 839 LYS NZ :NH3+ -176:sc= 0.994 (180deg=0) USER MOD Single : A -2 MET CE :methyl -148:sc= 0 (180deg=-0.333) USER MOD Single : A -4 GLY N :NH3+ -119:sc= 0.12 (180deg=0) USER MOD Single : A 755 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 757 SER OG : rot 180:sc= 0.0776 USER MOD Single : A 761 GLN : amide:sc= 0.261 X(o=0.26,f=0) USER MOD Single : A 762 SER OG : rot 180:sc= 0 USER MOD Single : A 763 CYS SG : rot 180:sc= 0 USER MOD Single : A 769 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 770 THR OG1 : rot -160:sc= 0.0875 USER MOD Single : A 772 LYS NZ :NH3+ 162:sc= 0.958 (180deg=0.705) USER MOD Single : A 773 TYR OH : rot -164:sc= 0.973 USER MOD Single : A 777 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 779 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 781 THR OG1 : rot 180:sc= 0.018 USER MOD Single : A 784 SER OG : rot 180:sc= 0 USER MOD Single : A 786 ASN : amide:sc= 0.116 X(o=0.12,f=0) USER MOD Single : A 790 HIS : no HD1:sc= -0.105 X(o=-0.11,f=0) USER MOD Single : A 793 ASN : amide:sc= 0.37 X(o=0.37,f=0) USER MOD Single : A 796 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 800 LYS NZ :NH3+ -174:sc= 0.402 (180deg=0.368) USER MOD Single : A 807 THR OG1 : rot -150:sc= 0.0636 USER MOD Single : A 809 SER OG : rot 180:sc= 0.27 USER MOD Single : A 817 HIS : no HD1:sc= -0.0231 X(o=-0.023,f=0) USER MOD Single : A 825 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 831 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 833 LYS NZ :NH3+ 160:sc= 0.781 (180deg=0.595) USER MOD Single : A 835 LYS NZ :NH3+ -178:sc= 2.13 (180deg=2.12) USER MOD Single : A 836 THR OG1 : rot 180:sc= 0.00205 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 4.385 0.893 0.450 1.00 0.00 N ATOM 2 CA GLY A -4 5.614 1.307 1.161 1.00 0.00 C ATOM 3 C GLY A -4 6.509 2.193 0.303 1.00 0.00 C ATOM 4 O GLY A -4 6.163 2.481 -0.848 1.00 0.00 O ATOM 0 H1 GLY A -4 3.552 1.247 0.962 1.00 0.00 H new ATOM 0 H2 GLY A -4 4.392 1.285 -0.513 1.00 0.00 H new ATOM 0 H3 GLY A -4 4.345 -0.145 0.401 1.00 0.00 H new ATOM 0 HA2 GLY A -4 5.342 1.842 2.071 1.00 0.00 H new ATOM 0 HA3 GLY A -4 6.170 0.421 1.467 1.00 0.00 H new ATOM 10 N PRO A -3 7.661 2.646 0.845 1.00 0.00 N ATOM 11 CA PRO A -3 8.630 3.497 0.143 1.00 0.00 C ATOM 12 C PRO A -3 9.179 2.863 -1.142 1.00 0.00 C ATOM 13 O PRO A -3 9.381 1.648 -1.214 1.00 0.00 O ATOM 14 CB PRO A -3 9.763 3.765 1.144 1.00 0.00 C ATOM 15 CG PRO A -3 9.100 3.553 2.503 1.00 0.00 C ATOM 16 CD PRO A -3 8.088 2.446 2.222 1.00 0.00 C ATOM 0 HA PRO A -3 8.141 4.414 -0.185 1.00 0.00 H new ATOM 0 HB2 PRO A -3 10.599 3.082 0.995 1.00 0.00 H new ATOM 0 HB3 PRO A -3 10.156 4.777 1.043 1.00 0.00 H new ATOM 0 HG2 PRO A -3 9.823 3.256 3.263 1.00 0.00 H new ATOM 0 HG3 PRO A -3 8.616 4.461 2.862 1.00 0.00 H new ATOM 0 HD2 PRO A -3 8.537 1.462 2.354 1.00 0.00 H new ATOM 0 HD3 PRO A -3 7.242 2.505 2.907 1.00 0.00 H new ATOM 24 N MET A -2 9.464 3.704 -2.143 1.00 0.00 N ATOM 25 CA MET A -2 10.119 3.305 -3.399 1.00 0.00 C ATOM 26 C MET A -2 11.643 3.175 -3.247 1.00 0.00 C ATOM 27 O MET A -2 12.244 3.699 -2.302 1.00 0.00 O ATOM 28 CB MET A -2 9.755 4.309 -4.512 1.00 0.00 C ATOM 29 CG MET A -2 8.262 4.312 -4.875 1.00 0.00 C ATOM 30 SD MET A -2 7.644 2.805 -5.681 1.00 0.00 S ATOM 31 CE MET A -2 6.919 1.949 -4.258 1.00 0.00 C ATOM 0 H MET A -2 9.243 4.699 -2.104 1.00 0.00 H new ATOM 0 HA MET A -2 9.752 2.315 -3.672 1.00 0.00 H new ATOM 0 HB2 MET A -2 10.045 5.311 -4.195 1.00 0.00 H new ATOM 0 HB3 MET A -2 10.337 4.076 -5.404 1.00 0.00 H new ATOM 0 HG2 MET A -2 7.686 4.477 -3.965 1.00 0.00 H new ATOM 0 HG3 MET A -2 8.069 5.159 -5.533 1.00 0.00 H new ATOM 0 HE1 MET A -2 7.012 0.872 -4.395 1.00 0.00 H new ATOM 0 HE2 MET A -2 7.443 2.246 -3.349 1.00 0.00 H new ATOM 0 HE3 MET A -2 5.865 2.214 -4.172 1.00 0.00 H new ATOM 41 N GLY A -1 12.279 2.485 -4.199 1.00 0.00 N ATOM 42 CA GLY A -1 13.733 2.225 -4.208 1.00 0.00 C ATOM 43 C GLY A -1 14.148 0.984 -3.408 1.00 0.00 C ATOM 44 O GLY A -1 15.336 0.800 -3.133 1.00 0.00 O ATOM 0 H GLY A -1 11.795 2.082 -5.001 1.00 0.00 H new ATOM 0 HA2 GLY A -1 14.065 2.108 -5.240 1.00 0.00 H new ATOM 0 HA3 GLY A -1 14.250 3.095 -3.804 1.00 0.00 H new ATOM 48 N MET A 755 13.189 0.128 -3.036 1.00 0.00 N ATOM 49 CA MET A 755 13.401 -1.165 -2.370 1.00 0.00 C ATOM 50 C MET A 755 14.285 -2.119 -3.194 1.00 0.00 C ATOM 51 O MET A 755 14.280 -2.083 -4.429 1.00 0.00 O ATOM 52 CB MET A 755 12.045 -1.801 -1.990 1.00 0.00 C ATOM 53 CG MET A 755 11.092 -2.094 -3.167 1.00 0.00 C ATOM 54 SD MET A 755 10.240 -0.652 -3.876 1.00 0.00 S ATOM 55 CE MET A 755 9.241 -1.481 -5.132 1.00 0.00 C ATOM 0 H MET A 755 12.201 0.325 -3.197 1.00 0.00 H new ATOM 0 HA MET A 755 13.955 -0.977 -1.451 1.00 0.00 H new ATOM 0 HB2 MET A 755 12.238 -2.734 -1.461 1.00 0.00 H new ATOM 0 HB3 MET A 755 11.536 -1.137 -1.291 1.00 0.00 H new ATOM 0 HG2 MET A 755 11.662 -2.580 -3.959 1.00 0.00 H new ATOM 0 HG3 MET A 755 10.340 -2.808 -2.831 1.00 0.00 H new ATOM 0 HE1 MET A 755 8.647 -0.742 -5.671 1.00 0.00 H new ATOM 0 HE2 MET A 755 9.895 -2.001 -5.832 1.00 0.00 H new ATOM 0 HE3 MET A 755 8.577 -2.200 -4.652 1.00 0.00 H new ATOM 65 N GLN A 756 15.036 -2.985 -2.511 1.00 0.00 N ATOM 66 CA GLN A 756 15.954 -3.943 -3.142 1.00 0.00 C ATOM 67 C GLN A 756 15.220 -5.146 -3.755 1.00 0.00 C ATOM 68 O GLN A 756 15.698 -5.717 -4.739 1.00 0.00 O ATOM 69 CB GLN A 756 16.983 -4.417 -2.101 1.00 0.00 C ATOM 70 CG GLN A 756 17.944 -3.299 -1.666 1.00 0.00 C ATOM 71 CD GLN A 756 18.907 -3.752 -0.565 1.00 0.00 C ATOM 72 OE1 GLN A 756 18.810 -3.344 0.589 1.00 0.00 O ATOM 73 NE2 GLN A 756 19.872 -4.601 -0.866 1.00 0.00 N ATOM 0 H GLN A 756 15.026 -3.044 -1.493 1.00 0.00 H new ATOM 0 HA GLN A 756 16.458 -3.433 -3.963 1.00 0.00 H new ATOM 0 HB2 GLN A 756 16.458 -4.801 -1.226 1.00 0.00 H new ATOM 0 HB3 GLN A 756 17.559 -5.245 -2.516 1.00 0.00 H new ATOM 0 HG2 GLN A 756 18.517 -2.960 -2.529 1.00 0.00 H new ATOM 0 HG3 GLN A 756 17.367 -2.445 -1.311 1.00 0.00 H new ATOM 0 HE21 GLN A 756 19.966 -4.949 -1.820 1.00 0.00 H new ATOM 0 HE22 GLN A 756 20.524 -4.909 -0.144 1.00 0.00 H new ATOM 82 N SER A 757 14.048 -5.511 -3.228 1.00 0.00 N ATOM 83 CA SER A 757 13.192 -6.596 -3.732 1.00 0.00 C ATOM 84 C SER A 757 11.799 -6.561 -3.073 1.00 0.00 C ATOM 85 O SER A 757 11.508 -5.700 -2.233 1.00 0.00 O ATOM 86 CB SER A 757 13.856 -7.968 -3.511 1.00 0.00 C ATOM 87 OG SER A 757 13.275 -8.961 -4.347 1.00 0.00 O ATOM 0 H SER A 757 13.653 -5.045 -2.411 1.00 0.00 H new ATOM 0 HA SER A 757 13.064 -6.443 -4.804 1.00 0.00 H new ATOM 0 HB2 SER A 757 14.924 -7.895 -3.716 1.00 0.00 H new ATOM 0 HB3 SER A 757 13.751 -8.262 -2.466 1.00 0.00 H new ATOM 0 HG SER A 757 13.716 -9.822 -4.188 1.00 0.00 H new ATOM 93 N ILE A 758 10.929 -7.504 -3.448 1.00 0.00 N ATOM 94 CA ILE A 758 9.549 -7.669 -2.950 1.00 0.00 C ATOM 95 C ILE A 758 9.480 -8.930 -2.075 1.00 0.00 C ATOM 96 O ILE A 758 10.212 -9.890 -2.311 1.00 0.00 O ATOM 97 CB ILE A 758 8.557 -7.740 -4.143 1.00 0.00 C ATOM 98 CG1 ILE A 758 8.801 -6.677 -5.244 1.00 0.00 C ATOM 99 CG2 ILE A 758 7.093 -7.652 -3.663 1.00 0.00 C ATOM 100 CD1 ILE A 758 8.799 -5.219 -4.767 1.00 0.00 C ATOM 0 H ILE A 758 11.175 -8.211 -4.141 1.00 0.00 H new ATOM 0 HA ILE A 758 9.264 -6.811 -2.341 1.00 0.00 H new ATOM 0 HB ILE A 758 8.745 -8.713 -4.598 1.00 0.00 H new ATOM 0 HG12 ILE A 758 9.760 -6.884 -5.718 1.00 0.00 H new ATOM 0 HG13 ILE A 758 8.035 -6.791 -6.011 1.00 0.00 H new ATOM 0 HG21 ILE A 758 6.425 -7.705 -4.522 1.00 0.00 H new ATOM 0 HG22 ILE A 758 6.881 -8.481 -2.987 1.00 0.00 H new ATOM 0 HG23 ILE A 758 6.938 -6.708 -3.140 1.00 0.00 H new ATOM 0 HD11 ILE A 758 8.978 -4.558 -5.615 1.00 0.00 H new ATOM 0 HD12 ILE A 758 7.833 -4.983 -4.322 1.00 0.00 H new ATOM 0 HD13 ILE A 758 9.585 -5.078 -4.025 1.00 0.00 H new ATOM 112 N ARG A 759 8.566 -8.974 -1.095 1.00 0.00 N ATOM 113 CA ARG A 759 8.363 -10.095 -0.153 1.00 0.00 C ATOM 114 C ARG A 759 7.759 -11.389 -0.762 1.00 0.00 C ATOM 115 O ARG A 759 7.202 -12.212 -0.035 1.00 0.00 O ATOM 116 CB ARG A 759 7.566 -9.592 1.066 1.00 0.00 C ATOM 117 CG ARG A 759 6.103 -9.225 0.725 1.00 0.00 C ATOM 118 CD ARG A 759 5.407 -8.550 1.909 1.00 0.00 C ATOM 119 NE ARG A 759 3.946 -8.491 1.706 1.00 0.00 N ATOM 120 CZ ARG A 759 3.018 -8.316 2.637 1.00 0.00 C ATOM 121 NH1 ARG A 759 3.324 -8.125 3.903 1.00 0.00 N ATOM 122 NH2 ARG A 759 1.749 -8.331 2.293 1.00 0.00 N ATOM 0 H ARG A 759 7.921 -8.202 -0.927 1.00 0.00 H new ATOM 0 HA ARG A 759 9.357 -10.420 0.155 1.00 0.00 H new ATOM 0 HB2 ARG A 759 7.571 -10.361 1.838 1.00 0.00 H new ATOM 0 HB3 ARG A 759 8.066 -8.718 1.484 1.00 0.00 H new ATOM 0 HG2 ARG A 759 6.085 -8.559 -0.138 1.00 0.00 H new ATOM 0 HG3 ARG A 759 5.556 -10.125 0.444 1.00 0.00 H new ATOM 0 HD2 ARG A 759 5.628 -9.098 2.825 1.00 0.00 H new ATOM 0 HD3 ARG A 759 5.800 -7.542 2.039 1.00 0.00 H new ATOM 0 HE ARG A 759 3.615 -8.596 0.747 1.00 0.00 H new ATOM 0 HH11 ARG A 759 4.301 -8.108 4.195 1.00 0.00 H new ATOM 0 HH12 ARG A 759 2.584 -7.994 4.592 1.00 0.00 H new ATOM 0 HH21 ARG A 759 1.487 -8.476 1.318 1.00 0.00 H new ATOM 0 HH22 ARG A 759 1.027 -8.197 3.001 1.00 0.00 H new ATOM 136 N GLU A 760 7.855 -11.568 -2.077 1.00 0.00 N ATOM 137 CA GLU A 760 7.506 -12.785 -2.816 1.00 0.00 C ATOM 138 C GLU A 760 8.669 -13.186 -3.746 1.00 0.00 C ATOM 139 O GLU A 760 9.455 -12.334 -4.171 1.00 0.00 O ATOM 140 CB GLU A 760 6.193 -12.608 -3.598 1.00 0.00 C ATOM 141 CG GLU A 760 6.238 -11.542 -4.705 1.00 0.00 C ATOM 142 CD GLU A 760 4.850 -11.343 -5.326 1.00 0.00 C ATOM 143 OE1 GLU A 760 4.506 -12.047 -6.306 1.00 0.00 O ATOM 144 OE2 GLU A 760 4.082 -10.487 -4.830 1.00 0.00 O ATOM 0 H GLU A 760 8.197 -10.829 -2.692 1.00 0.00 H new ATOM 0 HA GLU A 760 7.343 -13.592 -2.101 1.00 0.00 H new ATOM 0 HB2 GLU A 760 5.922 -13.564 -4.045 1.00 0.00 H new ATOM 0 HB3 GLU A 760 5.401 -12.348 -2.896 1.00 0.00 H new ATOM 0 HG2 GLU A 760 6.596 -10.598 -4.293 1.00 0.00 H new ATOM 0 HG3 GLU A 760 6.947 -11.842 -5.477 1.00 0.00 H new ATOM 151 N GLN A 761 8.799 -14.480 -4.061 1.00 0.00 N ATOM 152 CA GLN A 761 10.012 -15.031 -4.678 1.00 0.00 C ATOM 153 C GLN A 761 9.707 -16.098 -5.734 1.00 0.00 C ATOM 154 O GLN A 761 8.724 -16.831 -5.638 1.00 0.00 O ATOM 155 CB GLN A 761 10.953 -15.562 -3.578 1.00 0.00 C ATOM 156 CG GLN A 761 10.343 -16.695 -2.733 1.00 0.00 C ATOM 157 CD GLN A 761 11.240 -17.080 -1.557 1.00 0.00 C ATOM 158 OE1 GLN A 761 12.064 -17.988 -1.629 1.00 0.00 O ATOM 159 NE2 GLN A 761 11.126 -16.413 -0.422 1.00 0.00 N ATOM 0 H GLN A 761 8.069 -15.173 -3.896 1.00 0.00 H new ATOM 0 HA GLN A 761 10.514 -14.226 -5.215 1.00 0.00 H new ATOM 0 HB2 GLN A 761 11.872 -15.921 -4.041 1.00 0.00 H new ATOM 0 HB3 GLN A 761 11.229 -14.738 -2.920 1.00 0.00 H new ATOM 0 HG2 GLN A 761 9.368 -16.383 -2.358 1.00 0.00 H new ATOM 0 HG3 GLN A 761 10.177 -17.569 -3.364 1.00 0.00 H new ATOM 0 HE21 GLN A 761 10.448 -15.655 -0.342 1.00 0.00 H new ATOM 0 HE22 GLN A 761 11.716 -16.656 