USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=22 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= 1.4 K(o=1.4,f=-1.9) USER MOD Set 1.2: A 820 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 807 THR OG1 : rot 106:sc= 0.0805 USER MOD Set 2.2: A 816 LYS NZ :NH3+ -178:sc= 0.0438 (180deg=0) USER MOD Set 3.1: A 763 CYS SG : rot 25:sc= 0.254 USER MOD Set 3.2: A 796 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 767 THR OG1 : rot 78:sc= 1.22 USER MOD Set 4.2: A 774 THR OG1 : rot -80:sc= 0.65 USER MOD Set 4.3: A 792 HIS : no HE2:sc= 0.412 K(o=2.3,f=-0.041) USER MOD Single : A -2 MET CE :methyl 174:sc= 0 (180deg=-0.0463) USER MOD Single : A -4 GLY N :NH3+ -106:sc= 0.0603 (180deg=0) USER MOD Single : A 755 MET CE :methyl -175:sc= 0 (180deg=-0.0292) USER MOD Single : A 756 GLN : amide:sc= 0.473 X(o=0.47,f=-0.0078) USER MOD Single : A 757 SER OG : rot 180:sc= 0 USER MOD Single : A 761 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 762 SER OG : 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 180:sc= 0 USER MOD Single : A 772 LYS NZ :NH3+ 174:sc= 1.28 (180deg=1.26) USER MOD Single : A 773 TYR OH : rot -173:sc= 1.74 USER MOD Single : A 775 HIS : no HE2:sc= 0.324 K(o=0.32,f=-1.2) 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= -0.0179 USER MOD Single : A 784 SER OG : rot 180:sc= 0 USER MOD Single : A 786 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 790 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 793 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 800 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 809 SER OG : rot 180:sc= 0.142 USER MOD Single : A 815 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 817 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 819 SER OG : rot 180:sc= 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+ 175:sc= 1.14 (180deg=1.09) USER MOD Single : A 835 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 836 THR OG1 : rot 180:sc= 0.0209 USER MOD Single : A 839 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 24.657 -6.393 -1.518 1.00 0.00 N ATOM 2 CA GLY A -4 23.265 -6.901 -1.439 1.00 0.00 C ATOM 3 C GLY A -4 22.294 -5.861 -0.879 1.00 0.00 C ATOM 4 O GLY A -4 22.738 -4.882 -0.261 1.00 0.00 O ATOM 0 H1 GLY A -4 24.899 -6.195 -2.510 1.00 0.00 H new ATOM 0 H2 GLY A -4 24.740 -5.519 -0.961 1.00 0.00 H new ATOM 0 H3 GLY A -4 25.310 -7.108 -1.139 1.00 0.00 H new ATOM 0 HA2 GLY A -4 22.935 -7.204 -2.433 1.00 0.00 H new ATOM 0 HA3 GLY A -4 23.241 -7.791 -0.810 1.00 0.00 H new ATOM 10 N PRO A -3 20.970 -6.043 -1.087 1.00 0.00 N ATOM 11 CA PRO A -3 19.945 -5.075 -0.689 1.00 0.00 C ATOM 12 C PRO A -3 19.719 -5.025 0.828 1.00 0.00 C ATOM 13 O PRO A -3 19.597 -3.927 1.375 1.00 0.00 O ATOM 14 CB PRO A -3 18.680 -5.498 -1.438 1.00 0.00 C ATOM 15 CG PRO A -3 18.864 -6.993 -1.675 1.00 0.00 C ATOM 16 CD PRO A -3 20.373 -7.142 -1.837 1.00 0.00 C ATOM 0 HA PRO A -3 20.253 -4.061 -0.944 1.00 0.00 H new ATOM 0 HB2 PRO A -3 17.784 -5.296 -0.851 1.00 0.00 H new ATOM 0 HB3 PRO A -3 18.574 -4.956 -2.378 1.00 0.00 H new ATOM 0 HG2 PRO A -3 18.490 -7.582 -0.837 1.00 0.00 H new ATOM 0 HG3 PRO A -3 18.329 -7.328 -2.564 1.00 0.00 H new ATOM 0 HD2 PRO A -3 20.713 -8.105 -1.455 1.00 0.00 H new ATOM 0 HD3 PRO A -3 20.659 -7.097 -2.888 1.00 0.00 H new ATOM 24 N MET A -2 19.646 -6.187 1.501 1.00 0.00 N ATOM 25 CA MET A -2 19.497 -6.386 2.965 1.00 0.00 C ATOM 26 C MET A -2 18.093 -6.039 3.505 1.00 0.00 C ATOM 27 O MET A -2 17.649 -6.632 4.490 1.00 0.00 O ATOM 28 CB MET A -2 20.600 -5.616 3.721 1.00 0.00 C ATOM 29 CG MET A -2 20.788 -6.131 5.154 1.00 0.00 C ATOM 30 SD MET A -2 22.168 -5.379 6.056 1.00 0.00 S ATOM 31 CE MET A -2 21.506 -3.708 6.302 1.00 0.00 C ATOM 0 H MET A -2 19.692 -7.078 1.007 1.00 0.00 H new ATOM 0 HA MET A -2 19.614 -7.454 3.147 1.00 0.00 H new ATOM 0 HB2 MET A -2 21.541 -5.706 3.178 1.00 0.00 H new ATOM 0 HB3 MET A -2 20.348 -4.556 3.748 1.00 0.00 H new ATOM 0 HG2 MET A -2 19.868 -5.955 5.712 1.00 0.00 H new ATOM 0 HG3 MET A -2 20.939 -7.210 5.121 1.00 0.00 H new ATOM 0 HE1 MET A -2 22.184 -3.138 6.936 1.00 0.00 H new ATOM 0 HE2 MET A -2 21.407 -3.210 5.337 1.00 0.00 H new ATOM 0 HE3 MET A -2 20.529 -3.771 6.780 1.00 0.00 H new ATOM 41 N GLY A -1 17.363 -5.133 2.850 1.00 0.00 N ATOM 42 CA GLY A -1 15.988 -4.747 3.184 1.00 0.00 C ATOM 43 C GLY A -1 15.373 -3.740 2.212 1.00 0.00 C ATOM 44 O GLY A -1 16.088 -2.957 1.587 1.00 0.00 O ATOM 0 H GLY A -1 17.726 -4.628 2.041 1.00 0.00 H new ATOM 0 HA2 GLY A -1 15.366 -5.641 3.207 1.00 0.00 H new ATOM 0 HA3 GLY A -1 15.974 -4.323 4.188 1.00 0.00 H new ATOM 48 N MET A 755 14.035 -3.755 2.106 1.00 0.00 N ATOM 49 CA MET A 755 13.147 -2.708 1.544 1.00 0.00 C ATOM 50 C MET A 755 13.174 -2.556 0.012 1.00 0.00 C ATOM 51 O MET A 755 12.162 -2.169 -0.580 1.00 0.00 O ATOM 52 CB MET A 755 13.395 -1.350 2.234 1.00 0.00 C ATOM 53 CG MET A 755 13.199 -1.456 3.755 1.00 0.00 C ATOM 54 SD MET A 755 13.372 0.104 4.669 1.00 0.00 S ATOM 55 CE MET A 755 15.161 0.355 4.520 1.00 0.00 C ATOM 0 H MET A 755 13.498 -4.558 2.434 1.00 0.00 H new ATOM 0 HA MET A 755 12.140 -3.062 1.763 1.00 0.00 H new ATOM 0 HB2 MET A 755 14.407 -1.009 2.018 1.00 0.00 H new ATOM 0 HB3 MET A 755 12.713 -0.603 1.828 1.00 0.00 H new ATOM 0 HG2 MET A 755 12.207 -1.864 3.950 1.00 0.00 H new ATOM 0 HG3 MET A 755 13.921 -2.171 4.149 1.00 0.00 H new ATOM 0 HE1 MET A 755 15.456 1.227 5.104 1.00 0.00 H new ATOM 0 HE2 MET A 755 15.684 -0.525 4.893 1.00 0.00 H new ATOM 0 HE3 MET A 755 15.420 0.514 3.473 1.00 0.00 H new ATOM 65 N GLN A 756 14.297 -2.862 -0.637 1.00 0.00 N ATOM 66 CA GLN A 756 14.444 -2.826 -2.096 1.00 0.00 C ATOM 67 C GLN A 756 13.791 -4.039 -2.784 1.00 0.00 C ATOM 68 O GLN A 756 13.293 -3.908 -3.902 1.00 0.00 O ATOM 69 CB GLN A 756 15.947 -2.719 -2.425 1.00 0.00 C ATOM 70 CG GLN A 756 16.297 -2.637 -3.924 1.00 0.00 C ATOM 71 CD GLN A 756 15.704 -1.417 -4.629 1.00 0.00 C ATOM 72 OE1 GLN A 756 16.330 -0.371 -4.750 1.00 0.00 O ATOM 73 NE2 GLN A 756 14.477 -1.489 -5.102 1.00 0.00 N ATOM 0 H GLN A 756 15.149 -3.148 -0.155 1.00 0.00 H new ATOM 0 HA GLN A 756 13.917 -1.956 -2.488 1.00 0.00 H new ATOM 0 HB2 GLN A 756 16.347 -1.835 -1.928 1.00 0.00 H new ATOM 0 HB3 GLN A 756 16.456 -3.583 -1.998 1.00 0.00 H new ATOM 0 HG2 GLN A 756 17.381 -2.617 -4.034 1.00 0.00 H new ATOM 0 HG3 GLN A 756 15.942 -3.540 -4.421 1.00 0.00 H new ATOM 0 HE21 GLN A 756 13.944 -2.354 -5.008 1.00 0.00 H new ATOM 0 HE22 GLN A 756 14.060 -0.680 -5.562 1.00 0.00 H new ATOM 82 N SER A 757 13.771 -5.206 -2.135 1.00 0.00 N ATOM 83 CA SER A 757 13.184 -6.452 -2.663 1.00 0.00 C ATOM 84 C SER A 757 11.731 -6.668 -2.202 1.00 0.00 C ATOM 85 O SER A 757 11.328 -6.220 -1.122 1.00 0.00 O ATOM 86 CB SER A 757 14.030 -7.668 -2.240 1.00 0.00 C ATOM 87 OG SER A 757 15.397 -7.539 -2.613 1.00 0.00 O ATOM 0 H SER A 757 14.171 -5.319 -1.204 1.00 0.00 H new ATOM 0 HA SER A 757 13.180 -6.353 -3.748 1.00 0.00 H new ATOM 0 HB2 SER A 757 13.962 -7.795 -1.160 1.00 0.00 H new ATOM 0 HB3 SER A 757 13.617 -8.569 -2.693 1.00 0.00 H new ATOM 0 HG SER A 757 15.892 -8.333 -2.322 1.00 0.00 H new ATOM 93 N ILE A 758 10.944 -7.407 -2.998 1.00 0.00 N ATOM 94 CA ILE A 758 9.554 -7.782 -2.676 1.00 0.00 C ATOM 95 C ILE A 758 9.533 -9.109 -1.900 1.00 0.00 C ATOM 96 O ILE A 758 10.340 -9.999 -2.169 1.00 0.00 O ATOM 97 CB ILE A 758 8.692 -7.849 -3.965 1.00 0.00 C ATOM 98 CG1 ILE A 758 8.872 -6.631 -4.906 1.00 0.00 C ATOM 99 CG2 ILE A 758 7.199 -8.010 -3.622 1.00 0.00 C ATOM 100 CD1 ILE A 758 8.627 -5.263 -4.252 1.00 0.00 C ATOM 0 H ILE A 758 11.258 -7.768 -3.899 1.00 0.00 H new ATOM 0 HA ILE A 758 9.115 -7.016 -2.037 1.00 0.00 H new ATOM 0 HB ILE A 758 9.052 -8.725 -4.504 1.00 0.00 H new ATOM 0 HG12 ILE A 758 9.885 -6.648 -5.308 1.00 0.00 H new ATOM 0 HG13 ILE A 758 8.192 -6.740 -5.751 1.00 0.00 H new ATOM 0 HG21 ILE A 758 6.617 -8.054 -4.543 1.00 0.00 H new ATOM 0 HG22 ILE A 758 7.053 -8.930 -3.056 1.00 0.00 H new ATOM 0 HG23 ILE A 758 6.869 -7.160 -3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 758 8.777 -4.475 -4.990 1.00 0.00 H new ATOM 0 HD12 ILE A 758 7.605 -5.218 -3.875 1.00 0.00 H new ATOM 0 HD13 ILE A 758 9.325 -5.124 -3.426 1.00 0.00 H new ATOM 112 N ARG A 759 8.581 -9.283 -0.973 1.00 0.00 N ATOM 113 CA ARG A 759 8.436 -10.444 -0.066 1.00 0.00 C ATOM 114 C ARG A 759 7.976 -11.771 -0.723 1.00 0.00 C ATOM 115 O ARG A 759 7.416 -12.628 -0.038 1.00 0.00 O ATOM 116 CB ARG A 759 7.530 -10.027 1.102 1.00 0.00 C ATOM 117 CG ARG A 759 6.067 -9.795 0.671 1.00 0.00 C ATOM 118 CD ARG A 759 5.241 -9.100 1.762 1.00 0.00 C ATOM 119 NE ARG A 759 3.799 -9.193 1.463 1.00 0.00 N ATOM 120 CZ ARG A 759 2.798 -9.225 2.335 1.00 0.00 C ATOM 121 NH1 ARG A 759 2.991 -9.112 3.633 1.00 0.00 N ATOM 122 NH2 ARG A 759 1.566 -9.380 1.909 1.00 0.00 N ATOM 0 H ARG A 759 7.851 -8.586 -0.823 1.00 0.00 H new ATOM 0 HA ARG A 759 9.437 -10.698 0.284 1.00 0.00 H new ATOM 0 HB2 ARG A 759 7.559 -10.798 1.872 1.00 0.00 H new ATOM 0 HB3 ARG A 759 7.921 -9.114 1.551 1.00 0.00 H new ATOM 0 HG2 ARG A 759 6.049 -9.190 -0.236 1.00 0.00 H new ATOM 0 HG3 ARG A 759 5.607 -10.752 0.425 1.00 0.00 H new ATOM 0 HD2 ARG A 759 5.447 -9.559 2.729 1.00 0.00 H new ATOM 0 HD3 ARG A 759 5.535 -8.053 1.837 1.00 0.00 H new ATOM 0 HE ARG A 759 3.543 -9.238 0.477 1.00 0.00 H new ATOM 0 HH11 ARG A 759 3.936 -8.995 4.000 1.00 0.00 H new ATOM 0 HH12 ARG A 759 2.196 -9.141 4.271 1.00 0.00 H new ATOM 0 HH21 ARG A 759 1.380 -9.475 0.911 1.00 0.00 H new ATOM 0 HH22 ARG A 759 0.795 -9.405 2.576 1.00 0.00 H new ATOM 136 N GLU A 760 8.184 -11.950 -2.026 1.00 0.00 N ATOM 137 CA GLU A 760 7.890 -13.169 -2.796 1.00 0.00 C ATOM 138 C GLU A 760 8.983 -13.437 -3.843 1.00 0.00 C ATOM 139 O GLU A 760 9.716 -12.530 -4.244 1.00 0.00 O ATOM 140 CB GLU A 760 6.492 -13.121 -3.441 1.00 0.00 C ATOM 141 CG GLU A 760 6.187 -11.885 -4.304 1.00 0.00 C ATOM 142 CD GLU A 760 4.735 -11.919 -4.792 1.00 0.00 C ATOM 143 OE1 GLU A 760 3.814 -11.773 -3.955 1.00 0.00 O ATOM 144 OE2 GLU A 760 4.496 -12.116 -6.005 1.00 0.00 O ATOM 0 H GLU A 760 8.583 -11.214 -2.608 1.00 0.00 H new ATOM 0 HA GLU A 760 7.886 -14.003 -2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 760 6.369 -14.010 -4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 760 5.746 -13.178 -2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 760 6.362 -10.978 -3.726 1.00 0.00 H new ATOM 0 HG3 GLU A 760 6.864 -11.854 -5.158 1.00 0.00 H new ATOM 151 N GLN A 761 9.102 -14.696 -4.275 1.00 0.00 N ATOM 152 CA GLN A 761 10.229 -15.188 -5.074 1.00 0.00 C ATOM 153 C GLN A 761 9.780 -16.017 -6.285 1.00 0.00 C ATOM 154 O GLN A 761 8.772 -16.728 -6.247 1.00 0.00 O ATOM 155 CB GLN A 761 11.178 -15.998 -4.170 1.00 0.00 C ATOM 156 CG GLN A 761 10.572 -17.289 -3.587 1.00 0.00 C ATOM 157 CD GLN A 761 11.521 -17.983 -2.609 1.00 0.00 C ATOM 158 OE1 GLN A 761 12.274 -18.887 -2.964 1.00 0.00 O ATOM 159 NE2 GLN A 761 11.533 -17.597 -1.347 1.00 0.00 N ATOM 0 H GLN A 761 8.406 -15.415 -4.076 1.00 0.00 H new ATOM 0 HA GLN A 761 10.756 -14.324 -5.479 1.00 0.00 H new ATOM 0 HB2 GLN A 761 12.068 -16.258 -4.743 1.00 0.00 H new ATOM 0 HB3 GLN A 761 11.503 -15.362 -3.347 1.00 0.00 H new ATOM 0 HG2 GLN A 761 9.638 -17.052 -3.078 1.00 0.00 H new ATOM 0 HG3 GLN A 761 10.327 -17.973 -4.400 1.00 0.00 H new ATOM 0 HE21 GLN A 761 10.914 -16.848 -1.037 1.00 0.00 H new ATOM 0 HE22 GLN A 761 12.161 -18.048 -0.682 1.00 0.00 H new ATOM 168 N SER A 762 10.566 -15.961 -7.358 1.00 0.00 N ATOM 169 CA SER A 762 10.400 -16.828 -8.529 1.00 0.00 C ATOM 170 C SER A 762 10.946 -18.244 -8.279 1.00 0.00 C ATOM 171 O SER A 762 11.935 -18.444 -7.564 1.00 0.00 O ATOM 172 CB SER A 762 11.049 -16.189 -9.774 1.00 0.00 C ATOM 173 OG SER A 762 12.412 -15.835 -9.558 1.00 0.00 O ATOM 0 H SER A 762 11.344 -15.307 -7.443 1.00 0.00 H new ATOM 0 HA SER A 762 9.331 -16.930 -8.714 1.00 0.00 H new ATOM 0 HB2 SER A 762 10.986 -16.885 -10.610 1.00 0.00 H new ATOM 0 HB3 SER A 762 10.486 -15.299 -10.057 1.00 0.00 H new ATOM 0 HG SER A 762 12.780 -15.436 -10.374 1.00 0.00 H new ATOM 179 N CYS A 763 10.299 -19.244 -8.888 1.00 0.00 N ATOM 180 CA CYS A 763 10.630 -20.675 -8.809 1.00 0.00 C ATOM 181 C CYS A 763 10.301 -21.370 -10.140 1.00 0.00 C ATOM 182 O CYS A 763 9.483 -20.876 -10.928 1.00 0.00 O ATOM 183 CB CYS A 763 9.830 -21.317 -7.653 1.00 0.00 C ATOM 184 SG CYS A 763 10.639 -20.988 -6.057 1.00 0.00 S ATOM 0 H CYS A 763 9.487 -19.070 -9.481 1.00 0.00 H new ATOM 0 HA CYS A 763 11.697 -20.792 -8.618 1.00 0.00 H new ATOM 0 HB2 CYS A 763 8.815 -20.920 -7.641 1.00 0.00 H new ATOM 0 HB3 CYS A 763 9.750 -22.392 -7.812 1.00 0.00 H new ATOM 0 HG CYS A 763 11.359 -19.910 -6.150 1.00 0.00 H new ATOM 190 N ARG A 764 10.878 -22.556 -10.369 1.00 0.00 N ATOM 191 CA ARG A 764 10.379 -23.467 -11.398 1.00 0.00 C ATOM 192 C ARG A 764 9.134 -24.191 -10.867 1.00 0.00 C ATOM 193 O ARG A 764 9.080 -24.589 -9.701 1.00 0.00 O ATOM 194 CB ARG A 764 11.487 -24.407 -11.912 1.00 0.00 C ATOM 195 CG ARG A 764 11.227 -24.727 -13.394 1.00 0.00 C ATOM 196 CD ARG A 764 12.391 -25.423 -14.112 1.00 0.00 C ATOM 197 NE ARG A 764 12.345 -25.117 -15.553 1.00 0.00 N ATOM 198 CZ ARG A 764 12.431 -25.962 -16.575 1.00 0.00 C ATOM 199 NH1 ARG A 764 12.594 -27.259 -16.414 1.00 0.00 N ATOM 200 NH2 ARG A 764 12.354 -25.499 -17.801 1.00 0.00 N ATOM 0 H ARG A 764 11.688 -22.904 -9.856 1.00 0.00 H new ATOM 0 HA ARG A 764 10.073 -22.903 -12.279 1.00 0.00 H new ATOM 0 HB2 ARG A 764 12.463 -23.937 -11.794 1.00 0.00 H new ATOM 0 HB3 ARG A 764 11.503 -25.326 -11.326 1.00 0.00 H new ATOM 0 HG2 ARG A 764 10.343 -25.360 -13.465 1.00 0.00 H new ATOM 0 HG3 ARG A 764 10.998 -23.799 -13.918 1.00 0.00 H new ATOM 0 HD2 ARG A 764 13.340 -25.091 -13.691 1.00 0.00 H new ATOM 0 HD3 ARG A 764 12.333 -26.500 -13.958 1.00 0.00 H new ATOM 0 HE ARG A 764 12.233 -24.133 -15.796 1.00 0.00 H new ATOM 0 HH11 ARG A 764 12.659 -27.652 -15.475 1.00 0.00 H new ATOM 0 HH12 ARG A 764 12.655 -27.870 -17.228 1.00 0.00 H new ATOM 0 HH21 ARG A 764 12.229 -24.499 -17.962 1.00 0.00 H new ATOM 0 HH22 ARG A 764 12.419 -26.139 -18.593 1.00 0.00 H new ATOM 214 N VAL A 765 8.117 -24.306 -11.714 1.00 0.00 N ATOM 215 CA VAL A 765 6.759 -24.788 -11.427 1.00 0.00 C ATOM 216 C VAL A 765 6.372 -25.884 -12.429 1.00 0.00 C ATOM 217 O VAL A 765 7.021 -26.055 -13.459 1.00 0.00 O ATOM 218 CB VAL A 765 5.716 -23.640 -11.437 1.00 0.00 C ATOM 219 CG1 VAL A 765 5.970 -22.639 -10.291 1.00 0.00 C ATOM 220 CG2 VAL A 765 5.687 -22.859 -12.756 1.00 0.00 C ATOM 0 H VAL A 765 8.222 -24.047 -12.695 1.00 0.00 H new ATOM 0 HA VAL A 765 6.759 -25.205 -10.420 1.00 0.00 H new ATOM 0 HB VAL A 765 4.752 -24.132 -11.306 1.00 0.00 H new ATOM 0 HG11 VAL A 765 5.222 -21.847 -10.327 1.00 0.00 H new ATOM 0 HG12 VAL A 765 5.905 -23.157 -9.334 1.00 0.00 H new ATOM 0 HG13 VAL A 765 6.963 -22.204 -10.401 1.00 0.00 H new ATOM 0 HG21 VAL A 765 4.936 -22.071 -12.696 1.00 0.00 H new ATOM 0 HG22 VAL A 765 6.666 -22.415 -12.937 1.00 0.00 H new ATOM 0 HG23 VAL A 765 5.438 -23.535 -13.574 1.00 0.00 H new ATOM 230 N VAL A 766 5.322 -26.636 -12.110 1.00 0.00 N ATOM 231 CA VAL A 766 4.869 -27.829 -12.835 1.00 0.00 C ATOM 232 C VAL A 766 3.357 -27.801 -13.024 1.00 0.00 C ATOM 233 O VAL A 766 2.607 -27.600 -12.068 1.00 0.00 O ATOM 234 CB VAL A 766 5.325 -29.124 -12.124 1.00 0.00 C ATOM 235 CG1 VAL A 766 4.989 -29.200 -10.626 1.00 0.00 C ATOM 236 CG2 VAL A 766 4.785 -30.384 -12.805 1.00 0.00 C ATOM 0 H VAL A 766 4.735 -26.424 -11.303 1.00 0.00 H new ATOM 0 HA VAL A 766 5.331 -27.821 -13.822 1.00 0.00 H new ATOM 0 HB VAL A 766 6.411 -29.080 -12.211 1.00 0.00 H new ATOM 0 HG11 VAL A 766 5.350 -30.145 -10.220 1.00 0.00 H new ATOM 0 HG12 VAL A 766 5.469 -28.373 -10.103 1.00 0.00 H new ATOM 0 HG13 VAL A 766 3.909 -29.136 -10.492 1.00 0.00 H new ATOM 0 HG21 VAL A 766 5.134 -31.266 -12.268 1.00 0.00 H new ATOM 0 HG22 VAL A 766 3.695 -30.362 -12.799 1.00 0.00 H new ATOM 0 HG23 VAL A 766 5.141 -30.422 -13.835 1.00 0.00 H new ATOM 246 N THR A 767 2.921 -28.039 -14.265 1.00 0.00 N ATOM 247 CA THR A 767 1.526 -28.328 -14.599 1.00 0.00 C ATOM 248 C THR A 767 1.365 -29.836 -14.720 1.00 0.00 C ATOM 249 O THR A 767 2.041 -30.458 -15.542 1.00 0.00 O ATOM 250 CB THR A 767 1.103 -27.608 -15.884 1.00 0.00 C ATOM 251 OG1 THR A 767 1.165 -26.223 -15.656 1.00 0.00 O ATOM 252 CG2 THR A 767 -0.340 -27.919 -16.294 1.00 0.00 C ATOM 0 H THR A 767 3.538 -28.036 -15.077 1.00 0.00 H new ATOM 0 HA THR A 767 0.872 -27.957 -13.810 1.00 0.00 H new ATOM 0 HB THR A 767 1.773 -27.945 -16.674 1.00 0.00 H new ATOM 0 HG1 THR A 767 2.097 -25.925 -15.705 1.00 0.00 H new ATOM 0 HG21 THR A 767 -0.582 -27.381 -17.210 1.00 0.00 H new ATOM 0 HG22 THR A 767 -0.447 -28.990 -16.463 1.00 0.00 H new ATOM 0 HG23 THR A 767 -1.019 -27.607 -15.500 1.00 0.00 H new ATOM 260 N CYS A 768 0.446 -30.411 -13.943 1.00 0.00 N ATOM 261 CA CYS A 768 -0.049 -31.770 -14.174 1.00 0.00 C ATOM 262 C CYS A 768 -0.943 -31.743 -15.419 1.00 0.00 C ATOM 263 O CYS A 768 -1.950 -31.032 -15.464 1.00 0.00 O ATOM 264 CB CYS A 768 -0.805 -32.273 -12.940 1.00 0.00 C ATOM 265 SG CYS A 768 -1.320 -34.014 -13.176 1.00 0.00 S ATOM 0 H CYS A 768 0.024 -29.949 -13.137 1.00 0.00 H new ATOM 0 HA CYS A 768 0.777 -32.460 -14.343 1.00 0.00 H new ATOM 0 HB2 CYS A 768 -0.170 -32.191 -12.058 1.00 0.00 H new ATOM 0 HB3 CYS A 768 -1.681 -31.649 -12.762 1.00 0.00 H new ATOM 270 N LYS A 769 -0.579 -32.492 -16.459 1.00 0.00 N ATOM 271 CA LYS A 769 -1.345 -32.566 -17.701 1.00 0.00 C ATOM 272 C LYS A 769 -2.607 -33.434 -17.557 1.00 0.00 C ATOM 273 O LYS A 769 -3.561 -33.252 -18.320 1.00 0.00 O ATOM 274 CB LYS A 769 -0.430 -33.064 -18.835 1.00 0.00 C ATOM 275 CG LYS A 769 0.833 -32.218 -19.065 1.00 0.00 C ATOM 276 CD LYS A 769 0.579 -30.713 -19.298 1.00 0.00 C ATOM 277 CE LYS A 769 -0.363 -30.399 -20.473 1.00 0.00 C ATOM 278 NZ LYS A 769 0.202 -30.803 -21.790 1.00 0.00 N ATOM 0 H LYS A 769 0.262 -33.069 -16.463 1.00 0.00 H new ATOM 0 HA LYS A 769 -1.701 -31.566 -17.949 1.00 0.00 H new ATOM 0 HB2 LYS A 769 -0.129 -34.088 -18.616 1.00 0.00 H new ATOM 0 HB3 LYS A 769 -1.005 -33.092 -19.761 1.00 0.00 H new ATOM 0 HG2 LYS A 769 1.489 -32.331 -18.202 1.00 0.00 H new ATOM 0 HG3 LYS A 769 1.368 -32.618 -19.926 1.00 0.00 H new ATOM 0 HD2 LYS A 769 0.160 -30.283 -18.388 1.00 0.00 H new ATOM 0 HD3 LYS A 769 1.535 -30.219 -19.473 1.00 0.00 H new ATOM 0 HE2 LYS A 769 -1.313 -30.911 -20.318 1.00 0.00 H new ATOM 0 HE3 LYS A 769 -0.576 -29.330 -20.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 769 -0.474 -30.568 -22.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 769 1.095 -30.296 -21.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 769 0.380 -31.828 -21.792 1.00 0.00 H new ATOM 292 N THR A 770 -2.647 -34.335 -16.565 1.00 0.00 N ATOM 293 CA THR A 770 -3.789 -35.212 -16.267 1.00 0.00 C ATOM 294 C THR A 770 -4.923 -34.432 -15.601 1.00 0.00 C ATOM 295 O THR A 770 -6.059 -34.509 -16.072 1.00 0.00 O ATOM 296 CB THR A 770 -3.325 -36.408 -15.419 1.00 0.00 C ATOM 297 OG1 THR A 770 -2.250 -37.057 -16.078 1.00 0.00 O ATOM 298 CG2 THR A 770 -4.435 -37.433 -15.188 1.00 0.00 C ATOM 0 H THR A 770 -1.863 -34.478 -15.929 1.00 0.00 H new ATOM 0 HA THR A 770 -4.190 -35.604 -17.202 1.00 0.00 H new ATOM 0 HB THR A 770 -3.022 -36.015 -14.449 1.00 0.00 H new ATOM 0 HG1 THR A 770 -1.949 -37.819 -15.541 1.00 0.00 H new ATOM 0 HG21 THR A 770 -4.051 -38.255 -14.584 1.00 0.00 H new ATOM 0 HG22 THR A 770 -5.267 -36.958 -14.668 1.00 0.00 H new ATOM 0 HG23 THR A 770 -4.780 -37.818 -16.148 1.00 0.00 H new ATOM 306 N CYS A 771 -4.628 -33.637 -14.562 1.00 0.00 N ATOM 307 CA CYS A 771 -5.624 -32.874 -13.792 1.00 0.00 C ATOM 308 C CYS A 771 -5.783 -31.404 -14.254 1.00 0.00 C ATOM 309 O CYS A 771 -6.784 -30.756 -13.935 1.00 0.00 O ATOM 310 CB CYS A 771 -5.205 -32.891 -12.317 1.00 0.00 C ATOM 311 SG CYS A 771 -5.056 -34.580 -11.622 1.00 0.00 S ATOM 0 H CYS A 771 -3.674 -33.503 -14.227 1.00 0.00 H new ATOM 0 HA CYS A 771 -6.590 -33.352 -13.952 1.00 0.00 H new ATOM 0 HB2 CYS A 771 -4.249 -32.378 -12.213 1.00 0.00 H new ATOM 0 HB3 CYS A 771 -5.934 -32.329 -11.733 1.00 0.00 H new ATOM 316 N LYS A 772 -4.797 -30.867 -14.983 1.00 0.00 N ATOM 317 CA LYS A 772 -4.743 -29.509 -15.569 1.00 0.00 C ATOM 318 C LYS A 772 -4.532 -28.368 -14.536 1.00 0.00 C ATOM 319 O LYS A 772 -4.880 -27.218 -14.807 1.00 0.00 O ATOM 320 CB LYS A 772 -5.910 -29.257 -16.554 1.00 0.00 C ATOM 321 CG LYS A 772 -6.035 -30.301 -17.687 1.00 0.00 C ATOM 322 CD LYS A 772 -7.263 -31.214 -17.522 1.00 0.00 C ATOM 323 CE LYS A 772 -7.436 -32.174 -18.708 1.00 0.00 C ATOM 324 NZ LYS A 772 -6.454 -33.287 -18.684 1.00 0.00 N ATOM 0 H LYS A 772 -3.955 -31.401 -15.198 1.00 0.00 H new ATOM 0 HA LYS A 772 -3.829 -29.481 -16.162 1.00 0.00 H new ATOM 0 HB2 LYS A 772 -6.844 -29.237 -15.992 1.00 0.00 H new ATOM 0 HB3 LYS A 772 -5.785 -28.270 -17.000 1.00 0.00 H new ATOM 0 HG2 LYS A 772 -6.097 -29.785 -18.645 1.00 0.00 H new ATOM 0 HG3 LYS A 772 -5.133 -30.913 -17.712 1.00 0.00 H new ATOM 0 HD2 LYS A 772 -7.164 -31.790 -16.602 1.00 0.00 H new ATOM 0 HD3 LYS A 772 -8.158 -30.601 -17.420 1.00 0.00 H new ATOM 0 HE2 LYS A 772 -8.446 -32.584 -18.696 1.00 0.00 H new ATOM 0 HE3 LYS A 772 -7.329 -31.619 -19.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 772 -6.675 -33.961 -19.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 772 -5.496 -32.908 -18.