USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 953 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 Set 1.1: A 115 GLN : amide:sc= 0.618 K(o=1.3,f=-0.5) USER MOD Set 1.2: A 118 GLN : amide:sc= 0.696 K(o=1.3,f=0) USER MOD Set 2.1: A 26 ASN : amide:sc= -0.654 K(o=-0.74,f=0.52) USER MOD Set 2.2: A 29 GLN : amide:sc= -0.0898 K(o=-0.74,f=-3.1!) USER MOD Set 3.1: A 7 THR OG1 : rot 139:sc= 0.737 USER MOD Set 3.2: A 9 THR OG1 : rot 112:sc= 1.79 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= 0.126 (180deg=-0.074) USER MOD Single : A 2 LYS NZ :NH3+ -131:sc= 0.0122 (180deg=0) USER MOD Single : A 3 MET CE :methyl 163:sc= 0 (180deg=-0.124) USER MOD Single : A 4 LYS NZ :NH3+ 172:sc= 0.205 (180deg=0.0989) USER MOD Single : A 5 LYS NZ :NH3+ -128:sc= 1.53 (180deg=1.03) USER MOD Single : A 6 TYR OH : rot 180:sc=-0.00485 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HE2:sc= -0.506 X(o=-0.51,f=-0.21) USER MOD Single : A 14 SER OG : rot 100:sc= 0.00363 USER MOD Single : A 18 LYS NZ :NH3+ -174:sc= -0.104 (180deg=-0.179) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.424 X(o=-0.42,f=-0.0011) USER MOD Single : A 31 GLN : amide:sc= 0.386 K(o=0.39,f=-0.29) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 151:sc= 0.745 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0.0028 USER MOD Single : A 72 LYS NZ :NH3+ 163:sc= 0.754 (180deg=0.237) USER MOD Single : A 77 ASN : amide:sc= -1.26 K(o=-1.3,f=-7.9!) USER MOD Single : A 79 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00883) USER MOD Single : A 82 THR OG1 : rot 13:sc= 0.555 USER MOD Single : A 88 ASN : amide:sc= 0.791 K(o=0.79,f=-0.91) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -143:sc= 1.29 (180deg=1.13) USER MOD Single : A 100 MET CE :methyl 170:sc= -0.54 (180deg=-0.877) USER MOD Single : A 103 SER OG : rot -72:sc= 0.718 USER MOD Single : A 117 TYR OH : rot 180:sc= -0.166 USER MOD Single : A 121 CYS SG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.777 0.310 -5.912 1.00 0.00 N ATOM 2 CA MET A 1 15.716 0.807 -6.797 1.00 0.00 C ATOM 3 C MET A 1 15.025 -0.365 -7.497 1.00 0.00 C ATOM 4 O MET A 1 15.496 -1.500 -7.395 1.00 0.00 O ATOM 5 CB MET A 1 16.295 1.796 -7.819 1.00 0.00 C ATOM 6 CG MET A 1 17.339 1.213 -8.784 1.00 0.00 C ATOM 7 SD MET A 1 17.138 1.827 -10.477 1.00 0.00 S ATOM 8 CE MET A 1 18.686 1.255 -11.217 1.00 0.00 C ATOM 0 H1 MET A 1 17.055 1.060 -5.248 1.00 0.00 H new ATOM 0 H2 MET A 1 16.428 -0.512 -5.379 1.00 0.00 H new ATOM 0 H3 MET A 1 17.601 0.029 -6.481 1.00 0.00 H new ATOM 0 HA MET A 1 14.973 1.335 -6.200 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.474 2.208 -8.405 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.749 2.626 -7.278 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.338 1.462 -8.427 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.262 0.126 -8.784 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.720 1.553 -12.265 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.529 1.698 -10.686 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.743 0.169 -11.147 1.00 0.00 H new ATOM 18 N LYS A 2 13.969 -0.077 -8.263 1.00 0.00 N ATOM 19 CA LYS A 2 13.426 -0.878 -9.360 1.00 0.00 C ATOM 20 C LYS A 2 13.244 -2.349 -8.976 1.00 0.00 C ATOM 21 O LYS A 2 13.931 -3.224 -9.496 1.00 0.00 O ATOM 22 CB LYS A 2 14.295 -0.616 -10.602 1.00 0.00 C ATOM 23 CG LYS A 2 13.643 -1.019 -11.937 1.00 0.00 C ATOM 24 CD LYS A 2 13.798 0.086 -12.992 1.00 0.00 C ATOM 25 CE LYS A 2 15.277 0.357 -13.320 1.00 0.00 C ATOM 26 NZ LYS A 2 15.520 1.760 -13.715 1.00 0.00 N ATOM 0 H LYS A 2 13.436 0.781 -8.122 1.00 0.00 H new ATOM 0 HA LYS A 2 12.407 -0.575 -9.601 1.00 0.00 H new ATOM 0 HB2 LYS A 2 14.542 0.445 -10.639 1.00 0.00 H new ATOM 0 HB3 LYS A 2 15.234 -1.158 -10.493 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.098 -1.940 -12.303 1.00 0.00 H new ATOM 0 HG3 LYS A 2 12.585 -1.227 -11.779 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.271 -0.203 -13.901 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.332 1.002 -12.630 1.00 0.00 H new ATOM 0 HE2 LYS A 2 15.889 0.116 -12.451 1.00 0.00 H new ATOM 0 HE3 LYS A 2 15.594 -0.304 -14.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 16.078 1.782 -14.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 14.610 2.239 -13.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 16.043 2.248 -12.960 1.00 0.00 H new ATOM 40 N MET A 3 12.349 -2.595 -8.019 1.00 0.00 N ATOM 41 CA MET A 3 11.979 -3.901 -7.510 1.00 0.00 C ATOM 42 C MET A 3 10.542 -3.842 -6.980 1.00 0.00 C ATOM 43 O MET A 3 9.905 -2.785 -7.020 1.00 0.00 O ATOM 44 CB MET A 3 12.958 -4.303 -6.402 1.00 0.00 C ATOM 45 CG MET A 3 12.775 -3.573 -5.065 1.00 0.00 C ATOM 46 SD MET A 3 13.093 -4.619 -3.636 1.00 0.00 S ATOM 47 CE MET A 3 14.837 -4.970 -3.918 1.00 0.00 C ATOM 0 H MET A 3 11.839 -1.842 -7.558 1.00 0.00 H new ATOM 0 HA MET A 3 12.027 -4.648 -8.302 1.00 0.00 H new ATOM 0 HB2 MET A 3 12.862 -5.375 -6.227 1.00 0.00 H new ATOM 0 HB3 MET A 3 13.974 -4.127 -6.757 1.00 0.00 H new ATOM 0 HG2 MET A 3 13.444 -2.713 -5.034 1.00 0.00 H new ATOM 0 HG3 MET A 3 11.757 -3.187 -5.005 1.00 0.00 H new ATOM 0 HE1 MET A 3 15.286 -5.346 -2.999 1.00 0.00 H new ATOM 0 HE2 MET A 3 14.935 -5.720 -4.703 1.00 0.00 H new ATOM 0 HE3 MET A 3 15.347 -4.057 -4.223 1.00 0.00 H new ATOM 57 N LYS A 4 10.031 -4.923 -6.386 1.00 0.00 N ATOM 58 CA LYS A 4 8.749 -4.889 -5.693 1.00 0.00 C ATOM 59 C LYS A 4 8.757 -5.915 -4.568 1.00 0.00 C ATOM 60 O LYS A 4 8.980 -7.092 -4.852 1.00 0.00 O ATOM 61 CB LYS A 4 7.646 -5.165 -6.725 1.00 0.00 C ATOM 62 CG LYS A 4 6.227 -5.320 -6.162 1.00 0.00 C ATOM 63 CD LYS A 4 5.548 -6.624 -6.586 1.00 0.00 C ATOM 64 CE LYS A 4 5.200 -6.751 -8.074 1.00 0.00 C ATOM 65 NZ LYS A 4 6.323 -7.190 -8.931 1.00 0.00 N ATOM 0 H LYS A 4 10.490 -5.834 -6.373 1.00 0.00 H new ATOM 0 HA LYS A 4 8.564 -3.915 -5.239 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.642 -4.351 -7.450 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.902 -6.075 -7.268 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.268 -5.277 -5.074 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.619 -4.478 -6.491 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.200 -7.454 -6.314 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.631 -6.737 -6.008 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.378 -7.459 -8.183 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.840 -5.787 -8.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.973 -7.380 -9.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.045 -6.442 -8.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.742 -8.057 -8.537 1.00 0.00 H new ATOM 79 N LYS A 5 8.516 -5.485 -3.324 1.00 0.00 N ATOM 80 CA LYS A 5 8.266 -6.404 -2.205 1.00 0.00 C ATOM 81 C LYS A 5 6.829 -6.233 -1.702 1.00 0.00 C ATOM 82 O LYS A 5 6.091 -5.373 -2.186 1.00 0.00 O ATOM 83 CB LYS A 5 9.339 -6.266 -1.099 1.00 0.00 C ATOM 84 CG LYS A 5 10.793 -6.417 -1.574 1.00 0.00 C ATOM 85 CD LYS A 5 11.467 -7.791 -1.479 1.00 0.00 C ATOM 86 CE LYS A 5 12.612 -7.768 -2.507 1.00 0.00 C ATOM 87 NZ LYS A 5 13.637 -8.804 -2.318 1.00 0.00 N ATOM 0 H LYS A 5 8.489 -4.499 -3.065 1.00 0.00 H new ATOM 0 HA LYS A 5 8.358 -7.432 -2.555 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.228 -5.290 -0.627 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.145 -7.015 -0.331 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.833 -6.102 -2.617 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.400 -5.713 -1.005 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.848 -7.971 -0.474 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.759 -8.590 -1.700 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.187 -7.877 -3.505 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.093 -6.791 -2.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.578 -8.362 -2.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.468 -9.299 -1.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.591 -9.485 -3.103 1.00 0.00 H new ATOM 101 N TYR A 6 6.412 -7.063 -0.746 1.00 0.00 N ATOM 102 CA TYR A 6 5.075 -7.079 -0.155 1.00 0.00 C ATOM 103 C TYR A 6 5.199 -7.152 1.361 1.00 0.00 C ATOM 104 O TYR A 6 6.181 -7.682 1.885 1.00 0.00 O ATOM 105 CB TYR A 6 4.285 -8.303 -0.635 1.00 0.00 C ATOM 106 CG TYR A 6 4.069 -8.413 -2.128 1.00 0.00 C ATOM 107 CD1 TYR A 6 5.125 -8.838 -2.953 1.00 0.00 C ATOM 108 CD2 TYR A 6 2.800 -8.161 -2.686 1.00 0.00 C ATOM 109 CE1 TYR A 6 4.918 -8.988 -4.329 1.00 0.00 C ATOM 110 CE2 TYR A 6 2.578 -8.346 -4.063 1.00 0.00 C ATOM 111 CZ TYR A 6 3.638 -8.783 -4.886 1.00 0.00 C ATOM 112 OH TYR A 6 3.466 -8.966 -6.222 1.00 0.00 O ATOM 0 H TYR A 6 7.024 -7.774 -0.345 1.00 0.00 H new ATOM 0 HA TYR A 6 4.552 -6.172 -0.457 1.00 0.00 H new ATOM 0 HB2 TYR A 6 4.803 -9.200 -0.297 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.310 -8.295 -0.147 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.094 -9.048 -2.526 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.993 -7.824 -2.053 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.744 -9.263 -4.969 1.00 0.00 H new ATOM 0 HE2 TYR A 6 1.603 -8.155 -4.487 1.00 0.00 H new ATOM 0 HH TYR A 6 2.532 -8.789 -6.459 1.00 0.00 H new ATOM 122 N THR A 7 4.194 -6.663 2.083 1.00 0.00 N ATOM 123 CA THR A 7 4.183 -6.706 3.526 1.00 0.00 C ATOM 124 C THR A 7 3.491 -7.986 3.969 1.00 0.00 C ATOM 125 O THR A 7 3.010 -8.788 3.162 1.00 0.00 O ATOM 126 CB THR A 7 3.450 -5.467 4.071 1.00 0.00 C ATOM 127 OG1 THR A 7 2.058 -5.592 3.856 1.00 0.00 O ATOM 128 CG2 THR A 7 3.935 -4.141 3.490 1.00 0.00 C ATOM 0 H THR A 7 3.367 -6.227 1.675 1.00 0.00 H new ATOM 0 HA THR A 7 5.201 -6.698 3.916 1.00 0.00 H new ATOM 0 HB THR A 7 3.679 -5.437 5.136 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.575 -5.268 4.645 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.365 -3.322 3.928 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.993 -4.010 3.717 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.793 -4.144 2.409 1.00 0.00 H new ATOM 136 N LYS A 8 3.355 -8.122 5.277 1.00 0.00 N ATOM 137 CA LYS A 8 2.621 -9.187 5.944 1.00 0.00 C ATOM 138 C LYS A 8 1.248 -8.679 6.406 1.00 0.00 C ATOM 139 O LYS A 8 0.643 -9.277 7.301 1.00 0.00 O ATOM 140 CB LYS A 8 3.508 -9.773 7.055 1.00 0.00 C ATOM 141 CG LYS A 8 4.858 -10.265 6.488 1.00 0.00 C ATOM 142 CD LYS A 8 5.863 -10.759 7.525 1.00 0.00 C ATOM 143 CE LYS A 8 5.234 -11.848 8.389 1.00 0.00 C ATOM 144 NZ LYS A 8 6.239 -12.786 8.906 1.00 0.00 N ATOM 0 H LYS A 8 3.772 -7.463 5.934 1.00 0.00 H new ATOM 0 HA LYS A 8 2.396 -10.008 5.263 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.685 -9.017 7.820 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.990 -10.601 7.539 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.664 -11.072 5.782 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.314 -9.451 5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.751 -11.148 7.026 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.188 -9.929 8.152 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.703 -11.388 9.223 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.495 -12.394 7.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.771 -13.510 9.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.728 -13.244 8.