0.374 1.00 0.00 H new ATOM 168 N SER A 762 10.569 -16.190 -6.745 1.00 0.00 N ATOM 169 CA SER A 762 10.433 -17.121 -7.871 1.00 0.00 C ATOM 170 C SER A 762 10.921 -18.548 -7.554 1.00 0.00 C ATOM 171 O SER A 762 11.714 -18.782 -6.631 1.00 0.00 O ATOM 172 CB SER A 762 11.152 -16.559 -9.110 1.00 0.00 C ATOM 173 OG SER A 762 12.528 -16.276 -8.850 1.00 0.00 O ATOM 0 H SER A 762 11.403 -15.606 -6.808 1.00 0.00 H new ATOM 0 HA SER A 762 9.366 -17.211 -8.075 1.00 0.00 H new ATOM 0 HB2 SER A 762 11.078 -17.276 -9.928 1.00 0.00 H new ATOM 0 HB3 SER A 762 10.651 -15.648 -9.438 1.00 0.00 H new ATOM 0 HG SER A 762 12.948 -15.923 -9.662 1.00 0.00 H new ATOM 179 N CYS A 763 10.450 -19.511 -8.354 1.00 0.00 N ATOM 180 CA CYS A 763 10.739 -20.941 -8.242 1.00 0.00 C ATOM 181 C CYS A 763 10.435 -21.689 -9.556 1.00 0.00 C ATOM 182 O CYS A 763 9.959 -21.087 -10.527 1.00 0.00 O ATOM 183 CB CYS A 763 9.969 -21.514 -7.029 1.00 0.00 C ATOM 184 SG CYS A 763 8.174 -21.313 -7.242 1.00 0.00 S ATOM 0 H CYS A 763 9.827 -19.302 -9.134 1.00 0.00 H new ATOM 0 HA CYS A 763 11.805 -21.087 -8.070 1.00 0.00 H new ATOM 0 HB2 CYS A 763 10.208 -22.570 -6.908 1.00 0.00 H new ATOM 0 HB3 CYS A 763 10.290 -21.008 -6.118 1.00 0.00 H new ATOM 0 HG CYS A 763 7.557 -21.805 -6.209 1.00 0.00 H new ATOM 190 N ARG A 764 10.698 -22.999 -9.591 1.00 0.00 N ATOM 191 CA ARG A 764 10.164 -23.906 -10.615 1.00 0.00 C ATOM 192 C ARG A 764 8.834 -24.509 -10.134 1.00 0.00 C ATOM 193 O ARG A 764 8.652 -24.787 -8.950 1.00 0.00 O ATOM 194 CB ARG A 764 11.205 -24.974 -10.980 1.00 0.00 C ATOM 195 CG ARG A 764 10.931 -25.550 -12.381 1.00 0.00 C ATOM 196 CD ARG A 764 11.868 -26.703 -12.742 1.00 0.00 C ATOM 197 NE ARG A 764 13.267 -26.266 -12.903 1.00 0.00 N ATOM 198 CZ ARG A 764 14.313 -27.059 -13.111 1.00 0.00 C ATOM 199 NH1 ARG A 764 14.194 -28.371 -13.203 1.00 0.00 N ATOM 200 NH2 ARG A 764 15.512 -26.542 -13.254 1.00 0.00 N ATOM 0 H ARG A 764 11.292 -23.465 -8.905 1.00 0.00 H new ATOM 0 HA ARG A 764 9.955 -23.350 -11.529 1.00 0.00 H new ATOM 0 HB2 ARG A 764 12.204 -24.539 -10.950 1.00 0.00 H new ATOM 0 HB3 ARG A 764 11.184 -25.776 -10.242 1.00 0.00 H new ATOM 0 HG2 ARG A 764 9.899 -25.898 -12.430 1.00 0.00 H new ATOM 0 HG3 ARG A 764 11.036 -24.757 -13.122 1.00 0.00 H new ATOM 0 HD2 ARG A 764 11.816 -27.466 -11.965 1.00 0.00 H new ATOM 0 HD3 ARG A 764 11.527 -27.167 -13.667 1.00 0.00 H new ATOM 0 HE ARG A 764 13.449 -25.264 -12.850 1.00 0.00 H new ATOM 0 HH11 ARG A 764 13.276 -28.807 -13.114 1.00 0.00 H new ATOM 0 HH12 ARG A 764 15.020 -28.948 -13.363 1.00 0.00 H new ATOM 0 HH21 ARG A 764 15.641 -25.531 -13.205 1.00 0.00 H new ATOM 0 HH22 ARG A 764 16.314 -27.151 -13.414 1.00 0.00 H new ATOM 214 N VAL A 765 7.898 -24.686 -11.061 1.00 0.00 N ATOM 215 CA VAL A 765 6.510 -25.109 -10.847 1.00 0.00 C ATOM 216 C VAL A 765 6.095 -26.132 -11.918 1.00 0.00 C ATOM 217 O VAL A 765 6.831 -26.365 -12.877 1.00 0.00 O ATOM 218 CB VAL A 765 5.554 -23.888 -10.847 1.00 0.00 C ATOM 219 CG1 VAL A 765 5.860 -22.916 -9.696 1.00 0.00 C ATOM 220 CG2 VAL A 765 5.593 -23.101 -12.164 1.00 0.00 C ATOM 0 H VAL A 765 8.098 -24.528 -12.049 1.00 0.00 H new ATOM 0 HA VAL A 765 6.440 -25.586 -9.869 1.00 0.00 H new ATOM 0 HB VAL A 765 4.558 -24.312 -10.717 1.00 0.00 H new ATOM 0 HG11 VAL A 765 5.166 -22.076 -9.735 1.00 0.00 H new ATOM 0 HG12 VAL A 765 5.750 -23.434 -8.743 1.00 0.00 H new ATOM 0 HG13 VAL A 765 6.881 -22.548 -9.793 1.00 0.00 H new ATOM 0 HG21 VAL A 765 4.904 -22.259 -12.105 1.00 0.00 H new ATOM 0 HG22 VAL A 765 6.604 -22.732 -12.337 1.00 0.00 H new ATOM 0 HG23 VAL A 765 5.299 -23.753 -12.986 1.00 0.00 H new ATOM 230 N VAL A 766 4.927 -26.752 -11.749 1.00 0.00 N ATOM 231 CA VAL A 766 4.439 -27.858 -12.590 1.00 0.00 C ATOM 232 C VAL A 766 2.933 -27.744 -12.842 1.00 0.00 C ATOM 233 O VAL A 766 2.180 -27.395 -11.931 1.00 0.00 O ATOM 234 CB VAL A 766 4.795 -29.225 -11.957 1.00 0.00 C ATOM 235 CG1 VAL A 766 4.176 -29.434 -10.568 1.00 0.00 C ATOM 236 CG2 VAL A 766 4.413 -30.429 -12.830 1.00 0.00 C ATOM 0 H VAL A 766 4.275 -26.497 -11.008 1.00 0.00 H new ATOM 0 HA VAL A 766 4.939 -27.790 -13.556 1.00 0.00 H new ATOM 0 HB VAL A 766 5.880 -29.179 -11.868 1.00 0.00 H new ATOM 0 HG11 VAL A 766 4.466 -30.412 -10.184 1.00 0.00 H new ATOM 0 HG12 VAL A 766 4.532 -28.658 -9.891 1.00 0.00 H new ATOM 0 HG13 VAL A 766 3.090 -29.381 -10.642 1.00 0.00 H new ATOM 0 HG21 VAL A 766 4.693 -31.351 -12.321 1.00 0.00 H new ATOM 0 HG22 VAL A 766 3.337 -30.424 -13.006 1.00 0.00 H new ATOM 0 HG23 VAL A 766 4.937 -30.368 -13.784 1.00 0.00 H new ATOM 246 N THR A 767 2.505 -28.079 -14.063 1.00 0.00 N ATOM 247 CA THR A 767 1.104 -28.327 -14.419 1.00 0.00 C ATOM 248 C THR A 767 0.916 -29.816 -14.664 1.00 0.00 C ATOM 249 O THR A 767 1.504 -30.350 -15.609 1.00 0.00 O ATOM 250 CB THR A 767 0.703 -27.520 -15.664 1.00 0.00 C ATOM 251 OG1 THR A 767 0.891 -26.144 -15.422 1.00 0.00 O ATOM 252 CG2 THR A 767 -0.772 -27.718 -16.022 1.00 0.00 C ATOM 0 H THR A 767 3.141 -28.188 -14.853 1.00 0.00 H new ATOM 0 HA THR A 767 0.462 -28.006 -13.599 1.00 0.00 H new ATOM 0 HB THR A 767 1.328 -27.873 -16.485 1.00 0.00 H new ATOM 0 HG1 THR A 767 1.848 -25.956 -15.332 1.00 0.00 H new ATOM 0 HG21 THR A 767 -1.014 -27.130 -16.908 1.00 0.00 H new ATOM 0 HG22 THR A 767 -0.959 -28.773 -16.224 1.00 0.00 H new ATOM 0 HG23 THR A 767 -1.395 -27.392 -15.189 1.00 0.00 H new ATOM 260 N CYS A 768 0.087 -30.477 -13.849 1.00 0.00 N ATOM 261 CA CYS A 768 -0.403 -31.829 -14.139 1.00 0.00 C ATOM 262 C CYS A 768 -1.461 -31.735 -15.247 1.00 0.00 C ATOM 263 O CYS A 768 -2.493 -31.073 -15.104 1.00 0.00 O ATOM 264 CB CYS A 768 -0.944 -32.489 -12.858 1.00 0.00 C ATOM 265 SG CYS A 768 -1.422 -34.230 -13.183 1.00 0.00 S ATOM 0 H CYS A 768 -0.263 -30.091 -12.972 1.00 0.00 H new ATOM 0 HA CYS A 768 0.408 -32.465 -14.493 1.00 0.00 H new ATOM 0 HB2 CYS A 768 -0.185 -32.454 -12.076 1.00 0.00 H new ATOM 0 HB3 CYS A 768 -1.806 -31.932 -12.491 1.00 0.00 H new ATOM 270 N LYS A 769 -1.210 -32.396 -16.374 1.00 0.00 N ATOM 271 CA LYS A 769 -2.118 -32.442 -17.522 1.00 0.00 C ATOM 272 C LYS A 769 -3.259 -33.458 -17.328 1.00 0.00 C ATOM 273 O LYS A 769 -4.290 -33.358 -18.008 1.00 0.00 O ATOM 274 CB LYS A 769 -1.299 -32.751 -18.791 1.00 0.00 C ATOM 275 CG LYS A 769 -0.224 -31.702 -19.137 1.00 0.00 C ATOM 276 CD LYS A 769 -0.812 -30.311 -19.407 1.00 0.00 C ATOM 277 CE LYS A 769 0.287 -29.361 -19.887 1.00 0.00 C ATOM 278 NZ LYS A 769 -0.262 -28.037 -20.280 1.00 0.00 N ATOM 0 H LYS A 769 -0.351 -32.927 -16.520 1.00 0.00 H new ATOM 0 HA LYS A 769 -2.600 -31.469 -17.624 1.00 0.00 H new ATOM 0 HB2 LYS A 769 -0.815 -33.720 -18.667 1.00 0.00 H new ATOM 0 HB3 LYS A 769 -1.983 -32.842 -19.635 1.00 0.00 H new ATOM 0 HG2 LYS A 769 0.490 -31.636 -18.316 1.00 0.00 H new ATOM 0 HG3 LYS A 769 0.330 -32.033 -20.015 1.00 0.00 H new ATOM 0 HD2 LYS A 769 -1.598 -30.379 -20.159 1.00 0.00 H new ATOM 0 HD3 LYS A 769 -1.272 -29.919 -18.500 1.00 0.00 H new ATOM 0 HE2 LYS A 769 1.024 -29.228 -19.095 1.00 0.00 H new ATOM 0 HE3 LYS A 769 0.807 -29.806 -20.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 769 0.513 -27.421 -20.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 769 -0.947 -28.161 -21.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 769 -0.736 -27.602 -19.463 1.00 0.00 H new ATOM 292 N THR A 770 -3.114 -34.412 -16.399 1.00 0.00 N ATOM 293 CA THR A 770 -4.132 -35.429 -16.083 1.00 0.00 C ATOM 294 C THR A 770 -5.207 -34.880 -15.145 1.00 0.00 C ATOM 295 O THR A 770 -6.388 -35.148 -15.380 1.00 0.00 O ATOM 296 CB THR A 770 -3.456 -36.686 -15.518 1.00 0.00 C ATOM 297 OG1 THR A 770 -2.427 -37.112 -16.397 1.00 0.00 O ATOM 298 CG2 THR A 770 -4.441 -37.843 -15.372 1.00 0.00 C ATOM 0 H THR A 770 -2.270 -34.502 -15.834 1.00 0.00 H new ATOM 0 HA THR A 770 -4.646 -35.706 -17.004 1.00 0.00 H new ATOM 0 HB THR A 770 -3.060 -36.423 -14.537 1.00 0.00 H new ATOM 0 HG1 THR A 770 -2.215 -38.053 -16.221 1.00 0.00 H new ATOM 0 HG21 THR A 770 -3.923 -38.713 -14.969 1.00 0.00 H new ATOM 0 HG22 THR A 770 -5.245 -37.553 -14.695 1.00 0.00 H new ATOM 0 HG23 THR A 770 -4.860 -38.090 -16.348 1.00 0.00 H new ATOM 306 N CYS A 771 -4.838 -34.073 -14.139 1.00 0.00 N ATOM 307 CA CYS A 771 -5.782 -33.465 -13.185 1.00 0.00 C ATOM 308 C CYS A 771 -6.113 -31.983 -13.495 1.00 0.00 C ATOM 309 O CYS A 771 -7.102 -31.452 -12.981 1.00 0.00 O ATOM 310 CB CYS A 771 -5.187 -33.566 -11.773 1.00 0.00 C ATOM 311 SG CYS A 771 -4.840 -35.282 -11.251 1.00 0.00 S ATOM 0 H CYS A 771 -3.866 -33.821 -13.962 1.00 0.00 H new ATOM 0 HA CYS A 771 -6.719 -34.015 -13.268 1.00 0.00 H new ATOM 0 HB2 CYS A 771 -4.263 -32.989 -11.734 1.00 0.00 H new ATOM 0 HB3 CYS A 771 -5.877 -33.111 -11.063 1.00 0.00 H new ATOM 316 N LYS A 772 -5.289 -31.315 -14.316 1.00 0.00 N ATOM 317 CA LYS A 772 -5.437 -29.935 -14.818 1.00 0.00 C ATOM 318 C LYS A 772 -5.130 -28.849 -13.747 1.00 0.00 C ATOM 319 O LYS A 772 -5.558 -27.696 -13.884 1.00 0.00 O ATOM 320 CB LYS A 772 -6.788 -29.728 -15.557 1.00 0.00 C ATOM 321 CG LYS A 772 -7.004 -30.565 -16.832 1.00 0.00 C ATOM 322 CD LYS A 772 -7.340 -32.050 -16.604 1.00 0.00 C ATOM 323 CE LYS A 772 -7.913 -32.739 -17.856 1.00 0.00 C ATOM 324 NZ LYS A 772 -6.953 -32.760 -18.988 1.00 0.00 N ATOM 0 H LYS A 772 -4.440 -31.754 -14.674 1.00 0.00 H new ATOM 0 HA LYS A 772 -4.660 -29.794 -15.569 1.00 0.00 H new ATOM 0 HB2 LYS A 772 -7.596 -29.951 -14.861 1.00 0.00 H new ATOM 0 HB3 LYS A 772 -6.876 -28.674 -15.821 1.00 0.00 H new ATOM 0 HG2 LYS A 772 -7.810 -30.113 -17.409 1.00 0.00 H new ATOM 0 HG3 LYS A 772 -6.103 -30.504 -17.442 1.00 0.00 H new ATOM 0 HD2 LYS A 772 -6.439 -32.576 -16.288 1.00 0.00 H new ATOM 0 HD3 LYS A 772 -8.060 -32.133 -15.790 1.00 0.00 H new ATOM 0 HE2 LYS A 772 -8.196 -33.761 -17.606 1.00 0.00 H new ATOM 0 HE3 LYS A 772 -8.822 -32.224 -18.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 772 -7.248 -33.478 -19.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 772 -6.934 -31.826 -19.