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 772 -6.502 -33.773 -17.766 1.00 0.00 H new ATOM 338 N TYR A 773 -3.951 -28.660 -13.364 1.00 0.00 N ATOM 339 CA TYR A 773 -3.542 -27.651 -12.359 1.00 0.00 C ATOM 340 C TYR A 773 -2.035 -27.346 -12.412 1.00 0.00 C ATOM 341 O TYR A 773 -1.253 -28.200 -12.839 1.00 0.00 O ATOM 342 CB TYR A 773 -3.957 -28.073 -10.935 1.00 0.00 C ATOM 343 CG TYR A 773 -3.092 -29.146 -10.286 1.00 0.00 C ATOM 344 CD1 TYR A 773 -1.853 -28.814 -9.697 1.00 0.00 C ATOM 345 CD2 TYR A 773 -3.535 -30.480 -10.261 1.00 0.00 C ATOM 346 CE1 TYR A 773 -1.032 -29.820 -9.157 1.00 0.00 C ATOM 347 CE2 TYR A 773 -2.742 -31.485 -9.675 1.00 0.00 C ATOM 348 CZ TYR A 773 -1.468 -31.167 -9.156 1.00 0.00 C ATOM 349 OH TYR A 773 -0.662 -32.141 -8.645 1.00 0.00 O ATOM 0 H TYR A 773 -3.746 -29.617 -13.077 1.00 0.00 H new ATOM 0 HA TYR A 773 -4.070 -26.732 -12.615 1.00 0.00 H new ATOM 0 HB2 TYR A 773 -3.948 -27.189 -10.297 1.00 0.00 H new ATOM 0 HB3 TYR A 773 -4.986 -28.432 -10.967 1.00 0.00 H new ATOM 0 HD1 TYR A 773 -1.534 -27.783 -9.661 1.00 0.00 H new ATOM 0 HD2 TYR A 773 -4.491 -30.736 -10.694 1.00 0.00 H new ATOM 0 HE1 TYR A 773 -0.068 -29.565 -8.743 1.00 0.00 H new ATOM 0 HE2 TYR A 773 -3.108 -32.500 -9.622 1.00 0.00 H new ATOM 0 HH TYR A 773 -1.057 -33.020 -8.825 1.00 0.00 H new ATOM 359 N THR A 774 -1.621 -26.177 -11.900 1.00 0.00 N ATOM 360 CA THR A 774 -0.210 -25.753 -11.772 1.00 0.00 C ATOM 361 C THR A 774 0.159 -25.503 -10.309 1.00 0.00 C ATOM 362 O THR A 774 -0.605 -24.879 -9.579 1.00 0.00 O ATOM 363 CB THR A 774 0.059 -24.487 -12.600 1.00 0.00 C ATOM 364 OG1 THR A 774 -0.521 -24.603 -13.881 1.00 0.00 O ATOM 365 CG2 THR A 774 1.551 -24.226 -12.793 1.00 0.00 C ATOM 0 H THR A 774 -2.275 -25.476 -11.552 1.00 0.00 H new ATOM 0 HA THR A 774 0.411 -26.563 -12.155 1.00 0.00 H new ATOM 0 HB THR A 774 -0.381 -23.660 -12.043 1.00 0.00 H new ATOM 0 HG1 THR A 774 0.059 -25.146 -14.455 1.00 0.00 H new ATOM 0 HG21 THR A 774 1.689 -23.321 -13.384 1.00 0.00 H new ATOM 0 HG22 THR A 774 2.027 -24.100 -11.821 1.00 0.00 H new ATOM 0 HG23 THR A 774 2.004 -25.071 -13.312 1.00 0.00 H new ATOM 373 N HIS A 775 1.346 -25.945 -9.900 1.00 0.00 N ATOM 374 CA HIS A 775 1.958 -25.733 -8.573 1.00 0.00 C ATOM 375 C HIS A 775 3.497 -25.821 -8.678 1.00 0.00 C ATOM 376 O HIS A 775 4.030 -26.140 -9.740 1.00 0.00 O ATOM 377 CB HIS A 775 1.387 -26.751 -7.559 1.00 0.00 C ATOM 378 CG HIS A 775 0.393 -26.165 -6.586 1.00 0.00 C ATOM 379 ND1 HIS A 775 0.685 -25.570 -5.375 1.00 0.00 N ATOM 380 CD2 HIS A 775 -0.974 -26.198 -6.691 1.00 0.00 C ATOM 381 CE1 HIS A 775 -0.474 -25.251 -4.771 1.00 0.00 C ATOM 382 NE2 HIS A 775 -1.522 -25.610 -5.539 1.00 0.00 N ATOM 0 H HIS A 775 1.948 -26.493 -10.515 1.00 0.00 H new ATOM 0 HA HIS A 775 1.711 -24.735 -8.212 1.00 0.00 H new ATOM 0 HB2 HIS A 775 0.907 -27.562 -8.107 1.00 0.00 H new ATOM 0 HB3 HIS A 775 2.212 -27.190 -6.998 1.00 0.00 H new ATOM 0 HD1 HIS A 775 1.619 -25.401 -5.002 1.00 0.00 H new ATOM 0 HD2 HIS A 775 -1.534 -26.607 -7.519 1.00 0.00 H new ATOM 0 HE1 HIS A 775 -0.554 -24.774 -3.805 1.00 0.00 H new ATOM 390 N PHE A 776 4.235 -25.564 -7.594 1.00 0.00 N ATOM 391 CA PHE A 776 5.708 -25.678 -7.542 1.00 0.00 C ATOM 392 C PHE A 776 6.196 -27.132 -7.624 1.00 0.00 C ATOM 393 O PHE A 776 7.246 -27.391 -8.208 1.00 0.00 O ATOM 394 CB PHE A 776 6.271 -24.987 -6.285 1.00 0.00 C ATOM 395 CG PHE A 776 5.229 -24.552 -5.280 1.00 0.00 C ATOM 396 CD1 PHE A 776 4.632 -23.289 -5.421 1.00 0.00 C ATOM 397 CD2 PHE A 776 4.749 -25.458 -4.320 1.00 0.00 C ATOM 398 CE1 PHE A 776 3.545 -22.932 -4.611 1.00 0.00 C ATOM 399 CE2 PHE A 776 3.659 -25.101 -3.506 1.00 0.00 C ATOM 400 CZ PHE A 776 3.055 -23.843 -3.660 1.00 0.00 C ATOM 0 H PHE A 776 3.825 -25.265 -6.709 1.00 0.00 H new ATOM 0 HA PHE A 776 6.089 -25.166 -8.426 1.00 0.00 H new ATOM 0 HB2 PHE A 776 6.967 -25.668 -5.794 1.00 0.00 H new ATOM 0 HB3 PHE A 776 6.844 -24.113 -6.594 1.00 0.00 H new ATOM 0 HD1 PHE A 776 5.011 -22.592 -6.154 1.00 0.00 H new ATOM 0 HD2 PHE A 776 5.215 -26.426 -4.207 1.00 0.00 H new ATOM 0 HE1 PHE A 776 3.086 -21.960 -4.718 1.00 0.00 H new ATOM 0 HE2 PHE A 776 3.288 -25.793 -2.764 1.00 0.00 H new ATOM 0 HZ PHE A 776 2.209 -23.574 -3.044 1.00 0.00 H new ATOM 410 N LYS A 777 5.438 -28.080 -7.059 1.00 0.00 N ATOM 411 CA LYS A 777 5.667 -29.532 -7.121 1.00 0.00 C ATOM 412 C LYS A 777 4.348 -30.298 -7.383 1.00 0.00 C ATOM 413 O LYS A 777 3.277 -29.759 -7.063 1.00 0.00 O ATOM 414 CB LYS A 777 6.301 -30.005 -5.801 1.00 0.00 C ATOM 415 CG LYS A 777 7.701 -29.420 -5.548 1.00 0.00 C ATOM 416 CD LYS A 777 8.259 -29.928 -4.220 1.00 0.00 C ATOM 417 CE LYS A 777 9.667 -29.357 -3.977 1.00 0.00 C ATOM 418 NZ LYS A 777 10.248 -29.850 -2.702 1.00 0.00 N ATOM 0 H LYS A 777 4.606 -27.845 -6.518 1.00 0.00 H new ATOM 0 HA LYS A 777 6.343 -29.741 -7.950 1.00 0.00 H new ATOM 0 HB2 LYS A 777 5.646 -29.730 -4.974 1.00 0.00 H new ATOM 0 HB3 LYS A 777 6.366 -31.093 -5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 777 8.371 -29.699 -6.361 1.00 0.00 H new ATOM 0 HG3 LYS A 777 7.650 -28.331 -5.536 1.00 0.00 H new ATOM 0 HD2 LYS A 777 7.596 -29.638 -3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 777 8.298 -31.017 -4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 777 10.320 -29.634 -4.805 1.00 0.00 H new ATOM 0 HE3 LYS A 777 9.620 -28.268 -3.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 777 11.197 -29.444 -2.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 777 9.638 -29.565 -1.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 777 10.316 -30.887 -2.730 1.00 0.00 H new ATOM 432 N PRO A 778 4.383 -31.537 -7.934 1.00 0.00 N ATOM 433 CA PRO A 778 3.193 -32.377 -8.072 1.00 0.00 C ATOM 434 C PRO A 778 2.711 -32.856 -6.695 1.00 0.00 C ATOM 435 O PRO A 778 3.506 -33.003 -5.763 1.00 0.00 O ATOM 436 CB PRO A 778 3.596 -33.567 -8.956 1.00 0.00 C ATOM 437 CG PRO A 778 4.993 -33.220 -9.469 1.00 0.00 C ATOM 438 CD PRO A 778 5.547 -32.266 -8.414 1.00 0.00 C ATOM 0 HA PRO A 778 2.369 -31.823 -8.522 1.00 0.00 H new ATOM 0 HB2 PRO A 778 3.604 -34.497 -8.387 1.00 0.00 H new ATOM 0 HB3 PRO A 778 2.895 -33.703 -9.780 1.00 0.00 H new ATOM 0 HG2 PRO A 778 5.614 -34.110 -9.568 1.00 0.00 H new ATOM 0 HG3 PRO A 778 4.952 -32.749 -10.451 1.00 0.00 H new ATOM 0 HD2 PRO A 778 6.036 -32.809 -7.605 1.00 0.00 H new ATOM 0 HD3 PRO A 778 6.290 -31.591 -8.840 1.00 0.00 H new ATOM 446 N LYS A 779 1.413 -33.136 -6.562 1.00 0.00 N ATOM 447 CA LYS A 779 0.824 -33.726 -5.346 1.00 0.00 C ATOM 448 C LYS A 779 1.292 -35.177 -5.095 1.00 0.00 C ATOM 449 O LYS A 779 1.693 -35.899 -6.016 1.00 0.00 O ATOM 450 CB LYS A 779 -0.713 -33.655 -5.438 1.00 0.00 C ATOM 451 CG LYS A 779 -1.271 -32.229 -5.296 1.00 0.00 C ATOM 452 CD LYS A 779 -2.773 -32.168 -5.618 1.00 0.00 C ATOM 453 CE LYS A 779 -3.608 -33.045 -4.675 1.00 0.00 C ATOM 454 NZ LYS A 779 -5.054 -33.005 -5.014 1.00 0.00 N ATOM 0 H LYS A 779 0.730 -32.960 -7.299 1.00 0.00 H new ATOM 0 HA LYS A 779 1.172 -33.144 -4.493 1.00 0.00 H new ATOM 0 HB2 LYS A 779 -1.031 -34.067 -6.396 1.00 0.00 H new ATOM 0 HB3 LYS A 779 -1.145 -34.285 -4.660 1.00 0.00 H new ATOM 0 HG2 LYS A 779 -1.103 -31.872 -4.280 1.00 0.00 H new ATOM 0 HG3 LYS A 779 -0.729 -31.559 -5.963 1.00 0.00 H new ATOM 0 HD2 LYS A 779 -3.115 -31.136 -5.548 1.00 0.00 H new ATOM 0 HD3 LYS A 779 -2.935 -32.489 -6.647 1.00 0.00 H new ATOM 0 HE2 LYS A 779 -3.252 -34.074 -4.726 1.00 0.00 H new ATOM 0 HE3 LYS A 779 -3.467 -32.709 -3.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 779 -5.582 -33.610 -4.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 779 -5.401 -32.027 -4.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 779 -5.192 -33.349 -5.986 1.00 0.00 H new ATOM 468 N GLU A 780 1.147 -35.642 -3.853 1.00 0.00 N ATOM 469 CA GLU A 780 1.442 -37.029 -3.472 1.00 0.00 C ATOM 470 C GLU A 780 0.585 -38.027 -4.268 1.00 0.00 C ATOM 471 O GLU A 780 1.094 -39.061 -4.703 1.00 0.00 O ATOM 472 CB GLU A 780 1.209 -37.227 -1.965 1.00 0.00 C ATOM 473 CG GLU A 780 2.157 -36.405 -1.072 1.00 0.00 C ATOM 474 CD GLU A 780 3.629 -36.822 -1.233 1.00 0.00 C ATOM 475 OE1 GLU A 780 4.019 -37.886 -0.690 1.00 0.00 O ATOM 476 OE2 GLU A 780 4.408 -36.096 -1.890 1.00 0.00 O ATOM 0 H GLU A 780 0.820 -35.066 -3.077 1.00 0.00 H new ATOM 0 HA GLU A 780 2.489 -37.221 -3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 780 0.179 -36.958 -1.728 1.00 0.00 H new ATOM 0 HB3 GLU A 780 1.326 -38.284 -1.725 1.00 0.00 H new ATOM 0 HG2 GLU A 780 2.054 -35.348 -1.315 1.00 0.00 H new ATOM 0 HG3 GLU A 780 1.862 -36.523 -0.029 1.00 0.00 H new ATOM 483 N THR A 781 -0.687 -37.688 -4.535 1.00 0.00 N ATOM 484 CA THR A 781 -1.593 -38.457 -5.397 1.00 0.00 C ATOM 485 C THR A 781 -1.095 -38.524 -6.829 1.00 0.00 C ATOM 486 O THR A 781 -1.117 -39.598 -7.422 1.00 0.00 O ATOM 487 CB THR A 781 -3.013 -37.874 -5.358 1.00 0.00 C ATOM 488 OG1 THR A 781 -2.975 -36.461 -5.463 1.00 0.00 O ATOM 489 CG2 THR A 781 -3.702 -38.229 -4.043 1.00 0.00 C ATOM 0 H THR A 781 -1.122 -36.851 -4.147 1.00 0.00 H new ATOM 0 HA THR A 781 -1.617 -39.474 -5.005 1.00 0.00 H new ATOM 0 HB THR A 781 -3.564 -38.298 -6.198 1.00 0.00 H new ATOM 0 HG1 THR A 781 -3.888 -36.106 -5.438 1.00 0.00 H new ATOM 0 HG21 THR A 781 -4.707 -37.807 -4.033 1.00 0.00 H new ATOM 0 HG22 THR A 781 -3.762 -39.313 -3.945 1.00 0.00 H new ATOM 0 HG23 THR A 781 -3.129 -37.821 -3.210 1.00 0.00 H new ATOM 497 N CYS A 782 -0.599 -37.410 -7.371 1.00 0.00 N ATOM 498 CA CYS A 782 -0.109 -37.321 -8.746 1.00 0.00 C ATOM 499 C CYS A 782 1.188 -38.120 -8.951 1.00 0.00 C ATOM 500 O CYS A 782 1.344 -38.780 -9.979 1.00 0.00 O ATOM 501 CB CYS A 782 0.061 -35.836 -9.098 1.00 0.00 C ATOM 502 SG CYS A 782 -1.585 -35.051 -9.080 1.00 0.00 S ATOM 0 H CYS A 782 -0.526 -36.531 -6.858 1.00 0.00 H new ATOM 0 HA CYS A 782 -0.834 -37.773 -9.422 1.00 0.00 H new ATOM 0 HB2 CYS A 782 0.722 -35.349 -8.381 1.00 0.00 H new ATOM 0 HB3 CYS A 782 0.522 -35.729 -10.080 1.00 0.00 H new ATOM 507 N VAL A 783 2.089 -38.115 -7.961 1.00 0.00 N ATOM 508 CA VAL A 783 3.291 -38.968 -7.966 1.00 0.00 C ATOM 509 C VAL A 783 2.913 -40.449 -7.766 1.00 0.00 C ATOM 510 O VAL A 783 3.428 -41.310 -8.476 1.00 0.00 O ATOM 511 CB VAL A 783 4.334 -38.506 -6.915 1.00 0.00 C ATOM 512 CG1 VAL A 783 5.585 -39.401 -6.934 1.00 0.00 C ATOM 513 CG2 VAL A 783 4.800 -37.063 -7.181 1.00 0.00 C ATOM 0 H VAL A 783 2.009 -37.522 -7.135 1.00 0.00 H new ATOM 0 HA VAL A 783 3.760 -38.866 -8.945 1.00 0.00 H new ATOM 0 HB VAL A 783 3.837 -38.571 -5.947 1.00 0.00 H new ATOM 0 HG11 VAL A 783 6.295 -39.049 -6.186 1.00 0.00 H new ATOM 0 HG12 VAL A 783 5.300 -40.429 -6.709 1.00 0.00 H new ATOM 0 HG13 VAL A 783 6.047 -39.360 -7.920 1.00 0.00 H new ATOM 0 HG21 VAL A 783 5.530 -36.771 -6.426 1.00 0.00 H new ATOM 0 HG22 VAL A 783 5.256 -37.004 -8.169 1.00 0.00 H new ATOM 0 HG23 VAL A 783 3.944 -36.390 -7.136 1.00 0.00 H new ATOM 523 N SER A 784 1.985 -40.763 -6.853 1.00 0.00 N ATOM 524 CA SER A 784 1.570 -42.142 -6.542 1.00 0.00 C ATOM 525 C SER A 784 0.785 -42.821 -7.686 1.00 0.00 C ATOM 526 O SER A 784 1.038 -43.986 -8.013 1.00 0.00 O ATOM 527 CB SER A 784 0.737 -42.129 -5.246 1.00 0.00 C ATOM 528 OG SER A 784 0.381 -43.435 -4.806 1.00 0.00 O ATOM 0 H SER A 784 1.494 -40.060 -6.301 1.00 0.00 H new ATOM 0 HA SER A 784 2.474 -42.737 -6.412 1.00 0.00 H new ATOM 0 HB2 SER A 784 1.303 -41.628 -4.461 1.00 0.00 H new ATOM 0 HB3 SER A 784 -0.169 -41.545 -5.408 1.00 0.00 H new ATOM 0 HG SER A 784 -0.144 -43.370 -3.981 1.00 0.00 H new ATOM 534 N GLU A 785 -0.139 -42.100 -8.329 