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.930 -12.269 9.486 1.00 0.00 H new ATOM 158 N THR A 9 0.760 -7.586 5.810 1.00 0.00 N ATOM 159 CA THR A 9 -0.534 -6.964 6.068 1.00 0.00 C ATOM 160 C THR A 9 -1.322 -6.780 4.761 1.00 0.00 C ATOM 161 O THR A 9 -2.146 -5.879 4.653 1.00 0.00 O ATOM 162 CB THR A 9 -0.341 -5.662 6.876 1.00 0.00 C ATOM 163 OG1 THR A 9 0.629 -4.790 6.309 1.00 0.00 O ATOM 164 CG2 THR A 9 0.049 -5.985 8.322 1.00 0.00 C ATOM 0 H THR A 9 1.290 -7.087 5.096 1.00 0.00 H new ATOM 0 HA THR A 9 -1.146 -7.621 6.686 1.00 0.00 H new ATOM 0 HB THR A 9 -1.299 -5.142 6.850 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.186 -3.985 5.968 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.182 -5.057 8.879 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.738 -6.578 8.787 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.981 -6.549 8.330 1.00 0.00 H new ATOM 172 N HIS A 10 -1.126 -7.655 3.763 1.00 0.00 N ATOM 173 CA HIS A 10 -1.868 -7.640 2.498 1.00 0.00 C ATOM 174 C HIS A 10 -1.688 -6.318 1.735 1.00 0.00 C ATOM 175 O HIS A 10 -2.622 -5.784 1.139 1.00 0.00 O ATOM 176 CB HIS A 10 -3.355 -8.007 2.716 1.00 0.00 C ATOM 177 CG HIS A 10 -3.678 -8.846 3.929 1.00 0.00 C ATOM 178 ND1 HIS A 10 -3.631 -10.221 4.004 1.00 0.00 N ATOM 179 CD2 HIS A 10 -4.100 -8.367 5.140 1.00 0.00 C ATOM 180 CE1 HIS A 10 -4.027 -10.572 5.236 1.00 0.00 C ATOM 181 NE2 HIS A 10 -4.299 -9.466 5.954 1.00 0.00 N ATOM 0 H HIS A 10 -0.436 -8.404 3.815 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.441 -8.413 1.859 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.927 -7.082 2.781 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -3.707 -8.538 1.832 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -3.347 -10.856 3.258 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.249 -7.331 5.407 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -4.114 -11.586 5.597 1.00 0.00 H new ATOM 190 N GLU A 11 -0.470 -5.784 1.724 1.00 0.00 N ATOM 191 CA GLU A 11 -0.084 -4.575 1.009 1.00 0.00 C ATOM 192 C GLU A 11 1.123 -4.915 0.126 1.00 0.00 C ATOM 193 O GLU A 11 1.955 -5.761 0.487 1.00 0.00 O ATOM 194 CB GLU A 11 0.179 -3.431 2.009 1.00 0.00 C ATOM 195 CG GLU A 11 -1.084 -3.024 2.798 1.00 0.00 C ATOM 196 CD GLU A 11 -0.774 -2.315 4.120 1.00 0.00 C ATOM 197 OE1 GLU A 11 -0.332 -1.156 4.039 1.00 0.00 O ATOM 198 OE2 GLU A 11 -0.975 -2.896 5.224 1.00 0.00 O ATOM 0 H GLU A 11 0.307 -6.201 2.236 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.883 -4.218 0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.956 -3.738 2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.560 -2.564 1.470 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.695 -2.369 2.178 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.678 -3.915 3.003 1.00 0.00 H new ATOM 205 N TRP A 12 1.202 -4.295 -1.052 1.00 0.00 N ATOM 206 CA TRP A 12 2.279 -4.455 -2.032 1.00 0.00 C ATOM 207 C TRP A 12 3.001 -3.123 -2.219 1.00 0.00 C ATOM 208 O TRP A 12 2.473 -2.070 -1.851 1.00 0.00 O ATOM 209 CB TRP A 12 1.715 -4.954 -3.370 1.00 0.00 C ATOM 210 CG TRP A 12 0.690 -4.055 -3.982 1.00 0.00 C ATOM 211 CD1 TRP A 12 -0.644 -4.212 -3.852 1.00 0.00 C ATOM 212 CD2 TRP A 12 0.872 -2.854 -4.793 1.00 0.00 C ATOM 213 NE1 TRP A 12 -1.301 -3.168 -4.454 1.00 0.00 N ATOM 214 CE2 TRP A 12 -0.416 -2.304 -5.044 1.00 0.00 C ATOM 215 CE3 TRP A 12 1.972 -2.171 -5.362 1.00 0.00 C ATOM 216 CZ2 TRP A 12 -0.600 -1.131 -5.771 1.00 0.00 C ATOM 217 CZ3 TRP A 12 1.783 -1.004 -6.126 1.00 0.00 C ATOM 218 CH2 TRP A 12 0.502 -0.472 -6.325 1.00 0.00 C ATOM 0 H TRP A 12 0.486 -3.639 -1.364 1.00 0.00 H new ATOM 0 HA TRP A 12 2.989 -5.196 -1.665 1.00 0.00 H new ATOM 0 HB2 TRP A 12 2.538 -5.078 -4.074 1.00 0.00 H new ATOM 0 HB3 TRP A 12 1.273 -5.939 -3.219 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -1.124 -5.038 -3.348 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.314 -3.051 -4.461 1.00 0.00 H new ATOM 0 HE3 TRP A 12 2.971 -2.550 -5.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.594 -0.730 -5.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 2.638 -0.511 -6.565 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.368 0.434 -6.898 1.00 0.00 H new ATOM 229 N VAL A 13 4.215 -3.173 -2.779 1.00 0.00 N ATOM 230 CA VAL A 13 5.138 -2.048 -2.778 1.00 0.00 C ATOM 231 C VAL A 13 5.873 -2.026 -4.127 1.00 0.00 C ATOM 232 O VAL A 13 6.772 -2.828 -4.346 1.00 0.00 O ATOM 233 CB VAL A 13 6.098 -2.159 -1.564 1.00 0.00 C ATOM 234 CG1 VAL A 13 6.705 -0.788 -1.253 1.00 0.00 C ATOM 235 CG2 VAL A 13 5.430 -2.677 -0.272 1.00 0.00 C ATOM 0 H VAL A 13 4.580 -4.003 -3.246 1.00 0.00 H new ATOM 0 HA VAL A 13 4.610 -1.101 -2.668 1.00 0.00 H new ATOM 0 HB VAL A 13 6.853 -2.887 -1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.378 -0.873 -0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.261 -0.431 -2.120 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.908 -0.082 -1.018 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.170 -2.724 0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.626 -2.001 0.018 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.021 -3.672 -0.447 1.00 0.00 H new ATOM 245 N SER A 14 5.478 -1.168 -5.072 1.00 0.00 N ATOM 246 CA SER A 14 6.186 -0.974 -6.345 1.00 0.00 C ATOM 247 C SER A 14 7.354 -0.018 -6.124 1.00 0.00 C ATOM 248 O SER A 14 7.164 1.184 -6.267 1.00 0.00 O ATOM 249 CB SER A 14 5.269 -0.316 -7.383 1.00 0.00 C ATOM 250 OG SER A 14 4.654 -1.228 -8.269 1.00 0.00 O ATOM 0 H SER A 14 4.649 -0.581 -4.976 1.00 0.00 H new ATOM 0 HA SER A 14 6.518 -1.950 -6.698 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.494 0.247 -6.863 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.850 0.402 -7.962 1.00 0.00 H new ATOM 0 HG SER A 14 3.734 -1.398 -7.977 1.00 0.00 H new ATOM 256 N ILE A 15 8.545 -0.488 -5.766 1.00 0.00 N ATOM 257 CA ILE A 15 9.726 0.365 -5.665 1.00 0.00 C ATOM 258 C ILE A 15 10.181 0.692 -7.083 1.00 0.00 C ATOM 259 O ILE A 15 10.785 -0.139 -7.760 1.00 0.00 O ATOM 260 CB ILE A 15 10.830 -0.295 -4.814 1.00 0.00 C ATOM 261 CG1 ILE A 15 10.337 -0.480 -3.367 1.00 0.00 C ATOM 262 CG2 ILE A 15 12.141 0.508 -4.812 1.00 0.00 C ATOM 263 CD1 ILE A 15 9.814 -1.888 -3.102 1.00 0.00 C ATOM 0 H ILE A 15 8.719 -1.467 -5.538 1.00 0.00 H new ATOM 0 HA ILE A 15 9.487 1.293 -5.145 1.00 0.00 H new ATOM 0 HB ILE A 15 11.044 -1.263 -5.268 1.00 0.00 H new ATOM 0 HG12 ILE A 15 11.154 -0.264 -2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.547 0.242 -3.161 1.00 0.00 H new ATOM 0 HG21 ILE A 15 12.881 -0.005 -4.197 1.00 0.00 H new ATOM 0 HG22 ILE A 15 12.515 0.596 -5.832 1.00 0.00 H new ATOM 0 HG23 ILE A 15 11.958 1.503 -4.406 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.480 -1.963 -2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.978 -2.097 -3.770 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.610 -2.611 -3.279 1.00 0.00 H new ATOM 275 N GLU A 16 9.904 1.913 -7.532 1.00 0.00 N ATOM 276 CA GLU A 16 10.498 2.452 -8.741 1.00 0.00 C ATOM 277 C GLU A 16 11.900 2.963 -8.390 1.00 0.00 C ATOM 278 O GLU A 16 12.638 2.285 -7.674 1.00 0.00 O ATOM 279 CB GLU A 16 9.544 3.493 -9.351 1.00 0.00 C ATOM 280 CG GLU A 16 9.869 3.949 -10.784 1.00 0.00 C ATOM 281 CD GLU A 16 10.530 2.932 -11.730 1.00 0.00 C ATOM 282 OE1 GLU A 16 10.139 1.736 -11.769 1.00 0.00 O ATOM 283 OE2 GLU A 16 11.443 3.368 -12.465 1.00 0.00 O ATOM 0 H GLU A 16 9.261 2.552 -7.065 1.00 0.00 H new ATOM 0 HA GLU A 16 10.633 1.703 -9.522 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.535 3.081 -9.342 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.535 4.371 -8.705 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.941 4.283 -11.248 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.523 4.819 -10.718 1.00 0.00 H new ATOM 290 N ASP A 17 12.316 4.116 -8.910 1.00 0.00 N ATOM 291 CA ASP A 17 13.683 4.588 -8.752 1.00 0.00 C ATOM 292 C ASP A 17 13.957 4.865 -7.275 1.00 0.00 C ATOM 293 O ASP A 17 14.786 4.207 -6.646 1.00 0.00 O ATOM 294 CB ASP A 17 13.940 5.807 -9.645 1.00 0.00 C ATOM 295 CG ASP A 17 15.343 5.737 -10.228 1.00 0.00 C ATOM 296 OD1 ASP A 17 16.328 5.646 -9.472 1.00 0.00 O ATOM 297 OD2 ASP A 17 15.434 5.727 -11.483 1.00 0.00 O ATOM 0 H ASP A 17 11.717 4.743 -9.448 1.00 0.00 H new ATOM 0 HA ASP A 17 14.383 3.818 -9.077 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.204 5.841 -10.449 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.823 6.723 -9.066 1.00 0.00 H new ATOM 302 N LYS A 18 13.201 5.807 -6.702 1.00 0.00 N ATOM 303 CA LYS A 18 13.352 6.247 -5.311 1.00 0.00 C ATOM 304 C LYS A 18 12.018 6.432 -4.596 1.00 0.00 C ATOM 305 O LYS A 18 11.998 6.834 -3.433 1.00 0.00 O ATOM 306 CB LYS A 18 14.152 7.559 -5.244 1.00 0.00 C ATOM 307 CG LYS A 18 15.253 7.726 -6.311 1.00 0.00 C ATOM 308 CD LYS A 18 16.301 8.742 -5.854 1.00 0.00 C ATOM 309 CE LYS A 18 17.548 8.095 -5.240 1.00 0.00 C ATOM 310 NZ LYS A 18 17.281 6.944 -4.350 1.00 0.00 N ATOM 0 H LYS A 18 12.455 6.293 -7.200 1.00 0.00 H new ATOM 0 HA LYS A 18 13.892 5.452 -4.797 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.456 8.393 -5.333 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.612 7.632 -4.259 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.730 6.765 -6.501 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.808 8.053 -7.251 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.600 9.353 -6.706 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.851 9.413 -5.122 1.00 0.00 H new ATOM 0 HE2 LYS A 18 18.203 7.767 -6.047 1.00 0.00 H new ATOM 0 HE3 LYS A 18 18.092 8.853 -4.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.169 6.637 -3.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.602 7.225 -3.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.884 6.160 -4.906 1.00 0.00 H new ATOM 324 N VAL A 19 10.911 6.140 -5.273 1.00 0.00 N ATOM 325 CA VAL A 19 9.574 6.241 -4.728 1.00 0.00 C ATOM 326 C VAL A 19 8.938 4.872 -4.903 1.00 0.00 C ATOM 327 O VAL A 19 9.034 4.288 -5.988 1.00 0.00 O ATOM 328 CB VAL A 19 8.804 7.383 -5.422 1.00 0.00 C ATOM 329 CG1 VAL A 19 7.300 7.370 -5.130 1.00 0.00 C ATOM 330 CG2 VAL A 19 9.332 8.752 -4.970 1.00 0.00 C ATOM 0 H VAL A 19 10.927 5.819 -6.241 1.00 0.00 H new ATOM 0 HA VAL A 19 9.567 6.500 -3.669 1.00 0.00 H new ATOM 0 HB VAL A 19 8.962 7.220 -6.488 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.821 8.200 -5.650 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.870 6.430 -5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.137 7.471 -4.057 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.774 9.541 -5.473 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.209 8.851 -3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.389 8.837 -5.224 1.00 0.00 H new ATOM 340 N ALA A 20 8.318 4.356 -3.842 1.00 0.00 N ATOM 341 CA ALA A 20 7.480 3.174 -3.922 1.00 0.00 C ATOM 342 C ALA A 20 6.016 3.597 -3.961 1.00 0.00 C ATOM 343 O ALA A 20 5.624 4.496 -3.212 1.00 0.00 O ATOM 344 CB ALA A 20 7.739 2.234 -2.745 1.00 0.00 C ATOM 0 H ALA A 20 8.387 4.751 -2.904 1.00 0.00 H new ATOM 0 HA ALA A 20 7.724 2.630 -4.834 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.097 1.357 -2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.783 1.921 -2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.522 2.752 -1.811 1.00 0.00 H new ATOM 350 N THR A 21 5.206 2.930 -4.779 1.00 0.00 N ATOM 351 CA THR A 21 3.748 2.981 -4.657 1.00 0.00 C ATOM 352 C THR A 21 3.332 1.938 -3.632 1.00 0.00 C ATOM 353 O THR A 21 3.877 0.833 -3.648 1.00 0.00 O ATOM 354 CB THR A 21 3.060 2.714 -6.012 1.00 0.00 C ATOM 355 OG1 THR A 21 3.675 3.453 -7.048 1.00 0.00 O ATOM 356 CG2 THR A 21 1.567 3.056 -5.978 1.00 0.00 C ATOM 0 H THR A 21 5.538 2.341 -5.543 1.00 0.00 H new ATOM 0 HA THR A 21 3.440 3.976 -4.337 1.00 0.00 H new ATOM 0 HB THR A 21 3.169 1.647 -6.206 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.222 3.266 -7.897 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.125 2.852 -6.953 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.072 2.448 -5.221 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.441 4.111 -5.736 1.00 0.00 H new ATOM 364 N VAL A 22 2.374 2.290 -2.778 1.00 0.00 N ATOM 365 CA VAL A 22 1.691 1.398 -1.857 1.00 0.00 C ATOM 366 C VAL A 22 0.228 1.305 -2.302 1.00 0.00 C ATOM 367 O VAL A 22 -0.466 2.320 -2.431 1.00 0.00 O ATOM 368 CB VAL A 22 1.816 