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 772 -6.003 -32.992 -18.633 1.00 0.00 H new ATOM 338 N TYR A 773 -4.381 -29.176 -12.682 1.00 0.00 N ATOM 339 CA TYR A 773 -3.919 -28.218 -11.657 1.00 0.00 C ATOM 340 C TYR A 773 -2.487 -27.712 -11.913 1.00 0.00 C ATOM 341 O TYR A 773 -1.684 -28.400 -12.557 1.00 0.00 O ATOM 342 CB TYR A 773 -4.044 -28.816 -10.244 1.00 0.00 C ATOM 343 CG TYR A 773 -3.048 -29.899 -9.847 1.00 0.00 C ATOM 344 CD1 TYR A 773 -1.732 -29.554 -9.469 1.00 0.00 C ATOM 345 CD2 TYR A 773 -3.451 -31.244 -9.775 1.00 0.00 C ATOM 346 CE1 TYR A 773 -0.816 -30.544 -9.059 1.00 0.00 C ATOM 347 CE2 TYR A 773 -2.549 -32.235 -9.336 1.00 0.00 C ATOM 348 CZ TYR A 773 -1.218 -31.897 -8.995 1.00 0.00 C ATOM 349 OH TYR A 773 -0.326 -32.852 -8.610 1.00 0.00 O ATOM 0 H TYR A 773 -4.072 -30.131 -12.503 1.00 0.00 H new ATOM 0 HA TYR A 773 -4.575 -27.350 -11.728 1.00 0.00 H new ATOM 0 HB2 TYR A 773 -3.959 -28.001 -9.525 1.00 0.00 H new ATOM 0 HB3 TYR A 773 -5.048 -29.228 -10.141 1.00 0.00 H new ATOM 0 HD1 TYR A 773 -1.424 -28.519 -9.494 1.00 0.00 H new ATOM 0 HD2 TYR A 773 -4.456 -31.520 -10.057 1.00 0.00 H new ATOM 0 HE1 TYR A 773 0.194 -30.268 -8.794 1.00 0.00 H new ATOM 0 HE2 TYR A 773 -2.877 -33.261 -9.259 1.00 0.00 H new ATOM 0 HH TYR A 773 -0.671 -33.737 -8.850 1.00 0.00 H new ATOM 359 N THR A 774 -2.155 -26.553 -11.332 1.00 0.00 N ATOM 360 CA THR A 774 -0.799 -25.971 -11.297 1.00 0.00 C ATOM 361 C THR A 774 -0.328 -25.867 -9.847 1.00 0.00 C ATOM 362 O THR A 774 -1.091 -25.439 -8.984 1.00 0.00 O ATOM 363 CB THR A 774 -0.781 -24.589 -11.970 1.00 0.00 C ATOM 364 OG1 THR A 774 -1.515 -24.626 -13.180 1.00 0.00 O ATOM 365 CG2 THR A 774 0.650 -24.159 -12.306 1.00 0.00 C ATOM 0 H THR A 774 -2.844 -25.971 -10.855 1.00 0.00 H new ATOM 0 HA THR A 774 -0.120 -26.620 -11.850 1.00 0.00 H new ATOM 0 HB THR A 774 -1.225 -23.881 -11.271 1.00 0.00 H new ATOM 0 HG1 THR A 774 -1.499 -23.741 -13.600 1.00 0.00 H new ATOM 0 HG21 THR A 774 0.633 -23.178 -12.781 1.00 0.00 H new ATOM 0 HG22 THR A 774 1.239 -24.109 -11.390 1.00 0.00 H new ATOM 0 HG23 THR A 774 1.098 -24.884 -12.986 1.00 0.00 H new ATOM 373 N HIS A 775 0.914 -26.256 -9.563 1.00 0.00 N ATOM 374 CA HIS A 775 1.508 -26.254 -8.216 1.00 0.00 C ATOM 375 C HIS A 775 3.053 -26.253 -8.270 1.00 0.00 C ATOM 376 O HIS A 775 3.642 -26.265 -9.352 1.00 0.00 O ATOM 377 CB HIS A 775 0.971 -27.460 -7.414 1.00 0.00 C ATOM 378 CG HIS A 775 0.452 -27.088 -6.044 1.00 0.00 C ATOM 379 ND1 HIS A 775 1.064 -27.324 -4.833 1.00 0.00 N ATOM 380 CD2 HIS A 775 -0.743 -26.466 -5.778 1.00 0.00 C ATOM 381 CE1 HIS A 775 0.263 -26.846 -3.863 1.00 0.00 C ATOM 382 NE2 HIS A 775 -0.857 -26.313 -4.389 1.00 0.00 N ATOM 0 H HIS A 775 1.557 -26.592 -10.280 1.00 0.00 H new ATOM 0 HA HIS A 775 1.216 -25.334 -7.709 1.00 0.00 H new ATOM 0 HB2 HIS A 775 0.171 -27.936 -7.980 1.00 0.00 H new ATOM 0 HB3 HIS A 775 1.766 -28.197 -7.305 1.00 0.00 H new ATOM 0 HD1 HIS A 775 1.966 -27.781 -4.696 1.00 0.00 H new ATOM 0 HD2 HIS A 775 -1.469 -26.149 -6.512 1.00 0.00 H new ATOM 0 HE1 HIS A 775 0.487 -26.884 -2.807 1.00 0.00 H new ATOM 390 N PHE A 776 3.727 -26.275 -7.112 1.00 0.00 N ATOM 391 CA PHE A 776 5.196 -26.288 -7.015 1.00 0.00 C ATOM 392 C PHE A 776 5.820 -27.634 -7.439 1.00 0.00 C ATOM 393 O PHE A 776 6.950 -27.674 -7.934 1.00 0.00 O ATOM 394 CB PHE A 776 5.604 -25.947 -5.568 1.00 0.00 C ATOM 395 CG PHE A 776 4.768 -24.865 -4.913 1.00 0.00 C ATOM 396 CD1 PHE A 776 4.845 -23.531 -5.357 1.00 0.00 C ATOM 397 CD2 PHE A 776 3.845 -25.224 -3.908 1.00 0.00 C ATOM 398 CE1 PHE A 776 3.973 -22.566 -4.829 1.00 0.00 C ATOM 399 CE2 PHE A 776 2.985 -24.251 -3.368 1.00 0.00 C ATOM 400 CZ PHE A 776 3.037 -22.930 -3.842 1.00 0.00 C ATOM 0 H PHE A 776 3.263 -26.284 -6.204 1.00 0.00 H new ATOM 0 HA PHE A 776 5.578 -25.541 -7.711 1.00 0.00 H new ATOM 0 HB2 PHE A 776 5.540 -26.852 -4.964 1.00 0.00 H new ATOM 0 HB3 PHE A 776 6.648 -25.633 -5.563 1.00 0.00 H new ATOM 0 HD1 PHE A 776 5.574 -23.251 -6.103 1.00 0.00 H new ATOM 0 HD2 PHE A 776 3.799 -26.243 -3.554 1.00 0.00 H new ATOM 0 HE1 PHE A 776 4.020 -21.545 -5.179 1.00 0.00 H new ATOM 0 HE2 PHE A 776 2.286 -24.519 -2.590 1.00 0.00 H new ATOM 0 HZ PHE A 776 2.356 -22.190 -3.448 1.00 0.00 H new ATOM 410 N LYS A 777 5.097 -28.740 -7.244 1.00 0.00 N ATOM 411 CA LYS A 777 5.537 -30.121 -7.498 1.00 0.00 C ATOM 412 C LYS A 777 4.331 -31.089 -7.636 1.00 0.00 C ATOM 413 O LYS A 777 3.251 -30.769 -7.124 1.00 0.00 O ATOM 414 CB LYS A 777 6.503 -30.550 -6.375 1.00 0.00 C ATOM 415 CG LYS A 777 5.883 -30.405 -4.977 1.00 0.00 C ATOM 416 CD LYS A 777 6.660 -31.197 -3.928 1.00 0.00 C ATOM 417 CE LYS A 777 8.078 -30.649 -3.715 1.00 0.00 C ATOM 418 NZ LYS A 777 8.807 -31.401 -2.661 1.00 0.00 N ATOM 0 H LYS A 777 4.142 -28.698 -6.888 1.00 0.00 H new ATOM 0 HA LYS A 777 6.064 -30.164 -8.451 1.00 0.00 H new ATOM 0 HB2 LYS A 777 6.799 -31.587 -6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 777 7.410 -29.948 -6.431 1.00 0.00 H new ATOM 0 HG2 LYS A 777 5.862 -29.352 -4.696 1.00 0.00 H new ATOM 0 HG3 LYS A 777 4.849 -30.749 -5.000 1.00 0.00 H new ATOM 0 HD2 LYS A 777 6.118 -31.173 -2.983 1.00 0.00 H new ATOM 0 HD3 LYS A 777 6.719 -32.241 -4.235 1.00 0.00 H new ATOM 0 HE2 LYS A 777 8.634 -30.704 -4.651 1.00 0.00 H new ATOM 0 HE3 LYS A 777 8.023 -29.596 -3.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 777 9.760 -31.002 -2.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 777 8.290 -31.327 -1.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 777 8.882 -32.401 -2.937 1.00 0.00 H new ATOM 432 N PRO A 778 4.481 -32.253 -8.311 1.00 0.00 N ATOM 433 CA PRO A 778 3.412 -33.241 -8.416 1.00 0.00 C ATOM 434 C PRO A 778 3.273 -34.004 -7.097 1.00 0.00 C ATOM 435 O PRO A 778 4.235 -34.154 -6.341 1.00 0.00 O ATOM 436 CB PRO A 778 3.819 -34.165 -9.567 1.00 0.00 C ATOM 437 CG PRO A 778 5.349 -34.139 -9.501 1.00 0.00 C ATOM 438 CD PRO A 778 5.654 -32.713 -9.047 1.00 0.00 C ATOM 0 HA PRO A 778 2.441 -32.786 -8.611 1.00 0.00 H new ATOM 0 HB2 PRO A 778 3.426 -35.173 -9.434 1.00 0.00 H new ATOM 0 HB3 PRO A 778 3.450 -33.802 -10.526 1.00 0.00 H new ATOM 0 HG2 PRO A 778 5.734 -34.877 -8.797 1.00 0.00 H new ATOM 0 HG3 PRO A 778 5.798 -34.358 -10.470 1.00 0.00 H new ATOM 0 HD2 PRO A 778 6.542 -32.688 -8.416 1.00 0.00 H new ATOM 0 HD3 PRO A 778 5.853 -32.068 -9.903 1.00 0.00 H new ATOM 446 N LYS A 779 2.067 -34.501 -6.823 1.00 0.00 N ATOM 447 CA LYS A 779 1.792 -35.342 -5.654 1.00 0.00 C ATOM 448 C LYS A 779 2.433 -36.735 -5.784 1.00 0.00 C ATOM 449 O LYS A 779 2.675 -37.236 -6.888 1.00 0.00 O ATOM 450 CB LYS A 779 0.275 -35.468 -5.442 1.00 0.00 C ATOM 451 CG LYS A 779 -0.384 -34.138 -5.049 1.00 0.00 C ATOM 452 CD LYS A 779 -1.901 -34.275 -4.839 1.00 0.00 C ATOM 453 CE LYS A 779 -2.625 -34.671 -6.137 1.00 0.00 C ATOM 454 NZ LYS A 779 -4.094 -34.778 -5.934 1.00 0.00 N ATOM 0 H LYS A 779 1.248 -34.332 -7.407 1.00 0.00 H new ATOM 0 HA LYS A 779 2.239 -34.859 -4.785 1.00 0.00 H new ATOM 0 HB2 LYS A 779 -0.185 -35.840 -6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 779 0.082 -36.208 -4.665 1.00 0.00 H new ATOM 0 HG2 LYS A 779 0.075 -33.765 -4.133 1.00 0.00 H new ATOM 0 HG3 LYS A 779 -0.193 -33.397 -5.826 1.00 0.00 H new ATOM 0 HD2 LYS A 779 -2.095 -35.024 -4.072 1.00 0.00 H new ATOM 0 HD3 LYS A 779 -2.304 -33.331 -4.472 1.00 0.00 H new ATOM 0 HE2 LYS A 779 -2.417 -33.932 -6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 779 -2.236 -35.624 -6.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 779 -4.550 -35.047 -6.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 779 -4.293 -35.501 -5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 779 -4.468 -33.861 -5.617 1.00 0.00 H new ATOM 468 N GLU A 780 2.624 -37.413 -4.654 1.00 0.00 N ATOM 469 CA GLU A 780 3.083 -38.810 -4.634 1.00 0.00 C ATOM 470 C GLU A 780 2.099 -39.742 -5.354 1.00 0.00 C ATOM 471 O GLU A 780 2.533 -40.677 -6.028 1.00 0.00 O ATOM 472 CB GLU A 780 3.311 -39.289 -3.192 1.00 0.00 C ATOM 473 CG GLU A 780 4.472 -38.546 -2.509 1.00 0.00 C ATOM 474 CD GLU A 780 4.743 -39.111 -1.107 1.00 0.00 C ATOM 475 OE1 GLU A 780 4.084 -38.667 -0.134 1.00 0.00 O ATOM 476 OE2 GLU A 780 5.617 -39.998 -0.962 1.00 0.00 O ATOM 0 H GLU A 780 2.467 -37.016 -3.728 1.00 0.00 H new ATOM 0 HA GLU A 780 4.031 -38.846 -5.171 1.00 0.00 H new ATOM 0 HB2 GLU A 780 2.398 -39.143 -2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 780 3.519 -40.359 -3.195 1.00 0.00 H new ATOM 0 HG2 GLU A 780 5.371 -38.632 -3.119 1.00 0.00 H new ATOM 0 HG3 GLU A 780 4.236 -37.484 -2.437 1.00 0.00 H new ATOM 483 N THR A 781 0.791 -39.445 -5.297 1.00 0.00 N ATOM 484 CA THR A 781 -0.251 -40.114 -6.082 1.00 0.00 C ATOM 485 C THR A 781 -0.091 -39.847 -7.575 1.00 0.00 C ATOM 486 O THR A 781 -0.164 -40.797 -8.346 1.00 0.00 O ATOM 487 CB THR A 781 -1.648 -39.705 -5.605 1.00 0.00 C ATOM 488 OG1 THR A 781 -1.717 -38.302 -5.416 1.00 0.00 O ATOM 489 CG2 THR A 781 -1.983 -40.383 -4.272 1.00 0.00 C ATOM 0 H THR A 781 0.423 -38.714 -4.688 1.00 0.00 H new ATOM 0 HA THR A 781 -0.136 -41.186 -5.924 1.00 0.00 H new ATOM 0 HB THR A 781 -2.361 -40.015 -6.369 1.00 0.00 H new ATOM 0 HG1 THR A 781 -2.616 -38.057 -5.113 1.00 0.00 H new ATOM 0 HG21 THR A 781 -2.979 -40.080 -3.950 1.00 0.00 H new ATOM 0 HG22 THR A 781 -1.956 -41.465 -4.397 1.00 0.00 H new ATOM 0 HG23 THR A 781 -1.252 -40.087 -3.519 1.00 0.00 H new ATOM 497 N CYS A 782 0.190 -38.608 -7.995 1.00 0.00 N ATOM 498 CA CYS A 782 0.424 -38.260 -9.399 1.00 0.00 C ATOM 499 C CYS A 782 1.674 -38.960 -9.967 1.00 0.00 C ATOM 500 O CYS A 782 1.641 -39.459 -11.095 1.00 0.00 O ATOM 501 CB CYS A 782 0.533 -36.733 -9.539 1.00 0.00 C ATOM 502 SG CYS A 782 -1.084 -35.961 -9.225 1.00 0.00 S ATOM 0 H CYS A 782 0.262 -37.811 -7.362 1.00 0.00 H new ATOM 0 HA CYS A 782 -0.424 -38.614 -9.985 1.00 0.00 H new ATOM 0 HB2 CYS A 782 1.272 -36.347 -8.836 1.00 0.00 H new ATOM 0 HB3 CYS A 782 0.880 -36.475 -10.540 1.00 0.00 H new ATOM 507 N VAL A 783 2.752 -39.034 -9.179 1.00 0.00 N ATOM 508 CA VAL A 783 3.986 -39.764 -9.543 1.00 0.00 C ATOM 509 C VAL A 783 3.742 -41.282 -9.590 1.00 0.00 C ATOM 510 O VAL A 783 4.188 -41.939 -10.527 1.00 0.00 O ATOM 511 CB VAL A 783 5.153 -39.402 -8.596 1.00 0.00 C ATOM 512 CG1 VAL A 783 6.425 -40.222 -8.885 1.00 0.00 C ATOM 513 CG2 VAL A 783 5.519 -37.910 -8.737 1.00 0.00 C ATOM 0 H VAL A 783 2.800 -38.588 -8.263 1.00 0.00 H new ATOM 0 HA VAL A 783 4.274 -39.450 -10.546 1.00 0.00 H new ATOM 0 HB VAL A 783 4.805 -39.629 -7.588 1.00 0.00 H new ATOM 0 HG11 VAL A 783 7.213 -39.928 -8.192 1.00 0.00 H new ATOM 0 HG12 VAL A 783 6.210 -41.283 -8.761 1.00 0.00 H new ATOM 0 HG13 VAL A 783 6.753 -40.036 -9.908 1.00 0.00 H new ATOM 0 HG21 VAL A 783 6.342 -37.672 -8.063 1.00 0.00 H new ATOM 0 HG22 VAL A 783 5.820 -37.705 -9.764 1.00 0.00 H new ATOM 0 HG23 VAL A 783 4.654 -37.298 -8.483 1.00 0.00 H new ATOM 523 N SER A 784 3.010 -41.852 -8.623 1.00 0.00 N ATOM 524 CA SER A 784 2.724 -43.298 -8.547 1.00 0.00 C ATOM 525 C SER A 784 1.755 -43.783 -9.644 1.00 0.00 C ATOM 526 O SER A 784 1.997 -44.816 -10.276 1.00 0.00 O ATOM 527 CB SER A 784 2.164 -43.635 -7.158 1.00 0.00 C ATOM 528 OG SER A 784 1.996 -45.034 -6.960 1.00 0.00 O ATOM 0 H SER A 784 2.593 -41.318 -7.860 1.00 0.00 H new ATOM 0 HA SER A 784 3.665 -43.822 -8.714 1.00 0.00 H new ATOM 0 HB2 SER A 784 2.835 -43.242 -6.395 1.00 0.00 H new ATOM 0 HB3 SER A 784 1.204 -43.135 -7.026 1.00 0.00 H new ATOM 0 HG SER A 784 1.639 -45.197 -6.062 1.00 0.00 H new ATOM 534 N GLU A 785 0.694 -43.021 -9.933 1.00 0.00 N ATOM 535 CA GLU A 785 -0.244 -43.285 -11.035 1.00 0.00 C ATOM 536 C GLU A 785 0.338 -42.897 -12.413 1.00 0.00 C ATOM 537 O GLU A 785 -0.302 -43.148 -13.434 1.00 0.00 O ATOM 538 CB GLU A 785 -1.565 -42.537 -10.785 1.00 0.00 C ATOM 539 CG GLU A 785 -2.347 -43.038 -9.560 1.00 0.00 C ATOM 540 CD GLU A 785 -2.891 -44.459 -9.760 1.00 0.00 C ATOM 541 