1.00 0.00 N ATOM 535 CA GLU A 785 -0.915 -42.574 -9.480 1.00 0.00 C ATOM 536 C GLU A 785 -0.138 -42.484 -10.816 1.00 0.00 C ATOM 537 O GLU A 785 -0.625 -42.961 -11.842 1.00 0.00 O ATOM 538 CB GLU A 785 -2.223 -41.773 -9.600 1.00 0.00 C ATOM 539 CG GLU A 785 -3.213 -42.013 -8.447 1.00 0.00 C ATOM 540 CD GLU A 785 -4.531 -41.235 -8.623 1.00 0.00 C ATOM 541 OE1 GLU A 785 -4.952 -40.977 -9.780 1.00 0.00 O ATOM 542 OE2 GLU A 785 -5.189 -40.902 -7.603 1.00 0.00 O ATOM 0 H GLU A 785 -0.374 -41.146 -8.056 1.00 0.00 H new ATOM 0 HA GLU A 785 -1.126 -43.628 -9.297 1.00 0.00 H new ATOM 0 HB2 GLU A 785 -1.983 -40.711 -9.644 1.00 0.00 H new ATOM 0 HB3 GLU A 785 -2.709 -42.029 -10.541 1.00 0.00 H new ATOM 0 HG2 GLU A 785 -3.432 -43.079 -8.377 1.00 0.00 H new ATOM 0 HG3 GLU A 785 -2.746 -41.721 -7.506 1.00 0.00 H new ATOM 549 N ASN A 786 1.047 -41.861 -10.826 1.00 0.00 N ATOM 550 CA ASN A 786 1.942 -41.718 -11.982 1.00 0.00 C ATOM 551 C ASN A 786 1.324 -40.845 -13.101 1.00 0.00 C ATOM 552 O ASN A 786 1.385 -41.205 -14.283 1.00 0.00 O ATOM 553 CB ASN A 786 2.445 -43.091 -12.489 1.00 0.00 C ATOM 554 CG ASN A 786 3.011 -43.987 -11.386 1.00 0.00 C ATOM 555 OD1 ASN A 786 2.529 -45.091 -11.148 1.00 0.00 O ATOM 556 ND2 ASN A 786 4.047 -43.555 -10.691 1.00 0.00 N ATOM 0 H ASN A 786 1.427 -41.421 -9.987 1.00 0.00 H new ATOM 0 HA ASN A 786 2.824 -41.175 -11.642 1.00 0.00 H new ATOM 0 HB2 ASN A 786 1.622 -43.610 -12.979 1.00 0.00 H new ATOM 0 HB3 ASN A 786 3.215 -42.929 -13.244 1.00 0.00 H new ATOM 0 HD21 ASN A 786 4.447 -44.138 -9.956 1.00 0.00 H new ATOM 0 HD22 ASN A 786 4.447 -42.638 -10.889 1.00 0.00 H new ATOM 563 N HIS A 787 0.717 -39.706 -12.732 1.00 0.00 N ATOM 564 CA HIS A 787 0.226 -38.697 -13.686 1.00 0.00 C ATOM 565 C HIS A 787 1.389 -38.125 -14.522 1.00 0.00 C ATOM 566 O HIS A 787 2.548 -38.162 -14.109 1.00 0.00 O ATOM 567 CB HIS A 787 -0.530 -37.570 -12.948 1.00 0.00 C ATOM 568 CG HIS A 787 -1.845 -37.951 -12.290 1.00 0.00 C ATOM 569 ND1 HIS A 787 -2.734 -37.077 -11.648 1.00 0.00 N ATOM 570 CD2 HIS A 787 -2.368 -39.217 -12.197 1.00 0.00 C ATOM 571 CE1 HIS A 787 -3.752 -37.836 -11.186 1.00 0.00 C ATOM 572 NE2 HIS A 787 -3.551 -39.125 -11.504 1.00 0.00 N ATOM 0 H HIS A 787 0.552 -39.457 -11.757 1.00 0.00 H new ATOM 0 HA HIS A 787 -0.473 -39.182 -14.368 1.00 0.00 H new ATOM 0 HB2 HIS A 787 0.129 -37.163 -12.181 1.00 0.00 H new ATOM 0 HB3 HIS A 787 -0.725 -36.768 -13.660 1.00 0.00 H new ATOM 0 HD2 HIS A 787 -1.930 -40.120 -12.596 1.00 0.00 H new ATOM 0 HE1 HIS A 787 -4.604 -37.460 -10.640 1.00 0.00 H new ATOM 0 HE2 HIS A 787 -4.170 -39.902 -11.271 1.00 0.00 H new ATOM 580 N ASP A 788 1.084 -37.596 -15.709 1.00 0.00 N ATOM 581 CA ASP A 788 2.064 -36.914 -16.565 1.00 0.00 C ATOM 582 C ASP A 788 2.098 -35.409 -16.255 1.00 0.00 C ATOM 583 O ASP A 788 1.049 -34.787 -16.096 1.00 0.00 O ATOM 584 CB ASP A 788 1.737 -37.155 -18.046 1.00 0.00 C ATOM 585 CG ASP A 788 2.029 -38.607 -18.472 1.00 0.00 C ATOM 586 OD1 ASP A 788 3.227 -38.979 -18.542 1.00 0.00 O ATOM 587 OD2 ASP A 788 1.071 -39.358 -18.780 1.00 0.00 O ATOM 0 H ASP A 788 0.146 -37.628 -16.108 1.00 0.00 H new ATOM 0 HA ASP A 788 3.052 -37.326 -16.358 1.00 0.00 H new ATOM 0 HB2 ASP A 788 0.686 -36.928 -18.227 1.00 0.00 H new ATOM 0 HB3 ASP A 788 2.321 -36.472 -18.662 1.00 0.00 H new ATOM 592 N PHE A 789 3.296 -34.816 -16.196 1.00 0.00 N ATOM 593 CA PHE A 789 3.485 -33.390 -15.909 1.00 0.00 C ATOM 594 C PHE A 789 4.501 -32.703 -16.833 1.00 0.00 C ATOM 595 O PHE A 789 5.300 -33.357 -17.506 1.00 0.00 O ATOM 596 CB PHE A 789 3.847 -33.141 -14.428 1.00 0.00 C ATOM 597 CG PHE A 789 3.993 -34.315 -13.476 1.00 0.00 C ATOM 598 CD1 PHE A 789 2.863 -34.852 -12.838 1.00 0.00 C ATOM 599 CD2 PHE A 789 5.281 -34.788 -13.144 1.00 0.00 C ATOM 600 CE1 PHE A 789 3.015 -35.874 -11.885 1.00 0.00 C ATOM 601 CE2 PHE A 789 5.426 -35.815 -12.196 1.00 0.00 C ATOM 602 CZ PHE A 789 4.295 -36.357 -11.565 1.00 0.00 C ATOM 0 H PHE A 789 4.171 -35.318 -16.348 1.00 0.00 H new ATOM 0 HA PHE A 789 2.517 -32.931 -16.112 1.00 0.00 H new ATOM 0 HB2 PHE A 789 4.788 -32.591 -14.412 1.00 0.00 H new ATOM 0 HB3 PHE A 789 3.085 -32.481 -14.014 1.00 0.00 H new ATOM 0 HD1 PHE A 789 1.878 -34.480 -13.079 1.00 0.00 H new ATOM 0 HD2 PHE A 789 6.153 -34.361 -13.618 1.00 0.00 H new ATOM 0 HE1 PHE A 789 2.145 -36.289 -11.397 1.00 0.00 H new ATOM 0 HE2 PHE A 789 6.410 -36.188 -11.952 1.00 0.00 H new ATOM 0 HZ PHE A 789 4.409 -37.144 -10.834 1.00 0.00 H new ATOM 612 N HIS A 790 4.467 -31.365 -16.850 1.00 0.00 N ATOM 613 CA HIS A 790 5.355 -30.519 -17.648 1.00 0.00 C ATOM 614 C HIS A 790 5.824 -29.274 -16.872 1.00 0.00 C ATOM 615 O HIS A 790 5.028 -28.631 -16.188 1.00 0.00 O ATOM 616 CB HIS A 790 4.629 -30.127 -18.943 1.00 0.00 C ATOM 617 CG HIS A 790 5.571 -30.043 -20.114 1.00 0.00 C ATOM 618 ND1 HIS A 790 6.204 -28.921 -20.605 1.00 0.00 N ATOM 619 CD2 HIS A 790 5.997 -31.111 -20.854 1.00 0.00 C ATOM 620 CE1 HIS A 790 6.987 -29.309 -21.629 1.00 0.00 C ATOM 621 NE2 HIS A 790 6.897 -30.639 -21.819 1.00 0.00 N ATOM 0 H HIS A 790 3.802 -30.829 -16.293 1.00 0.00 H new ATOM 0 HA HIS A 790 6.256 -31.083 -17.887 1.00 0.00 H new ATOM 0 HB2 HIS A 790 3.849 -30.858 -19.157 1.00 0.00 H new ATOM 0 HB3 HIS A 790 4.135 -29.165 -18.805 1.00 0.00 H new ATOM 0 HD2 HIS A 790 5.693 -32.138 -20.719 1.00 0.00 H new ATOM 0 HE1 HIS A 790 7.603 -28.645 -22.217 1.00 0.00 H new ATOM 0 HE2 HIS A 790 7.386 -31.192 -22.523 1.00 0.00 H new ATOM 629 N TRP A 791 7.113 -28.934 -16.982 1.00 0.00 N ATOM 630 CA TRP A 791 7.768 -27.887 -16.184 1.00 0.00 C ATOM 631 C TRP A 791 7.971 -26.565 -16.950 1.00 0.00 C ATOM 632 O TRP A 791 8.123 -26.543 -18.175 1.00 0.00 O ATOM 633 CB TRP A 791 9.099 -28.430 -15.641 1.00 0.00 C ATOM 634 CG TRP A 791 8.951 -29.511 -14.605 1.00 0.00 C ATOM 635 CD1 TRP A 791 8.744 -30.824 -14.858 1.00 0.00 C ATOM 636 CD2 TRP A 791 8.957 -29.382 -13.149 1.00 0.00 C ATOM 637 NE1 TRP A 791 8.607 -31.510 -13.670 1.00 0.00 N ATOM 638 CE2 TRP A 791 8.714 -30.671 -12.584 1.00 0.00 C ATOM 639 CE3 TRP A 791 9.111 -28.303 -12.251 1.00 0.00 C ATOM 640 CZ2 TRP A 791 8.611 -30.873 -11.198 1.00 0.00 C ATOM 641 CZ3 TRP A 791 9.018 -28.498 -10.859 1.00 0.00 C ATOM 642 CH2 TRP A 791 8.760 -29.776 -10.333 1.00 0.00 C ATOM 0 H TRP A 791 7.745 -29.388 -17.642 1.00 0.00 H new ATOM 0 HA TRP A 791 7.103 -27.637 -15.358 1.00 0.00 H new ATOM 0 HB2 TRP A 791 9.686 -28.819 -16.473 1.00 0.00 H new ATOM 0 HB3 TRP A 791 9.666 -27.605 -15.210 1.00 0.00 H new ATOM 0 HD1 TRP A 791 8.694 -31.267 -15.841 1.00 0.00 H new ATOM 0 HE1 TRP A 791 8.446 -32.515 -13.604 1.00 0.00 H new ATOM 0 HE3 TRP A 791 9.303 -27.313 -12.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 791 8.420 -31.859 -10.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 791 9.146 -27.659 -10.191 1.00 0.00 H new ATOM 0 HH2 TRP A 791 8.676 -29.914 -9.265 1.00 0.00 H new ATOM 653 N HIS A 792 7.988 -25.460 -16.206 1.00 0.00 N ATOM 654 CA HIS A 792 8.088 -24.064 -16.655 1.00 0.00 C ATOM 655 C HIS A 792 8.333 -23.142 -15.432 1.00 0.00 C ATOM 656 O HIS A 792 8.476 -23.643 -14.318 1.00 0.00 O ATOM 657 CB HIS A 792 6.826 -23.672 -17.449 1.00 0.00 C ATOM 658 CG HIS A 792 5.529 -23.746 -16.677 1.00 0.00 C ATOM 659 ND1 HIS A 792 4.736 -22.678 -16.316 1.00 0.00 N ATOM 660 CD2 HIS A 792 4.879 -24.884 -16.263 1.00 0.00 C ATOM 661 CE1 HIS A 792 3.645 -23.163 -15.703 1.00 0.00 C ATOM 662 NE2 HIS A 792 3.685 -24.508 -15.639 1.00 0.00 N ATOM 0 H HIS A 792 7.927 -25.518 -15.189 1.00 0.00 H new ATOM 0 HA HIS A 792 8.936 -23.946 -17.329 1.00 0.00 H new ATOM 0 HB2 HIS A 792 6.951 -22.655 -17.820 1.00 0.00 H new ATOM 0 HB3 HIS A 792 6.749 -24.322 -18.321 1.00 0.00 H new ATOM 0 HD1 HIS A 792 4.942 -21.693 -16.485 1.00 0.00 H new ATOM 0 HD2 HIS A 792 5.230 -25.896 -16.397 1.00 0.00 H new ATOM 0 HE1 HIS A 792 2.842 -22.556 -15.313 1.00 0.00 H new ATOM 670 N ASN A 793 8.407 -21.818 -15.583 1.00 0.00 N ATOM 671 CA ASN A 793 8.759 -20.883 -14.497 1.00 0.00 C ATOM 672 C ASN A 793 7.597 -19.949 -14.090 1.00 0.00 C ATOM 673 O ASN A 793 6.749 -19.597 -14.916 1.00 0.00 O ATOM 674 CB ASN A 793 10.016 -20.092 -14.902 1.00 0.00 C ATOM 675 CG ASN A 793 11.265 -20.977 -14.882 1.00 0.00 C ATOM 676 OD1 ASN A 793 11.562 -21.705 -15.820 1.00 0.00 O ATOM 677 ND2 ASN A 793 12.019 -20.963 -13.798 1.00 0.00 N ATOM 0 H ASN A 793 8.223 -21.353 -16.472 1.00 0.00 H new ATOM 0 HA ASN A 793 8.970 -21.471 -13.604 1.00 0.00 H new ATOM 0 HB2 ASN A 793 9.880 -19.676 -15.900 1.00 0.00 H new ATOM 0 HB3 ASN A 793 10.153 -19.251 -14.222 1.00 0.00 H new ATOM 0 HD21 ASN A 793 12.846 -21.558 -13.744 1.00 0.00 H new ATOM 0 HD22 ASN A 793 11.774 -20.358 -13.014 1.00 0.00 H new ATOM 684 N GLY A 794 7.564 -19.544 -12.813 1.00 0.00 N ATOM 685 CA GLY A 794 6.535 -18.668 -12.218 1.00 0.00 C ATOM 686 C GLY A 794 6.955 -18.018 -10.891 1.00 0.00 C ATOM 687 O GLY A 794 8.131 -18.055 -10.529 1.00 0.00 O ATOM 0 H GLY A 794 8.276 -19.825 -12.139 1.00 0.00 H new ATOM 0 HA2 GLY A 794 6.285 -17.883 -12.932 1.00 0.00 H new ATOM 0 HA3 GLY A 794 5.628 -19.250 -12.054 1.00 0.00 H new ATOM 691 N VAL A 795 5.995 -17.433 -10.169 1.00 0.00 N ATOM 692 CA VAL A 795 6.184 -16.785 -8.849 1.00 0.00 C ATOM 693 C VAL A 795 5.102 -17.262 -7.876 1.00 0.00 C ATOM 694 O VAL A 795 3.924 -17.315 -8.226 1.00 0.00 O ATOM 695 CB VAL A 795 6.151 -15.233 -8.941 1.00 0.00 C ATOM 696 CG1 VAL A 795 6.286 -14.551 -7.561 1.00 0.00 C ATOM 697 CG2 VAL A 795 7.258 -14.695 -9.857 1.00 0.00 C ATOM 0 H VAL A 795 5.028 -17.391 -10.490 1.00 0.00 H new ATOM 0 HA VAL A 795 7.171 -17.073 -8.487 1.00 0.00 H new ATOM 0 HB VAL A 795 5.174 -14.991 -9.359 1.00 0.00 H new ATOM 0 HG11 VAL A 795 6.257 -13.469 -7.686 1.00 0.00 H new ATOM 0 HG12 VAL A 795 5.464 -14.865 -6.918 1.00 0.00 H new ATOM 0 HG13 VAL A 795 7.233 -14.838 -7.104 1.00 0.00 H new ATOM 0 HG21 VAL A 795 7.202 -13.607 -9.895 1.00 0.00 H new ATOM 0 HG22 VAL A 795 8.231 -14.995 -9.467 1.00 0.00 H new ATOM 0 HG23 VAL A 795 7.129 -15.101 -10.860 1.00 0.00 H new ATOM 707 N LYS A 796 5.514 -17.611 -6.654 1.00 0.00 N ATOM 708 CA LYS A 796 4.653 -18.184 -5.603 1.00 0.00 C ATOM 709 C LYS A 796 4.152 -17.151 -4.569 1.00 0.00 C ATOM 710 O LYS A 796 4.667 -16.032 -4.469 1.00 0.00 O ATOM 711 CB LYS A 796 5.405 -19.359 -4.956 1.00 0.00 C ATOM 712 CG LYS A 796 6.552 -18.902 -4.030 1.00 0.00 C ATOM 713 CD LYS A 796 7.648 -19.965 -3.912 1.00 0.00 C ATOM 714 CE LYS A 796 7.127 -21.283 -3.320 1.00 0.00 C ATOM 715 NZ LYS A 796 8.197 -22.308 -3.224 1.00 0.00 N ATOM 0 H LYS A 796 6.483 -17.501 -6.355 1.00 0.00 H new ATOM 0 HA LYS A 796 3.734 -18.544 -6.066 1.00 0.00 H new ATOM 0 HB2 LYS A 796 4.701 -19.963 -4.383 1.00 0.00 H new ATOM 0 HB3 LYS A 796 5.811 -19.999 -5.739 1.00 0.00 H new ATOM 0 HG2 LYS A 796 6.983 -17.978 -4.415 1.00 0.00 H new ATOM 0 HG3 LYS A 796 6.153 -18.680 -3.040 1.00 0.00 H new ATOM 0 HD2 LYS A 796 8.072 -20.156 -4.898 1.00 0.00 H new ATOM 0 HD3 LYS A 796 8.455 -19.583 -3.286 1.00 0.00 H new ATOM 0 HE2 LYS A 796 6.712 -21.097 -2.329 1.00 0.00 H new ATOM 0 HE3 LYS A 796 6.315 -21.663 -3.