1.918 -0.408 1.00 0.00 C ATOM 369 CG1 VAL A 22 1.340 0.857 0.598 1.00 0.00 C ATOM 370 CG2 VAL A 22 3.261 2.310 -0.056 1.00 0.00 C ATOM 0 H VAL A 22 2.040 3.251 -2.710 1.00 0.00 H new ATOM 0 HA VAL A 22 2.141 0.406 -1.872 1.00 0.00 H new ATOM 0 HB VAL A 22 1.185 2.805 -0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.438 1.247 1.611 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.296 0.613 0.402 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.948 -0.041 0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.300 2.670 0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.910 1.440 -0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.598 3.098 -0.729 1.00 0.00 H new ATOM 380 N GLY A 23 -0.252 0.082 -2.503 1.00 0.00 N ATOM 381 CA GLY A 23 -1.666 -0.245 -2.520 1.00 0.00 C ATOM 382 C GLY A 23 -1.867 -1.512 -1.694 1.00 0.00 C ATOM 383 O GLY A 23 -0.902 -2.193 -1.322 1.00 0.00 O ATOM 0 H GLY A 23 0.350 -0.726 -2.662 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.252 0.576 -2.107 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.009 -0.399 -3.543 1.00 0.00 H new ATOM 387 N ILE A 24 -3.121 -1.841 -1.395 1.00 0.00 N ATOM 388 CA ILE A 24 -3.452 -3.116 -0.776 1.00 0.00 C ATOM 389 C ILE A 24 -3.611 -4.165 -1.885 1.00 0.00 C ATOM 390 O ILE A 24 -3.815 -3.816 -3.048 1.00 0.00 O ATOM 391 CB ILE A 24 -4.668 -2.989 0.157 1.00 0.00 C ATOM 392 CG1 ILE A 24 -5.951 -2.478 -0.525 1.00 0.00 C ATOM 393 CG2 ILE A 24 -4.341 -2.163 1.413 1.00 0.00 C ATOM 394 CD1 ILE A 24 -7.212 -2.835 0.282 1.00 0.00 C ATOM 0 H ILE A 24 -3.925 -1.239 -1.573 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.646 -3.449 -0.122 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.890 -4.012 0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.892 -1.396 -0.646 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.026 -2.907 -1.524 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.226 -2.097 2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.535 -2.645 1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.030 -1.161 1.119 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.094 -2.456 -0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.287 -3.918 0.380 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.150 -2.384 1.272 1.00 0.00 H new ATOM 406 N THR A 25 -3.442 -5.444 -1.561 1.00 0.00 N ATOM 407 CA THR A 25 -3.490 -6.540 -2.529 1.00 0.00 C ATOM 408 C THR A 25 -4.940 -6.974 -2.825 1.00 0.00 C ATOM 409 O THR A 25 -5.894 -6.457 -2.234 1.00 0.00 O ATOM 410 CB THR A 25 -2.631 -7.694 -1.988 1.00 0.00 C ATOM 411 OG1 THR A 25 -3.132 -8.186 -0.760 1.00 0.00 O ATOM 412 CG2 THR A 25 -1.162 -7.292 -1.779 1.00 0.00 C ATOM 0 H THR A 25 -3.265 -5.754 -0.606 1.00 0.00 H new ATOM 0 HA THR A 25 -3.084 -6.210 -3.486 1.00 0.00 H new ATOM 0 HB THR A 25 -2.681 -8.471 -2.751 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.564 -8.920 -0.445 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.602 -8.145 -1.396 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.733 -6.974 -2.729 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.108 -6.472 -1.063 1.00 0.00 H new ATOM 420 N ASN A 26 -5.144 -7.960 -3.711 1.00 0.00 N ATOM 421 CA ASN A 26 -6.490 -8.473 -3.988 1.00 0.00 C ATOM 422 C ASN A 26 -7.103 -9.139 -2.753 1.00 0.00 C ATOM 423 O ASN A 26 -8.279 -8.942 -2.461 1.00 0.00 O ATOM 424 CB ASN A 26 -6.523 -9.442 -5.182 1.00 0.00 C ATOM 425 CG ASN A 26 -7.375 -8.886 -6.318 1.00 0.00 C ATOM 426 OD1 ASN A 26 -6.856 -8.487 -7.354 1.00 0.00 O ATOM 427 ND2 ASN A 26 -8.686 -8.799 -6.147 1.00 0.00 N ATOM 0 H ASN A 26 -4.401 -8.413 -4.242 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.092 -7.604 -4.254 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.508 -9.620 -5.538 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.922 -10.405 -4.862 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.270 -8.398 -6.880 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -9.111 -9.133 -5.282 1.00 0.00 H new ATOM 434 N HIS A 27 -6.330 -9.887 -1.968 1.00 0.00 N ATOM 435 CA HIS A 27 -6.843 -10.490 -0.735 1.00 0.00 C ATOM 436 C HIS A 27 -7.323 -9.427 0.257 1.00 0.00 C ATOM 437 O HIS A 27 -8.174 -9.691 1.101 1.00 0.00 O ATOM 438 CB HIS A 27 -5.746 -11.336 -0.090 1.00 0.00 C ATOM 439 CG HIS A 27 -6.215 -12.135 1.098 1.00 0.00 C ATOM 440 ND1 HIS A 27 -6.632 -13.450 1.072 1.00 0.00 N ATOM 441 CD2 HIS A 27 -6.304 -11.685 2.387 1.00 0.00 C ATOM 442 CE1 HIS A 27 -6.953 -13.791 2.331 1.00 0.00 C ATOM 443 NE2 HIS A 27 -6.773 -12.735 3.148 1.00 0.00 N ATOM 0 H HIS A 27 -5.349 -10.091 -2.161 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.697 -11.115 -0.994 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.339 -12.018 -0.837 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.932 -10.682 0.222 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.054 -10.696 2.741 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -7.303 -14.765 2.641 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.952 -12.716 4.152 1.00 0.00 H new ATOM 452 N ALA A 28 -6.776 -8.217 0.192 1.00 0.00 N ATOM 453 CA ALA A 28 -7.216 -7.136 1.043 1.00 0.00 C ATOM 454 C ALA A 28 -8.616 -6.684 0.635 1.00 0.00 C ATOM 455 O ALA A 28 -9.530 -6.736 1.459 1.00 0.00 O ATOM 456 CB ALA A 28 -6.198 -6.019 0.944 1.00 0.00 C ATOM 0 H ALA A 28 -6.022 -7.968 -0.449 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.283 -7.458 2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.507 -5.188 1.578 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.225 -6.384 1.272 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.129 -5.680 -0.090 1.00 0.00 H new ATOM 462 N GLN A 29 -8.798 -6.296 -0.640 1.00 0.00 N ATOM 463 CA GLN A 29 -10.090 -5.801 -1.125 1.00 0.00 C ATOM 464 C GLN A 29 -11.208 -6.797 -0.860 1.00 0.00 C ATOM 465 O GLN A 29 -12.332 -6.386 -0.596 1.00 0.00 O ATOM 466 CB GLN A 29 -10.052 -5.357 -2.600 1.00 0.00 C ATOM 467 CG GLN A 29 -9.733 -6.359 -3.711 1.00 0.00 C ATOM 468 CD GLN A 29 -10.847 -7.344 -4.050 1.00 0.00 C ATOM 469 OE1 GLN A 29 -11.854 -7.001 -4.647 1.00 0.00 O ATOM 470 NE2 GLN A 29 -10.680 -8.612 -3.721 1.00 0.00 N ATOM 0 H GLN A 29 -8.065 -6.317 -1.349 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.308 -4.902 -0.548 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.026 -4.924 -2.829 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.320 -4.553 -2.674 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.476 -5.804 -4.613 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.847 -6.925 -3.422 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.839 -8.903 -3.222 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.392 -9.300 -3.966 1.00 0.00 H new ATOM 479 N GLU A 30 -10.893 -8.095 -0.860 1.00 0.00 N ATOM 480 CA GLU A 30 -11.873 -9.150 -0.761 1.00 0.00 C ATOM 481 C GLU A 30 -12.662 -9.030 0.547 1.00 0.00 C ATOM 482 O GLU A 30 -13.884 -9.156 0.560 1.00 0.00 O ATOM 483 CB GLU A 30 -11.137 -10.486 -0.976 1.00 0.00 C ATOM 484 CG GLU A 30 -10.834 -11.325 0.259 1.00 0.00 C ATOM 485 CD GLU A 30 -9.974 -12.580 0.056 1.00 0.00 C ATOM 486 OE1 GLU A 30 -9.468 -12.850 -1.059 1.00 0.00 O ATOM 487 OE2 GLU A 30 -9.801 -13.305 1.067 1.00 0.00 O ATOM 0 H GLU A 30 -9.934 -8.435 -0.930 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.640 -9.081 -1.532 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.733 -11.093 -1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.194 -10.274 -1.479 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.335 -10.687 0.988 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.782 -11.632 0.701 1.00 0.00 H new ATOM 494 N GLN A 31 -11.945 -8.738 1.631 1.00 0.00 N ATOM 495 CA GLN A 31 -12.497 -8.567 2.972 1.00 0.00 C ATOM 496 C GLN A 31 -13.131 -7.185 3.194 1.00 0.00 C ATOM 497 O GLN A 31 -13.971 -7.051 4.091 1.00 0.00 O ATOM 498 CB GLN A 31 -11.416 -8.805 4.041 1.00 0.00 C ATOM 499 CG GLN A 31 -10.700 -10.164 3.951 1.00 0.00 C ATOM 500 CD GLN A 31 -11.637 -11.379 3.966 1.00 0.00 C ATOM 501 OE1 GLN A 31 -12.727 -11.362 4.539 1.00 0.00 O ATOM 502 NE2 GLN A 31 -11.266 -12.481 3.332 1.00 0.00 N ATOM 0 H GLN A 31 -10.934 -8.610 1.598 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.288 -9.311 3.066 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.671 -8.013 3.965 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.875 -8.718 5.026 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.108 -10.189 3.036 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.002 -10.249 4.784 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.367 -12.515 2.851 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.879 -13.296 3.324 1.00 0.00 H new ATOM 511 N LEU A 32 -12.736 -6.145 2.448 1.00 0.00 N ATOM 512 CA LEU A 32 -13.355 -4.818 2.526 1.00 0.00 C ATOM 513 C LEU A 32 -14.678 -4.807 1.777 1.00 0.00 C ATOM 514 O LEU A 32 -15.644 -4.233 2.286 1.00 0.00 O ATOM 515 CB LEU A 32 -12.434 -3.754 1.908 1.00 0.00 C ATOM 516 CG LEU A 32 -11.330 -3.214 2.836 1.00 0.00 C ATOM 517 CD1 LEU A 32 -11.835 -2.016 3.656 1.00 0.00 C ATOM 518 CD2 LEU A 32 -10.729 -4.248 3.790 1.00 0.00 C ATOM 0 H LEU A 32 -11.975 -6.202 1.771 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.523 -4.590 3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.964 -4.177 1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.047 -2.916 1.576 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.532 -2.912 2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.035 -1.655 4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.145 -1.218 2.981 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.684 -2.325 4.266 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.961 -3.775 4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.512 -4.647 4.434 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.285 -5.060 3.214 1.00 0.00 H new ATOM 530 N GLY A 33 -14.714 -5.434 0.605 1.00 0.00 N ATOM 531 CA GLY A 33 -15.816 -5.340 -0.322 1.00 0.00 C ATOM 532 C GLY A 33 -15.891 -3.950 -0.939 1.00 0.00 C ATOM 533 O GLY A 33 -14.910 -3.197 -0.971 1.00 0.00 O ATOM 0 H GLY A 33 -13.957 -6.032 0.274 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.699 -6.085 -1.109 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.750 -5.564 0.193 1.00 0.00 H new ATOM 537 N ASP A 34 -17.083 -3.639 -1.438 1.00 0.00 N ATOM 538 CA ASP A 34 -17.483 -2.359 -2.005 1.00 0.00 C ATOM 539 C ASP A 34 -17.004 -1.241 -1.070 1.00 0.00 C ATOM 540 O ASP A 34 -17.324 -1.243 0.125 1.00 0.00 O ATOM 541 CB ASP A 34 -19.013 -2.326 -2.172 1.00 0.00 C ATOM 542 CG ASP A 34 -19.533 -3.182 -3.330 1.00 0.00 C ATOM 543 OD1 ASP A 34 -19.498 -2.679 -4.482 1.00 0.00 O ATOM 544 OD2 ASP A 34 -19.999 -4.320 -3.083 1.00 0.00 O ATOM 0 H ASP A 34 -17.843 -4.319 -1.458 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.034 -2.217 -2.988 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -19.476 -2.666 -1.246 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.329 -1.294 -2.326 1.00 0.00 H new ATOM 549 N VAL A 35 -16.197 -0.299 -1.579 1.00 0.00 N ATOM 550 CA VAL A 35 -15.640 0.775 -0.758 1.00 0.00 C ATOM 551 C VAL A 35 -16.085 2.147 -1.223 1.00 0.00 C ATOM 552 O VAL A 35 -16.582 2.339 -2.327 1.00 0.00 O ATOM 553 CB VAL A 35 -14.174 0.549 -0.373 1.00 0.00 C ATOM 554 CG1 VAL A 35 -13.035 0.419 -1.354 1.00 0.00 C ATOM 555 CG2 VAL A 35 -13.718 1.410 0.795 1.00 0.00 C ATOM 0 H VAL A 35 -15.917 -0.263 -2.559 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.093 0.738 0.233 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.339 -0.505 -0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.103 0.265 -0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.217 -0.431 -2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.962 1.329 -1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.671 1.200 