OE1 GLU A 785 -3.829 -44.644 -10.575 1.00 0.00 O ATOM 542 OE2 GLU A 785 -2.414 -45.400 -9.079 1.00 0.00 O ATOM 0 H GLU A 785 0.457 -42.186 -9.398 1.00 0.00 H new ATOM 0 HA GLU A 785 -0.426 -44.359 -11.058 1.00 0.00 H new ATOM 0 HB2 GLU A 785 -1.351 -41.476 -10.657 1.00 0.00 H new ATOM 0 HB3 GLU A 785 -2.196 -42.630 -11.669 1.00 0.00 H new ATOM 0 HG2 GLU A 785 -1.698 -43.019 -8.684 1.00 0.00 H new ATOM 0 HG3 GLU A 785 -3.175 -42.359 -9.357 1.00 0.00 H new ATOM 549 N ASN A 786 1.535 -42.295 -12.461 1.00 0.00 N ATOM 550 CA ASN A 786 2.250 -41.901 -13.683 1.00 0.00 C ATOM 551 C ASN A 786 1.429 -40.915 -14.548 1.00 0.00 C ATOM 552 O ASN A 786 1.284 -41.085 -15.768 1.00 0.00 O ATOM 553 CB ASN A 786 2.769 -43.140 -14.450 1.00 0.00 C ATOM 554 CG ASN A 786 3.970 -43.796 -13.769 1.00 0.00 C ATOM 555 OD1 ASN A 786 5.102 -43.649 -14.216 1.00 0.00 O ATOM 556 ND2 ASN A 786 3.782 -44.542 -12.693 1.00 0.00 N ATOM 0 H ASN A 786 2.053 -42.060 -11.614 1.00 0.00 H new ATOM 0 HA ASN A 786 3.137 -41.339 -13.392 1.00 0.00 H new ATOM 0 HB2 ASN A 786 1.964 -43.870 -14.540 1.00 0.00 H new ATOM 0 HB3 ASN A 786 3.047 -42.845 -15.462 1.00 0.00 H new ATOM 0 HD21 ASN A 786 4.577 -44.992 -12.239 1.00 0.00 H new ATOM 0 HD22 ASN A 786 2.842 -44.667 -12.317 1.00 0.00 H new ATOM 563 N HIS A 787 0.871 -39.880 -13.907 1.00 0.00 N ATOM 564 CA HIS A 787 0.226 -38.742 -14.570 1.00 0.00 C ATOM 565 C HIS A 787 1.228 -37.999 -15.466 1.00 0.00 C ATOM 566 O HIS A 787 2.435 -37.993 -15.205 1.00 0.00 O ATOM 567 CB HIS A 787 -0.391 -37.790 -13.521 1.00 0.00 C ATOM 568 CG HIS A 787 -1.622 -38.310 -12.802 1.00 0.00 C ATOM 569 ND1 HIS A 787 -2.466 -37.575 -11.966 1.00 0.00 N ATOM 570 CD2 HIS A 787 -2.126 -39.582 -12.897 1.00 0.00 C ATOM 571 CE1 HIS A 787 -3.449 -38.421 -11.584 1.00 0.00 C ATOM 572 NE2 HIS A 787 -3.263 -39.633 -12.133 1.00 0.00 N ATOM 0 H HIS A 787 0.856 -39.810 -12.890 1.00 0.00 H new ATOM 0 HA HIS A 787 -0.577 -39.117 -15.205 1.00 0.00 H new ATOM 0 HB2 HIS A 787 0.370 -37.557 -12.777 1.00 0.00 H new ATOM 0 HB3 HIS A 787 -0.650 -36.854 -14.015 1.00 0.00 H new ATOM 0 HD2 HIS A 787 -1.704 -40.395 -13.469 1.00 0.00 H new ATOM 0 HE1 HIS A 787 -4.268 -38.160 -10.930 1.00 0.00 H new ATOM 0 HE2 HIS A 787 -3.863 -40.448 -12.004 1.00 0.00 H new ATOM 580 N ASP A 788 0.729 -37.356 -16.519 1.00 0.00 N ATOM 581 CA ASP A 788 1.529 -36.487 -17.387 1.00 0.00 C ATOM 582 C ASP A 788 1.626 -35.084 -16.776 1.00 0.00 C ATOM 583 O ASP A 788 0.621 -34.554 -16.303 1.00 0.00 O ATOM 584 CB ASP A 788 0.924 -36.422 -18.795 1.00 0.00 C ATOM 585 CG ASP A 788 1.096 -37.745 -19.568 1.00 0.00 C ATOM 586 OD1 ASP A 788 2.260 -38.099 -19.881 1.00 0.00 O ATOM 587 OD2 ASP A 788 0.078 -38.400 -19.891 1.00 0.00 O ATOM 0 H ASP A 788 -0.250 -37.422 -16.798 1.00 0.00 H new ATOM 0 HA ASP A 788 2.533 -36.904 -17.470 1.00 0.00 H new ATOM 0 HB2 ASP A 788 -0.137 -36.182 -18.721 1.00 0.00 H new ATOM 0 HB3 ASP A 788 1.396 -35.614 -19.354 1.00 0.00 H new ATOM 592 N PHE A 789 2.808 -34.468 -16.830 1.00 0.00 N ATOM 593 CA PHE A 789 3.018 -33.087 -16.383 1.00 0.00 C ATOM 594 C PHE A 789 4.017 -32.324 -17.258 1.00 0.00 C ATOM 595 O PHE A 789 4.933 -32.904 -17.848 1.00 0.00 O ATOM 596 CB PHE A 789 3.432 -32.996 -14.896 1.00 0.00 C ATOM 597 CG PHE A 789 3.783 -34.261 -14.142 1.00 0.00 C ATOM 598 CD1 PHE A 789 5.115 -34.725 -14.120 1.00 0.00 C ATOM 599 CD2 PHE A 789 2.796 -34.921 -13.391 1.00 0.00 C ATOM 600 CE1 PHE A 789 5.453 -35.847 -13.344 1.00 0.00 C ATOM 601 CE2 PHE A 789 3.139 -36.041 -12.614 1.00 0.00 C ATOM 602 CZ PHE A 789 4.465 -36.506 -12.587 1.00 0.00 C ATOM 0 H PHE A 789 3.653 -34.915 -17.187 1.00 0.00 H new ATOM 0 HA PHE A 789 2.046 -32.606 -16.490 1.00 0.00 H new ATOM 0 HB2 PHE A 789 4.293 -32.331 -14.837 1.00 0.00 H new ATOM 0 HB3 PHE A 789 2.617 -32.511 -14.359 1.00 0.00 H new ATOM 0 HD1 PHE A 789 5.874 -34.219 -14.698 1.00 0.00 H new ATOM 0 HD2 PHE A 789 1.775 -34.568 -13.411 1.00 0.00 H new ATOM 0 HE1 PHE A 789 6.472 -36.204 -13.328 1.00 0.00 H new ATOM 0 HE2 PHE A 789 2.380 -36.546 -12.035 1.00 0.00 H new ATOM 0 HZ PHE A 789 4.725 -37.366 -11.988 1.00 0.00 H new ATOM 612 N HIS A 790 3.854 -31.003 -17.288 1.00 0.00 N ATOM 613 CA HIS A 790 4.800 -30.051 -17.875 1.00 0.00 C ATOM 614 C HIS A 790 5.358 -29.136 -16.773 1.00 0.00 C ATOM 615 O HIS A 790 4.593 -28.524 -16.021 1.00 0.00 O ATOM 616 CB HIS A 790 4.111 -29.202 -18.961 1.00 0.00 C ATOM 617 CG HIS A 790 3.858 -29.910 -20.272 1.00 0.00 C ATOM 618 ND1 HIS A 790 4.197 -29.439 -21.523 1.00 0.00 N ATOM 619 CD2 HIS A 790 3.229 -31.115 -20.459 1.00 0.00 C ATOM 620 CE1 HIS A 790 3.788 -30.334 -22.435 1.00 0.00 C ATOM 621 NE2 HIS A 790 3.189 -31.383 -21.835 1.00 0.00 N ATOM 0 H HIS A 790 3.032 -30.548 -16.891 1.00 0.00 H new ATOM 0 HA HIS A 790 5.616 -30.606 -18.337 1.00 0.00 H new ATOM 0 HB2 HIS A 790 3.158 -28.846 -18.570 1.00 0.00 H new ATOM 0 HB3 HIS A 790 4.725 -28.322 -19.155 1.00 0.00 H new ATOM 0 HD2 HIS A 790 2.832 -31.749 -19.680 1.00 0.00 H new ATOM 0 HE1 HIS A 790 3.920 -30.229 -23.502 1.00 0.00 H new ATOM 0 HE2 HIS A 790 2.789 -32.204 -22.289 1.00 0.00 H new ATOM 629 N TRP A 791 6.686 -29.015 -16.689 1.00 0.00 N ATOM 630 CA TRP A 791 7.379 -28.109 -15.764 1.00 0.00 C ATOM 631 C TRP A 791 7.709 -26.761 -16.422 1.00 0.00 C ATOM 632 O TRP A 791 7.938 -26.678 -17.636 1.00 0.00 O ATOM 633 CB TRP A 791 8.648 -28.788 -15.217 1.00 0.00 C ATOM 634 CG TRP A 791 8.427 -29.939 -14.282 1.00 0.00 C ATOM 635 CD1 TRP A 791 8.184 -31.221 -14.647 1.00 0.00 C ATOM 636 CD2 TRP A 791 8.470 -29.946 -12.817 1.00 0.00 C ATOM 637 NE1 TRP A 791 8.069 -32.017 -13.520 1.00 0.00 N ATOM 638 CE2 TRP A 791 8.253 -31.285 -12.366 1.00 0.00 C ATOM 639 CE3 TRP A 791 8.686 -28.967 -11.822 1.00 0.00 C ATOM 640 CZ2 TRP A 791 8.274 -31.637 -11.006 1.00 0.00 C ATOM 641 CZ3 TRP A 791 8.691 -29.305 -10.454 1.00 0.00 C ATOM 642 CH2 TRP A 791 8.494 -30.635 -10.048 1.00 0.00 C ATOM 0 H TRP A 791 7.324 -29.555 -17.274 1.00 0.00 H new ATOM 0 HA TRP A 791 6.708 -27.896 -14.932 1.00 0.00 H new ATOM 0 HB2 TRP A 791 9.240 -29.140 -16.062 1.00 0.00 H new ATOM 0 HB3 TRP A 791 9.245 -28.036 -14.701 1.00 0.00 H new ATOM 0 HD1 TRP A 791 8.094 -31.570 -15.665 1.00 0.00 H new ATOM 0 HE1 TRP A 791 7.873 -33.018 -13.541 1.00 0.00 H new ATOM 0 HE3 TRP A 791 8.850 -27.941 -12.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 791 8.123 -32.662 -10.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 791 8.847 -28.536 -9.712 1.00 0.00 H new ATOM 0 HH2 TRP A 791 8.512 -30.887 -8.998 1.00 0.00 H new ATOM 653 N HIS A 792 7.764 -25.701 -15.614 1.00 0.00 N ATOM 654 CA HIS A 792 8.029 -24.311 -16.011 1.00 0.00 C ATOM 655 C HIS A 792 8.394 -23.458 -14.773 1.00 0.00 C ATOM 656 O HIS A 792 8.404 -23.980 -13.655 1.00 0.00 O ATOM 657 CB HIS A 792 6.815 -23.743 -16.774 1.00 0.00 C ATOM 658 CG HIS A 792 5.518 -23.701 -15.992 1.00 0.00 C ATOM 659 ND1 HIS A 792 4.865 -22.568 -15.563 1.00 0.00 N ATOM 660 CD2 HIS A 792 4.717 -24.765 -15.668 1.00 0.00 C ATOM 661 CE1 HIS A 792 3.698 -22.941 -15.005 1.00 0.00 C ATOM 662 NE2 HIS A 792 3.565 -24.281 -15.036 1.00 0.00 N ATOM 0 H HIS A 792 7.617 -25.791 -14.609 1.00 0.00 H new ATOM 0 HA HIS A 792 8.885 -24.280 -16.685 1.00 0.00 H new ATOM 0 HB2 HIS A 792 7.054 -22.732 -17.102 1.00 0.00 H new ATOM 0 HB3 HIS A 792 6.659 -24.341 -17.672 1.00 0.00 H new ATOM 0 HD1 HIS A 792 5.206 -21.611 -15.652 1.00 0.00 H new ATOM 0 HD2 HIS A 792 4.938 -25.803 -15.867 1.00 0.00 H new ATOM 0 HE1 HIS A 792 2.969 -22.260 -14.590 1.00 0.00 H new ATOM 670 N ASN A 793 8.694 -22.164 -14.934 1.00 0.00 N ATOM 671 CA ASN A 793 8.943 -21.244 -13.808 1.00 0.00 C ATOM 672 C ASN A 793 7.689 -20.442 -13.397 1.00 0.00 C ATOM 673 O ASN A 793 6.774 -20.219 -14.200 1.00 0.00 O ATOM 674 CB ASN A 793 10.112 -20.307 -14.148 1.00 0.00 C ATOM 675 CG ASN A 793 11.451 -21.033 -14.065 1.00 0.00 C ATOM 676 OD1 ASN A 793 12.090 -21.323 -15.066 1.00 0.00 O ATOM 677 ND2 ASN A 793 11.905 -21.357 -12.865 1.00 0.00 N ATOM 0 H ASN A 793 8.772 -21.720 -15.849 1.00 0.00 H new ATOM 0 HA ASN A 793 9.208 -21.853 -12.943 1.00 0.00 H new ATOM 0 HB2 ASN A 793 9.977 -19.904 -15.152 1.00 0.00 H new ATOM 0 HB3 ASN A 793 10.113 -19.460 -13.462 1.00 0.00 H new ATOM 0 HD21 ASN A 793 12.792 -21.851 -12.772 1.00 0.00 H new ATOM 0 HD22 ASN A 793 11.368 -21.112 -12.033 1.00 0.00 H new ATOM 684 N GLY A 794 7.662 -20.005 -12.132 1.00 0.00 N ATOM 685 CA GLY A 794 6.584 -19.205 -11.522 1.00 0.00 C ATOM 686 C GLY A 794 7.037 -18.403 -10.292 1.00 0.00 C ATOM 687 O GLY A 794 8.214 -18.414 -9.933 1.00 0.00 O ATOM 0 H GLY A 794 8.418 -20.205 -11.477 1.00 0.00 H new ATOM 0 HA2 GLY A 794 6.186 -18.517 -12.268 1.00 0.00 H new ATOM 0 HA3 GLY A 794 5.769 -19.868 -11.233 1.00 0.00 H new ATOM 691 N VAL A 795 6.095 -17.706 -9.651 1.00 0.00 N ATOM 692 CA VAL A 795 6.291 -16.918 -8.412 1.00 0.00 C ATOM 693 C VAL A 795 5.199 -17.285 -7.406 1.00 0.00 C ATOM 694 O VAL A 795 4.022 -17.371 -7.760 1.00 0.00 O ATOM 695 CB VAL A 795 6.271 -15.392 -8.684 1.00 0.00 C ATOM 696 CG1 VAL A 795 6.468 -14.586 -7.390 1.00 0.00 C ATOM 697 CG2 VAL A 795 7.382 -14.981 -9.670 1.00 0.00 C ATOM 0 H VAL A 795 5.133 -17.668 -9.988 1.00 0.00 H new ATOM 0 HA VAL A 795 7.273 -17.161 -8.007 1.00 0.00 H new ATOM 0 HB VAL A 795 5.293 -15.173 -9.112 1.00 0.00 H new ATOM 0 HG11 VAL A 795 6.448 -13.520 -7.619 1.00 0.00 H new ATOM 0 HG12 VAL A 795 5.667 -14.822 -6.689 1.00 0.00 H new ATOM 0 HG13 VAL A 795 7.428 -14.844 -6.943 1.00 0.00 H new ATOM 0 HG21 VAL A 795 7.339 -13.905 -9.838 1.00 0.00 H new ATOM 0 HG22 VAL A 795 8.354 -15.245 -9.253 1.00 0.00 H new ATOM 0 HG23 VAL A 795 7.239 -15.502 -10.617 1.00 0.00 H new ATOM 707 N LYS A 796 5.597 -17.512 -6.145 1.00 0.00 N ATOM 708 CA LYS A 796 4.720 -18.028 -5.085 1.00 0.00 C ATOM 709 C LYS A 796 4.272 -16.959 -4.068 1.00 0.00 C ATOM 710 O LYS A 796 4.998 -16.006 -3.776 1.00 0.00 O ATOM 711 CB LYS A 796 5.408 -19.244 -4.448 1.00 0.00 C ATOM 712 CG LYS A 796 6.568 -18.893 -3.500 1.00 0.00 C ATOM 713 CD LYS A 796 7.667 -19.959 -3.511 1.00 0.00 C ATOM 714 CE LYS A 796 7.135 -21.341 -3.102 1.00 0.00 C ATOM 715 NZ LYS A 796 8.197 -22.374 -3.162 1.00 0.00 N ATOM 0 H LYS A 796 6.551 -17.339 -5.829 1.00 0.00 H new ATOM 0 HA LYS A 796 3.775 -18.344 -5.527 1.00 0.00 H new ATOM 0 HB2 LYS A 796 4.665 -19.819 -3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 796 5.785 -19.890 -5.241 1.00 0.00 H new ATOM 0 HG2 LYS A 796 6.993 -17.932 -3.789 1.00 0.00 H new ATOM 0 HG3 LYS A 796 6.185 -18.779 -2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 796 8.103 -20.019 -4.508 1.00 0.00 H new ATOM 0 HD3 LYS A 796 8.466 -19.663 -2.831 1.00 0.00 H new ATOM 0 HE2 LYS A 796 6.731 -21.292 -2.091 1.00 0.00 H new ATOM 0 HE3 LYS A 796 6.313 -21.624 -3.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 796 7.803 -23.294 -2.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 796 8.565 -22.438 -4.