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 796 7.805 -23.182 -2.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 796 8.576 -22.504 -4.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 796 8.961 -21.956 -2.612 1.00 0.00 H new ATOM 729 N ARG A 797 3.129 -17.541 -3.801 1.00 0.00 N ATOM 730 CA ARG A 797 2.341 -16.695 -2.889 1.00 0.00 C ATOM 731 C ARG A 797 2.187 -17.409 -1.538 1.00 0.00 C ATOM 732 O ARG A 797 1.729 -18.553 -1.487 1.00 0.00 O ATOM 733 CB ARG A 797 0.950 -16.449 -3.515 1.00 0.00 C ATOM 734 CG ARG A 797 0.984 -15.831 -4.926 1.00 0.00 C ATOM 735 CD ARG A 797 1.398 -14.352 -4.885 1.00 0.00 C ATOM 736 NE ARG A 797 2.276 -13.934 -5.989 1.00 0.00 N ATOM 737 CZ ARG A 797 2.136 -14.056 -7.303 1.00 0.00 C ATOM 738 NH1 ARG A 797 1.172 -14.752 -7.876 1.00 0.00 N ATOM 739 NH2 ARG A 797 3.008 -13.428 -8.054 1.00 0.00 N ATOM 0 H ARG A 797 2.808 -18.509 -3.797 1.00 0.00 H new ATOM 0 HA ARG A 797 2.845 -15.741 -2.732 1.00 0.00 H new ATOM 0 HB2 ARG A 797 0.413 -17.397 -3.560 1.00 0.00 H new ATOM 0 HB3 ARG A 797 0.381 -15.791 -2.858 1.00 0.00 H new ATOM 0 HG2 ARG A 797 1.682 -16.388 -5.551 1.00 0.00 H new ATOM 0 HG3 ARG A 797 0.001 -15.922 -5.388 1.00 0.00 H new ATOM 0 HD2 ARG A 797 0.499 -13.736 -4.899 1.00 0.00 H new ATOM 0 HD3 ARG A 797 1.905 -14.156 -3.940 1.00 0.00 H new ATOM 0 HE ARG A 797 3.137 -13.473 -5.695 1.00 0.00 H new ATOM 0 HH11 ARG A 797 0.481 -15.234 -7.302 1.00 0.00 H new ATOM 0 HH12 ARG A 797 1.118 -14.807 -8.893 1.00 0.00 H new ATOM 0 HH21 ARG A 797 3.750 -12.878 -7.622 1.00 0.00 H new ATOM 0 HH22 ARG A 797 2.944 -13.490 -9.070 1.00 0.00 H new ATOM 753 N PHE A 798 2.583 -16.745 -0.452 1.00 0.00 N ATOM 754 CA PHE A 798 2.605 -17.301 0.907 1.00 0.00 C ATOM 755 C PHE A 798 1.356 -16.887 1.709 1.00 0.00 C ATOM 756 O PHE A 798 0.935 -15.726 1.648 1.00 0.00 O ATOM 757 CB PHE A 798 3.894 -16.845 1.610 1.00 0.00 C ATOM 758 CG PHE A 798 5.191 -17.065 0.854 1.00 0.00 C ATOM 759 CD1 PHE A 798 5.604 -18.366 0.509 1.00 0.00 C ATOM 760 CD2 PHE A 798 6.045 -15.981 0.562 1.00 0.00 C ATOM 761 CE1 PHE A 798 6.847 -18.585 -0.117 1.00 0.00 C ATOM 762 CE2 PHE A 798 7.293 -16.198 -0.036 1.00 0.00 C ATOM 763 CZ PHE A 798 7.697 -17.499 -0.384 1.00 0.00 C ATOM 0 H PHE A 798 2.907 -15.779 -0.491 1.00 0.00 H new ATOM 0 HA PHE A 798 2.590 -18.389 0.847 1.00 0.00 H new ATOM 0 HB2 PHE A 798 3.804 -15.781 1.831 1.00 0.00 H new ATOM 0 HB3 PHE A 798 3.964 -17.365 2.566 1.00 0.00 H new ATOM 0 HD1 PHE A 798 4.961 -19.206 0.727 1.00 0.00 H new ATOM 0 HD2 PHE A 798 5.734 -14.975 0.802 1.00 0.00 H new ATOM 0 HE1 PHE A 798 7.146 -19.586 -0.391 1.00 0.00 H new ATOM 0 HE2 PHE A 798 7.948 -15.362 -0.231 1.00 0.00 H new ATOM 0 HZ PHE A 798 8.656 -17.662 -0.854 1.00 0.00 H new ATOM 773 N PHE A 799 0.793 -17.820 2.490 1.00 0.00 N ATOM 774 CA PHE A 799 -0.413 -17.611 3.309 1.00 0.00 C ATOM 775 C PHE A 799 -0.268 -18.126 4.748 1.00 0.00 C ATOM 776 O PHE A 799 0.498 -19.053 5.035 1.00 0.00 O ATOM 777 CB PHE A 799 -1.634 -18.253 2.633 1.00 0.00 C ATOM 778 CG PHE A 799 -1.885 -17.743 1.228 1.00 0.00 C ATOM 779 CD1 PHE A 799 -2.681 -16.604 1.024 1.00 0.00 C ATOM 780 CD2 PHE A 799 -1.274 -18.378 0.129 1.00 0.00 C ATOM 781 CE1 PHE A 799 -2.842 -16.078 -0.270 1.00 0.00 C ATOM 782 CE2 PHE A 799 -1.441 -17.851 -1.165 1.00 0.00 C ATOM 783 CZ PHE A 799 -2.210 -16.697 -1.363 1.00 0.00 C ATOM 0 H PHE A 799 1.171 -18.764 2.573 1.00 0.00 H new ATOM 0 HA PHE A 799 -0.556 -16.533 3.380 1.00 0.00 H new ATOM 0 HB2 PHE A 799 -1.494 -19.333 2.599 1.00 0.00 H new ATOM 0 HB3 PHE A 799 -2.518 -18.065 3.243 1.00 0.00 H new ATOM 0 HD1 PHE A 799 -3.170 -16.131 1.863 1.00 0.00 H new ATOM 0 HD2 PHE A 799 -0.679 -19.267 0.279 1.00 0.00 H new ATOM 0 HE1 PHE A 799 -3.451 -15.199 -0.424 1.00 0.00 H new ATOM 0 HE2 PHE A 799 -0.975 -18.338 -2.009 1.00 0.00 H new ATOM 0 HZ PHE A 799 -2.317 -16.283 -2.355 1.00 0.00 H new ATOM 793 N LYS A 800 -1.033 -17.524 5.659 1.00 0.00 N ATOM 794 CA LYS A 800 -1.104 -17.850 7.091 1.00 0.00 C ATOM 795 C LYS A 800 -2.562 -17.946 7.580 1.00 0.00 C ATOM 796 O LYS A 800 -3.430 -17.185 7.155 1.00 0.00 O ATOM 797 CB LYS A 800 -0.299 -16.787 7.863 1.00 0.00 C ATOM 798 CG LYS A 800 -0.266 -17.006 9.385 1.00 0.00 C ATOM 799 CD LYS A 800 0.684 -16.018 10.076 1.00 0.00 C ATOM 800 CE LYS A 800 0.672 -16.263 11.592 1.00 0.00 C ATOM 801 NZ LYS A 800 1.524 -15.282 12.314 1.00 0.00 N ATOM 0 H LYS A 800 -1.654 -16.755 5.409 1.00 0.00 H new ATOM 0 HA LYS A 800 -0.669 -18.833 7.271 1.00 0.00 H new ATOM 0 HB2 LYS A 800 0.724 -16.777 7.486 1.00 0.00 H new ATOM 0 HB3 LYS A 800 -0.724 -15.805 7.657 1.00 0.00 H new ATOM 0 HG2 LYS A 800 -1.271 -16.891 9.792 1.00 0.00 H new ATOM 0 HG3 LYS A 800 0.050 -18.027 9.600 1.00 0.00 H new ATOM 0 HD2 LYS A 800 1.695 -16.138 9.686 1.00 0.00 H new ATOM 0 HD3 LYS A 800 0.379 -14.994 9.861 1.00 0.00 H new ATOM 0 HE2 LYS A 800 -0.351 -16.199 11.963 1.00 0.00 H new ATOM 0 HE3 LYS A 800 1.024 -17.273 11.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 1.491 -15.479 13.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 2.505 -15.360 11.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 1.173 -14.320 12.135 1.00 0.00 H new ATOM 815 N CYS A 801 -2.823 -18.877 8.495 1.00 0.00 N ATOM 816 CA CYS A 801 -4.085 -19.067 9.219 1.00 0.00 C ATOM 817 C CYS A 801 -3.974 -18.492 10.657 1.00 0.00 C ATOM 818 O CYS A 801 -2.878 -18.568 11.232 1.00 0.00 O ATOM 819 CB CYS A 801 -4.334 -20.582 9.241 1.00 0.00 C ATOM 820 SG CYS A 801 -5.981 -20.998 9.901 1.00 0.00 S ATOM 0 H CYS A 801 -2.119 -19.562 8.770 1.00 0.00 H new ATOM 0 HA CYS A 801 -4.912 -18.544 8.739 1.00 0.00 H new ATOM 0 HB2 CYS A 801 -4.238 -20.979 8.230 1.00 0.00 H new ATOM 0 HB3 CYS A 801 -3.568 -21.066 9.847 1.00 0.00 H new ATOM 825 N PRO A 802 -5.055 -17.960 11.271 1.00 0.00 N ATOM 826 CA PRO A 802 -5.016 -17.382 12.617 1.00 0.00 C ATOM 827 C PRO A 802 -4.583 -18.338 13.749 1.00 0.00 C ATOM 828 O PRO A 802 -4.155 -17.845 14.794 1.00 0.00 O ATOM 829 CB PRO A 802 -6.412 -16.796 12.868 1.00 0.00 C ATOM 830 CG PRO A 802 -7.303 -17.479 11.835 1.00 0.00 C ATOM 831 CD PRO A 802 -6.350 -17.673 10.665 1.00 0.00 C ATOM 0 HA PRO A 802 -4.231 -16.626 12.643 1.00 0.00 H new ATOM 0 HB2 PRO A 802 -6.752 -17.001 13.883 1.00 0.00 H new ATOM 0 HB3 PRO A 802 -6.417 -15.713 12.743 1.00 0.00 H new ATOM 0 HG2 PRO A 802 -7.697 -18.427 12.201 1.00 0.00 H new ATOM 0 HG3 PRO A 802 -8.159 -16.861 11.564 1.00 0.00 H new ATOM 0 HD2 PRO A 802 -6.675 -18.492 10.024 1.00 0.00 H new ATOM 0 HD3 PRO A 802 -6.304 -16.780 10.042 1.00 0.00 H new ATOM 839 N CYS A 803 -4.644 -19.666 13.571 1.00 0.00 N ATOM 840 CA CYS A 803 -4.115 -20.640 14.540 1.00 0.00 C ATOM 841 C CYS A 803 -2.569 -20.774 14.519 1.00 0.00 C ATOM 842 O CYS A 803 -1.983 -21.365 15.434 1.00 0.00 O ATOM 843 CB CYS A 803 -4.806 -22.000 14.318 1.00 0.00 C ATOM 844 SG CYS A 803 -4.264 -22.787 12.761 1.00 0.00 S ATOM 0 H CYS A 803 -5.063 -20.097 12.747 1.00 0.00 H new ATOM 0 HA CYS A 803 -4.346 -20.265 15.537 1.00 0.00 H new ATOM 0 HB2 CYS A 803 -4.586 -22.661 15.156 1.00 0.00 H new ATOM 0 HB3 CYS A 803 -5.887 -21.860 14.298 1.00 0.00 H new ATOM 849 N GLY A 804 -1.909 -20.209 13.496 1.00 0.00 N ATOM 850 CA GLY A 804 -0.455 -20.259 13.263 1.00 0.00 C ATOM 851 C GLY A 804 -0.031 -21.201 12.130 1.00 0.00 C ATOM 852 O GLY A 804 1.135 -21.174 11.734 1.00 0.00 O ATOM 0 H GLY A 804 -2.397 -19.679 12.774 1.00 0.00 H new ATOM 0 HA2 GLY A 804 -0.100 -19.254 13.036 1.00 0.00 H new ATOM 0 HA3 GLY A 804 0.038 -20.571 14.183 1.00 0.00 H new ATOM 856 N ASN A 805 -0.948 -22.006 11.580 1.00 0.00 N ATOM 857 CA ASN A 805 -0.676 -22.879 10.429 1.00 0.00 C ATOM 858 C ASN A 805 -0.379 -22.066 9.145 1.00 0.00 C ATOM 859 O ASN A 805 -0.821 -20.919 9.000 1.00 0.00 O ATOM 860 CB ASN A 805 -1.851 -23.857 10.245 1.00 0.00 C ATOM 861 CG ASN A 805 -1.583 -24.977 9.235 1.00 0.00 C ATOM 862 OD1 ASN A 805 -0.446 -25.363 8.985 1.00 0.00 O ATOM 863 ND2 ASN A 805 -2.617 -25.520 8.616 1.00 0.00 N ATOM 0 H ASN A 805 -1.907 -22.071 11.923 1.00 0.00 H new ATOM 0 HA ASN A 805 0.227 -23.457 10.627 1.00 0.00 H new ATOM 0 HB2 ASN A 805 -2.092 -24.303 11.210 1.00 0.00 H new ATOM 0 HB3 ASN A 805 -2.729 -23.296 9.924 1.00 0.00 H new ATOM 0 HD21 ASN A 805 -2.470 -26.260 7.930 1.00 0.00 H new ATOM 0 HD22 ASN A 805 -3.562 -25.199 8.824 1.00 0.00 H new ATOM 870 N ARG A 806 0.381 -22.649 8.214 1.00 0.00 N ATOM 871 CA ARG A 806 0.887 -22.011 6.988 1.00 0.00 C ATOM 872 C ARG A 806 0.550 -22.842 5.740 1.00 0.00 C ATOM 873 O ARG A 806 0.420 -24.069 5.823 1.00 0.00 O ATOM 874 CB ARG A 806 2.417 -21.837 7.102 1.00 0.00 C ATOM 875 CG ARG A 806 2.884 -20.936 8.259 1.00 0.00 C ATOM 876 CD ARG A 806 2.383 -19.487 8.179 1.00 0.00 C ATOM 877 NE ARG A 806 2.761 -18.841 6.911 1.00 0.00 N ATOM 878 CZ ARG A 806 3.938 -18.299 6.615 1.00 0.00 C ATOM 879 NH1 ARG A 806 4.922 -18.205 7.486 1.00 0.00 N ATOM 880 NH2 ARG A 806 4.140 -17.834 5.402 1.00 0.00 N ATOM 0 H ARG A 806 0.676 -23.622 8.295 1.00 0.00 H new ATOM 0 HA ARG A 806 0.405 -21.039 6.881 1.00 0.00 H new ATOM 0 HB2 ARG A 806 2.872 -22.820 7.221 1.00 0.00 H new ATOM 0 HB3 ARG A 806 2.791 -21.424 6.165 1.00 0.00 H new ATOM 0 HG2 ARG A 806 2.549 -21.372 9.200 1.00 0.00 H new ATOM 0 HG3 ARG A 806 3.974 -20.930 8.281 1.00 0.00 H new ATOM 0 HD2 ARG A 806 1.298 -19.472 8.284 1.00 0.00 H new ATOM 0 HD3 ARG A 806 2.792 -18.916 9.013 1.00 0.00 H new ATOM 0 HE ARG A 806 2.046 -18.806 6.185 1.00 0.00 H new ATOM 0 HH11 ARG A 806 4.798 -18.557 8.435 1.00 0.00 H new ATOM 0 HH12 ARG A 806 5.808 -17.780 7.211 1.00 0.00 H new ATOM 0 HH21 ARG A 806 3.399 -17.892 4.704 1.00 0.00 H new ATOM 0 HH22 ARG A 806 5.038 -17.415 5.159 1.00 0.00 H new ATOM 894 N THR A 807 0.479 -22.179 4.575 1.00 0.00 N ATOM 895 CA THR A 807 0.403 -22.813 3.247 1.00 0.00 C ATOM 896 C THR A 807 0.887 -21.865 2.152 1.00 0.00 C ATOM 897 O THR A 807 1.225 -20.711 2.411 1.00 0.00 O ATOM 898 CB THR A 807 -0.989 -23.417 2.988 1.00 0.00 C ATOM 899 OG1 THR A 807 -0.832 -24.452 2.042 1.00 0.00 O ATOM 900 CG2 THR A 807 -2.020 -22.407 2.472 1.00 0.00 C ATOM 0 H THR A 807 0.473 -21.160 4.528 1.00 0.00 H new ATOM 0 HA THR A 807 1.091 -23.658 3.227 1.00 0.00 H new ATOM 0 HB THR A 807 -1.378 -23.778 3.940 1.00 0.00 H new ATOM 0 HG1 THR A 807 -0.914 -25.320 2.490 1.00 0.00 H new ATOM 0 HG21 THR A 807 -2.974 -22.910 2.314 1.00 0.00 H new ATOM 0 HG22 THR A 807 -2.147 -21.610 3.205 1.00 0.00 H new ATOM 0 HG23 THR A 807 -1.673 -21.982 1.530 1.00 0.00 H new ATOM 908 N ILE A 808 0.964 -22.366 0.922 1.00 0.00 N ATOM 909 CA ILE A 808 1.527 -21.683 -0.250 1.00 0.00 C ATOM 910 C ILE A 808 0.656 -22.005 -1.478 1.00 0.00 C ATOM 911 O ILE A 808 0.118 -23.107 -1.605 1.00 0.00 O ATOM 912 CB ILE A 808 3.018 -22.090 -0.467 1.00 0.00 C ATOM 913 CG1 ILE A 808 3.853 -22.087 0.839 1.00 0.00 C ATOM 914 CG2 ILE A 808 3.687 -21.181 -1.517 1.00 0.00 C ATOM 915 CD1 ILE A 808 5.332 -22.456 0.668 1.00 0.00 