1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.830 2.463 0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.325 1.185 1.672 1.00 0.00 H new ATOM 565 N VAL A 36 -15.999 3.072 -0.285 1.00 0.00 N ATOM 566 CA VAL A 36 -16.833 4.241 -0.165 1.00 0.00 C ATOM 567 C VAL A 36 -16.010 5.377 0.415 1.00 0.00 C ATOM 568 O VAL A 36 -16.340 6.533 0.154 1.00 0.00 O ATOM 569 CB VAL A 36 -18.028 3.938 0.766 1.00 0.00 C ATOM 570 CG1 VAL A 36 -19.269 3.597 -0.055 1.00 0.00 C ATOM 571 CG2 VAL A 36 -17.807 2.821 1.797 1.00 0.00 C ATOM 0 H VAL A 36 -15.300 3.018 0.456 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.212 4.523 -1.147 1.00 0.00 H new ATOM 0 HB VAL A 36 -18.155 4.857 1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -20.102 3.386 0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -19.524 4.441 -0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -19.068 2.721 -0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -18.709 2.694 2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.580 1.888 1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.974 3.087 2.448 1.00 0.00 H new ATOM 581 N TYR A 37 -14.960 5.059 1.179 1.00 0.00 N ATOM 582 CA TYR A 37 -14.003 6.070 1.629 1.00 0.00 C ATOM 583 C TYR A 37 -12.620 5.470 1.820 1.00 0.00 C ATOM 584 O TYR A 37 -12.493 4.281 2.116 1.00 0.00 O ATOM 585 CB TYR A 37 -14.462 6.727 2.935 1.00 0.00 C ATOM 586 CG TYR A 37 -13.527 7.832 3.405 1.00 0.00 C ATOM 587 CD1 TYR A 37 -13.312 8.963 2.593 1.00 0.00 C ATOM 588 CD2 TYR A 37 -12.797 7.688 4.600 1.00 0.00 C ATOM 589 CE1 TYR A 37 -12.378 9.943 2.971 1.00 0.00 C ATOM 590 CE2 TYR A 37 -11.857 8.663 4.982 1.00 0.00 C ATOM 591 CZ TYR A 37 -11.645 9.802 4.174 1.00 0.00 C ATOM 592 OH TYR A 37 -10.753 10.757 4.565 1.00 0.00 O ATOM 0 H TYR A 37 -14.753 4.112 1.497 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.952 6.832 0.851 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -15.462 7.139 2.796 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.536 5.966 3.712 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -13.868 9.078 1.674 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -12.959 6.824 5.227 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -12.219 10.806 2.342 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.296 8.540 5.896 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.343 10.494 5.415 1.00 0.00 H new ATOM 602 N VAL A 38 -11.599 6.309 1.653 1.00 0.00 N ATOM 603 CA VAL A 38 -10.193 5.988 1.786 1.00 0.00 C ATOM 604 C VAL A 38 -9.536 7.226 2.357 1.00 0.00 C ATOM 605 O VAL A 38 -9.723 8.340 1.862 1.00 0.00 O ATOM 606 CB VAL A 38 -9.608 5.598 0.412 1.00 0.00 C ATOM 607 CG1 VAL A 38 -8.127 5.227 0.522 1.00 0.00 C ATOM 608 CG2 VAL A 38 -10.342 4.492 -0.369 1.00 0.00 C ATOM 0 H VAL A 38 -11.748 7.287 1.407 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.022 5.134 2.442 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.752 6.507 -0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.745 4.957 -0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.566 6.078 0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.013 4.381 1.199 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.830 4.314 -1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.348 3.574 0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.368 4.804 -0.565 1.00 0.00 H new ATOM 618 N ASP A 39 -8.799 7.016 3.437 1.00 0.00 N ATOM 619 CA ASP A 39 -7.943 8.003 4.042 1.00 0.00 C ATOM 620 C ASP A 39 -6.667 8.120 3.207 1.00 0.00 C ATOM 621 O ASP A 39 -6.108 7.114 2.757 1.00 0.00 O ATOM 622 CB ASP A 39 -7.647 7.596 5.498 1.00 0.00 C ATOM 623 CG ASP A 39 -6.344 8.170 6.062 1.00 0.00 C ATOM 624 OD1 ASP A 39 -6.159 9.408 6.040 1.00 0.00 O ATOM 625 OD2 ASP A 39 -5.515 7.367 6.536 1.00 0.00 O ATOM 0 H ASP A 39 -8.786 6.121 3.926 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.426 8.980 4.066 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.475 7.919 6.129 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.607 6.508 5.558 1.00 0.00 H new ATOM 630 N LEU A 40 -6.213 9.347 2.960 1.00 0.00 N ATOM 631 CA LEU A 40 -5.005 9.617 2.202 1.00 0.00 C ATOM 632 C LEU A 40 -4.151 10.587 3.013 1.00 0.00 C ATOM 633 O LEU A 40 -4.664 11.629 3.425 1.00 0.00 O ATOM 634 CB LEU A 40 -5.312 10.219 0.828 1.00 0.00 C ATOM 635 CG LEU A 40 -6.290 9.446 -0.079 1.00 0.00 C ATOM 636 CD1 LEU A 40 -6.571 10.323 -1.295 1.00 0.00 C ATOM 637 CD2 LEU A 40 -5.755 8.094 -0.571 1.00 0.00 C ATOM 0 H LEU A 40 -6.685 10.190 3.288 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.478 8.679 2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.713 11.221 0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.370 10.331 0.291 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.180 9.228 0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.262 9.808 -1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.014 11.264 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.638 10.524 -1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.503 7.615 -1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.842 8.251 -1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.539 7.455 0.285 1.00 0.00 H new ATOM 649 N PRO A 41 -2.866 10.271 3.234 1.00 0.00 N ATOM 650 CA PRO A 41 -1.985 11.052 4.082 1.00 0.00 C ATOM 651 C PRO A 41 -1.663 12.431 3.487 1.00 0.00 C ATOM 652 O PRO A 41 -2.165 12.820 2.428 1.00 0.00 O ATOM 653 CB PRO A 41 -0.754 10.181 4.298 1.00 0.00 C ATOM 654 CG PRO A 41 -0.762 9.127 3.194 1.00 0.00 C ATOM 655 CD PRO A 41 -2.194 9.108 2.688 1.00 0.00 C ATOM 0 HA PRO A 41 -2.456 11.296 5.034 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.156 10.780 4.255 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.780 9.711 5.281 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.064 9.383 2.397 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.464 8.151 3.577 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.216 9.129 1.598 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.698 8.193 2.999 1.00 0.00 H new ATOM 663 N GLU A 42 -0.843 13.216 4.182 1.00 0.00 N ATOM 664 CA GLU A 42 -0.283 14.443 3.637 1.00 0.00 C ATOM 665 C GLU A 42 0.920 14.090 2.748 1.00 0.00 C ATOM 666 O GLU A 42 1.731 13.239 3.119 1.00 0.00 O ATOM 667 CB GLU A 42 0.112 15.365 4.793 1.00 0.00 C ATOM 668 CG GLU A 42 0.507 16.753 4.291 1.00 0.00 C ATOM 669 CD GLU A 42 1.170 17.596 5.386 1.00 0.00 C ATOM 670 OE1 GLU A 42 0.817 17.448 6.583 1.00 0.00 O ATOM 671 OE2 GLU A 42 1.993 18.479 5.061 1.00 0.00 O ATOM 0 H GLU A 42 -0.550 13.016 5.138 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.014 14.968 3.022 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.721 15.453 5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.944 14.925 5.343 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.191 16.652 3.448 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.379 17.270 3.923 1.00 0.00 H new ATOM 678 N VAL A 43 1.077 14.784 1.618 1.00 0.00 N ATOM 679 CA VAL A 43 2.090 14.606 0.565 1.00 0.00 C ATOM 680 C VAL A 43 3.560 14.859 0.995 1.00 0.00 C ATOM 681 O VAL A 43 4.446 14.969 0.159 1.00 0.00 O ATOM 682 CB VAL A 43 1.630 15.456 -0.656 1.00 0.00 C ATOM 683 CG1 VAL A 43 2.367 16.793 -0.805 1.00 0.00 C ATOM 684 CG2 VAL A 43 1.742 14.689 -1.976 1.00 0.00 C ATOM 0 H VAL A 43 0.445 15.553 1.393 1.00 0.00 H new ATOM 0 HA VAL A 43 2.137 13.550 0.300 1.00 0.00 H new ATOM 0 HB VAL A 43 0.584 15.672 -0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.987 17.322 -1.679 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.204 17.399 0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.434 16.608 -0.928 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.409 15.325 -2.796 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.779 14.398 -2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.117 13.797 -1.933 1.00 0.00 H new ATOM 694 N GLY A 44 3.848 14.960 2.283 1.00 0.00 N ATOM 695 CA GLY A 44 5.182 15.146 2.855 1.00 0.00 C ATOM 696 C GLY A 44 5.306 14.477 4.224 1.00 0.00 C ATOM 697 O GLY A 44 6.256 14.729 4.963 1.00 0.00 O ATOM 0 H GLY A 44 3.123 14.913 2.999 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.930 14.732 2.178 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.393 16.211 2.950 1.00 0.00 H new ATOM 701 N ARG A 45 4.308 13.681 4.628 1.00 0.00 N ATOM 702 CA ARG A 45 4.236 13.148 5.983 1.00 0.00 C ATOM 703 C ARG A 45 5.294 12.081 6.180 1.00 0.00 C ATOM 704 O ARG A 45 5.455 11.218 5.325 1.00 0.00 O ATOM 705 CB ARG A 45 2.843 12.569 6.200 1.00 0.00 C ATOM 706 CG ARG A 45 2.615 12.068 7.630 1.00 0.00 C ATOM 707 CD ARG A 45 1.107 12.109 7.868 1.00 0.00 C ATOM 708 NE ARG A 45 0.701 11.667 9.203 1.00 0.00 N ATOM 709 CZ ARG A 45 0.804 12.387 10.323 1.00 0.00 C ATOM 710 NH1 ARG A 45 1.247 13.641 10.283 1.00 0.00 N ATOM 711 NH2 ARG A 45 0.474 11.836 11.484 1.00 0.00 N ATOM 0 H ARG A 45 3.536 13.394 4.026 1.00 0.00 H new ATOM 0 HA ARG A 45 4.420 13.941 6.708 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.099 13.331 5.966 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.686 11.745 5.504 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.000 11.056 7.752 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.139 12.697 8.350 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.753 13.128 7.711 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.615 11.482 7.124 1.00 0.00 H new ATOM 0 HE ARG A 45 0.306 10.730 9.285 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.511 14.060 9.392 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.322 14.183 11.144 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.145 10.871 11.515 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.549 12.377 12.345 1.00 0.00 H new ATOM 725 N GLU A 46 5.979 12.071 7.316 1.00 0.00 N ATOM 726 CA GLU A 46 6.884 10.984 7.628 1.00 0.00 C ATOM 727 C GLU A 46 6.129 9.841 8.272 1.00 0.00 C ATOM 728 O GLU A 46 5.136 10.055 8.977 1.00 0.00 O ATOM 729 CB GLU A 46 7.936 11.471 8.594 1.00 0.00 C ATOM 730 CG GLU A 46 8.872 12.436 7.867 1.00 0.00 C ATOM 731 CD GLU A 46 10.331 12.328 8.321 1.00 0.00 C ATOM 732 OE1 GLU A 46 10.744 11.302 8.906 1.00 0.00 O ATOM 733 OE2 GLU A 46 11.118 13.262 8.034 1.00 0.00 O ATOM 0 H GLU A 46 5.923 12.799 8.028 1.00 0.00 H new ATOM 0 HA GLU A 46 7.347 10.638 6.704 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.466 11.969 9.442 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.500 10.628 8.992 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.818 12.245 6.795 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.524 13.457 8.026 1.00 0.00 H new ATOM 740 N VAL A 47 6.611 8.623 8.047 1.00 0.00 N ATOM 741 CA VAL A 47 5.940 7.395 8.437 1.00 0.00 C ATOM 742 C VAL A 47 6.992 6.320 8.784 1.00 0.00 C ATOM 743 O VAL A 47 8.203 6.551 8.682 1.00 0.00 O ATOM 744 CB VAL A 47 4.938 6.994 7.321 1.00 0.00 C ATOM 745 CG1 VAL A 47 3.967 8.132 6.917 1.00 0.00 C ATOM 746 CG2 VAL A 47 5.629 6.507 6.039 1.00 0.00 C ATOM 0 H VAL A 47 7.502 8.462 7.576 1.00 0.00 H new ATOM 0 HA VAL A 47 5.348 7.525 9.343 1.00 0.00 H new ATOM 0 HB VAL A 47 4.373 6.180 7.775 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.298 7.778 6.133 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.381 8.436 7.785 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.538 8.984 6.549 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.875 6.242 5.298 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.263 7.300 5.644 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.240 5.633 6.264 1.00 0.00 H new ATOM 756 N LYS A 48 6.557 5.133 9.219 1.00 0.00 N ATOM 757 CA LYS A 48 7.399 3.995 9.568 1.00 0.00 C ATOM 758 C LYS A 48 6.944 2.767 8.793 1.00 0.00 C ATOM 759 O LYS A 48 5.846 2.758 8.250 1.00 0.00 O ATOM 760 CB LYS A 48 7.297 3.707 11.068 1.00 0.00 C ATOM 761 CG LYS A 48 8.032 4.726 11.938 1.00 0.00 C ATOM 762 CD LYS A 48 8.144 4.150 13.347 1.00 0.00 C ATOM 763 CE LYS A 48 8.439 5.195 14.420 1.00 0.00 C ATOM 764 NZ LYS A 48 8.387 4.556 15.751 1.00 0.00 N ATOM 0 H LYS A 48 5.564 4.935 9.341 1.00 0.00 H new ATOM 0 HA LYS A 48 8.433 4.230 9.315 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.246 3.688 11.355 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.700 2.714 11.267 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.022 4.931 11.531 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.492 5.673 11.955 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.213 3.641 13.596 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.932 3.397 13.360 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.422 5.636 14.254 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.712 6.005 14.