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 796 8.970 -22.115 -2.516 1.00 0.00 H new ATOM 729 N ARG A 797 3.064 -17.146 -3.528 1.00 0.00 N ATOM 730 CA ARG A 797 2.370 -16.280 -2.570 1.00 0.00 C ATOM 731 C ARG A 797 2.202 -17.022 -1.247 1.00 0.00 C ATOM 732 O ARG A 797 1.776 -18.180 -1.238 1.00 0.00 O ATOM 733 CB ARG A 797 0.978 -15.900 -3.108 1.00 0.00 C ATOM 734 CG ARG A 797 0.989 -15.207 -4.479 1.00 0.00 C ATOM 735 CD ARG A 797 1.563 -13.782 -4.401 1.00 0.00 C ATOM 736 NE ARG A 797 2.046 -13.299 -5.703 1.00 0.00 N ATOM 737 CZ ARG A 797 1.354 -12.941 -6.772 1.00 0.00 C ATOM 738 NH1 ARG A 797 0.052 -13.121 -6.889 1.00 0.00 N ATOM 739 NH2 ARG A 797 2.020 -12.371 -7.751 1.00 0.00 N ATOM 0 H ARG A 797 2.505 -17.966 -3.766 1.00 0.00 H new ATOM 0 HA ARG A 797 2.959 -15.375 -2.422 1.00 0.00 H new ATOM 0 HB2 ARG A 797 0.371 -16.803 -3.177 1.00 0.00 H new ATOM 0 HB3 ARG A 797 0.492 -15.243 -2.387 1.00 0.00 H new ATOM 0 HG2 ARG A 797 1.580 -15.798 -5.179 1.00 0.00 H new ATOM 0 HG3 ARG A 797 -0.026 -15.168 -4.873 1.00 0.00 H new ATOM 0 HD2 ARG A 797 0.795 -13.104 -4.027 1.00 0.00 H new ATOM 0 HD3 ARG A 797 2.383 -13.762 -3.683 1.00 0.00 H new ATOM 0 HE ARG A 797 3.059 -13.230 -5.795 1.00 0.00 H new ATOM 0 HH11 ARG A 797 -0.473 -13.557 -6.131 1.00 0.00 H new ATOM 0 HH12 ARG A 797 -0.430 -12.825 -7.738 1.00 0.00 H new ATOM 0 HH21 ARG A 797 3.026 -12.223 -7.665 1.00 0.00 H new ATOM 0 HH22 ARG A 797 1.531 -12.077 -8.597 1.00 0.00 H new ATOM 753 N PHE A 798 2.531 -16.361 -0.141 1.00 0.00 N ATOM 754 CA PHE A 798 2.497 -16.941 1.201 1.00 0.00 C ATOM 755 C PHE A 798 1.230 -16.524 1.957 1.00 0.00 C ATOM 756 O PHE A 798 0.766 -15.389 1.815 1.00 0.00 O ATOM 757 CB PHE A 798 3.764 -16.512 1.957 1.00 0.00 C ATOM 758 CG PHE A 798 5.065 -16.773 1.224 1.00 0.00 C ATOM 759 CD1 PHE A 798 5.514 -18.090 1.030 1.00 0.00 C ATOM 760 CD2 PHE A 798 5.855 -15.697 0.772 1.00 0.00 C ATOM 761 CE1 PHE A 798 6.738 -18.332 0.382 1.00 0.00 C ATOM 762 CE2 PHE A 798 7.091 -15.934 0.151 1.00 0.00 C ATOM 763 CZ PHE A 798 7.529 -17.253 -0.053 1.00 0.00 C ATOM 0 H PHE A 798 2.835 -15.387 -0.151 1.00 0.00 H new ATOM 0 HA PHE A 798 2.472 -18.028 1.124 1.00 0.00 H new ATOM 0 HB2 PHE A 798 3.695 -15.447 2.176 1.00 0.00 H new ATOM 0 HB3 PHE A 798 3.792 -17.033 2.914 1.00 0.00 H new ATOM 0 HD1 PHE A 798 4.917 -18.919 1.380 1.00 0.00 H new ATOM 0 HD2 PHE A 798 5.507 -14.683 0.904 1.00 0.00 H new ATOM 0 HE1 PHE A 798 7.071 -19.346 0.218 1.00 0.00 H new ATOM 0 HE2 PHE A 798 7.704 -15.104 -0.169 1.00 0.00 H new ATOM 0 HZ PHE A 798 8.473 -17.439 -0.544 1.00 0.00 H new ATOM 773 N PHE A 799 0.698 -17.423 2.792 1.00 0.00 N ATOM 774 CA PHE A 799 -0.523 -17.188 3.572 1.00 0.00 C ATOM 775 C PHE A 799 -0.401 -17.652 5.027 1.00 0.00 C ATOM 776 O PHE A 799 0.362 -18.568 5.346 1.00 0.00 O ATOM 777 CB PHE A 799 -1.730 -17.856 2.896 1.00 0.00 C ATOM 778 CG PHE A 799 -1.935 -17.424 1.460 1.00 0.00 C ATOM 779 CD1 PHE A 799 -1.251 -18.073 0.413 1.00 0.00 C ATOM 780 CD2 PHE A 799 -2.775 -16.331 1.173 1.00 0.00 C ATOM 781 CE1 PHE A 799 -1.375 -17.603 -0.903 1.00 0.00 C ATOM 782 CE2 PHE A 799 -2.896 -15.860 -0.146 1.00 0.00 C ATOM 783 CZ PHE A 799 -2.188 -16.493 -1.189 1.00 0.00 C ATOM 0 H PHE A 799 1.107 -18.344 2.947 1.00 0.00 H new ATOM 0 HA PHE A 799 -0.674 -16.109 3.598 1.00 0.00 H new ATOM 0 HB2 PHE A 799 -1.600 -18.938 2.926 1.00 0.00 H new ATOM 0 HB3 PHE A 799 -2.629 -17.627 3.468 1.00 0.00 H new ATOM 0 HD1 PHE A 799 -0.631 -18.932 0.624 1.00 0.00 H new ATOM 0 HD2 PHE A 799 -3.328 -15.853 1.968 1.00 0.00 H new ATOM 0 HE1 PHE A 799 -0.842 -18.098 -1.702 1.00 0.00 H new ATOM 0 HE2 PHE A 799 -3.531 -15.013 -0.361 1.00 0.00 H new ATOM 0 HZ PHE A 799 -2.270 -16.127 -2.202 1.00 0.00 H new ATOM 793 N LYS A 800 -1.178 -17.020 5.909 1.00 0.00 N ATOM 794 CA LYS A 800 -1.290 -17.335 7.342 1.00 0.00 C ATOM 795 C LYS A 800 -2.756 -17.425 7.803 1.00 0.00 C ATOM 796 O LYS A 800 -3.605 -16.645 7.376 1.00 0.00 O ATOM 797 CB LYS A 800 -0.493 -16.278 8.135 1.00 0.00 C ATOM 798 CG LYS A 800 -0.546 -16.530 9.647 1.00 0.00 C ATOM 799 CD LYS A 800 0.283 -15.527 10.464 1.00 0.00 C ATOM 800 CE LYS A 800 0.270 -15.865 11.967 1.00 0.00 C ATOM 801 NZ LYS A 800 -1.095 -15.834 12.559 1.00 0.00 N ATOM 0 H LYS A 800 -1.775 -16.239 5.636 1.00 0.00 H new ATOM 0 HA LYS A 800 -0.868 -18.322 7.530 1.00 0.00 H new ATOM 0 HB2 LYS A 800 0.545 -16.283 7.803 1.00 0.00 H new ATOM 0 HB3 LYS A 800 -0.892 -15.287 7.919 1.00 0.00 H new ATOM 0 HG2 LYS A 800 -1.583 -16.487 9.978 1.00 0.00 H new ATOM 0 HG3 LYS A 800 -0.187 -17.539 9.852 1.00 0.00 H new ATOM 0 HD2 LYS A 800 1.311 -15.524 10.101 1.00 0.00 H new ATOM 0 HD3 LYS A 800 -0.111 -14.522 10.314 1.00 0.00 H new ATOM 0 HE2 LYS A 800 0.702 -16.855 12.115 1.00 0.00 H new ATOM 0 HE3 LYS A 800 0.906 -15.157 12.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 -1.030 -15.968 13.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 -1.540 -14.916 12.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 -1.670 -16.596 12.146 1.00 0.00 H new ATOM 815 N CYS A 801 -3.033 -18.365 8.708 1.00 0.00 N ATOM 816 CA CYS A 801 -4.295 -18.528 9.437 1.00 0.00 C ATOM 817 C CYS A 801 -4.212 -17.886 10.854 1.00 0.00 C ATOM 818 O CYS A 801 -3.114 -17.870 11.436 1.00 0.00 O ATOM 819 CB CYS A 801 -4.534 -20.046 9.531 1.00 0.00 C ATOM 820 SG CYS A 801 -6.156 -20.449 10.245 1.00 0.00 S ATOM 0 H CYS A 801 -2.346 -19.073 8.967 1.00 0.00 H new ATOM 0 HA CYS A 801 -5.116 -18.027 8.924 1.00 0.00 H new ATOM 0 HB2 CYS A 801 -4.459 -20.485 8.536 1.00 0.00 H new ATOM 0 HB3 CYS A 801 -3.750 -20.498 10.139 1.00 0.00 H new ATOM 825 N PRO A 802 -5.321 -17.381 11.447 1.00 0.00 N ATOM 826 CA PRO A 802 -5.323 -16.799 12.797 1.00 0.00 C ATOM 827 C PRO A 802 -4.830 -17.729 13.929 1.00 0.00 C ATOM 828 O PRO A 802 -4.340 -17.223 14.937 1.00 0.00 O ATOM 829 CB PRO A 802 -6.762 -16.315 13.048 1.00 0.00 C ATOM 830 CG PRO A 802 -7.596 -17.023 11.981 1.00 0.00 C ATOM 831 CD PRO A 802 -6.615 -17.142 10.821 1.00 0.00 C ATOM 0 HA PRO A 802 -4.594 -15.989 12.824 1.00 0.00 H new ATOM 0 HB2 PRO A 802 -7.099 -16.575 14.052 1.00 0.00 H new ATOM 0 HB3 PRO A 802 -6.838 -15.231 12.957 1.00 0.00 H new ATOM 0 HG2 PRO A 802 -7.944 -17.999 12.320 1.00 0.00 H new ATOM 0 HG3 PRO A 802 -8.480 -16.446 11.708 1.00 0.00 H new ATOM 0 HD2 PRO A 802 -6.889 -17.960 10.155 1.00 0.00 H new ATOM 0 HD3 PRO A 802 -6.601 -16.233 10.220 1.00 0.00 H new ATOM 839 N CYS A 803 -4.894 -19.058 13.777 1.00 0.00 N ATOM 840 CA CYS A 803 -4.357 -20.011 14.761 1.00 0.00 C ATOM 841 C CYS A 803 -2.810 -20.141 14.749 1.00 0.00 C ATOM 842 O CYS A 803 -2.229 -20.711 15.680 1.00 0.00 O ATOM 843 CB CYS A 803 -5.050 -21.374 14.577 1.00 0.00 C ATOM 844 SG CYS A 803 -4.469 -22.246 13.082 1.00 0.00 S ATOM 0 H CYS A 803 -5.321 -19.506 12.966 1.00 0.00 H new ATOM 0 HA CYS A 803 -4.583 -19.612 15.750 1.00 0.00 H new ATOM 0 HB2 CYS A 803 -4.865 -21.995 15.453 1.00 0.00 H new ATOM 0 HB3 CYS A 803 -6.128 -21.226 14.514 1.00 0.00 H new ATOM 849 N GLY A 804 -2.145 -19.607 13.713 1.00 0.00 N ATOM 850 CA GLY A 804 -0.690 -19.666 13.503 1.00 0.00 C ATOM 851 C GLY A 804 -0.241 -20.603 12.376 1.00 0.00 C ATOM 852 O GLY A 804 0.926 -20.564 11.988 1.00 0.00 O ATOM 0 H GLY A 804 -2.626 -19.102 12.969 1.00 0.00 H new ATOM 0 HA2 GLY A 804 -0.327 -18.661 13.287 1.00 0.00 H new ATOM 0 HA3 GLY A 804 -0.216 -19.984 14.431 1.00 0.00 H new ATOM 856 N ASN A 805 -1.143 -21.417 11.820 1.00 0.00 N ATOM 857 CA ASN A 805 -0.845 -22.286 10.670 1.00 0.00 C ATOM 858 C ASN A 805 -0.528 -21.478 9.390 1.00 0.00 C ATOM 859 O ASN A 805 -0.965 -20.331 9.233 1.00 0.00 O ATOM 860 CB ASN A 805 -2.011 -23.274 10.467 1.00 0.00 C ATOM 861 CG ASN A 805 -1.698 -24.404 9.487 1.00 0.00 C ATOM 862 OD1 ASN A 805 -0.550 -24.791 9.281 1.00 0.00 O ATOM 863 ND2 ASN A 805 -2.699 -24.964 8.839 1.00 0.00 N ATOM 0 H ASN A 805 -2.104 -21.495 12.153 1.00 0.00 H new ATOM 0 HA ASN A 805 0.061 -22.853 10.884 1.00 0.00 H new ATOM 0 HB2 ASN A 805 -2.281 -23.706 11.431 1.00 0.00 H new ATOM 0 HB3 ASN A 805 -2.882 -22.725 10.108 1.00 0.00 H new ATOM 0 HD21 ASN A 805 -2.519 -25.714 8.171 1.00 0.00 H new ATOM 0 HD22 ASN A 805 -3.654 -24.648 9.005 1.00 0.00 H new ATOM 870 N ARG A 806 0.227 -22.079 8.462 1.00 0.00 N ATOM 871 CA ARG A 806 0.711 -21.453 7.220 1.00 0.00 C ATOM 872 C ARG A 806 0.381 -22.312 5.984 1.00 0.00 C ATOM 873 O ARG A 806 0.204 -23.529 6.100 1.00 0.00 O ATOM 874 CB ARG A 806 2.239 -21.258 7.315 1.00 0.00 C ATOM 875 CG ARG A 806 2.706 -20.341 8.465 1.00 0.00 C ATOM 876 CD ARG A 806 2.216 -18.886 8.370 1.00 0.00 C ATOM 877 NE ARG A 806 2.686 -18.228 7.142 1.00 0.00 N ATOM 878 CZ ARG A 806 3.882 -17.676 6.949 1.00 0.00 C ATOM 879 NH1 ARG A 806 4.797 -17.622 7.896 1.00 0.00 N ATOM 880 NH2 ARG A 806 4.175 -17.167 5.776 1.00 0.00 N ATOM 0 H ARG A 806 0.530 -23.049 8.556 1.00 0.00 H new ATOM 0 HA ARG A 806 0.209 -20.492 7.105 1.00 0.00 H new ATOM 0 HB2 ARG A 806 2.709 -22.234 7.435 1.00 0.00 H new ATOM 0 HB3 ARG A 806 2.597 -20.845 6.372 1.00 0.00 H new ATOM 0 HG2 ARG A 806 2.364 -20.764 9.410 1.00 0.00 H new ATOM 0 HG3 ARG A 806 3.796 -20.342 8.492 1.00 0.00 H new ATOM 0 HD2 ARG A 806 1.127 -18.867 8.398 1.00 0.00 H new ATOM 0 HD3 ARG A 806 2.566 -18.328 9.238 1.00 0.00 H new ATOM 0 HE ARG A 806 2.031 -18.191 6.361 1.00 0.00 H new ATOM 0 HH11 ARG A 806 4.601 -18.012 8.818 1.00 0.00 H new ATOM 0 HH12 ARG A 806 5.702 -17.190 7.707 1.00 0.00 H new ATOM 0 HH21 ARG A 806 3.489 -17.196 5.022 1.00 0.00 H new ATOM 0 HH22 ARG A 806 5.089 -16.742 5.618 1.00 0.00 H new ATOM 894 N THR A 807 0.361 -21.685 4.799 1.00 0.00 N ATOM 895 CA THR A 807 0.275 -22.342 3.479 1.00 0.00 C ATOM 896 C THR A 807 0.810 -21.424 2.380 1.00 0.00 C ATOM 897 O THR A 807 1.183 -20.279 2.641 1.00 0.00 O ATOM 898 CB THR A 807 -1.139 -22.891 3.203 1.00 0.00 C ATOM 899 OG1 THR A 807 -1.053 -23.881 2.204 1.00 0.00 O ATOM 900 CG2 THR A 807 -2.152 -21.843 2.742 1.00 0.00 C ATOM 0 H THR A 807 0.406 -20.669 4.727 1.00 0.00 H new ATOM 0 HA THR A 807 0.922 -23.219 3.484 1.00 0.00 H new ATOM 0 HB THR A 807 -1.500 -23.279 4.155 1.00 0.00 H new ATOM 0 HG1 THR A 807 -1.887 -23.900 1.689 1.00 0.00 H new ATOM 0 HG21 THR A 807 -3.117 -22.320 2.572 1.00 0.00 H new ATOM 0 HG22 THR A 807 -2.256 -21.076 3.509 1.00 0.00 H new ATOM 0 HG23 THR A 807 -1.806 -21.385 1.815 1.00 0.00 H new ATOM 908 N ILE A 808 0.884 -21.935 1.156 1.00 0.00 N ATOM 909 CA ILE A 808 1.481 -21.275 -0.019 1.00 0.00 C ATOM 910 C ILE A 808 0.633 -21.599 -1.259 1.00 0.00 C ATOM 911 O ILE A 808 0.134 -22.719 -1.399 1.00 0.00 O ATOM 912 CB ILE A 808 2.964 -21.712 -0.223 1.00 0.00 C ATOM 913 CG1 ILE A 808 3.770 -21.836 1.101 1.00 0.00 C ATOM 914 CG2 ILE A 808 3.674 -20.725 -1.168 1.00 0.00 C ATOM 915 CD1 ILE A 808 5.251 -22.194 0.934 1.00 0.00 C ATOM 0 H ILE A 808 0.516 -22.861 0.937 1.00 0.00 H new ATOM 0 HA ILE A 808 1.488 -20.197 0.142 1.00 0.00 H new ATOM 0 HB ILE A 808 2.930 -22.710 -0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 808 3.700 -20.891 