C ATOM 0 H ILE A 808 0.622 -23.301 0.700 1.00 0.00 H new ATOM 0 HA ILE A 808 1.520 -20.605 -0.090 1.00 0.00 H new ATOM 0 HB ILE A 808 2.997 -23.118 -0.829 1.00 0.00 H new ATOM 0 HG12 ILE A 808 3.792 -21.096 1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 808 3.400 -22.785 1.543 1.00 0.00 H new ATOM 0 HG21 ILE A 808 4.725 -21.484 -1.651 1.00 0.00 H new ATOM 0 HG22 ILE A 808 3.157 -21.270 -2.466 1.00 0.00 H new ATOM 0 HG23 ILE A 808 3.652 -20.146 -1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 808 5.829 -22.425 1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 808 5.411 -23.460 0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 808 5.809 -21.745 -0.007 1.00 0.00 H new ATOM 927 N SER A 809 0.529 -21.071 -2.415 1.00 0.00 N ATOM 928 CA SER A 809 -0.102 -21.290 -3.727 1.00 0.00 C ATOM 929 C SER A 809 0.619 -20.485 -4.829 1.00 0.00 C ATOM 930 O SER A 809 1.540 -19.716 -4.548 1.00 0.00 O ATOM 931 CB SER A 809 -1.599 -20.934 -3.647 1.00 0.00 C ATOM 932 OG SER A 809 -2.293 -21.321 -4.826 1.00 0.00 O ATOM 0 H SER A 809 0.867 -20.117 -2.288 1.00 0.00 H new ATOM 0 HA SER A 809 -0.013 -22.343 -3.995 1.00 0.00 H new ATOM 0 HB2 SER A 809 -2.045 -21.427 -2.783 1.00 0.00 H new ATOM 0 HB3 SER A 809 -1.711 -19.861 -3.494 1.00 0.00 H new ATOM 0 HG SER A 809 -3.240 -21.082 -4.742 1.00 0.00 H new ATOM 938 N LEU A 810 0.215 -20.661 -6.086 1.00 0.00 N ATOM 939 CA LEU A 810 0.535 -19.731 -7.181 1.00 0.00 C ATOM 940 C LEU A 810 -0.583 -18.686 -7.373 1.00 0.00 C ATOM 941 O LEU A 810 -0.356 -17.632 -7.976 1.00 0.00 O ATOM 942 CB LEU A 810 0.784 -20.533 -8.476 1.00 0.00 C ATOM 943 CG LEU A 810 1.943 -21.551 -8.421 1.00 0.00 C ATOM 944 CD1 LEU A 810 2.112 -22.186 -9.807 1.00 0.00 C ATOM 945 CD2 LEU A 810 3.279 -20.922 -7.992 1.00 0.00 C ATOM 0 H LEU A 810 -0.349 -21.458 -6.381 1.00 0.00 H new ATOM 0 HA LEU A 810 1.441 -19.181 -6.926 1.00 0.00 H new ATOM 0 HB2 LEU A 810 -0.131 -21.066 -8.733 1.00 0.00 H new ATOM 0 HB3 LEU A 810 0.981 -19.829 -9.285 1.00 0.00 H new ATOM 0 HG LEU A 810 1.683 -22.296 -7.669 1.00 0.00 H new ATOM 0 HD11 LEU A 810 2.929 -22.907 -9.780 1.00 0.00 H new ATOM 0 HD12 LEU A 810 1.189 -22.693 -10.090 1.00 0.00 H new ATOM 0 HD13 LEU A 810 2.338 -21.410 -10.538 1.00 0.00 H new ATOM 0 HD21 LEU A 810 4.053 -21.689 -7.973 1.00 0.00 H new ATOM 0 HD22 LEU A 810 3.558 -20.142 -8.701 1.00 0.00 H new ATOM 0 HD23 LEU A 810 3.174 -20.488 -6.998 1.00 0.00 H new ATOM 957 N ASP A 811 -1.790 -18.957 -6.857 1.00 0.00 N ATOM 958 CA ASP A 811 -2.967 -18.084 -6.962 1.00 0.00 C ATOM 959 C ASP A 811 -3.030 -17.045 -5.821 1.00 0.00 C ATOM 960 O ASP A 811 -2.327 -17.151 -4.810 1.00 0.00 O ATOM 961 CB ASP A 811 -4.230 -18.970 -6.992 1.00 0.00 C ATOM 962 CG ASP A 811 -5.481 -18.311 -7.607 1.00 0.00 C ATOM 963 OD1 ASP A 811 -5.385 -17.196 -8.173 1.00 0.00 O ATOM 964 OD2 ASP A 811 -6.569 -18.925 -7.516 1.00 0.00 O ATOM 0 H ASP A 811 -1.980 -19.815 -6.340 1.00 0.00 H new ATOM 0 HA ASP A 811 -2.899 -17.506 -7.884 1.00 0.00 H new ATOM 0 HB2 ASP A 811 -4.004 -19.877 -7.553 1.00 0.00 H new ATOM 0 HB3 ASP A 811 -4.464 -19.275 -5.972 1.00 0.00 H new ATOM 969 N ARG A 812 -3.906 -16.049 -5.978 1.00 0.00 N ATOM 970 CA ARG A 812 -4.108 -14.947 -5.027 1.00 0.00 C ATOM 971 C ARG A 812 -4.706 -15.365 -3.669 1.00 0.00 C ATOM 972 O ARG A 812 -4.666 -14.577 -2.722 1.00 0.00 O ATOM 973 CB ARG A 812 -4.946 -13.835 -5.686 1.00 0.00 C ATOM 974 CG ARG A 812 -6.377 -14.269 -6.050 1.00 0.00 C ATOM 975 CD ARG A 812 -7.157 -13.093 -6.655 1.00 0.00 C ATOM 976 NE ARG A 812 -8.534 -13.479 -6.991 1.00 0.00 N ATOM 977 CZ ARG A 812 -9.458 -12.707 -7.553 1.00 0.00 C ATOM 978 NH1 ARG A 812 -9.219 -11.452 -7.873 1.00 0.00 N ATOM 979 NH2 ARG A 812 -10.655 -13.194 -7.796 1.00 0.00 N ATOM 0 H ARG A 812 -4.514 -15.983 -6.794 1.00 0.00 H new ATOM 0 HA ARG A 812 -3.114 -14.573 -4.784 1.00 0.00 H new ATOM 0 HB2 ARG A 812 -4.996 -12.982 -5.010 1.00 0.00 H new ATOM 0 HB3 ARG A 812 -4.438 -13.497 -6.589 1.00 0.00 H new ATOM 0 HG2 ARG A 812 -6.343 -15.095 -6.760 1.00 0.00 H new ATOM 0 HG3 ARG A 812 -6.890 -14.634 -5.160 1.00 0.00 H new ATOM 0 HD2 ARG A 812 -7.172 -12.263 -5.949 1.00 0.00 H new ATOM 0 HD3 ARG A 812 -6.648 -12.739 -7.551 1.00 0.00 H new ATOM 0 HE ARG A 812 -8.809 -14.436 -6.771 1.00 0.00 H new ATOM 0 HH11 ARG A 812 -8.302 -11.045 -7.691 1.00 0.00 H new ATOM 0 HH12 ARG A 812 -9.951 -10.887 -8.303 1.00 0.00 H new ATOM 0 HH21 ARG A 812 -10.871 -14.161 -7.553 1.00 0.00 H new ATOM 0 HH22 ARG A 812 -11.367 -12.605 -8.227 1.00 0.00 H new ATOM 993 N LEU A 813 -5.231 -16.593 -3.559 1.00 0.00 N ATOM 994 CA LEU A 813 -5.758 -17.216 -2.337 1.00 0.00 C ATOM 995 C LEU A 813 -5.864 -18.746 -2.548 1.00 0.00 C ATOM 996 O LEU A 813 -6.321 -19.150 -3.624 1.00 0.00 O ATOM 997 CB LEU A 813 -7.139 -16.598 -2.002 1.00 0.00 C ATOM 998 CG LEU A 813 -7.642 -16.871 -0.572 1.00 0.00 C ATOM 999 CD1 LEU A 813 -6.843 -16.069 0.470 1.00 0.00 C ATOM 1000 CD2 LEU A 813 -9.120 -16.467 -0.471 1.00 0.00 C ATOM 0 H LEU A 813 -5.303 -17.213 -4.366 1.00 0.00 H new ATOM 0 HA LEU A 813 -5.087 -17.031 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -7.084 -15.520 -2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 813 -7.874 -16.982 -2.710 1.00 0.00 H new ATOM 0 HG LEU A 813 -7.513 -17.934 -0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 813 -7.225 -16.286 1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -5.791 -16.349 0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -6.946 -15.003 0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 813 -9.481 -16.658 0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 813 -9.224 -15.406 -0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 813 -9.706 -17.050 -1.182 1.00 0.00 H new ATOM 1012 N PRO A 814 -5.474 -19.599 -1.582 1.00 0.00 N ATOM 1013 CA PRO A 814 -5.622 -21.048 -1.686 1.00 0.00 C ATOM 1014 C PRO A 814 -7.092 -21.457 -1.513 1.00 0.00 C ATOM 1015 O PRO A 814 -7.879 -20.748 -0.888 1.00 0.00 O ATOM 1016 CB PRO A 814 -4.726 -21.632 -0.590 1.00 0.00 C ATOM 1017 CG PRO A 814 -4.781 -20.556 0.490 1.00 0.00 C ATOM 1018 CD PRO A 814 -4.852 -19.262 -0.313 1.00 0.00 C ATOM 0 HA PRO A 814 -5.327 -21.423 -2.666 1.00 0.00 H new ATOM 0 HB2 PRO A 814 -5.100 -22.590 -0.228 1.00 0.00 H new ATOM 0 HB3 PRO A 814 -3.709 -21.800 -0.944 1.00 0.00 H new ATOM 0 HG2 PRO A 814 -5.651 -20.678 1.136 1.00 0.00 H new ATOM 0 HG3 PRO A 814 -3.901 -20.584 1.132 1.00 0.00 H new ATOM 0 HD2 PRO A 814 -5.434 -18.508 0.217 1.00 0.00 H new ATOM 0 HD3 PRO A 814 -3.856 -18.846 -0.467 1.00 0.00 H new ATOM 1026 N LYS A 815 -7.459 -22.619 -2.067 1.00 0.00 N ATOM 1027 CA LYS A 815 -8.829 -23.173 -2.008 1.00 0.00 C ATOM 1028 C LYS A 815 -9.045 -24.199 -0.881 1.00 0.00 C ATOM 1029 O LYS A 815 -10.183 -24.503 -0.514 1.00 0.00 O ATOM 1030 CB LYS A 815 -9.208 -23.745 -3.392 1.00 0.00 C ATOM 1031 CG LYS A 815 -8.577 -25.088 -3.812 1.00 0.00 C ATOM 1032 CD LYS A 815 -7.071 -25.052 -4.093 1.00 0.00 C ATOM 1033 CE LYS A 815 -6.609 -26.398 -4.663 1.00 0.00 C ATOM 1034 NZ LYS A 815 -5.157 -26.378 -4.993 1.00 0.00 N ATOM 0 H LYS A 815 -6.807 -23.214 -2.578 1.00 0.00 H new ATOM 0 HA LYS A 815 -9.500 -22.352 -1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 815 -10.291 -23.860 -3.422 1.00 0.00 H new ATOM 0 HB3 LYS A 815 -8.946 -23.002 -4.145 1.00 0.00 H new ATOM 0 HG2 LYS A 815 -8.764 -25.819 -3.025 1.00 0.00 H new ATOM 0 HG3 LYS A 815 -9.087 -25.445 -4.707 1.00 0.00 H new ATOM 0 HD2 LYS A 815 -6.844 -24.252 -4.798 1.00 0.00 H new ATOM 0 HD3 LYS A 815 -6.527 -24.831 -3.175 1.00 0.00 H new ATOM 0 HE2 LYS A 815 -6.809 -27.189 -3.940 1.00 0.00 H new ATOM 0 HE3 LYS A 815 -7.184 -26.632 -5.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 815 -4.875 -27.303 -5.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 815 -4.972 -25.639 -5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 815 -4.608 -26.178 -4.132 1.00 0.00 H new ATOM 1048 N LYS A 816 -7.958 -24.748 -0.326 1.00 0.00 N ATOM 1049 CA LYS A 816 -7.957 -25.756 0.744 1.00 0.00 C ATOM 1050 C LYS A 816 -8.437 -25.187 2.103 1.00 0.00 C ATOM 1051 O LYS A 816 -8.135 -24.044 2.447 1.00 0.00 O ATOM 1052 CB LYS A 816 -6.542 -26.364 0.861 1.00 0.00 C ATOM 1053 CG LYS A 816 -5.419 -25.307 0.922 1.00 0.00 C ATOM 1054 CD LYS A 816 -4.081 -25.843 1.451 1.00 0.00 C ATOM 1055 CE LYS A 816 -3.456 -26.864 0.492 1.00 0.00 C ATOM 1056 NZ LYS A 816 -2.062 -27.187 0.891 1.00 0.00 N ATOM 0 H LYS A 816 -7.016 -24.492 -0.621 1.00 0.00 H new ATOM 0 HA LYS A 816 -8.672 -26.534 0.478 1.00 0.00 H new ATOM 0 HB2 LYS A 816 -6.495 -26.984 1.756 1.00 0.00 H new ATOM 0 HB3 LYS A 816 -6.366 -27.020 0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 816 -5.265 -24.898 -0.077 1.00 0.00 H new ATOM 0 HG3 LYS A 816 -5.745 -24.483 1.557 1.00 0.00 H new ATOM 0 HD2 LYS A 816 -3.390 -25.013 1.599 1.00 0.00 H new ATOM 0 HD3 LYS A 816 -4.235 -26.307 2.425 1.00 0.00 H new ATOM 0 HE2 LYS A 816 -4.056 -27.774 0.483 1.00 0.00 H new ATOM 0 HE3 LYS A 816 -3.465 -26.467 -0.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 816 -1.651 -27.854 0.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 816 -1.495 -26.315 0.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 816 -2.063 -27.619 1.837 1.00 0.00 H new ATOM 1070 N HIS A 817 -9.124 -25.994 2.910 1.00 0.00 N ATOM 1071 CA HIS A 817 -9.332 -25.706 4.334 1.00 0.00 C ATOM 1072 C HIS A 817 -8.082 -26.086 5.156 1.00 0.00 C ATOM 1073 O HIS A 817 -7.210 -26.829 4.687 1.00 0.00 O ATOM 1074 CB HIS A 817 -10.581 -26.450 4.820 1.00 0.00 C ATOM 1075 CG HIS A 817 -11.884 -25.868 4.310 1.00 0.00 C ATOM 1076 ND1 HIS A 817 -12.257 -25.665 2.997 1.00 0.00 N ATOM 1077 CD2 HIS A 817 -12.919 -25.432 5.089 1.00 0.00 C ATOM 1078 CE1 HIS A 817 -13.485 -25.121 2.992 1.00 0.00 C ATOM 1079 NE2 HIS A 817 -13.942 -24.963 4.251 1.00 0.00 N ATOM 0 H HIS A 817 -9.553 -26.866 2.599 1.00 0.00 H new ATOM 0 HA HIS A 817 -9.490 -24.636 4.473 1.00 0.00 H new ATOM 0 HB2 HIS A 817 -10.514 -27.492 4.509 1.00 0.00 H new ATOM 0 HB3 HIS A 817 -10.594 -26.443 5.910 1.00 0.00 H new ATOM 0 HD2 HIS A 817 -12.945 -25.446 6.169 1.00 0.00 H new ATOM 0 HE1 HIS A 817 -14.032 -24.848 2.102 1.00 0.00 H new ATOM 0 HE2 HIS A 817 -14.844 -24.582 4.535 1.00 0.00 H new ATOM 1087 N CYS A 818 -7.977 -25.562 6.383 1.00 0.00 N ATOM 1088 CA CYS A 818 -6.859 -25.799 7.295 1.00 0.00 C ATOM 1089 C CYS A 818 -6.746 -27.274 7.730 1.00 0.00 C ATOM 1090 O CYS A 818 -7.742 -27.943 8.006 1.00 0.00 O ATOM 1091 CB CYS A 818 -7.037 -24.852 8.482 1.00 0.00 C ATOM 1092 SG CYS A 818 -5.615 -24.925 9.620 1.00 0.00 S ATOM 0 H CYS A 818 -8.688 -24.945 6.776 1.00 0.00 H new ATOM 0 HA CYS A 818 -5.916 -25.595 6.788 1.00 0.00 H new ATOM 0 HB2 CYS A 818 -7.161 -23.832 8.119 1.00 0.00 H new ATOM 0 HB3 CYS A 818 -7.948 -25.111 9.021 1.00 0.00 H new ATOM 1097 N SER A 819 -5.516 -27.776 7.811 1.00 0.00 N ATOM 1098 CA SER A 819 -5.212 -29.113 8.329 1.00 0.00 C ATOM 1099 C SER A 819 -5.056 -29.168 9.863 1.00 0.00 C ATOM 1100 O SER