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.588 5.265 16.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.440 4.155 15.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.097 3.797 15.800 1.00 0.00 H new ATOM 778 N LYS A 49 7.719 1.687 8.854 1.00 0.00 N ATOM 779 CA LYS A 49 7.425 0.372 8.274 1.00 0.00 C ATOM 780 C LYS A 49 6.252 -0.403 8.884 1.00 0.00 C ATOM 781 O LYS A 49 6.091 -1.599 8.631 1.00 0.00 O ATOM 782 CB LYS A 49 8.705 -0.467 8.370 1.00 0.00 C ATOM 783 CG LYS A 49 9.081 -0.812 9.822 1.00 0.00 C ATOM 784 CD LYS A 49 10.319 -1.708 9.890 1.00 0.00 C ATOM 785 CE LYS A 49 10.637 -1.959 11.367 1.00 0.00 C ATOM 786 NZ LYS A 49 11.830 -2.807 11.533 1.00 0.00 N ATOM 0 H LYS A 49 8.619 1.703 9.335 1.00 0.00 H new ATOM 0 HA LYS A 49 7.102 0.559 7.250 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.573 -1.389 7.804 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.527 0.077 7.906 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.266 0.107 10.378 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.242 -1.313 10.305 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.137 -2.650 9.373 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.164 -1.230 9.394 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.795 -1.006 11.872 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.782 -2.436 11.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.013 -2.954 12.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.670 -3.726 11.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.651 -2.340 11.097 1.00 0.00 H new ATOM 800 N GLY A 50 5.460 0.242 9.720 1.00 0.00 N ATOM 801 CA GLY A 50 4.254 -0.317 10.294 1.00 0.00 C ATOM 802 C GLY A 50 3.449 0.845 10.819 1.00 0.00 C ATOM 803 O GLY A 50 3.345 1.021 12.031 1.00 0.00 O ATOM 0 H GLY A 50 5.645 1.197 10.026 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.690 -0.873 9.545 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.494 -1.016 11.095 1.00 0.00 H new ATOM 807 N GLU A 51 2.961 1.693 9.916 1.00 0.00 N ATOM 808 CA GLU A 51 2.384 2.981 10.265 1.00 0.00 C ATOM 809 C GLU A 51 1.101 3.144 9.461 1.00 0.00 C ATOM 810 O GLU A 51 1.152 3.128 8.236 1.00 0.00 O ATOM 811 CB GLU A 51 3.413 4.065 9.919 1.00 0.00 C ATOM 812 CG GLU A 51 3.228 5.375 10.674 1.00 0.00 C ATOM 813 CD GLU A 51 3.823 5.297 12.079 1.00 0.00 C ATOM 814 OE1 GLU A 51 3.282 4.561 12.939 1.00 0.00 O ATOM 815 OE2 GLU A 51 4.790 6.048 12.346 1.00 0.00 O ATOM 0 H GLU A 51 2.957 1.500 8.914 1.00 0.00 H new ATOM 0 HA GLU A 51 2.144 3.058 11.325 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.411 3.679 10.125 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.364 4.267 8.849 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.702 6.186 10.121 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.166 5.612 10.739 1.00 0.00 H new ATOM 822 N VAL A 52 -0.039 3.211 10.130 1.00 0.00 N ATOM 823 CA VAL A 52 -1.336 3.335 9.519 1.00 0.00 C ATOM 824 C VAL A 52 -1.566 4.791 9.188 1.00 0.00 C ATOM 825 O VAL A 52 -1.587 5.648 10.074 1.00 0.00 O ATOM 826 CB VAL A 52 -2.427 2.656 10.346 1.00 0.00 C ATOM 827 CG1 VAL A 52 -2.262 2.783 11.855 1.00 0.00 C ATOM 828 CG2 VAL A 52 -3.817 3.112 9.898 1.00 0.00 C ATOM 0 H VAL A 52 -0.079 3.179 11.149 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.380 2.788 8.577 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.316 1.591 10.144 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.083 2.270 12.355 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.316 2.333 12.157 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.268 3.837 12.134 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.575 2.614 10.502 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.904 4.191 10.023 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.963 2.856 8.849 1.00 0.00 H new ATOM 838 N VAL A 53 -1.657 5.064 7.895 1.00 0.00 N ATOM 839 CA VAL A 53 -1.637 6.400 7.328 1.00 0.00 C ATOM 840 C VAL A 53 -2.520 6.528 6.089 1.00 0.00 C ATOM 841 O VAL A 53 -2.519 7.575 5.448 1.00 0.00 O ATOM 842 CB VAL A 53 -0.189 6.725 6.953 1.00 0.00 C ATOM 843 CG1 VAL A 53 0.737 6.806 8.162 1.00 0.00 C ATOM 844 CG2 VAL A 53 0.430 5.738 5.966 1.00 0.00 C ATOM 0 H VAL A 53 -1.750 4.334 7.189 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.031 7.095 8.069 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.270 7.703 6.478 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.749 7.039 7.830 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.387 7.587 8.837 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.738 5.849 8.684 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.456 6.035 5.749 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.426 4.738 6.400 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.149 5.735 5.043 1.00 0.00 H new ATOM 854 N ALA A 54 -3.192 5.459 5.691 1.00 0.00 N ATOM 855 CA ALA A 54 -3.917 5.372 4.441 1.00 0.00 C ATOM 856 C ALA A 54 -5.123 4.463 4.647 1.00 0.00 C ATOM 857 O ALA A 54 -5.380 3.586 3.827 1.00 0.00 O ATOM 858 CB ALA A 54 -2.934 4.850 3.393 1.00 0.00 C ATOM 0 H ALA A 54 -3.247 4.606 6.247 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.303 6.332 4.098 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.438 4.768 2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.095 5.540 3.305 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.567 3.869 3.695 1.00 0.00 H new ATOM 864 N SER A 55 -5.759 4.598 5.810 1.00 0.00 N ATOM 865 CA SER A 55 -6.878 3.796 6.268 1.00 0.00 C ATOM 866 C SER A 55 -7.987 3.721 5.211 1.00 0.00 C ATOM 867 O SER A 55 -8.034 4.477 4.238 1.00 0.00 O ATOM 868 CB SER A 55 -7.380 4.429 7.575 1.00 0.00 C ATOM 869 OG SER A 55 -6.513 4.143 8.658 1.00 0.00 O ATOM 0 H SER A 55 -5.488 5.309 6.489 1.00 0.00 H new ATOM 0 HA SER A 55 -6.565 2.766 6.441 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.462 5.509 7.449 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.380 4.057 7.800 1.00 0.00 H new ATOM 0 HG SER A 55 -6.860 4.561 9.474 1.00 0.00 H new ATOM 875 N ILE A 56 -8.904 2.787 5.408 1.00 0.00 N ATOM 876 CA ILE A 56 -10.014 2.591 4.502 1.00 0.00 C ATOM 877 C ILE A 56 -11.243 2.316 5.358 1.00 0.00 C ATOM 878 O ILE A 56 -11.130 1.651 6.391 1.00 0.00 O ATOM 879 CB ILE A 56 -9.716 1.449 3.498 1.00 0.00 C ATOM 880 CG1 ILE A 56 -8.236 1.254 3.097 1.00 0.00 C ATOM 881 CG2 ILE A 56 -10.606 1.726 2.271 1.00 0.00 C ATOM 882 CD1 ILE A 56 -7.992 0.007 2.244 1.00 0.00 C ATOM 0 H ILE A 56 -8.896 2.146 6.201 1.00 0.00 H new ATOM 0 HA ILE A 56 -10.187 3.476 3.890 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.941 0.501 3.987 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.899 2.132 2.547 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.629 1.191 4.000 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -10.443 0.952 1.521 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.653 1.723 2.573 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -10.352 2.699 1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.932 -0.065 2.000 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.298 -0.879 2.800 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -8.572 0.077 1.324 1.00 0.00 H new ATOM 894 N GLU A 57 -12.412 2.771 4.916 1.00 0.00 N ATOM 895 CA GLU A 57 -13.707 2.517 5.518 1.00 0.00 C ATOM 896 C GLU A 57 -14.649 2.089 4.399 1.00 0.00 C ATOM 897 O GLU A 57 -14.874 2.864 3.471 1.00 0.00 O ATOM 898 CB GLU A 57 -14.218 3.775 6.239 1.00 0.00 C ATOM 899 CG GLU A 57 -13.641 3.844 7.659 1.00 0.00 C ATOM 900 CD GLU A 57 -14.118 5.079 8.440 1.00 0.00 C ATOM 901 OE1 GLU A 57 -14.158 6.198 7.868 1.00 0.00 O ATOM 902 OE2 GLU A 57 -14.342 4.973 9.667 1.00 0.00 O ATOM 0 H GLU A 57 -12.479 3.357 4.084 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.643 1.730 6.269 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.932 4.665 5.679 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.307 3.761 6.282 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.924 2.944 8.205 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.552 3.854 7.603 1.00 0.00 H new ATOM 909 N SER A 58 -15.153 0.853 4.455 1.00 0.00 N ATOM 910 CA SER A 58 -15.998 0.230 3.435 1.00 0.00 C ATOM 911 C SER A 58 -17.458 0.162 3.897 1.00 0.00 C ATOM 912 O SER A 58 -17.832 0.819 4.873 1.00 0.00 O ATOM 913 CB SER A 58 -15.401 -1.127 3.029 1.00 0.00 C ATOM 914 OG SER A 58 -15.489 -2.063 4.076 1.00 0.00 O ATOM 0 H SER A 58 -14.975 0.234 5.246 1.00 0.00 H new ATOM 0 HA SER A 58 -16.014 0.845 2.535 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.925 -1.509 2.153 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.357 -0.996 2.744 1.00 0.00 H new ATOM 0 HG SER A 58 -15.560 -2.966 3.702 1.00 0.00 H new ATOM 920 N VAL A 59 -18.295 -0.603 3.183 1.00 0.00 N ATOM 921 CA VAL A 59 -19.724 -0.780 3.445 1.00 0.00 C ATOM 922 C VAL A 59 -20.067 -1.013 4.921 1.00 0.00 C ATOM 923 O VAL A 59 -21.076 -0.474 5.376 1.00 0.00 O ATOM 924 CB VAL A 59 -20.303 -1.900 2.553 1.00 0.00 C ATOM 925 CG1 VAL A 59 -20.625 -1.350 1.160 1.00 0.00 C ATOM 926 CG2 VAL A 59 -19.379 -3.129 2.448 1.00 0.00 C ATOM 0 H VAL A 59 -17.978 -1.137 2.374 1.00 0.00 H new ATOM 0 HA VAL A 59 -20.197 0.167 3.187 1.00 0.00 H new ATOM 0 HB VAL A 59 -21.219 -2.244 3.033 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -21.033 -2.148 0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -21.357 -0.547 1.246 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -19.715 -0.963 0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -19.843 -3.879 1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -18.422 -2.829 2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -19.218 -3.549 3.441 1.00 0.00 H new ATOM 936 N LYS A 60 -19.258 -1.783 5.664 1.00 0.00 N ATOM 937 CA LYS A 60 -19.054 -1.601 7.104 1.00 0.00 C ATOM 938 C LYS A 60 -17.827 -2.406 7.527 1.00 0.00 C ATOM 939 O LYS A 60 -17.938 -3.440 8.181 1.00 0.00 O ATOM 940 CB LYS A 60 -20.296 -1.916 7.980 1.00 0.00 C ATOM 941 CG LYS A 60 -20.194 -1.236 9.363 1.00 0.00 C ATOM 942 CD LYS A 60 -19.897 -2.198 10.514 1.00 0.00 C ATOM 943 CE LYS A 60 -19.661 -1.409 11.806 1.00 0.00 C ATOM 944 NZ LYS A 60 -19.186 -2.299 12.878 1.00 0.00 N ATOM 0 H LYS A 60 -18.722 -2.558 5.274 1.00 0.00 H new ATOM 0 HA LYS A 60 -18.885 -0.539 7.279 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -21.198 -1.577 7.471 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -20.389 -2.994 8.109 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -19.411 -0.479 9.326 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -21.130 -0.717 9.570 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -20.730 -2.888 10.646 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -19.019 -2.799 10.279 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -18.929 -0.621 11.629 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -20.586 -0.921 12.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -19.032 -1.746 13.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -19.898 -3.035 13.