1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 808 3.298 -22.595 1.725 1.00 0.00 H new ATOM 0 HG21 ILE A 808 4.710 -21.035 -1.307 1.00 0.00 H new ATOM 0 HG22 ILE A 808 3.166 -20.715 -2.132 1.00 0.00 H new ATOM 0 HG23 ILE A 808 3.650 -19.725 -0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 808 5.723 -22.256 1.914 1.00 0.00 H new ATOM 0 HD12 ILE A 808 5.338 -23.155 0.428 1.00 0.00 H new ATOM 0 HD13 ILE A 808 5.747 -21.425 0.341 1.00 0.00 H new ATOM 927 N SER A 809 0.485 -20.651 -2.183 1.00 0.00 N ATOM 928 CA SER A 809 -0.167 -20.860 -3.488 1.00 0.00 C ATOM 929 C SER A 809 0.566 -20.112 -4.617 1.00 0.00 C ATOM 930 O SER A 809 1.392 -19.229 -4.366 1.00 0.00 O ATOM 931 CB SER A 809 -1.644 -20.431 -3.415 1.00 0.00 C ATOM 932 OG SER A 809 -2.347 -20.809 -4.591 1.00 0.00 O ATOM 0 H SER A 809 0.819 -19.696 -2.049 1.00 0.00 H new ATOM 0 HA SER A 809 -0.119 -21.923 -3.722 1.00 0.00 H new ATOM 0 HB2 SER A 809 -2.115 -20.887 -2.544 1.00 0.00 H new ATOM 0 HB3 SER A 809 -1.706 -19.351 -3.282 1.00 0.00 H new ATOM 0 HG SER A 809 -3.283 -20.526 -4.518 1.00 0.00 H new ATOM 938 N LEU A 810 0.259 -20.442 -5.877 1.00 0.00 N ATOM 939 CA LEU A 810 0.620 -19.644 -7.059 1.00 0.00 C ATOM 940 C LEU A 810 -0.487 -18.641 -7.439 1.00 0.00 C ATOM 941 O LEU A 810 -0.263 -17.776 -8.289 1.00 0.00 O ATOM 942 CB LEU A 810 0.922 -20.614 -8.227 1.00 0.00 C ATOM 943 CG LEU A 810 2.119 -21.565 -8.004 1.00 0.00 C ATOM 944 CD1 LEU A 810 2.231 -22.560 -9.167 1.00 0.00 C ATOM 945 CD2 LEU A 810 3.439 -20.795 -7.848 1.00 0.00 C ATOM 0 H LEU A 810 -0.259 -21.289 -6.110 1.00 0.00 H new ATOM 0 HA LEU A 810 1.504 -19.048 -6.832 1.00 0.00 H new ATOM 0 HB2 LEU A 810 0.033 -21.215 -8.418 1.00 0.00 H new ATOM 0 HB3 LEU A 810 1.109 -20.027 -9.126 1.00 0.00 H new ATOM 0 HG LEU A 810 1.937 -22.108 -7.076 1.00 0.00 H new ATOM 0 HD11 LEU A 810 3.078 -23.224 -8.997 1.00 0.00 H new ATOM 0 HD12 LEU A 810 1.316 -23.149 -9.232 1.00 0.00 H new ATOM 0 HD13 LEU A 810 2.378 -22.015 -10.099 1.00 0.00 H new ATOM 0 HD21 LEU A 810 4.256 -21.500 -7.693 1.00 0.00 H new ATOM 0 HD22 LEU A 810 3.629 -20.212 -8.749 1.00 0.00 H new ATOM 0 HD23 LEU A 810 3.370 -20.125 -6.991 1.00 0.00 H new ATOM 957 N ASP A 811 -1.667 -18.733 -6.811 1.00 0.00 N ATOM 958 CA ASP A 811 -2.793 -17.794 -6.958 1.00 0.00 C ATOM 959 C ASP A 811 -2.817 -16.756 -5.816 1.00 0.00 C ATOM 960 O ASP A 811 -2.136 -16.909 -4.796 1.00 0.00 O ATOM 961 CB ASP A 811 -4.104 -18.604 -7.005 1.00 0.00 C ATOM 962 CG ASP A 811 -5.289 -17.790 -7.537 1.00 0.00 C ATOM 963 OD1 ASP A 811 -5.354 -17.561 -8.767 1.00 0.00 O ATOM 964 OD2 ASP A 811 -6.130 -17.349 -6.722 1.00 0.00 O ATOM 0 H ASP A 811 -1.874 -19.492 -6.161 1.00 0.00 H new ATOM 0 HA ASP A 811 -2.676 -17.233 -7.885 1.00 0.00 H new ATOM 0 HB2 ASP A 811 -3.961 -19.482 -7.635 1.00 0.00 H new ATOM 0 HB3 ASP A 811 -4.338 -18.965 -6.004 1.00 0.00 H new ATOM 969 N ARG A 812 -3.638 -15.708 -5.976 1.00 0.00 N ATOM 970 CA ARG A 812 -3.833 -14.631 -4.990 1.00 0.00 C ATOM 971 C ARG A 812 -4.487 -15.093 -3.674 1.00 0.00 C ATOM 972 O ARG A 812 -4.450 -14.338 -2.700 1.00 0.00 O ATOM 973 CB ARG A 812 -4.616 -13.464 -5.633 1.00 0.00 C ATOM 974 CG ARG A 812 -6.048 -13.836 -6.046 1.00 0.00 C ATOM 975 CD ARG A 812 -6.813 -12.612 -6.561 1.00 0.00 C ATOM 976 NE ARG A 812 -8.192 -12.969 -6.934 1.00 0.00 N ATOM 977 CZ ARG A 812 -9.148 -12.136 -7.328 1.00 0.00 C ATOM 978 NH1 ARG A 812 -8.949 -10.837 -7.428 1.00 0.00 N ATOM 979 NH2 ARG A 812 -10.334 -12.615 -7.633 1.00 0.00 N ATOM 0 H ARG A 812 -4.201 -15.581 -6.817 1.00 0.00 H new ATOM 0 HA ARG A 812 -2.839 -14.288 -4.703 1.00 0.00 H new ATOM 0 HB2 ARG A 812 -4.654 -12.632 -4.929 1.00 0.00 H new ATOM 0 HB3 ARG A 812 -4.073 -13.114 -6.511 1.00 0.00 H new ATOM 0 HG2 ARG A 812 -6.018 -14.602 -6.821 1.00 0.00 H new ATOM 0 HG3 ARG A 812 -6.575 -14.265 -5.194 1.00 0.00 H new ATOM 0 HD2 ARG A 812 -6.829 -11.839 -5.793 1.00 0.00 H new ATOM 0 HD3 ARG A 812 -6.296 -12.193 -7.424 1.00 0.00 H new ATOM 0 HE ARG A 812 -8.438 -13.958 -6.885 1.00 0.00 H new ATOM 0 HH11 ARG A 812 -8.037 -10.442 -7.199 1.00 0.00 H new ATOM 0 HH12 ARG A 812 -9.707 -10.227 -7.734 1.00 0.00 H new ATOM 0 HH21 ARG A 812 -10.512 -13.617 -7.566 1.00 0.00 H new ATOM 0 HH22 ARG A 812 -11.076 -11.984 -7.937 1.00 0.00 H new ATOM 993 N LEU A 813 -5.063 -16.304 -3.622 1.00 0.00 N ATOM 994 CA LEU A 813 -5.646 -16.936 -2.428 1.00 0.00 C ATOM 995 C LEU A 813 -5.644 -18.478 -2.596 1.00 0.00 C ATOM 996 O LEU A 813 -5.944 -18.945 -3.701 1.00 0.00 O ATOM 997 CB LEU A 813 -7.081 -16.384 -2.230 1.00 0.00 C ATOM 998 CG LEU A 813 -7.706 -16.655 -0.841 1.00 0.00 C ATOM 999 CD1 LEU A 813 -7.055 -15.786 0.252 1.00 0.00 C ATOM 1000 CD2 LEU A 813 -9.208 -16.345 -0.881 1.00 0.00 C ATOM 0 H LEU A 813 -5.139 -16.896 -4.449 1.00 0.00 H new ATOM 0 HA LEU A 813 -5.055 -16.703 -1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -7.065 -15.307 -2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 813 -7.728 -16.818 -2.993 1.00 0.00 H new ATOM 0 HG LEU A 813 -7.536 -17.705 -0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 813 -7.519 -16.003 1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -5.989 -16.007 0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -7.196 -14.732 0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 813 -9.645 -16.537 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 813 -9.357 -15.298 -1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 813 -9.691 -16.979 -1.624 1.00 0.00 H new ATOM 1012 N PRO A 814 -5.314 -19.279 -1.561 1.00 0.00 N ATOM 1013 CA PRO A 814 -5.288 -20.739 -1.645 1.00 0.00 C ATOM 1014 C PRO A 814 -6.708 -21.317 -1.700 1.00 0.00 C ATOM 1015 O PRO A 814 -7.659 -20.709 -1.218 1.00 0.00 O ATOM 1016 CB PRO A 814 -4.521 -21.221 -0.405 1.00 0.00 C ATOM 1017 CG PRO A 814 -4.824 -20.126 0.612 1.00 0.00 C ATOM 1018 CD PRO A 814 -4.846 -18.869 -0.249 1.00 0.00 C ATOM 0 HA PRO A 814 -4.799 -21.078 -2.558 1.00 0.00 H new ATOM 0 HB2 PRO A 814 -4.868 -22.197 -0.067 1.00 0.00 H new ATOM 0 HB3 PRO A 814 -3.452 -21.312 -0.598 1.00 0.00 H new ATOM 0 HG2 PRO A 814 -5.778 -20.291 1.113 1.00 0.00 H new ATOM 0 HG3 PRO A 814 -4.061 -20.072 1.389 1.00 0.00 H new ATOM 0 HD2 PRO A 814 -5.506 -18.115 0.181 1.00 0.00 H new ATOM 0 HD3 PRO A 814 -3.853 -18.424 -0.312 1.00 0.00 H new ATOM 1026 N LYS A 815 -6.835 -22.509 -2.285 1.00 0.00 N ATOM 1027 CA LYS A 815 -8.118 -23.205 -2.497 1.00 0.00 C ATOM 1028 C LYS A 815 -8.559 -24.119 -1.332 1.00 0.00 C ATOM 1029 O LYS A 815 -9.701 -24.587 -1.299 1.00 0.00 O ATOM 1030 CB LYS A 815 -8.045 -23.961 -3.840 1.00 0.00 C ATOM 1031 CG LYS A 815 -7.285 -25.307 -3.862 1.00 0.00 C ATOM 1032 CD LYS A 815 -5.784 -25.246 -3.536 1.00 0.00 C ATOM 1033 CE LYS A 815 -5.157 -26.629 -3.754 1.00 0.00 C ATOM 1034 NZ LYS A 815 -3.712 -26.647 -3.404 1.00 0.00 N ATOM 0 H LYS A 815 -6.034 -23.035 -2.635 1.00 0.00 H new ATOM 0 HA LYS A 815 -8.902 -22.448 -2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 815 -9.065 -24.145 -4.178 1.00 0.00 H new ATOM 0 HB3 LYS A 815 -7.581 -23.301 -4.573 1.00 0.00 H new ATOM 0 HG2 LYS A 815 -7.763 -25.981 -3.151 1.00 0.00 H new ATOM 0 HG3 LYS A 815 -7.403 -25.751 -4.851 1.00 0.00 H new ATOM 0 HD2 LYS A 815 -5.293 -24.508 -4.170 1.00 0.00 H new ATOM 0 HD3 LYS A 815 -5.638 -24.927 -2.504 1.00 0.00 H new ATOM 0 HE2 LYS A 815 -5.686 -27.366 -3.149 1.00 0.00 H new ATOM 0 HE3 LYS A 815 -5.281 -26.923 -4.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 815 -3.451 -27.592 -3.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 815 -3.148 -26.420 -4.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 815 -3.526 -25.942 -2.663 1.00 0.00 H new ATOM 1048 N LYS A 816 -7.648 -24.404 -0.398 1.00 0.00 N ATOM 1049 CA LYS A 816 -7.773 -25.449 0.628 1.00 0.00 C ATOM 1050 C LYS A 816 -8.070 -24.900 2.040 1.00 0.00 C ATOM 1051 O LYS A 816 -7.745 -23.758 2.359 1.00 0.00 O ATOM 1052 CB LYS A 816 -6.519 -26.356 0.555 1.00 0.00 C ATOM 1053 CG LYS A 816 -5.131 -25.680 0.722 1.00 0.00 C ATOM 1054 CD LYS A 816 -4.661 -25.515 2.178 1.00 0.00 C ATOM 1055 CE LYS A 816 -4.280 -26.871 2.797 1.00 0.00 C ATOM 1056 NZ LYS A 816 -4.040 -26.754 4.255 1.00 0.00 N ATOM 0 H LYS A 816 -6.767 -23.894 -0.331 1.00 0.00 H new ATOM 0 HA LYS A 816 -8.655 -26.053 0.415 1.00 0.00 H new ATOM 0 HB2 LYS A 816 -6.614 -27.123 1.324 1.00 0.00 H new ATOM 0 HB3 LYS A 816 -6.530 -26.867 -0.408 1.00 0.00 H new ATOM 0 HG2 LYS A 816 -4.390 -26.268 0.181 1.00 0.00 H new ATOM 0 HG3 LYS A 816 -5.163 -24.697 0.252 1.00 0.00 H new ATOM 0 HD2 LYS A 816 -3.803 -24.843 2.212 1.00 0.00 H new ATOM 0 HD3 LYS A 816 -5.452 -25.052 2.768 1.00 0.00 H new ATOM 0 HE2 LYS A 816 -5.077 -27.592 2.615 1.00 0.00 H new ATOM 0 HE3 LYS A 816 -3.384 -27.256 2.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 816 -3.671 -27.656 4.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 816 -3.347 -25.999 4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 816 -4.933 -26.525 4.737 1.00 0.00 H new ATOM 1070 N HIS A 817 -8.672 -25.722 2.902 1.00 0.00 N ATOM 1071 CA HIS A 817 -8.960 -25.383 4.305 1.00 0.00 C ATOM 1072 C HIS A 817 -7.721 -25.576 5.209 1.00 0.00 C ATOM 1073 O HIS A 817 -6.749 -26.227 4.819 1.00 0.00 O ATOM 1074 CB HIS A 817 -10.147 -26.234 4.793 1.00 0.00 C ATOM 1075 CG HIS A 817 -11.472 -25.876 4.158 1.00 0.00 C ATOM 1076 ND1 HIS A 817 -11.943 -26.299 2.936 1.00 0.00 N ATOM 1077 CD2 HIS A 817 -12.444 -25.083 4.707 1.00 0.00 C ATOM 1078 CE1 HIS A 817 -13.159 -25.759 2.749 1.00 0.00 C ATOM 1079 NE2 HIS A 817 -13.516 -25.008 3.807 1.00 0.00 N ATOM 0 H HIS A 817 -8.980 -26.660 2.644 1.00 0.00 H new ATOM 0 HA HIS A 817 -9.223 -24.327 4.365 1.00 0.00 H new ATOM 0 HB2 HIS A 817 -9.933 -27.284 4.592 1.00 0.00 H new ATOM 0 HB3 HIS A 817 -10.235 -26.128 5.874 1.00 0.00 H new ATOM 0 HD2 HIS A 817 -12.393 -24.598 5.670 1.00 0.00 H new ATOM 0 HE1 HIS A 817 -13.767 -25.908 1.869 1.00 0.00 H new ATOM 0 HE2 HIS A 817 -14.387 -24.491 3.929 1.00 0.00 H new ATOM 1087 N CYS A 818 -7.745 -25.022 6.425 1.00 0.00 N ATOM 1088 CA CYS A 818 -6.669 -25.165 7.404 1.00 0.00 C ATOM 1089 C CYS A 818 -6.439 -26.633 7.810 1.00 0.00 C ATOM 1090 O CYS A 818 -7.373 -27.377 8.114 1.00 0.00 O ATOM 1091 CB CYS A 818 -7.001 -24.274 8.600 1.00 0.00 C ATOM 1092 SG CYS A 818 -5.657 -24.332 9.836 1.00 0.00 S ATOM 0 H CYS A 818 -8.524 -24.454 6.759 1.00 0.00 H new ATOM 0 HA CYS A 818 -5.725 -24.846 6.962 1.00 0.00 H new ATOM 0 HB2 CYS A 818 -7.151 -23.248 8.265 1.00 0.00 H new ATOM 0 HB3 CYS A 818 -7.936 -24.601 9.055 1.00 0.00 H new ATOM 1097 N SER A 819 -5.173 -27.043 7.843 1.00 0.00 N ATOM 1098 CA SER A 819 -4.747 -28.377 8.295 1.00 0.00 C ATOM 1099 C SER A 819 -4.844 -28.556 9.820 1.00 0.00 C ATOM 1100 O SER A 819 -4.807 -29.698 10.301 1.00 0.00 O ATOM 1101 CB SER A 819 -3.287 -28.626 7.870 1.00 0.00 C ATOM 1102 OG SER A 819 -3.086 -28.388 6.480 1.00 0.00 O ATOM 0 H SER A 819 -4.395 -26.450 7.552 1.00 0.00 H new ATOM 0 HA SER