A 819 -4.996 -30.268 10.430 1.00 0.00 O ATOM 1101 CB SER A 819 -3.941 -29.653 7.658 1.00 0.00 C ATOM 1102 OG SER A 819 -4.112 -29.814 6.256 1.00 0.00 O ATOM 0 H SER A 819 -4.688 -27.259 7.515 1.00 0.00 H new ATOM 0 HA SER A 819 -6.071 -29.738 8.086 1.00 0.00 H new ATOM 0 HB2 SER A 819 -3.112 -28.971 7.847 1.00 0.00 H new ATOM 0 HB3 SER A 819 -3.673 -30.611 8.104 1.00 0.00 H new ATOM 0 HG SER A 819 -3.283 -30.157 5.863 1.00 0.00 H new ATOM 1108 N THR A 820 -4.997 -28.010 10.544 1.00 0.00 N ATOM 1109 CA THR A 820 -4.753 -27.903 11.996 1.00 0.00 C ATOM 1110 C THR A 820 -6.040 -27.628 12.774 1.00 0.00 C ATOM 1111 O THR A 820 -6.241 -28.262 13.811 1.00 0.00 O ATOM 1112 CB THR A 820 -3.690 -26.832 12.271 1.00 0.00 C ATOM 1113 OG1 THR A 820 -2.485 -27.237 11.656 1.00 0.00 O ATOM 1114 CG2 THR A 820 -3.382 -26.636 13.760 1.00 0.00 C ATOM 0 H THR A 820 -5.120 -27.104 10.093 1.00 0.00 H new ATOM 0 HA THR A 820 -4.378 -28.864 12.348 1.00 0.00 H new ATOM 0 HB THR A 820 -4.085 -25.894 11.881 1.00 0.00 H new ATOM 0 HG1 THR A 820 -1.792 -26.563 11.819 1.00 0.00 H new ATOM 0 HG21 THR A 820 -2.622 -25.864 13.876 1.00 0.00 H new ATOM 0 HG22 THR A 820 -4.289 -26.333 14.282 1.00 0.00 H new ATOM 0 HG23 THR A 820 -3.015 -27.572 14.182 1.00 0.00 H new ATOM 1122 N CYS A 821 -6.916 -26.741 12.283 1.00 0.00 N ATOM 1123 CA CYS A 821 -8.172 -26.362 12.956 1.00 0.00 C ATOM 1124 C CYS A 821 -9.462 -26.572 12.123 1.00 0.00 C ATOM 1125 O CYS A 821 -10.559 -26.612 12.690 1.00 0.00 O ATOM 1126 CB CYS A 821 -8.040 -24.921 13.485 1.00 0.00 C ATOM 1127 SG CYS A 821 -8.017 -23.666 12.162 1.00 0.00 S ATOM 0 H CYS A 821 -6.773 -26.259 11.396 1.00 0.00 H new ATOM 0 HA CYS A 821 -8.306 -27.055 13.787 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -8.870 -24.712 14.160 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -7.124 -24.839 14.070 1.00 0.00 H new ATOM 1132 N GLY A 822 -9.345 -26.777 10.802 1.00 0.00 N ATOM 1133 CA GLY A 822 -10.415 -27.287 9.932 1.00 0.00 C ATOM 1134 C GLY A 822 -11.275 -26.230 9.225 1.00 0.00 C ATOM 1135 O GLY A 822 -12.105 -26.600 8.394 1.00 0.00 O ATOM 0 H GLY A 822 -8.480 -26.587 10.296 1.00 0.00 H new ATOM 0 HA2 GLY A 822 -9.964 -27.926 9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 822 -11.072 -27.918 10.531 1.00 0.00 H new ATOM 1139 N LEU A 823 -11.109 -24.940 9.528 1.00 0.00 N ATOM 1140 CA LEU A 823 -11.859 -23.834 8.912 1.00 0.00 C ATOM 1141 C LEU A 823 -11.161 -23.245 7.666 1.00 0.00 C ATOM 1142 O LEU A 823 -10.182 -23.801 7.166 1.00 0.00 O ATOM 1143 CB LEU A 823 -12.237 -22.802 10.007 1.00 0.00 C ATOM 1144 CG LEU A 823 -11.107 -22.211 10.872 1.00 0.00 C ATOM 1145 CD1 LEU A 823 -9.956 -21.588 10.063 1.00 0.00 C ATOM 1146 CD2 LEU A 823 -11.712 -21.147 11.806 1.00 0.00 C ATOM 0 H LEU A 823 -10.434 -24.624 10.225 1.00 0.00 H new ATOM 0 HA LEU A 823 -12.792 -24.217 8.499 1.00 0.00 H new ATOM 0 HB2 LEU A 823 -12.752 -21.974 9.520 1.00 0.00 H new ATOM 0 HB3 LEU A 823 -12.956 -23.275 10.676 1.00 0.00 H new ATOM 0 HG LEU A 823 -10.668 -23.038 11.430 1.00 0.00 H new ATOM 0 HD11 LEU A 823 -9.202 -21.195 10.746 1.00 0.00 H new ATOM 0 HD12 LEU A 823 -9.506 -22.349 9.425 1.00 0.00 H new ATOM 0 HD13 LEU A 823 -10.343 -20.778 9.445 1.00 0.00 H new ATOM 0 HD21 LEU A 823 -10.925 -20.718 12.426 1.00 0.00 H new ATOM 0 HD22 LEU A 823 -12.174 -20.360 11.210 1.00 0.00 H new ATOM 0 HD23 LEU A 823 -12.466 -21.609 12.444 1.00 0.00 H new ATOM 1158 N PHE A 824 -11.670 -22.113 7.167 1.00 0.00 N ATOM 1159 CA PHE A 824 -11.104 -21.341 6.055 1.00 0.00 C ATOM 1160 C PHE A 824 -10.967 -19.856 6.450 1.00 0.00 C ATOM 1161 O PHE A 824 -11.952 -19.115 6.447 1.00 0.00 O ATOM 1162 CB PHE A 824 -11.992 -21.546 4.816 1.00 0.00 C ATOM 1163 CG PHE A 824 -11.434 -20.950 3.541 1.00 0.00 C ATOM 1164 CD1 PHE A 824 -10.586 -21.726 2.732 1.00 0.00 C ATOM 1165 CD2 PHE A 824 -11.746 -19.631 3.163 1.00 0.00 C ATOM 1166 CE1 PHE A 824 -10.042 -21.183 1.561 1.00 0.00 C ATOM 1167 CE2 PHE A 824 -11.210 -19.082 1.982 1.00 0.00 C ATOM 1168 CZ PHE A 824 -10.352 -19.860 1.185 1.00 0.00 C ATOM 0 H PHE A 824 -12.521 -21.693 7.541 1.00 0.00 H new ATOM 0 HA PHE A 824 -10.099 -21.689 5.816 1.00 0.00 H new ATOM 0 HB2 PHE A 824 -12.145 -22.615 4.666 1.00 0.00 H new ATOM 0 HB3 PHE A 824 -12.971 -21.108 5.009 1.00 0.00 H new ATOM 0 HD1 PHE A 824 -10.354 -22.742 3.014 1.00 0.00 H new ATOM 0 HD2 PHE A 824 -12.401 -19.036 3.782 1.00 0.00 H new ATOM 0 HE1 PHE A 824 -9.384 -21.779 0.945 1.00 0.00 H new ATOM 0 HE2 PHE A 824 -11.456 -18.071 1.691 1.00 0.00 H new ATOM 0 HZ PHE A 824 -9.929 -19.443 0.283 1.00 0.00 H new ATOM 1178 N LYS A 825 -9.750 -19.419 6.799 1.00 0.00 N ATOM 1179 CA LYS A 825 -9.409 -18.056 7.266 1.00 0.00 C ATOM 1180 C LYS A 825 -8.004 -17.592 6.790 1.00 0.00 C ATOM 1181 O LYS A 825 -7.325 -16.815 7.469 1.00 0.00 O ATOM 1182 CB LYS A 825 -9.554 -17.981 8.811 1.00 0.00 C ATOM 1183 CG LYS A 825 -10.984 -18.059 9.381 1.00 0.00 C ATOM 1184 CD LYS A 825 -11.857 -16.853 9.011 1.00 0.00 C ATOM 1185 CE LYS A 825 -13.228 -16.992 9.685 1.00 0.00 C ATOM 1186 NZ LYS A 825 -14.137 -15.869 9.341 1.00 0.00 N ATOM 0 H LYS A 825 -8.934 -20.030 6.764 1.00 0.00 H new ATOM 0 HA LYS A 825 -10.114 -17.359 6.813 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -8.970 -18.792 9.246 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -9.104 -17.047 9.149 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -11.462 -18.969 9.018 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -10.930 -18.139 10.467 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -11.375 -15.929 9.330 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -11.975 -16.794 7.929 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -13.686 -17.934 9.383 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -13.097 -17.034 10.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -15.051 -16.004 9.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -13.713 -14.972 9.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -14.284 -15.844 8.312 1.00 0.00 H new ATOM 1200 N TRP A 826 -7.537 -18.079 5.635 1.00 0.00 N ATOM 1201 CA TRP A 826 -6.223 -17.739 5.072 1.00 0.00 C ATOM 1202 C TRP A 826 -6.046 -16.230 4.813 1.00 0.00 C ATOM 1203 O TRP A 826 -6.939 -15.562 4.284 1.00 0.00 O ATOM 1204 CB TRP A 826 -5.982 -18.534 3.780 1.00 0.00 C ATOM 1205 CG TRP A 826 -5.917 -20.019 3.957 1.00 0.00 C ATOM 1206 CD1 TRP A 826 -6.808 -20.905 3.459 1.00 0.00 C ATOM 1207 CD2 TRP A 826 -4.910 -20.816 4.653 1.00 0.00 C ATOM 1208 NE1 TRP A 826 -6.432 -22.189 3.802 1.00 0.00 N ATOM 1209 CE2 TRP A 826 -5.269 -22.194 4.546 1.00 0.00 C ATOM 1210 CE3 TRP A 826 -3.713 -20.518 5.347 1.00 0.00 C ATOM 1211 CZ2 TRP A 826 -4.496 -23.218 5.119 1.00 0.00 C ATOM 1212 CZ3 TRP A 826 -2.932 -21.537 5.923 1.00 0.00 C ATOM 1213 CH2 TRP A 826 -3.327 -22.885 5.819 1.00 0.00 C ATOM 0 H TRP A 826 -8.068 -18.730 5.056 1.00 0.00 H new ATOM 0 HA TRP A 826 -5.479 -18.014 5.820 1.00 0.00 H new ATOM 0 HB2 TRP A 826 -6.779 -18.301 3.073 1.00 0.00 H new ATOM 0 HB3 TRP A 826 -5.049 -18.195 3.331 1.00 0.00 H new ATOM 0 HD1 TRP A 826 -7.683 -20.648 2.880 1.00 0.00 H new ATOM 0 HE1 TRP A 826 -6.949 -23.028 3.539 1.00 0.00 H new ATOM 0 HE3 TRP A 826 -3.393 -19.490 5.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 826 -4.799 -24.250 5.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 826 -2.023 -21.284 6.449 1.00 0.00 H new ATOM 0 HH2 TRP A 826 -2.731 -23.660 6.277 1.00 0.00 H new ATOM 1224 N GLU A 827 -4.866 -15.721 5.157 1.00 0.00 N ATOM 1225 CA GLU A 827 -4.419 -14.342 4.958 1.00 0.00 C ATOM 1226 C GLU A 827 -3.126 -14.337 4.136 1.00 0.00 C ATOM 1227 O GLU A 827 -2.196 -15.087 4.438 1.00 0.00 O ATOM 1228 CB GLU A 827 -4.197 -13.699 6.336 1.00 0.00 C ATOM 1229 CG GLU A 827 -3.683 -12.255 6.256 1.00 0.00 C ATOM 1230 CD GLU A 827 -3.753 -11.561 7.627 1.00 0.00 C ATOM 1231 OE1 GLU A 827 -2.828 -11.737 8.451 1.00 0.00 O ATOM 1232 OE2 GLU A 827 -4.744 -10.838 7.890 1.00 0.00 O ATOM 0 H GLU A 827 -4.153 -16.293 5.609 1.00 0.00 H new ATOM 0 HA GLU A 827 -5.169 -13.770 4.413 1.00 0.00 H new ATOM 0 HB2 GLU A 827 -5.135 -13.713 6.891 1.00 0.00 H new ATOM 0 HB3 GLU A 827 -3.484 -14.301 6.899 1.00 0.00 H new ATOM 0 HG2 GLU A 827 -2.654 -12.252 5.897 1.00 0.00 H new ATOM 0 HG3 GLU A 827 -4.275 -11.695 5.532 1.00 0.00 H new ATOM 1239 N ARG A 828 -3.052 -13.480 3.112 1.00 0.00 N ATOM 1240 CA ARG A 828 -1.846 -13.303 2.292 1.00 0.00 C ATOM 1241 C ARG A 828 -0.724 -12.671 3.128 1.00 0.00 C ATOM 1242 O ARG A 828 -0.900 -11.593 3.699 1.00 0.00 O ATOM 1243 CB ARG A 828 -2.182 -12.466 1.039 1.00 0.00 C ATOM 1244 CG ARG A 828 -0.974 -12.177 0.133 1.00 0.00 C ATOM 1245 CD ARG A 828 -0.362 -13.426 -0.524 1.00 0.00 C ATOM 1246 NE ARG A 828 1.109 -13.347 -0.570 1.00 0.00 N ATOM 1247 CZ ARG A 828 1.859 -12.742 -1.477 1.00 0.00 C ATOM 1248 NH1 ARG A 828 1.369 -12.081 -2.502 1.00 0.00 N ATOM 1249 NH2 ARG A 828 3.163 -12.792 -1.391 1.00 0.00 N ATOM 0 H ARG A 828 -3.830 -12.886 2.826 1.00 0.00 H new ATOM 0 HA ARG A 828 -1.487 -14.275 1.953 1.00 0.00 H new ATOM 0 HB2 ARG A 828 -2.941 -12.990 0.458 1.00 0.00 H new ATOM 0 HB3 ARG A 828 -2.620 -11.519 1.355 1.00 0.00 H new ATOM 0 HG2 ARG A 828 -1.279 -11.482 -0.649 1.00 0.00 H new ATOM 0 HG3 ARG A 828 -0.205 -11.677 0.721 1.00 0.00 H new ATOM 0 HD2 ARG A 828 -0.662 -14.315 0.031 1.00 0.00 H new ATOM 0 HD3 ARG A 828 -0.753 -13.535 -1.536 1.00 0.00 H new ATOM 0 HE ARG A 828 1.608 -13.814 0.187 1.00 0.00 H new ATOM 0 HH11 ARG A 828 0.359 -12.014 -2.630 1.00 0.00 H new ATOM 0 HH12 ARG A 828 1.998 -11.635 -3.169 1.00 0.00 H new ATOM 0 HH21 ARG A 828 3.604 -13.298 -0.623 1.00 0.00 H new ATOM 0 HH22 ARG A 828 3.739 -12.325 -2.092 1.00 0.00 H new ATOM 1263 N VAL A 829 0.433 -13.329 3.163 1.00 0.00 N ATOM 1264 CA VAL A 829 1.654 -12.880 3.862 1.00 0.00 C ATOM 1265 C VAL A 829 2.879 -12.974 2.936 1.00 0.00 C ATOM 1266 O VAL A 829 2.772 -13.431 1.797 1.00 0.00 O ATOM 1267 CB VAL A 829 1.893 -13.670 5.177 1.00 0.00 C ATOM 1268 CG1 VAL A 829 0.764 -13.441 6.192 1.00 0.00 C ATOM 1269 CG2 VAL A 829 2.081 -15.176 4.955 1.00 0.00 C ATOM 0 H VAL A 829 0.559 -14.224 2.690 1.00 0.00 H new ATOM 0 HA VAL A 829 1.506 -11.835 4.135 1.00 0.00 H new ATOM 0 HB VAL A 829 2.826 -13.276 5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 829 0.968 -14.011 7.098 1.00 0.00 H new ATOM 0 HG12 VAL A 829 0.704 -12.380 6.436 1.00 0.00 H new ATOM 0 HG13 VAL A 829 -0.183 -13.769 5.763 1.00 0.00 H new ATOM 0 HG21 VAL A 829 2.244 -15.668 5.914 1.00 0.00 H new ATOM 0 HG22 VAL A 829 1.189 -15.588 4.482 1.00 0.00 H new ATOM 0 HG23 VAL A 829 2.944 -15.344 4.310 1.00 0.00 H new ATOM 1279 N GLY A 830 4.042 -12.537 3.416 1.00 0.00 N ATOM 1280 CA GLY A 830 5.319 -12.626 2.702 1.00 0.00 C ATOM 1281 C GLY A 830 6.293 -13.640 3.294 1.00 0.00 C ATOM 1282 O GLY A 830 6.081 -14.152 4.396 1.00 0.00 O ATOM 0 H GLY A 830 4.127 -12.100 4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 830 5.124 -12.889 1.662 1.00 0.00 H new ATOM 0 