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.292 -2.745 12.588 1.00 0.00 H new ATOM 958 N ALA A 61 -16.637 -1.948 7.159 1.00 0.00 N ATOM 959 CA ALA A 61 -15.408 -2.313 7.846 1.00 0.00 C ATOM 960 C ALA A 61 -14.524 -1.079 7.914 1.00 0.00 C ATOM 961 O ALA A 61 -14.740 -0.130 7.163 1.00 0.00 O ATOM 962 CB ALA A 61 -14.672 -3.424 7.092 1.00 0.00 C ATOM 0 H ALA A 61 -16.498 -1.312 6.374 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.644 -2.679 8.845 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.756 -3.680 7.625 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.312 -4.304 7.026 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.424 -3.080 6.088 1.00 0.00 H new ATOM 968 N ALA A 62 -13.476 -1.146 8.731 1.00 0.00 N ATOM 969 CA ALA A 62 -12.313 -0.278 8.627 1.00 0.00 C ATOM 970 C ALA A 62 -11.084 -1.147 8.362 1.00 0.00 C ATOM 971 O ALA A 62 -11.079 -2.329 8.733 1.00 0.00 O ATOM 972 CB ALA A 62 -12.146 0.549 9.901 1.00 0.00 C ATOM 0 H ALA A 62 -13.413 -1.818 9.496 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.441 0.424 7.803 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.271 1.192 9.805 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.033 1.163 10.055 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.014 -0.118 10.753 1.00 0.00 H new ATOM 978 N ALA A 63 -10.043 -0.593 7.743 1.00 0.00 N ATOM 979 CA ALA A 63 -8.801 -1.290 7.446 1.00 0.00 C ATOM 980 C ALA A 63 -7.636 -0.314 7.515 1.00 0.00 C ATOM 981 O ALA A 63 -7.496 0.556 6.664 1.00 0.00 O ATOM 982 CB ALA A 63 -8.881 -1.936 6.065 1.00 0.00 C ATOM 0 H ALA A 63 -10.044 0.377 7.428 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.643 -2.076 8.184 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.947 -2.455 5.852 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.705 -2.649 6.044 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.048 -1.166 5.312 1.00 0.00 H new ATOM 988 N ASP A 64 -6.819 -0.467 8.547 1.00 0.00 N ATOM 989 CA ASP A 64 -5.557 0.229 8.737 1.00 0.00 C ATOM 990 C ASP A 64 -4.587 -0.213 7.626 1.00 0.00 C ATOM 991 O ASP A 64 -4.228 -1.395 7.564 1.00 0.00 O ATOM 992 CB ASP A 64 -4.975 -0.195 10.102 1.00 0.00 C ATOM 993 CG ASP A 64 -5.803 0.153 11.340 1.00 0.00 C ATOM 994 OD1 ASP A 64 -6.889 -0.447 11.544 1.00 0.00 O ATOM 995 OD2 ASP A 64 -5.339 0.931 12.199 1.00 0.00 O ATOM 0 H ASP A 64 -7.029 -1.110 9.310 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.701 1.309 8.704 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.823 -1.274 10.087 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.992 0.264 10.210 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.173 0.677 6.717 1.00 0.00 N ATOM 1001 CA VAL A 65 -3.138 0.376 5.722 1.00 0.00 C ATOM 1002 C VAL A 65 -1.779 0.692 6.365 1.00 0.00 C ATOM 1003 O VAL A 65 -1.463 1.873 6.545 1.00 0.00 O ATOM 1004 CB VAL A 65 -3.393 1.198 4.454 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -2.255 1.148 3.422 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -4.688 0.678 3.815 1.00 0.00 C ATOM 0 H VAL A 65 -4.545 1.624 6.651 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.152 -0.672 5.424 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.466 2.243 4.754 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.520 1.757 2.558 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.340 1.534 3.871 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.097 0.117 3.105 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.899 1.244 2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.573 -0.377 3.566 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.513 0.797 4.517 1.00 0.00 H new ATOM 1016 N TYR A 66 -1.008 -0.320 6.781 1.00 0.00 N ATOM 1017 CA TYR A 66 0.236 -0.128 7.525 1.00 0.00 C ATOM 1018 C TYR A 66 1.420 -0.017 6.562 1.00 0.00 C ATOM 1019 O TYR A 66 1.916 -1.031 6.057 1.00 0.00 O ATOM 1020 CB TYR A 66 0.505 -1.293 8.482 1.00 0.00 C ATOM 1021 CG TYR A 66 -0.606 -1.593 9.453 1.00 0.00 C ATOM 1022 CD1 TYR A 66 -0.700 -0.911 10.677 1.00 0.00 C ATOM 1023 CD2 TYR A 66 -1.547 -2.575 9.119 1.00 0.00 C ATOM 1024 CE1 TYR A 66 -1.717 -1.256 11.586 1.00 0.00 C ATOM 1025 CE2 TYR A 66 -2.588 -2.891 10.001 1.00 0.00 C ATOM 1026 CZ TYR A 66 -2.663 -2.251 11.257 1.00 0.00 C ATOM 1027 OH TYR A 66 -3.592 -2.637 12.172 1.00 0.00 O ATOM 0 H TYR A 66 -1.234 -1.300 6.608 1.00 0.00 H new ATOM 0 HA TYR A 66 0.125 0.791 8.101 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.703 -2.188 7.893 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.412 -1.076 9.047 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.003 -0.128 10.919 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.469 -3.092 8.174 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.774 -0.756 12.542 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.332 -3.623 9.721 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.166 -3.330 11.783 1.00 0.00 H new ATOM 1037 N ALA A 67 1.930 1.203 6.389 1.00 0.00 N ATOM 1038 CA ALA A 67 3.045 1.562 5.514 1.00 0.00 C ATOM 1039 C ALA A 67 4.196 0.546 5.566 1.00 0.00 C ATOM 1040 O ALA A 67 4.508 0.032 6.642 1.00 0.00 O ATOM 1041 CB ALA A 67 3.584 2.935 5.913 1.00 0.00 C ATOM 0 H ALA A 67 1.554 2.012 6.884 1.00 0.00 H new ATOM 0 HA ALA A 67 2.658 1.572 4.495 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.415 3.203 5.261 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.793 3.679 5.817 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.929 2.904 6.947 1.00 0.00 H new ATOM 1047 N PRO A 68 4.853 0.258 4.431 1.00 0.00 N ATOM 1048 CA PRO A 68 5.717 -0.906 4.310 1.00 0.00 C ATOM 1049 C PRO A 68 7.128 -0.671 4.856 1.00 0.00 C ATOM 1050 O PRO A 68 7.739 -1.601 5.380 1.00 0.00 O ATOM 1051 CB PRO A 68 5.751 -1.183 2.808 1.00 0.00 C ATOM 1052 CG PRO A 68 5.623 0.201 2.175 1.00 0.00 C ATOM 1053 CD PRO A 68 4.670 0.901 3.138 1.00 0.00 C ATOM 0 HA PRO A 68 5.338 -1.742 4.898 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.679 -1.673 2.513 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.935 -1.838 2.504 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.584 0.711 2.109 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.219 0.152 1.164 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.891 1.967 3.199 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.638 0.808 2.800 1.00 0.00 H new ATOM 1061 N LEU A 69 7.660 0.544 4.695 1.00 0.00 N ATOM 1062 CA LEU A 69 9.039 0.939 4.957 1.00 0.00 C ATOM 1063 C LEU A 69 8.995 2.307 5.626 1.00 0.00 C ATOM 1064 O LEU A 69 8.181 3.143 5.230 1.00 0.00 O ATOM 1065 CB LEU A 69 9.810 1.124 3.635 1.00 0.00 C ATOM 1066 CG LEU A 69 10.430 -0.070 2.911 1.00 0.00 C ATOM 1067 CD1 LEU A 69 11.450 -0.807 3.768 1.00 0.00 C ATOM 1068 CD2 LEU A 69 9.421 -1.060 2.348 1.00 0.00 C ATOM 0 H LEU A 69 7.099 1.326 4.356 1.00 0.00 H new ATOM 0 HA LEU A 69 9.523 0.177 5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.129 1.604 2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.616 1.831 3.832 1.00 0.00 H new ATOM 0 HG LEU A 69 10.940 0.381 2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.859 -1.646 3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 69 12.256 -0.126 4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.966 -1.178 4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.948 -1.874 1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.814 -1.462 3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.777 -0.554 1.629 1.00 0.00 H new ATOM 1080 N SER A 70 9.914 2.588 6.544 1.00 0.00 N ATOM 1081 CA SER A 70 10.130 3.934 7.057 1.00 0.00 C ATOM 1082 C SER A 70 10.626 4.830 5.917 1.00 0.00 C ATOM 1083 O SER A 70 11.360 4.386 5.025 1.00 0.00 O ATOM 1084 CB SER A 70 11.096 3.878 8.240 1.00 0.00 C ATOM 1085 OG SER A 70 10.668 2.893 9.176 1.00 0.00 O ATOM 0 H SER A 70 10.531 1.886 6.953 1.00 0.00 H new ATOM 0 HA SER A 70 9.201 4.367 7.428 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.101 3.644 7.888 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.147 4.853 8.724 1.00 0.00 H new ATOM 0 HG SER A 70 11.294 2.864 9.929 1.00 0.00 H new ATOM 1091 N GLY A 71 10.097 6.048 5.861 1.00 0.00 N ATOM 1092 CA GLY A 71 10.016 6.835 4.642 1.00 0.00 C ATOM 1093 C GLY A 71 9.179 8.065 4.892 1.00 0.00 C ATOM 1094 O GLY A 71 8.670 8.283 5.997 1.00 0.00 O ATOM 0 H GLY A 71 9.707 6.521 6.676 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.015 7.122 4.315 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.577 6.240 3.841 1.00 0.00 H new ATOM 1098 N LYS A 72 8.994 8.847 3.836 1.00 0.00 N ATOM 1099 CA LYS A 72 8.093 9.994 3.870 1.00 0.00 C ATOM 1100 C LYS A 72 7.178 9.888 2.655 1.00 0.00 C ATOM 1101 O LYS A 72 7.622 9.445 1.597 1.00 0.00 O ATOM 1102 CB LYS A 72 8.851 11.328 3.920 1.00 0.00 C ATOM 1103 CG LYS A 72 10.068 11.438 4.852 1.00 0.00 C ATOM 1104 CD LYS A 72 11.394 10.953 4.271 1.00 0.00 C ATOM 1105 CE LYS A 72 12.578 11.847 4.658 1.00 0.00 C ATOM 1106 NZ LYS A 72 12.773 11.993 6.119 1.00 0.00 N ATOM 0 H LYS A 72 9.459 8.707 2.939 1.00 0.00 H new ATOM 0 HA LYS A 72 7.500 9.979 4.784 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.185 11.559 2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.141 12.104 4.207 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.182 12.481 5.148 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.860 10.870 5.759 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.585 9.936 4.615 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.316 10.913 3.185 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.488 11.436 4.220 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.432 12.835 4.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.729 12.356 6.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.069 12.658 6.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.657 11.067 6.579 1.00 0.00 H new ATOM 1120 N ILE A 73 5.900 10.214 2.798 1.00 0.00 N ATOM 1121 CA ILE A 73 4.936 10.272 1.706 1.00 0.00 C ATOM 1122 C ILE A 73 5.379 11.407 0.787 1.00 0.00 C ATOM 1123 O ILE A 73 5.886 12.408 1.286 1.00 0.00 O ATOM 1124 CB ILE A 73 3.521 10.530 2.267 1.00 0.00 C ATOM 1125 CG1 ILE A 73 3.115 9.591 3.428 1.00 0.00 C ATOM 1126 CG2 ILE A 73 2.450 10.454 1.162 1.00 0.00 C ATOM 1127 CD1 ILE A 73 3.530 8.127 3.271 1.00 0.00 C ATOM 0 H ILE A 73 5.493 10.452 3.703 1.00 0.00 H new ATOM 0 HA ILE A 73 4.898 9.332 1.155 1.00 0.00 H new ATOM 0 HB ILE A 73 3.571 11.541 2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.549 9.976 4.351 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.032 9.632 3.543 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.467 10.641 1.595 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.660 11.205 0.400 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.465 9.463 0.709 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.196 7.559 4.139 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.075 7.714 2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.615 8.063 3.191 1.00 0.00 H new ATOM 1139 N VAL A 74 5.176 11.263 -0.525 1.00 0.00 N ATOM 1140 CA VAL A 74 5.455 12.325 -1.487 1.00 0.00 C ATOM 1141 C VAL A 74 4.429 12.347 -2.620 1.00 0.00 C ATOM 1142 O VAL A 74 4.484 13.232 -3.468 1.00 0.00 O ATOM 1143 CB VAL A 74 6.890 12.195 -2.049 1.00 0.00 C ATOM 1144 CG1 VAL A 74 7.993 12.349 -0.992 1.00 0.00 C ATOM 1145 CG2 VAL A 74 7.131 10.874 -2.801 1.00 0.00 C ATOM 0 H VAL A 74 4.814 10.408 -0.947 1.00 0.00 H new ATOM 0 HA VAL A 74 5.377 13.274 -0.957 1.00 0.00 H new ATOM 0 HB VAL A 74 6.956 13.030 -2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.969 12.245 -1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.918 13.333 -0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.876 11.579 -0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.157 10.847 -3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.966 10.035 -2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.441 10.803 -3.642 1.00 0.00 H new ATOM 1155 N GLU A 75 3.483 11.403 -2.664 1.00 0.00 N ATOM 1156 CA GLU A 75 2.410 11.429 -3.639 1.00 0.00 C ATOM 1157 C GLU A 75 1.213 10.687 -3.032 1.00 0.00 C ATOM 1158 O GLU A 75 1.389 9.781 -2.217 1.00 0.00 O ATOM 1159 CB GLU A 75 2.936 10.786 -4.938 1.00 0.00 C ATOM 1160 CG GLU A 75 2.900 11.720 -6.154 1.00 0.00 C ATOM 1161 CD GLU A 75 3.990 11.406 -7.193 1.00 0.00 C ATOM 1162 OE1 GLU A 75 3.945 10.315 -7.806 1.00 0.00 O ATOM 1163 OE2 GLU A 75 4.859 12.278 -7.424 1.00 0.00 O ATOM 0 H GLU A 75 3.447 10.608 -2.025 1.00 0.00 H new ATOM 0 HA GLU A 75 2.080 12.438 -3.887 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.962 10.454 -4.778 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.344 9.897 -5.157 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.922 11.648 -6.630 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.015 12.750 -5.816 1.00 0.00 H new ATOM 1170 N VAL A 76 -0.011 11.041 -3.421 1.00 0.00 N ATOM 1171 CA VAL A 76 -1.252 10.505 -2.849 1.00 0.00 C ATOM 1172 C VAL A 76 -2.242 10.330 -4.011 1.00 0.00 C ATOM 1173 O VAL A 76 -2.170 11.070 -5.001 1.00 0.00 O ATOM 1174 CB VAL A 76 -1.790 11.459 -1.749 1.00 0.00 C ATOM 1175 CG1 VAL A 76 -0.814 11.646 -0.568 1.00 0.00 C ATOM 1176 CG2 VAL A 76 -2.138 12.836 -2.331 1.00 0.00 C ATOM 0 H VAL A 76 -0.175 11.725 -4.160 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.090 9.543 -2.363 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.688 10.977 -1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.253 12.324 0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.622 10.681 -0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.124 12.065 -0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.512 13.483 -1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.246 13.281 -2.771 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.904 12.724 -3.099 1.00 0.00 H new ATOM 1186 N ASN A 77 -3.151 9.357 -3.941 1.00 0.00 N ATOM 1187 CA ASN A 77 -4.065 9.061 -5.043 1.00 0.00 C ATOM 1188 C ASN A 77 -5.421 9.699 -4.769 1.00 0.00 C ATOM 1189 O ASN A 77 -6.379 9.017 -4.405 1.00 0.00 O ATOM 1190 CB ASN A 77 -4.190 7.545 -5.259 1.00 0.00 C ATOM 1191 CG ASN A 77 -4.768 7.184 -6.629 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -4.782 8.002 -7.554 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -5.211 5.942 -6.762 1.00 0.00 N ATOM 0 H ASN A 77 -3.274 8.757 -3.126 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.663 9.485 -5.963 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.207 7.086 -5.153 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.825 7.123 -4.480 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.584 5.627 -7.658 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.179 5.302 -5.969 1.00 0.00 H new ATOM 1200 N GLU A 78 -5.517 11.024 -4.950 1.00 0.00 N ATOM 1201 CA GLU A 78 -6.751 11.791 -4.708 1.00 0.00 C ATOM 1202 C GLU A 78 -7.974 11.288 -5.494 1.00 0.00 C ATOM 1203 O GLU A 78 -9.112 11.575 -5.138 1.00 0.00 O ATOM 1204 CB GLU A 78 -6.533 13.297 -4.955 1.00 0.00 C ATOM 1205 CG GLU A 78 -6.298 14.062 -3.642 1.00 0.00 C ATOM 1206 CD GLU A 78 -6.410 15.588 -3.788 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -7.210 16.078 -4.623 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -5.766 16.338 -3.025 1.00 0.00 O ATOM 0 H GLU A 78 -4.737 11.598 -5.270 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.983 11.628 -3.655 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.677 13.437 -5.616 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.402 13.711 -5.467 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.021 13.723 -2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.308 13.814 -3.259 1.00 0.00 H new ATOM 1215 N LYS A 79 -7.754 10.452 -6.507 1.00 0.00 N ATOM 1216 CA LYS A 79 -8.786 9.728 -7.232 1.00 0.00 C ATOM 1217 C LYS A 79 -9.695 8.941 -6.294 1.00 0.00 C ATOM 1218 O LYS A 79 -10.887 8.804 -6.576 1.00 0.00 O ATOM 1219 CB LYS A 79 -8.108 8.767 -8.225 1.00 0.00 C ATOM 1220 CG LYS A 79 -7.899 9.448 -9.581 1.00 0.00 C ATOM 1221 CD LYS A 79 -7.457 8.449 -10.656 1.00 0.00 C ATOM 1222 CE LYS A 79 -6.003 7.966 -10.552 1.00 0.00 C ATOM 1223 NZ LYS A 79 -5.010 9.032 -10.778 1.00 0.00 N ATOM 0 H LYS A 79 -6.816 10.256 -6.855 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.409 10.451 -7.759 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.148 8.440 -7.825 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.721 7.875 -8.351 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.825 9.931 -9.892 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.148 10.232 -9.482 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.114 7.580 -10.612 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.600 8.908 -11.634 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.842 7.534 -9.564 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.841 7.170 -11.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.053 8.627 -10.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.170 9.464 -11.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.106 9.758 -10.039 1.00 0.00 H new ATOM 1237 N LEU A 80 -9.148 8.410 -5.201 1.00 0.00 N ATOM 1238 CA LEU A 80 -9.858 7.543 -4.265 1.00 0.00 C ATOM 1239 C LEU A 80 -10.955 8.301 -3.494 1.00 0.00 C ATOM 1240 O LEU A 80 -11.792 7.672 -2.854 1.00 0.00 O ATOM 1241 CB LEU A 80 -8.846 6.819 -3.346 1.00 0.00 C ATOM 1242 CG LEU A 80 -7.929 5.734 -3.979 1.00 0.00 C ATOM 1243 CD1 LEU A 80 -8.296 4.328 -3.511 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -7.954 5.640 -5.501 1.00 0.00 C ATOM 0 H LEU A 80 -8.177 8.575 -4.937 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.390 6.776 -4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.205 7.576 -2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.406 6.351 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.945 6.065 -3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.629 3.603 -3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.195 4.267 -2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.326 4.108 -3.792 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.277 4.851 -5.828 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.966 5.412 -5.835 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.636 6.591 -5.930 1.00 0.00 H new ATOM 1256 N ASP A 81 -11.014 9.631 -3.609 1.00 0.00 N ATOM 1257 CA ASP A 81 -12.132 10.481 -3.181 1.00 0.00 C ATOM 1258 C ASP A 81 -13.438 10.170 -3.925 1.00 0.00 C ATOM 1259 O ASP A 81 -14.535 10.389 -3.407 1.00 0.00 O ATOM 1260 CB ASP A 81 -11.747 11.922 -3.514 1.00 0.00 C ATOM 1261 CG ASP A 81 -12.682 12.974 -2.939 1.00 0.00 C ATOM 1262 OD1 ASP A 81 -12.695 13.170 -1.705 1.00 0.00 O ATOM 1263 OD2 ASP A 81 -13.268 13.743 -3.739 1.00 0.00 O ATOM 0 H ASP A 81 -10.252 10.169 -4.021 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.306 10.309 -2.119 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -10.739 12.110 -3.145 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.716 12.035 -4.598 1.00 0.00 H new ATOM 1268 N THR A 82 -13.316 9.686 -5.160 1.00 0.00 N ATOM 1269 CA THR A 82 -14.392 9.551 -6.138 1.00 0.00 C ATOM 1270 C THR A 82 -14.459 8.121 -6.679 1.00 0.00 C ATOM 1271 O THR A 82 -15.534 7.608 -6.985 1.00 0.00 O ATOM 1272 CB THR A 82 -14.170 10.587 -7.259 1.00 0.00 C ATOM 1273 OG1 THR A 82 -12.815 10.629 -7.703 1.00 0.00 O ATOM 1274 CG2 THR A 82 -14.520 11.991 -6.758 1.00 0.00 C ATOM 0 H THR A 82 -12.419 9.362 -5.523 1.00 0.00 H new ATOM 0 HA THR A 82 -15.355 9.747 -5.666 1.00 0.00 H new ATOM 0 HB THR A 82 -14.812 10.281 -8.085 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.330 9.855 -7.348 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.359 12.713 -7.558 1.00 0.00 H new ATOM 0 HG22 THR A 82 -15.565 12.017 -6.450 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.885 12.243 -5.909 1.00 0.00 H new ATOM 1282 N GLU A 83 -13.327 7.421 -6.683 1.00 0.00 N ATOM 1283 CA GLU A 83 -13.186 6.020 -7.039 1.00 0.00 C ATOM 1284 C GLU A 83 -12.479 5.288 -5.878 1.00 0.00 C ATOM 1285 O GLU A 83 -11.340 4.840 -6.031 1.00 0.00 O ATOM 1286 CB GLU A 83 -12.386 5.979 -8.348 1.00 0.00 C ATOM 1287 CG GLU A 83 -13.197 6.199 -9.629 1.00 0.00 C ATOM 1288 CD GLU A 83 -12.439 6.878 -10.773 1.00 0.00 C ATOM 1289 OE1 GLU A 83 -11.571 7.751 -10.536 1.00 0.00 O ATOM 1290 OE2 GLU A 83 -12.705 6.529 -11.948 1.00 0.00 O ATOM 0 H GLU A 83 -12.436 7.844 -6.423 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.141 5.518 -7.195 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.605 6.738 -8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.887 5.012 -8.417 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.562 5.233 -9.979 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.072 6.802 -9.387 1.00 0.00 H new ATOM 1297 N PRO A 84 -13.100 5.195 -4.686 1.00 0.00 N ATOM 1298 CA PRO A 84 -12.541 4.494 -3.539 1.00 0.00 C ATOM 1299 C PRO A 84 -12.612 2.990 -3.803 1.00 0.00 C ATOM 1300 O PRO A 84 -11.614 2.276 -3.690 1.00 0.00 O ATOM 1301 CB PRO A 84 -13.390 4.909 -2.330 1.00 0.00 C ATOM 1302 CG PRO A 84 -14.712 5.394 -2.923 1.00 0.00 C ATOM 1303 CD PRO A 84 -14.397 5.751 -4.370 1.00 0.00 C ATOM 0 HA PRO A 84 -11.495 4.741 -3.355 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.546 4.071 -1.651 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.902 5.697 -1.757 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.476 4.619 -2.867 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.094 6.258 -2.379 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.159 5.349 -5.038 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.393 6.833 -4.505 1.00 0.00 H new ATOM 1311 N GLU A 85 -13.805 2.509 -4.171 1.00 0.00 N ATOM 1312 CA GLU A 85 -14.129 1.133 -4.530 1.00 0.00 C ATOM 1313 C GLU A 85 -13.159 0.589 -5.594 1.00 0.00 C ATOM 1314 O GLU A 85 -13.110 -0.629 -5.709 1.00 0.00 O ATOM 1315 CB GLU A 85 -15.588 1.025 -5.059 1.00 0.00 C ATOM 1316 CG GLU A 85 -16.146 2.294 -5.741 1.00 0.00 C ATOM 1317 CD GLU A 85 -17.236 2.002 -6.777 1.00 0.00 C ATOM 1318 OE1 GLU A 85 -16.899 1.588 -7.908 1.00 0.00 O ATOM 1319 OE2 GLU A 85 -18.432 2.284 -6.535 1.00 0.00 O ATOM 0 H GLU A 85 -14.622 3.117 -4.228 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.031 0.533 -3.625 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.638 0.200 -5.770 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.240 0.766 -4.225 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.550 2.959 -4.978 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.328 2.826 -6.226 1.00 0.00 H new ATOM 1326 N LEU A 86 -12.356 1.391 -6.325 1.00 0.00 N ATOM 1327 CA LEU A 86 -11.366 0.939 -7.292 1.00 0.00 C ATOM 1328 C LEU A 86 -10.372 -0.032 -6.647 1.00 0.00 C ATOM 1329 O LEU A 86 -9.798 -0.892 -7.307 1.00 0.00 O ATOM 1330 CB LEU A 86 -10.598 2.161 -7.843 1.00 0.00 C ATOM 1331 CG LEU A 86 -10.233 2.138 -9.333 1.00 0.00 C ATOM 1332 CD1 LEU A 86 -9.600 0.799 -9.660 1.00 0.00 C ATOM 1333 CD2 LEU A 86 -11.366 2.348 -10.320 1.00 0.00 C ATOM 0 H LEU A 86 -12.391 2.407 -6.246 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.883 0.421 -8.100 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -11.198 3.052 -7.654 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.677 2.269 -7.270 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.568 2.993 -9.456 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.336 0.770 -10.717 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.702 0.664 -9.058 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.307 -0.001 -9.441 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.975 2.309 -11.337 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.113 