A 819 -5.425 -29.093 7.830 1.00 0.00 H new ATOM 0 HB2 SER A 819 -2.626 -27.979 8.447 1.00 0.00 H new ATOM 0 HB3 SER A 819 -3.012 -29.654 8.105 1.00 0.00 H new ATOM 0 HG SER A 819 -2.148 -28.555 6.252 1.00 0.00 H new ATOM 1108 N THR A 820 -4.947 -27.454 10.584 1.00 0.00 N ATOM 1109 CA THR A 820 -4.792 -27.425 12.047 1.00 0.00 C ATOM 1110 C THR A 820 -6.124 -27.208 12.765 1.00 0.00 C ATOM 1111 O THR A 820 -6.359 -27.882 13.770 1.00 0.00 O ATOM 1112 CB THR A 820 -3.751 -26.357 12.423 1.00 0.00 C ATOM 1113 OG1 THR A 820 -2.525 -26.747 11.833 1.00 0.00 O ATOM 1114 CG2 THR A 820 -3.512 -26.240 13.928 1.00 0.00 C ATOM 0 H THR A 820 -5.146 -26.535 10.189 1.00 0.00 H new ATOM 0 HA THR A 820 -4.434 -28.399 12.381 1.00 0.00 H new ATOM 0 HB THR A 820 -4.124 -25.394 12.074 1.00 0.00 H new ATOM 0 HG1 THR A 820 -1.833 -26.087 12.049 1.00 0.00 H new ATOM 0 HG21 THR A 820 -2.766 -25.468 14.119 1.00 0.00 H new ATOM 0 HG22 THR A 820 -4.445 -25.974 14.425 1.00 0.00 H new ATOM 0 HG23 THR A 820 -3.154 -27.194 14.315 1.00 0.00 H new ATOM 1122 N CYS A 821 -7.006 -26.326 12.261 1.00 0.00 N ATOM 1123 CA CYS A 821 -8.318 -26.029 12.863 1.00 0.00 C ATOM 1124 C CYS A 821 -9.539 -26.204 11.926 1.00 0.00 C ATOM 1125 O CYS A 821 -10.680 -26.262 12.401 1.00 0.00 O ATOM 1126 CB CYS A 821 -8.270 -24.639 13.524 1.00 0.00 C ATOM 1127 SG CYS A 821 -8.203 -23.258 12.336 1.00 0.00 S ATOM 0 H CYS A 821 -6.824 -25.792 11.411 1.00 0.00 H new ATOM 0 HA CYS A 821 -8.491 -26.793 13.621 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -9.149 -24.518 14.157 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -7.398 -24.587 14.176 1.00 0.00 H new ATOM 1132 N GLY A 822 -9.319 -26.375 10.617 1.00 0.00 N ATOM 1133 CA GLY A 822 -10.307 -26.885 9.649 1.00 0.00 C ATOM 1134 C GLY A 822 -11.170 -25.840 8.945 1.00 0.00 C ATOM 1135 O GLY A 822 -11.911 -26.195 8.028 1.00 0.00 O ATOM 0 H GLY A 822 -8.421 -26.156 10.185 1.00 0.00 H new ATOM 0 HA2 GLY A 822 -9.776 -27.458 8.889 1.00 0.00 H new ATOM 0 HA3 GLY A 822 -10.967 -27.580 10.168 1.00 0.00 H new ATOM 1139 N LEU A 823 -11.088 -24.564 9.340 1.00 0.00 N ATOM 1140 CA LEU A 823 -11.837 -23.457 8.720 1.00 0.00 C ATOM 1141 C LEU A 823 -11.091 -22.835 7.515 1.00 0.00 C ATOM 1142 O LEU A 823 -10.059 -23.347 7.067 1.00 0.00 O ATOM 1143 CB LEU A 823 -12.272 -22.452 9.811 1.00 0.00 C ATOM 1144 CG LEU A 823 -11.185 -21.851 10.731 1.00 0.00 C ATOM 1145 CD1 LEU A 823 -10.029 -21.184 9.982 1.00 0.00 C ATOM 1146 CD2 LEU A 823 -11.839 -20.819 11.666 1.00 0.00 C ATOM 0 H LEU A 823 -10.491 -24.264 10.111 1.00 0.00 H new ATOM 0 HA LEU A 823 -12.751 -23.845 8.271 1.00 0.00 H new ATOM 0 HB2 LEU A 823 -12.783 -21.626 9.317 1.00 0.00 H new ATOM 0 HB3 LEU A 823 -13.007 -22.948 10.445 1.00 0.00 H new ATOM 0 HG LEU A 823 -10.752 -22.684 11.285 1.00 0.00 H new ATOM 0 HD11 LEU A 823 -9.310 -20.788 10.700 1.00 0.00 H new ATOM 0 HD12 LEU A 823 -9.537 -21.918 9.343 1.00 0.00 H new ATOM 0 HD13 LEU A 823 -10.415 -20.370 9.368 1.00 0.00 H new ATOM 0 HD21 LEU A 823 -11.081 -20.388 12.320 1.00 0.00 H new ATOM 0 HD22 LEU A 823 -12.297 -20.028 11.072 1.00 0.00 H new ATOM 0 HD23 LEU A 823 -12.603 -21.308 12.270 1.00 0.00 H new ATOM 1158 N PHE A 824 -11.629 -21.737 6.979 1.00 0.00 N ATOM 1159 CA PHE A 824 -11.050 -20.963 5.880 1.00 0.00 C ATOM 1160 C PHE A 824 -10.999 -19.471 6.263 1.00 0.00 C ATOM 1161 O PHE A 824 -11.990 -18.748 6.148 1.00 0.00 O ATOM 1162 CB PHE A 824 -11.871 -21.225 4.607 1.00 0.00 C ATOM 1163 CG PHE A 824 -11.235 -20.677 3.344 1.00 0.00 C ATOM 1164 CD1 PHE A 824 -10.345 -21.481 2.608 1.00 0.00 C ATOM 1165 CD2 PHE A 824 -11.542 -19.378 2.893 1.00 0.00 C ATOM 1166 CE1 PHE A 824 -9.775 -20.991 1.421 1.00 0.00 C ATOM 1167 CE2 PHE A 824 -10.965 -18.888 1.707 1.00 0.00 C ATOM 1168 CZ PHE A 824 -10.084 -19.696 0.971 1.00 0.00 C ATOM 0 H PHE A 824 -12.512 -21.349 7.311 1.00 0.00 H new ATOM 0 HA PHE A 824 -10.023 -21.271 5.684 1.00 0.00 H new ATOM 0 HB2 PHE A 824 -12.015 -22.300 4.493 1.00 0.00 H new ATOM 0 HB3 PHE A 824 -12.860 -20.782 4.726 1.00 0.00 H new ATOM 0 HD1 PHE A 824 -10.100 -22.474 2.955 1.00 0.00 H new ATOM 0 HD2 PHE A 824 -12.221 -18.757 3.459 1.00 0.00 H new ATOM 0 HE1 PHE A 824 -9.098 -21.611 0.853 1.00 0.00 H new ATOM 0 HE2 PHE A 824 -11.200 -17.891 1.363 1.00 0.00 H new ATOM 0 HZ PHE A 824 -9.643 -19.322 0.059 1.00 0.00 H new ATOM 1178 N LYS A 825 -9.831 -19.014 6.740 1.00 0.00 N ATOM 1179 CA LYS A 825 -9.572 -17.639 7.221 1.00 0.00 C ATOM 1180 C LYS A 825 -8.160 -17.132 6.818 1.00 0.00 C ATOM 1181 O LYS A 825 -7.532 -16.348 7.535 1.00 0.00 O ATOM 1182 CB LYS A 825 -9.815 -17.549 8.749 1.00 0.00 C ATOM 1183 CG LYS A 825 -11.272 -17.701 9.218 1.00 0.00 C ATOM 1184 CD LYS A 825 -12.167 -16.527 8.784 1.00 0.00 C ATOM 1185 CE LYS A 825 -13.582 -16.735 9.338 1.00 0.00 C ATOM 1186 NZ LYS A 825 -14.496 -15.637 8.940 1.00 0.00 N ATOM 0 H LYS A 825 -9.007 -19.611 6.806 1.00 0.00 H new ATOM 0 HA LYS A 825 -10.279 -16.971 6.729 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -9.217 -18.319 9.236 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -9.442 -16.586 9.099 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -11.681 -18.630 8.820 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -11.292 -17.784 10.305 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -11.755 -15.587 9.150 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -12.196 -16.460 7.696 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -13.977 -17.685 8.979 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -13.541 -16.798 10.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -15.442 -15.813 9.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -14.132 -14.733 9.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -14.555 -15.593 7.903 1.00 0.00 H new ATOM 1200 N TRP A 826 -7.639 -17.596 5.677 1.00 0.00 N ATOM 1201 CA TRP A 826 -6.315 -17.233 5.173 1.00 0.00 C ATOM 1202 C TRP A 826 -6.155 -15.726 4.915 1.00 0.00 C ATOM 1203 O TRP A 826 -6.984 -15.101 4.248 1.00 0.00 O ATOM 1204 CB TRP A 826 -6.017 -18.018 3.886 1.00 0.00 C ATOM 1205 CG TRP A 826 -5.968 -19.503 4.051 1.00 0.00 C ATOM 1206 CD1 TRP A 826 -6.840 -20.382 3.513 1.00 0.00 C ATOM 1207 CD2 TRP A 826 -4.997 -20.311 4.783 1.00 0.00 C ATOM 1208 NE1 TRP A 826 -6.456 -21.669 3.820 1.00 0.00 N ATOM 1209 CE2 TRP A 826 -5.342 -21.687 4.628 1.00 0.00 C ATOM 1210 CE3 TRP A 826 -3.857 -20.018 5.565 1.00 0.00 C ATOM 1211 CZ2 TRP A 826 -4.602 -22.716 5.228 1.00 0.00 C ATOM 1212 CZ3 TRP A 826 -3.117 -21.042 6.186 1.00 0.00 C ATOM 1213 CH2 TRP A 826 -3.486 -22.388 6.018 1.00 0.00 C ATOM 0 H TRP A 826 -8.137 -18.246 5.069 1.00 0.00 H new ATOM 0 HA TRP A 826 -5.599 -17.494 5.952 1.00 0.00 H new ATOM 0 HB2 TRP A 826 -6.778 -17.774 3.145 1.00 0.00 H new ATOM 0 HB3 TRP A 826 -5.062 -17.680 3.485 1.00 0.00 H new ATOM 0 HD1 TRP A 826 -7.709 -20.116 2.929 1.00 0.00 H new ATOM 0 HE1 TRP A 826 -6.938 -22.505 3.489 1.00 0.00 H new ATOM 0 HE3 TRP A 826 -3.548 -18.991 5.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 826 -4.886 -23.748 5.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 826 -2.261 -20.792 6.795 1.00 0.00 H new ATOM 0 HH2 TRP A 826 -2.913 -23.169 6.495 1.00 0.00 H new ATOM 1224 N GLU A 827 -5.045 -15.170 5.393 1.00 0.00 N ATOM 1225 CA GLU A 827 -4.561 -13.826 5.105 1.00 0.00 C ATOM 1226 C GLU A 827 -3.286 -13.921 4.260 1.00 0.00 C ATOM 1227 O GLU A 827 -2.391 -14.709 4.578 1.00 0.00 O ATOM 1228 CB GLU A 827 -4.269 -13.118 6.438 1.00 0.00 C ATOM 1229 CG GLU A 827 -3.845 -11.650 6.304 1.00 0.00 C ATOM 1230 CD GLU A 827 -4.959 -10.774 5.712 1.00 0.00 C ATOM 1231 OE1 GLU A 827 -5.032 -10.632 4.469 1.00 0.00 O ATOM 1232 OE2 GLU A 827 -5.772 -10.213 6.488 1.00 0.00 O ATOM 0 H GLU A 827 -4.426 -15.675 6.027 1.00 0.00 H new ATOM 0 HA GLU A 827 -5.308 -13.259 4.549 1.00 0.00 H new ATOM 0 HB2 GLU A 827 -5.160 -13.169 7.064 1.00 0.00 H new ATOM 0 HB3 GLU A 827 -3.482 -13.663 6.959 1.00 0.00 H new ATOM 0 HG2 GLU A 827 -3.564 -11.264 7.284 1.00 0.00 H new ATOM 0 HG3 GLU A 827 -2.960 -11.586 5.671 1.00 0.00 H new ATOM 1239 N ARG A 828 -3.186 -13.118 3.199 1.00 0.00 N ATOM 1240 CA ARG A 828 -1.987 -13.069 2.352 1.00 0.00 C ATOM 1241 C ARG A 828 -0.859 -12.316 3.066 1.00 0.00 C ATOM 1242 O ARG A 828 -1.054 -11.206 3.565 1.00 0.00 O ATOM 1243 CB ARG A 828 -2.327 -12.473 0.977 1.00 0.00 C ATOM 1244 CG ARG A 828 -1.191 -12.667 -0.040 1.00 0.00 C ATOM 1245 CD ARG A 828 -1.636 -12.431 -1.492 1.00 0.00 C ATOM 1246 NE ARG A 828 -2.131 -11.052 -1.700 1.00 0.00 N ATOM 1247 CZ ARG A 828 -3.385 -10.668 -1.919 1.00 0.00 C ATOM 1248 NH1 ARG A 828 -4.385 -11.515 -2.040 1.00 0.00 N ATOM 1249 NH2 ARG A 828 -3.651 -9.384 -2.020 1.00 0.00 N ATOM 0 H ARG A 828 -3.929 -12.485 2.902 1.00 0.00 H new ATOM 0 HA ARG A 828 -1.626 -14.082 2.175 1.00 0.00 H new ATOM 0 HB2 ARG A 828 -3.236 -12.939 0.596 1.00 0.00 H new ATOM 0 HB3 ARG A 828 -2.536 -11.409 1.086 1.00 0.00 H new ATOM 0 HG2 ARG A 828 -0.376 -11.984 0.200 1.00 0.00 H new ATOM 0 HG3 ARG A 828 -0.797 -13.679 0.053 1.00 0.00 H new ATOM 0 HD2 ARG A 828 -0.799 -12.622 -2.164 1.00 0.00 H new ATOM 0 HD3 ARG A 828 -2.421 -13.141 -1.751 1.00 0.00 H new ATOM 0 HE ARG A 828 -1.430 -10.311 -1.672 1.00 0.00 H new ATOM 0 HH11 ARG A 828 -4.215 -12.518 -1.966 1.00 0.00 H new ATOM 0 HH12 ARG A 828 -5.330 -11.168 -2.208 1.00 0.00 H new ATOM 0 HH21 ARG A 828 -2.900 -8.699 -1.930 1.00 0.00 H new ATOM 0 HH22 ARG A 828 -4.608 -9.073 -2.188 1.00 0.00 H new ATOM 1263 N VAL A 829 0.320 -12.928 3.118 1.00 0.00 N ATOM 1264 CA VAL A 829 1.533 -12.426 3.792 1.00 0.00 C ATOM 1265 C VAL A 829 2.758 -12.566 2.871 1.00 0.00 C ATOM 1266 O VAL A 829 2.647 -13.086 1.758 1.00 0.00 O ATOM 1267 CB VAL A 829 1.770 -13.122 5.161 1.00 0.00 C ATOM 1268 CG1 VAL A 829 0.615 -12.891 6.149 1.00 0.00 C ATOM 1269 CG2 VAL A 829 2.016 -14.638 5.039 1.00 0.00 C ATOM 0 H VAL A 829 0.473 -13.833 2.672 1.00 0.00 H new ATOM 0 HA VAL A 829 1.381 -11.367 4.002 1.00 0.00 H new ATOM 0 HB VAL A 829 2.675 -12.653 5.547 1.00 0.00 H new ATOM 0 HG11 VAL A 829 0.833 -13.399 7.088 1.00 0.00 H new ATOM 0 HG12 VAL A 829 0.501 -11.823 6.332 1.00 0.00 H new ATOM 0 HG13 VAL A 829 -0.309 -13.287 5.728 1.00 0.00 H new ATOM 0 HG21 VAL A 829 2.174 -15.062 6.031 1.00 0.00 H new ATOM 0 HG22 VAL A 829 1.150 -15.111 4.576 1.00 0.00 H new ATOM 0 HG23 VAL A 829 2.898 -14.815 4.424 1.00 0.00 H new ATOM 1279 N GLY A 830 3.927 -12.097 3.327 1.00 0.00 N ATOM 1280 CA GLY A 830 5.204 -12.220 2.617 1.00 0.00 C ATOM 1281 C GLY A 830 6.180 -13.212 3.258 1.00 0.00 C ATOM 1282 O GLY A 830 5.951 -13.701 4.360 1.00 0.00 O ATOM 0 H GLY A 830 4.011 -11.611 4.220 1.00 0.00 H new ATOM 0 HA2 GLY A 830 5.009 -12.530 1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 830 5.678 -11.239 2.569 1.00 0.00 H new ATOM 1286 N MET A 831 7.309 -13.446 2.571 1.00 0.00 N ATOM 1287 CA MET A 831 8.494 -14.154 3.078 1.00 0.00 C ATOM 1288 C MET A 831 9.735 -13.981 2.201 1.00 