HA3 GLY A 830 5.791 -11.643 2.699 1.00 0.00 H new ATOM 1286 N MET A 831 7.402 -13.862 2.583 1.00 0.00 N ATOM 1287 CA MET A 831 8.594 -14.560 3.078 1.00 0.00 C ATOM 1288 C MET A 831 9.843 -14.326 2.226 1.00 0.00 C ATOM 1289 O MET A 831 9.918 -14.769 1.082 1.00 0.00 O ATOM 1290 CB MET A 831 8.341 -16.060 3.334 1.00 0.00 C ATOM 1291 CG MET A 831 9.584 -16.835 3.795 1.00 0.00 C ATOM 1292 SD MET A 831 10.397 -16.190 5.279 1.00 0.00 S ATOM 1293 CE MET A 831 11.875 -17.231 5.230 1.00 0.00 C ATOM 0 H MET A 831 7.499 -13.551 1.616 1.00 0.00 H new ATOM 0 HA MET A 831 8.806 -14.104 4.045 1.00 0.00 H new ATOM 0 HB2 MET A 831 7.561 -16.162 4.089 1.00 0.00 H new ATOM 0 HB3 MET A 831 7.961 -16.515 2.419 1.00 0.00 H new ATOM 0 HG2 MET A 831 9.298 -17.870 3.979 1.00 0.00 H new ATOM 0 HG3 MET A 831 10.308 -16.845 2.980 1.00 0.00 H new ATOM 0 HE1 MET A 831 12.520 -16.987 6.074 1.00 0.00 H new ATOM 0 HE2 MET A 831 11.583 -18.280 5.287 1.00 0.00 H new ATOM 0 HE3 MET A 831 12.414 -17.054 4.299 1.00 0.00 H new ATOM 1303 N LEU A 832 10.853 -13.683 2.821 1.00 0.00 N ATOM 1304 CA LEU A 832 12.194 -13.458 2.270 1.00 0.00 C ATOM 1305 C LEU A 832 13.143 -12.907 3.350 1.00 0.00 C ATOM 1306 O LEU A 832 12.704 -12.380 4.372 1.00 0.00 O ATOM 1307 CB LEU A 832 12.135 -12.541 1.020 1.00 0.00 C ATOM 1308 CG LEU A 832 12.933 -13.099 -0.180 1.00 0.00 C ATOM 1309 CD1 LEU A 832 12.309 -14.384 -0.748 1.00 0.00 C ATOM 1310 CD2 LEU A 832 12.994 -12.052 -1.297 1.00 0.00 C ATOM 0 H LEU A 832 10.751 -13.283 3.754 1.00 0.00 H new ATOM 0 HA LEU A 832 12.598 -14.416 1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 832 11.094 -12.405 0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 832 12.523 -11.556 1.281 1.00 0.00 H new ATOM 0 HG LEU A 832 13.933 -13.335 0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 832 12.906 -14.737 -1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 832 12.285 -15.150 0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 832 11.293 -14.177 -1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 832 13.558 -12.452 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 832 11.983 -11.806 -1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 832 13.485 -11.152 -0.926 1.00 0.00 H new ATOM 1322 N LYS A 833 14.457 -13.011 3.129 1.00 0.00 N ATOM 1323 CA LYS A 833 15.487 -12.591 4.101 1.00 0.00 C ATOM 1324 C LYS A 833 15.708 -11.067 4.195 1.00 0.00 C ATOM 1325 O LYS A 833 16.346 -10.572 5.131 1.00 0.00 O ATOM 1326 CB LYS A 833 16.792 -13.361 3.820 1.00 0.00 C ATOM 1327 CG LYS A 833 17.470 -12.947 2.505 1.00 0.00 C ATOM 1328 CD LYS A 833 18.747 -13.759 2.252 1.00 0.00 C ATOM 1329 CE LYS A 833 19.408 -13.389 0.919 1.00 0.00 C ATOM 1330 NZ LYS A 833 19.909 -11.989 0.902 1.00 0.00 N ATOM 0 H LYS A 833 14.845 -13.391 2.266 1.00 0.00 H new ATOM 0 HA LYS A 833 15.115 -12.850 5.092 1.00 0.00 H new ATOM 0 HB2 LYS A 833 17.486 -13.200 4.645 1.00 0.00 H new ATOM 0 HB3 LYS A 833 16.576 -14.429 3.789 1.00 0.00 H new ATOM 0 HG2 LYS A 833 16.777 -13.089 1.676 1.00 0.00 H new ATOM 0 HG3 LYS A 833 17.713 -11.885 2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 833 19.452 -13.589 3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 833 18.507 -14.822 2.255 1.00 0.00 H new ATOM 0 HE2 LYS A 833 20.237 -14.071 0.726 1.00 0.00 H new ATOM 0 HE3 LYS A 833 18.689 -13.524 0.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 833 20.421 -11.814 0.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 833 19.106 -11.332 0.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 833 20.551 -11.840 1.707 1.00 0.00 H new ATOM 1344 N GLU A 834 15.161 -10.329 3.236 1.00 0.00 N ATOM 1345 CA GLU A 834 15.089 -8.861 3.222 1.00 0.00 C ATOM 1346 C GLU A 834 13.881 -8.386 4.050 1.00 0.00 C ATOM 1347 O GLU A 834 12.753 -8.816 3.813 1.00 0.00 O ATOM 1348 CB GLU A 834 14.970 -8.335 1.773 1.00 0.00 C ATOM 1349 CG GLU A 834 16.305 -8.270 1.018 1.00 0.00 C ATOM 1350 CD GLU A 834 16.959 -9.634 0.760 1.00 0.00 C ATOM 1351 OE1 GLU A 834 16.280 -10.558 0.255 1.00 0.00 O ATOM 1352 OE2 GLU A 834 18.172 -9.782 1.047 1.00 0.00 O ATOM 0 H GLU A 834 14.736 -10.749 2.409 1.00 0.00 H new ATOM 0 HA GLU A 834 16.005 -8.466 3.662 1.00 0.00 H new ATOM 0 HB2 GLU A 834 14.283 -8.976 1.220 1.00 0.00 H new ATOM 0 HB3 GLU A 834 14.528 -7.339 1.795 1.00 0.00 H new ATOM 0 HG2 GLU A 834 16.143 -7.773 0.062 1.00 0.00 H new ATOM 0 HG3 GLU A 834 16.999 -7.650 1.586 1.00 0.00 H new ATOM 1359 N LYS A 835 14.092 -7.468 5.003 1.00 0.00 N ATOM 1360 CA LYS A 835 13.002 -6.857 5.786 1.00 0.00 C ATOM 1361 C LYS A 835 12.083 -5.952 4.932 1.00 0.00 C ATOM 1362 O LYS A 835 12.540 -5.318 3.974 1.00 0.00 O ATOM 1363 CB LYS A 835 13.567 -6.149 7.037 1.00 0.00 C ATOM 1364 CG LYS A 835 14.525 -4.979 6.739 1.00 0.00 C ATOM 1365 CD LYS A 835 15.191 -4.427 8.016 1.00 0.00 C ATOM 1366 CE LYS A 835 14.223 -3.782 9.027 1.00 0.00 C ATOM 1367 NZ LYS A 835 13.697 -2.472 8.557 1.00 0.00 N ATOM 0 H LYS A 835 15.020 -7.127 5.255 1.00 0.00 H new ATOM 0 HA LYS A 835 12.351 -7.659 6.134 1.00 0.00 H new ATOM 0 HB2 LYS A 835 12.734 -5.776 7.633 1.00 0.00 H new ATOM 0 HB3 LYS A 835 14.092 -6.884 7.647 1.00 0.00 H new ATOM 0 HG2 LYS A 835 15.296 -5.312 6.045 1.00 0.00 H new ATOM 0 HG3 LYS A 835 13.975 -4.179 6.244 1.00 0.00 H new ATOM 0 HD2 LYS A 835 15.722 -5.240 8.512 1.00 0.00 H new ATOM 0 HD3 LYS A 835 15.938 -3.687 7.728 1.00 0.00 H new ATOM 0 HE2 LYS A 835 13.389 -4.460 9.210 1.00 0.00 H new ATOM 0 HE3 LYS A 835 14.736 -3.643 9.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 835 13.051 -2.080 9.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 835 14.488 -1.814 8.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 835 13.183 -2.605 7.663 1.00 0.00 H new ATOM 1381 N THR A 836 10.788 -5.880 5.278 1.00 0.00 N ATOM 1382 CA THR A 836 9.733 -5.186 4.507 1.00 0.00 C ATOM 1383 C THR A 836 9.737 -3.664 4.665 1.00 0.00 C ATOM 1384 O THR A 836 9.277 -2.970 3.755 1.00 0.00 O ATOM 1385 CB THR A 836 8.349 -5.734 4.884 1.00 0.00 C ATOM 1386 OG1 THR A 836 8.213 -5.725 6.291 1.00 0.00 O ATOM 1387 CG2 THR A 836 8.156 -7.170 4.388 1.00 0.00 C ATOM 0 H THR A 836 10.430 -6.316 6.128 1.00 0.00 H new ATOM 0 HA THR A 836 9.957 -5.389 3.460 1.00 0.00 H new ATOM 0 HB THR A 836 7.598 -5.099 4.413 1.00 0.00 H new ATOM 0 HG1 THR A 836 7.330 -6.072 6.537 1.00 0.00 H new ATOM 0 HG21 THR A 836 7.165 -7.524 4.674 1.00 0.00 H new ATOM 0 HG22 THR A 836 8.252 -7.196 3.303 1.00 0.00 H new ATOM 0 HG23 THR A 836 8.914 -7.814 4.834 1.00 0.00 H new ATOM 1395 N GLY A 837 10.271 -3.138 5.775 1.00 0.00 N ATOM 1396 CA GLY A 837 10.348 -1.693 6.054 1.00 0.00 C ATOM 1397 C GLY A 837 9.373 -1.264 7.167 1.00 0.00 C ATOM 1398 O GLY A 837 9.513 -1.773 8.283 1.00 0.00 O ATOM 0 H GLY A 837 10.669 -3.712 6.518 1.00 0.00 H new ATOM 0 HA2 GLY A 837 11.366 -1.434 6.345 1.00 0.00 H new ATOM 0 HA3 GLY A 837 10.126 -1.136 5.144 1.00 0.00 H new ATOM 1402 N PRO A 838 8.443 -0.319 6.915 1.00 0.00 N ATOM 1403 CA PRO A 838 7.589 0.264 7.950 1.00 0.00 C ATOM 1404 C PRO A 838 6.530 -0.715 8.480 1.00 0.00 C ATOM 1405 O PRO A 838 6.042 -1.585 7.755 1.00 0.00 O ATOM 1406 CB PRO A 838 6.944 1.491 7.299 1.00 0.00 C ATOM 1407 CG PRO A 838 6.886 1.117 5.819 1.00 0.00 C ATOM 1408 CD PRO A 838 8.159 0.299 5.626 1.00 0.00 C ATOM 0 HA PRO A 838 8.177 0.526 8.830 1.00 0.00 H new ATOM 0 HB2 PRO A 838 5.951 1.685 7.704 1.00 0.00 H new ATOM 0 HB3 PRO A 838 7.536 2.391 7.463 1.00 0.00 H new ATOM 0 HG2 PRO A 838 5.993 0.538 5.583 1.00 0.00 H new ATOM 0 HG3 PRO A 838 6.872 1.999 5.179 1.00 0.00 H new ATOM 0 HD2 PRO A 838 8.023 -0.457 4.853 1.00 0.00 H new ATOM 0 HD3 PRO A 838 8.986 0.934 5.308 1.00 0.00 H new ATOM 1416 N LYS A 839 6.143 -0.539 9.745 1.00 0.00 N ATOM 1417 CA LYS A 839 5.149 -1.372 10.448 1.00 0.00 C ATOM 1418 C LYS A 839 3.686 -0.954 10.168 1.00 0.00 C ATOM 1419 O LYS A 839 2.747 -1.671 10.537 1.00 0.00 O ATOM 1420 CB LYS A 839 5.447 -1.306 11.961 1.00 0.00 C ATOM 1421 CG LYS A 839 6.810 -1.926 12.330 1.00 0.00 C ATOM 1422 CD LYS A 839 7.156 -1.758 13.823 1.00 0.00 C ATOM 1423 CE LYS A 839 6.162 -2.402 14.802 1.00 0.00 C ATOM 1424 NZ LYS A 839 6.149 -3.887 14.715 1.00 0.00 N ATOM 0 H LYS A 839 6.520 0.207 10.330 1.00 0.00 H new ATOM 0 HA LYS A 839 5.240 -2.391 10.073 1.00 0.00 H new ATOM 0 HB2 LYS A 839 5.427 -0.266 12.285 1.00 0.00 H new ATOM 0 HB3 LYS A 839 4.658 -1.825 12.505 1.00 0.00 H new ATOM 0 HG2 LYS A 839 6.801 -2.987 12.081 1.00 0.00 H new ATOM 0 HG3 LYS A 839 7.590 -1.463 11.726 1.00 0.00 H new ATOM 0 HD2 LYS A 839 8.144 -2.184 14.001 1.00 0.00 H new ATOM 0 HD3 LYS A 839 7.223 -0.693 14.046 1.00 0.00 H new ATOM 0 HE2 LYS A 839 6.416 -2.104 15.819 1.00 0.00 H new ATOM 0 HE3 LYS A 839 5.161 -2.022 14.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 839 5.462 -4.269 15.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 839 5.880 -4.176 13.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 839 7.096 -4.256 14.935 1.00 0.00 H new ATOM 1438 N LEU A 840 3.476 0.221 9.564 1.00 0.00 N ATOM 1439 CA LEU A 840 2.164 0.830 9.312 1.00 0.00 C ATOM 1440 C LEU A 840 1.389 0.071 8.214 1.00 0.00 C ATOM 1441 O LEU A 840 1.985 -0.533 7.315 1.00 0.00 O ATOM 1442 CB LEU A 840 2.342 2.319 8.941 1.00 0.00 C ATOM 1443 CG LEU A 840 2.782 3.304 10.051 1.00 0.00 C ATOM 1444 CD1 LEU A 840 1.813 3.308 11.249 1.00 0.00 C ATOM 1445 CD2 LEU A 840 4.218 3.082 10.548 1.00 0.00 C ATOM 0 H LEU A 840 4.246 0.797 9.224 1.00 0.00 H new ATOM 0 HA LEU A 840 1.571 0.763 10.224 1.00 0.00 H new ATOM 0 HB2 LEU A 840 3.075 2.376 8.136 1.00 0.00 H new ATOM 0 HB3 LEU A 840 1.395 2.676 8.536 1.00 0.00 H new ATOM 0 HG LEU A 840 2.754 4.281 9.569 1.00 0.00 H new ATOM 0 HD11 LEU A 840 2.166 4.015 12.000 1.00 0.00 H new ATOM 0 HD12 LEU A 840 0.819 3.603 10.912 1.00 0.00 H new ATOM 0 HD13 LEU A 840 1.768 2.309 11.684 1.00 0.00 H new ATOM 0 HD21 LEU A 840 4.451 3.811 11.324 1.00 0.00 H new ATOM 0 HD22 LEU A 840 4.310 2.075 10.956 1.00 0.00 H new ATOM 0 HD23 LEU A 840 4.913 3.202 9.717 1.00 0.00 H new ATOM 1457 N GLY A 841 0.052 0.120 8.282 1.00 0.00 N ATOM 1458 CA GLY A 841 -0.856 -0.451 7.269 1.00 0.00 C ATOM 1459 C GLY A 841 -1.167 -1.947 7.427 1.00 0.00 C ATOM 1460 O GLY A 841 -1.925 -2.487 6.617 1.00 0.00 O ATOM 0 H GLY A 841 -0.442 0.565 9.056 1.00 0.00 H new ATOM 0 HA2 GLY A 841 -1.795 0.102 7.295 1.00 0.00 H new ATOM 0 HA3 GLY A 841 -0.419 -0.291 6.283 1.00 0.00 H new ATOM 1464 N GLY A 842 -0.618 -2.617 8.450 1.00 0.00 N ATOM 1465 CA GLY A 842 -0.848 -4.046 8.735 1.00 0.00 C ATOM 1466 C GLY A 842 -0.037 -4.563 9.924 1.00 0.00 C ATOM 1467 O GLY A 842 1.046 -5.150 9.698 1.00 0.00 O ATOM 1468 OXT GLY A 842 -0.499 -4.379 11.076 1.00 0.00 O ATOM 0 H GLY A 842 0.012 -2.174 9.118 1.00 0.00 H new ATOM 0 HA2 GLY A 842 -1.908 -4.204 8.931 1.00 0.00 H new ATOM 0 HA3 GLY A 842 -0.596 -4.631 7.850 1.00 0.00 H new TER 1472 GLY A 842 HETATM 1473 ZN ZN A 843 -2.646 -34.891 -11.287 1.00 0.00 ZN HETATM 1474 ZN ZN A 844 -5.956 -23.036 11.086 1.00 0.00 ZN