0.00 C ATOM 1289 O MET A 831 9.685 -14.190 0.990 1.00 0.00 O ATOM 1290 CB MET A 831 8.223 -15.628 3.433 1.00 0.00 C ATOM 1291 CG MET A 831 9.484 -16.457 3.688 1.00 0.00 C ATOM 1292 SD MET A 831 9.176 -18.185 4.108 1.00 0.00 S ATOM 1293 CE MET A 831 10.869 -18.784 3.866 1.00 0.00 C ATOM 0 H MET A 831 7.426 -13.134 1.607 1.00 0.00 H new ATOM 0 HA MET A 831 8.727 -13.658 4.020 1.00 0.00 H new ATOM 0 HB2 MET A 831 7.592 -15.665 4.321 1.00 0.00 H new ATOM 0 HB3 MET A 831 7.659 -16.087 2.621 1.00 0.00 H new ATOM 0 HG2 MET A 831 10.113 -16.420 2.799 1.00 0.00 H new ATOM 0 HG3 MET A 831 10.049 -15.995 4.498 1.00 0.00 H new ATOM 0 HE1 MET A 831 10.910 -19.853 4.076 1.00 0.00 H new ATOM 0 HE2 MET A 831 11.175 -18.605 2.835 1.00 0.00 H new ATOM 0 HE3 MET A 831 11.542 -18.255 4.541 1.00 0.00 H new ATOM 1303 N LEU A 832 10.867 -13.679 2.847 1.00 0.00 N ATOM 1304 CA LEU A 832 12.185 -13.448 2.253 1.00 0.00 C ATOM 1305 C LEU A 832 13.295 -13.728 3.289 1.00 0.00 C ATOM 1306 O LEU A 832 13.014 -14.172 4.406 1.00 0.00 O ATOM 1307 CB LEU A 832 12.215 -12.000 1.697 1.00 0.00 C ATOM 1308 CG LEU A 832 12.595 -11.907 0.203 1.00 0.00 C ATOM 1309 CD1 LEU A 832 11.577 -12.610 -0.700 1.00 0.00 C ATOM 1310 CD2 LEU A 832 12.698 -10.421 -0.185 1.00 0.00 C ATOM 0 H LEU A 832 10.886 -13.584 3.862 1.00 0.00 H new ATOM 0 HA LEU A 832 12.372 -14.133 1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 832 11.234 -11.547 1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 832 12.926 -11.413 2.279 1.00 0.00 H new ATOM 0 HG LEU A 832 13.550 -12.412 0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 832 11.888 -12.517 -1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 832 11.520 -13.665 -0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 832 10.598 -12.149 -0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 832 12.966 -10.338 -1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 832 11.738 -9.933 -0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 832 13.463 -9.938 0.423 1.00 0.00 H new ATOM 1322 N LYS A 833 14.563 -13.477 2.941 1.00 0.00 N ATOM 1323 CA LYS A 833 15.728 -13.835 3.777 1.00 0.00 C ATOM 1324 C LYS A 833 15.855 -13.099 5.127 1.00 0.00 C ATOM 1325 O LYS A 833 16.609 -13.519 6.011 1.00 0.00 O ATOM 1326 CB LYS A 833 17.015 -13.656 2.940 1.00 0.00 C ATOM 1327 CG LYS A 833 17.432 -12.179 2.764 1.00 0.00 C ATOM 1328 CD LYS A 833 18.719 -12.038 1.942 1.00 0.00 C ATOM 1329 CE LYS A 833 19.202 -10.582 1.864 1.00 0.00 C ATOM 1330 NZ LYS A 833 19.734 -10.078 3.161 1.00 0.00 N ATOM 0 H LYS A 833 14.817 -13.017 2.067 1.00 0.00 H new ATOM 0 HA LYS A 833 15.570 -14.874 4.066 1.00 0.00 H new ATOM 0 HB2 LYS A 833 17.829 -14.201 3.418 1.00 0.00 H new ATOM 0 HB3 LYS A 833 16.866 -14.103 1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 833 16.627 -11.631 2.274 1.00 0.00 H new ATOM 0 HG3 LYS A 833 17.576 -11.724 3.744 1.00 0.00 H new ATOM 0 HD2 LYS A 833 19.501 -12.655 2.386 1.00 0.00 H new ATOM 0 HD3 LYS A 833 18.548 -12.416 0.934 1.00 0.00 H new ATOM 0 HE2 LYS A 833 19.978 -10.502 1.103 1.00 0.00 H new ATOM 0 HE3 LYS A 833 18.376 -9.947 1.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 833 20.340 -9.250 2.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 833 18.943 -9.806 3.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 833 20.291 -10.826 3.622 1.00 0.00 H new ATOM 1344 N GLU A 834 15.176 -11.968 5.238 1.00 0.00 N ATOM 1345 CA GLU A 834 15.461 -10.894 6.191 1.00 0.00 C ATOM 1346 C GLU A 834 14.447 -10.871 7.341 1.00 0.00 C ATOM 1347 O GLU A 834 13.232 -10.866 7.124 1.00 0.00 O ATOM 1348 CB GLU A 834 15.477 -9.555 5.421 1.00 0.00 C ATOM 1349 CG GLU A 834 16.177 -8.412 6.167 1.00 0.00 C ATOM 1350 CD GLU A 834 17.669 -8.676 6.412 1.00 0.00 C ATOM 1351 OE1 GLU A 834 18.367 -9.143 5.476 1.00 0.00 O ATOM 1352 OE2 GLU A 834 18.143 -8.410 7.543 1.00 0.00 O ATOM 0 H GLU A 834 14.375 -11.759 4.642 1.00 0.00 H new ATOM 0 HA GLU A 834 16.434 -11.065 6.651 1.00 0.00 H new ATOM 0 HB2 GLU A 834 15.972 -9.706 4.462 1.00 0.00 H new ATOM 0 HB3 GLU A 834 14.450 -9.259 5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 834 16.067 -7.491 5.594 1.00 0.00 H new ATOM 0 HG3 GLU A 834 15.680 -8.253 7.124 1.00 0.00 H new ATOM 1359 N LYS A 835 14.946 -10.823 8.578 1.00 0.00 N ATOM 1360 CA LYS A 835 14.135 -10.627 9.789 1.00 0.00 C ATOM 1361 C LYS A 835 13.494 -9.224 9.876 1.00 0.00 C ATOM 1362 O LYS A 835 13.968 -8.264 9.258 1.00 0.00 O ATOM 1363 CB LYS A 835 14.956 -10.982 11.050 1.00 0.00 C ATOM 1364 CG LYS A 835 16.447 -10.600 11.094 1.00 0.00 C ATOM 1365 CD LYS A 835 16.770 -9.126 10.823 1.00 0.00 C ATOM 1366 CE LYS A 835 18.286 -8.918 10.944 1.00 0.00 C ATOM 1367 NZ LYS A 835 18.722 -7.686 10.256 1.00 0.00 N ATOM 0 H LYS A 835 15.942 -10.921 8.773 1.00 0.00 H new ATOM 0 HA LYS A 835 13.292 -11.315 9.728 1.00 0.00 H new ATOM 0 HB2 LYS A 835 14.469 -10.512 11.904 1.00 0.00 H new ATOM 0 HB3 LYS A 835 14.887 -12.060 11.197 1.00 0.00 H new ATOM 0 HG2 LYS A 835 16.841 -10.863 12.076 1.00 0.00 H new ATOM 0 HG3 LYS A 835 16.980 -11.209 10.363 1.00 0.00 H new ATOM 0 HD2 LYS A 835 16.429 -8.842 9.827 1.00 0.00 H new ATOM 0 HD3 LYS A 835 16.244 -8.488 11.534 1.00 0.00 H new ATOM 0 HE2 LYS A 835 18.564 -8.865 11.997 1.00 0.00 H new ATOM 0 HE3 LYS A 835 18.807 -9.776 10.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 835 19.755 -7.595 10.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 835 18.448 -7.733 9.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 835 18.270 -6.862 10.700 1.00 0.00 H new ATOM 1381 N THR A 836 12.420 -9.110 10.666 1.00 0.00 N ATOM 1382 CA THR A 836 11.762 -7.840 11.030 1.00 0.00 C ATOM 1383 C THR A 836 12.607 -7.059 12.042 1.00 0.00 C ATOM 1384 O THR A 836 13.577 -7.582 12.603 1.00 0.00 O ATOM 1385 CB THR A 836 10.342 -8.090 11.565 1.00 0.00 C ATOM 1386 OG1 THR A 836 10.384 -9.056 12.599 1.00 0.00 O ATOM 1387 CG2 THR A 836 9.419 -8.609 10.459 1.00 0.00 C ATOM 0 H THR A 836 11.967 -9.922 11.085 1.00 0.00 H new ATOM 0 HA THR A 836 11.675 -7.233 10.129 1.00 0.00 H new ATOM 0 HB THR A 836 9.956 -7.142 11.940 1.00 0.00 H new ATOM 0 HG1 THR A 836 9.478 -9.211 12.939 1.00 0.00 H new ATOM 0 HG21 THR A 836 8.422 -8.777 10.866 1.00 0.00 H new ATOM 0 HG22 THR A 836 9.364 -7.874 9.656 1.00 0.00 H new ATOM 0 HG23 THR A 836 9.813 -9.546 10.066 1.00 0.00 H new ATOM 1395 N GLY A 837 12.262 -5.788 12.261 1.00 0.00 N ATOM 1396 CA GLY A 837 13.014 -4.875 13.133 1.00 0.00 C ATOM 1397 C GLY A 837 14.218 -4.235 12.415 1.00 0.00 C ATOM 1398 O GLY A 837 14.108 -3.945 11.214 1.00 0.00 O ATOM 0 H GLY A 837 11.443 -5.356 11.834 1.00 0.00 H new ATOM 0 HA2 GLY A 837 12.349 -4.089 13.492 1.00 0.00 H new ATOM 0 HA3 GLY A 837 13.365 -5.420 14.009 1.00 0.00 H new ATOM 1402 N PRO A 838 15.340 -3.973 13.124 1.00 0.00 N ATOM 1403 CA PRO A 838 16.541 -3.348 12.562 1.00 0.00 C ATOM 1404 C PRO A 838 17.099 -4.088 11.343 1.00 0.00 C ATOM 1405 O PRO A 838 17.229 -5.314 11.339 1.00 0.00 O ATOM 1406 CB PRO A 838 17.569 -3.307 13.703 1.00 0.00 C ATOM 1407 CG PRO A 838 16.691 -3.268 14.953 1.00 0.00 C ATOM 1408 CD PRO A 838 15.505 -4.147 14.561 1.00 0.00 C ATOM 0 HA PRO A 838 16.299 -2.352 12.190 1.00 0.00 H new ATOM 0 HB2 PRO A 838 18.219 -4.182 13.693 1.00 0.00 H new ATOM 0 HB3 PRO A 838 18.214 -2.431 13.635 1.00 0.00 H new ATOM 0 HG2 PRO A 838 17.213 -3.659 15.826 1.00 0.00 H new ATOM 0 HG3 PRO A 838 16.379 -2.252 15.196 1.00 0.00 H new ATOM 0 HD2 PRO A 838 15.693 -5.191 14.809 1.00 0.00 H new ATOM 0 HD3 PRO A 838 14.604 -3.849 15.097 1.00 0.00 H new ATOM 1416 N LYS A 839 17.473 -3.326 10.308 1.00 0.00 N ATOM 1417 CA LYS A 839 18.120 -3.856 9.094 1.00 0.00 C ATOM 1418 C LYS A 839 19.595 -4.247 9.341 1.00 0.00 C ATOM 1419 O LYS A 839 20.116 -5.159 8.692 1.00 0.00 O ATOM 1420 CB LYS A 839 17.961 -2.803 7.978 1.00 0.00 C ATOM 1421 CG LYS A 839 18.336 -3.352 6.593 1.00 0.00 C ATOM 1422 CD LYS A 839 18.073 -2.313 5.498 1.00 0.00 C ATOM 1423 CE LYS A 839 18.442 -2.894 4.128 1.00 0.00 C ATOM 1424 NZ LYS A 839 18.208 -1.927 3.027 1.00 0.00 N ATOM 0 H LYS A 839 17.335 -2.316 10.286 1.00 0.00 H new ATOM 0 HA LYS A 839 17.636 -4.783 8.789 1.00 0.00 H new ATOM 0 HB2 LYS A 839 16.929 -2.452 7.959 1.00 0.00 H new ATOM 0 HB3 LYS A 839 18.587 -1.940 8.205 1.00 0.00 H new ATOM 0 HG2 LYS A 839 19.388 -3.636 6.584 1.00 0.00 H new ATOM 0 HG3 LYS A 839 17.760 -4.255 6.388 1.00 0.00 H new ATOM 0 HD2 LYS A 839 17.023 -2.020 5.508 1.00 0.00 H new ATOM 0 HD3 LYS A 839 18.657 -1.413 5.690 1.00 0.00 H new ATOM 0 HE2 LYS A 839 19.491 -3.191 4.132 1.00 0.00 H new ATOM 0 HE3 LYS A 839 17.856 -3.796 3.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 839 18.407 -2.385 2.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 839 17.217 -1.611 3.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 839 18.836 -1.106 3.146 1.00 0.00 H new ATOM 1438 N LEU A 840 20.246 -3.605 10.323 1.00 0.00 N ATOM 1439 CA LEU A 840 21.609 -3.903 10.785 1.00 0.00 C ATOM 1440 C LEU A 840 21.697 -5.315 11.402 1.00 0.00 C ATOM 1441 O LEU A 840 20.728 -5.813 11.986 1.00 0.00 O ATOM 1442 CB LEU A 840 22.024 -2.799 11.780 1.00 0.00 C ATOM 1443 CG LEU A 840 23.484 -2.843 12.271 1.00 0.00 C ATOM 1444 CD1 LEU A 840 24.500 -2.688 11.123 1.00 0.00 C ATOM 1445 CD2 LEU A 840 23.706 -1.725 13.302 1.00 0.00 C ATOM 0 H LEU A 840 19.820 -2.834 10.837 1.00 0.00 H new ATOM 0 HA LEU A 840 22.302 -3.907 9.944 1.00 0.00 H new ATOM 0 HB2 LEU A 840 21.849 -1.831 11.311 1.00 0.00 H new ATOM 0 HB3 LEU A 840 21.368 -2.856 12.649 1.00 0.00 H new ATOM 0 HG LEU A 840 23.648 -3.822 12.720 1.00 0.00 H new ATOM 0 HD11 LEU A 840 25.512 -2.726 11.525 1.00 0.00 H new ATOM 0 HD12 LEU A 840 24.364 -3.497 10.405 1.00 0.00 H new ATOM 0 HD13 LEU A 840 24.343 -1.731 10.625 1.00 0.00 H new ATOM 0 HD21 LEU A 840 24.738 -1.753 13.652 1.00 0.00 H new ATOM 0 HD22 LEU A 840 23.505 -0.759 12.840 1.00 0.00 H new ATOM 0 HD23 LEU A 840 23.032 -1.870 14.147 1.00 0.00 H new ATOM 1457 N GLY A 841 22.861 -5.962 11.260 1.00 0.00 N ATOM 1458 CA GLY A 841 23.134 -7.309 11.780 1.00 0.00 C ATOM 1459 C GLY A 841 22.650 -8.424 10.844 1.00 0.00 C ATOM 1460 O GLY A 841 21.605 -8.304 10.200 1.00 0.00 O ATOM 0 H GLY A 841 23.657 -5.555 10.769 1.00 0.00 H new ATOM 0 HA2 GLY A 841 24.206 -7.419 11.943 1.00 0.00 H new ATOM 0 HA3 GLY A 841 22.651 -7.422 12.751 1.00 0.00 H new ATOM 1464 N GLY A 842 23.403 -9.527 10.799 1.00 0.00 N ATOM 1465 CA GLY A 842 23.116 -10.739 10.008 1.00 0.00 C ATOM 1466 C GLY A 842 24.271 -11.743 10.043 1.00 0.00 C ATOM 1467 O GLY A 842 24.554 -12.283 11.134 1.00 0.00 O ATOM 1468 OXT GLY A 842 24.892 -11.965 8.982 1.00 0.00 O ATOM 0 H GLY A 842 24.268 -9.608 11.334 1.00 0.00 H new ATOM 0 HA2 GLY A 842 22.213 -11.214 10.391 1.00 0.00 H new ATOM 0 HA3 GLY A 842 22.914 -10.456 8.975 1.00 0.00 H new TER 1472 GLY A 842 HETATM 1473 ZN ZN A 843 -2.393 -35.466 -11.262 1.00 0.00 ZN HETATM 1474 ZN ZN A 844 -6.122 -22.524 11.359 1.00 0.00 ZN