1.565 -10.188 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.825 3.321 -10.145 1.00 0.00 H new ATOM 1345 N ILE A 87 -10.188 0.054 -5.336 1.00 0.00 N ATOM 1346 CA ILE A 87 -9.421 -0.914 -4.572 1.00 0.00 C ATOM 1347 C ILE A 87 -9.911 -2.351 -4.875 1.00 0.00 C ATOM 1348 O ILE A 87 -9.113 -3.281 -4.861 1.00 0.00 O ATOM 1349 CB ILE A 87 -9.524 -0.468 -3.100 1.00 0.00 C ATOM 1350 CG1 ILE A 87 -8.674 0.809 -2.885 1.00 0.00 C ATOM 1351 CG2 ILE A 87 -9.057 -1.565 -2.153 1.00 0.00 C ATOM 1352 CD1 ILE A 87 -8.930 1.482 -1.533 1.00 0.00 C ATOM 0 H ILE A 87 -10.573 0.809 -4.768 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.365 -0.946 -4.842 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.571 -0.258 -2.880 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.618 0.552 -2.962 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.888 1.519 -3.684 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.143 -1.218 -1.123 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.676 -2.452 -2.290 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.017 -1.812 -2.367 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.304 2.370 -1.444 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.979 1.769 -1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.689 0.787 -0.729 1.00 0.00 H new ATOM 1364 N ASN A 88 -11.192 -2.555 -5.201 1.00 0.00 N ATOM 1365 CA ASN A 88 -11.732 -3.825 -5.696 1.00 0.00 C ATOM 1366 C ASN A 88 -11.307 -4.092 -7.139 1.00 0.00 C ATOM 1367 O ASN A 88 -10.860 -5.180 -7.506 1.00 0.00 O ATOM 1368 CB ASN A 88 -13.264 -3.781 -5.700 1.00 0.00 C ATOM 1369 CG ASN A 88 -13.872 -3.793 -4.300 1.00 0.00 C ATOM 1370 OD1 ASN A 88 -14.444 -4.782 -3.855 1.00 0.00 O ATOM 1371 ND2 ASN A 88 -13.765 -2.704 -3.565 1.00 0.00 N ATOM 0 H ASN A 88 -11.899 -1.823 -5.126 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.350 -4.604 -5.037 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.593 -2.884 -6.224 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.644 -4.635 -6.261 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -14.158 -2.683 -2.624 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -13.289 -1.882 -3.937 1.00 0.00 H new ATOM 1378 N LYS A 89 -11.551 -3.088 -7.980 1.00 0.00 N ATOM 1379 CA LYS A 89 -11.562 -3.170 -9.433 1.00 0.00 C ATOM 1380 C LYS A 89 -10.147 -3.375 -9.975 1.00 0.00 C ATOM 1381 O LYS A 89 -9.958 -4.096 -10.960 1.00 0.00 O ATOM 1382 CB LYS A 89 -12.214 -1.881 -9.968 1.00 0.00 C ATOM 1383 CG LYS A 89 -13.323 -2.107 -10.992 1.00 0.00 C ATOM 1384 CD LYS A 89 -12.729 -2.042 -12.401 1.00 0.00 C ATOM 1385 CE LYS A 89 -13.791 -2.322 -13.457 1.00 0.00 C ATOM 1386 NZ LYS A 89 -13.164 -2.379 -14.788 1.00 0.00 N ATOM 0 H LYS A 89 -11.757 -2.147 -7.644 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.140 -4.031 -9.769 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.623 -1.320 -9.127 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.441 -1.259 -10.420 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.794 -3.076 -10.828 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.100 -1.351 -10.877 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.294 -1.057 -12.571 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.921 -2.768 -12.492 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.293 -3.265 -13.240 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.553 -1.543 -13.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.891 -2.570 -15.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.704 -1.469 -14.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.453 -3.138 -14.805 1.00 0.00 H new ATOM 1400 N ASP A 90 -9.150 -2.717 -9.377 1.00 0.00 N ATOM 1401 CA ASP A 90 -7.760 -2.816 -9.809 1.00 0.00 C ATOM 1402 C ASP A 90 -6.793 -2.475 -8.664 1.00 0.00 C ATOM 1403 O ASP A 90 -6.102 -1.454 -8.738 1.00 0.00 O ATOM 1404 CB ASP A 90 -7.546 -1.916 -11.045 1.00 0.00 C ATOM 1405 CG ASP A 90 -6.468 -2.428 -11.999 1.00 0.00 C ATOM 1406 OD1 ASP A 90 -6.034 -3.602 -11.920 1.00 0.00 O ATOM 1407 OD2 ASP A 90 -6.091 -1.658 -12.910 1.00 0.00 O ATOM 0 H ASP A 90 -9.288 -2.099 -8.577 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.542 -3.846 -10.093 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.487 -1.829 -11.588 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.277 -0.914 -10.711 1.00 0.00 H new ATOM 1412 N PRO A 91 -6.707 -3.301 -7.602 1.00 0.00 N ATOM 1413 CA PRO A 91 -5.973 -2.971 -6.377 1.00 0.00 C ATOM 1414 C PRO A 91 -4.483 -2.732 -6.605 1.00 0.00 C ATOM 1415 O PRO A 91 -3.826 -2.092 -5.787 1.00 0.00 O ATOM 1416 CB PRO A 91 -6.144 -4.171 -5.432 1.00 0.00 C ATOM 1417 CG PRO A 91 -6.727 -5.290 -6.294 1.00 0.00 C ATOM 1418 CD PRO A 91 -7.395 -4.572 -7.459 1.00 0.00 C ATOM 0 HA PRO A 91 -6.372 -2.041 -5.972 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -5.189 -4.467 -4.997 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -6.809 -3.927 -4.604 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.948 -5.969 -6.641 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -7.445 -5.889 -5.733 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.319 -5.160 -8.373 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.457 -4.420 -7.265 1.00 0.00 H new ATOM 1426 N GLU A 92 -3.931 -3.239 -7.707 1.00 0.00 N ATOM 1427 CA GLU A 92 -2.527 -3.102 -8.036 1.00 0.00 C ATOM 1428 C GLU A 92 -2.358 -2.436 -9.410 1.00 0.00 C ATOM 1429 O GLU A 92 -1.293 -2.565 -10.020 1.00 0.00 O ATOM 1430 CB GLU A 92 -1.760 -4.429 -7.877 1.00 0.00 C ATOM 1431 CG GLU A 92 -2.233 -5.437 -6.810 1.00 0.00 C ATOM 1432 CD GLU A 92 -1.167 -6.499 -6.489 1.00 0.00 C ATOM 1433 OE1 GLU A 92 -0.289 -6.772 -7.352 1.00 0.00 O ATOM 1434 OE2 GLU A 92 -1.252 -7.134 -5.413 1.00 0.00 O ATOM 0 H GLU A 92 -4.462 -3.763 -8.402 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.063 -2.432 -7.312 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.776 -4.937 -8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.719 -4.185 -7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.493 -4.900 -5.898 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.140 -5.931 -7.158 1.00 0.00 H new ATOM 1441 N GLY A 93 -3.384 -1.728 -9.905 1.00 0.00 N ATOM 1442 CA GLY A 93 -3.325 -0.884 -11.093 1.00 0.00 C ATOM 1443 C GLY A 93 -3.759 0.536 -10.739 1.00 0.00 C ATOM 1444 O GLY A 93 -2.935 1.321 -10.254 1.00 0.00 O ATOM 0 H GLY A 93 -4.306 -1.732 -9.469 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.312 -0.875 -11.494 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.972 -1.289 -11.871 1.00 0.00 H new ATOM 1448 N GLU A 94 -5.042 0.864 -10.903 1.00 0.00 N ATOM 1449 CA GLU A 94 -5.547 2.202 -10.578 1.00 0.00 C ATOM 1450 C GLU A 94 -5.798 2.396 -9.078 1.00 0.00 C ATOM 1451 O GLU A 94 -5.597 3.497 -8.575 1.00 0.00 O ATOM 1452 CB GLU A 94 -6.781 2.550 -11.421 1.00 0.00 C ATOM 1453 CG GLU A 94 -6.509 2.582 -12.937 1.00 0.00 C ATOM 1454 CD GLU A 94 -5.486 3.622 -13.432 1.00 0.00 C ATOM 1455 OE1 GLU A 94 -5.005 4.471 -12.650 1.00 0.00 O ATOM 1456 OE2 GLU A 94 -5.194 3.591 -14.656 1.00 0.00 O ATOM 0 H GLU A 94 -5.751 0.223 -11.259 1.00 0.00 H new ATOM 0 HA GLU A 94 -4.759 2.908 -10.840 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.566 1.822 -11.217 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.160 3.523 -11.109 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -6.165 1.594 -13.242 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -7.454 2.763 -13.449 1.00 0.00 H new ATOM 1463 N GLY A 95 -6.185 1.369 -8.325 1.00 0.00 N ATOM 1464 CA GLY A 95 -6.561 1.496 -6.914 1.00 0.00 C ATOM 1465 C GLY A 95 -5.376 1.583 -5.943 1.00 0.00 C ATOM 1466 O GLY A 95 -5.462 0.997 -4.865 1.00 0.00 O ATOM 0 H GLY A 95 -6.248 0.414 -8.678 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.178 2.387 -6.795 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.178 0.641 -6.638 1.00 0.00 H new ATOM 1470 N TRP A 96 -4.274 2.267 -6.292 1.00 0.00 N ATOM 1471 CA TRP A 96 -3.223 2.572 -5.313 1.00 0.00 C ATOM 1472 C TRP A 96 -3.745 3.589 -4.294 1.00 0.00 C ATOM 1473 O TRP A 96 -4.771 4.238 -4.517 1.00 0.00 O ATOM 1474 CB TRP A 96 -1.916 3.071 -5.963 1.00 0.00 C ATOM 1475 CG TRP A 96 -1.975 4.309 -6.809 1.00 0.00 C ATOM 1476 CD1 TRP A 96 -2.536 4.381 -8.038 1.00 0.00 C ATOM 1477 CD2 TRP A 96 -1.459 5.653 -6.525 1.00 0.00 C ATOM 1478 NE1 TRP A 96 -2.448 5.669 -8.514 1.00 0.00 N ATOM 1479 CE2 TRP A 96 -1.791 6.494 -7.628 1.00 0.00 C ATOM 1480 CE3 TRP A 96 -0.795 6.271 -5.434 1.00 0.00 C ATOM 1481 CZ2 TRP A 96 -1.491 7.863 -7.644 1.00 0.00 C ATOM 1482 CZ3 TRP A 96 -0.515 7.659 -5.429 1.00 0.00 C ATOM 1483 CH2 TRP A 96 -0.843 8.445 -6.545 1.00 0.00 C ATOM 0 H TRP A 96 -4.091 2.615 -7.233 1.00 0.00 H new ATOM 0 HA TRP A 96 -2.973 1.639 -4.808 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -1.193 3.246 -5.166 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -1.521 2.264 -6.580 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -2.985 3.553 -8.566 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -2.823 5.975 -9.412 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.496 5.669 -4.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -1.758 8.467 -8.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -0.049 8.113 -4.567 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -0.597 9.496 -6.557 1.00 0.00 H new ATOM 1494 N LEU A 97 -3.027 3.731 -3.178 1.00 0.00 N ATOM 1495 CA LEU A 97 -3.437 4.594 -2.076 1.00 0.00 C ATOM 1496 C LEU A 97 -2.498 5.804 -2.055 1.00 0.00 C ATOM 1497 O LEU A 97 -2.928 6.939 -2.270 1.00 0.00 O ATOM 1498 CB LEU A 97 -3.438 3.822 -0.739 1.00 0.00 C ATOM 1499 CG LEU A 97 -4.264 2.512 -0.700 1.00 0.00 C ATOM 1500 CD1 LEU A 97 -3.533 1.389 0.035 1.00 0.00 C ATOM 1501 CD2 LEU A 97 -5.597 2.693 0.042 1.00 0.00 C ATOM 0 H LEU A 97 -2.143 3.248 -3.016 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.461 4.940 -2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.406 3.583 -0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.814 4.486 0.039 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.424 2.257 -1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.152 0.492 0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.589 1.179 -0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.336 1.695 1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.143 1.750 0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.403 3.003 1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.193 3.455 -0.460 1.00 0.00 H new ATOM 1513 N PHE A 98 -1.195 5.579 -1.856 1.00 0.00 N ATOM 1514 CA PHE A 98 -0.194 6.638 -1.758 1.00 0.00 C ATOM 1515 C PHE A 98 1.160 6.165 -2.287 1.00 0.00 C ATOM 1516 O PHE A 98 1.343 4.984 -2.592 1.00 0.00 O ATOM 1517 CB PHE A 98 -0.090 7.118 -0.303 1.00 0.00 C ATOM 1518 CG PHE A 98 0.457 6.090 0.670 1.00 0.00 C ATOM 1519 CD1 PHE A 98 -0.383 5.112 1.230 1.00 0.00 C ATOM 1520 CD2 PHE A 98 1.811 6.124 1.038 1.00 0.00 C ATOM 1521 CE1 PHE A 98 0.121 4.188 2.162 1.00 0.00 C ATOM 1522 CE2 PHE A 98 2.300 5.235 2.010 1.00 0.00 C ATOM 1523 CZ PHE A 98 1.460 4.260 2.570 1.00 0.00 C ATOM 0 H PHE A 98 -0.804 4.642 -1.758 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.506 7.478 -2.379 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.547 8.002 -0.272 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.080 7.426 0.034 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -1.423 5.070 0.942 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.478 6.835 0.573 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -0.525 3.421 2.564 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.330 5.302 2.329 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.842 3.571 3.309 1.00 0.00 H new ATOM 1533 N LYS A 99 2.118 7.086 -2.401 1.00 0.00 N ATOM 1534 CA LYS A 99 3.495 6.829 -2.804 1.00 0.00 C ATOM 1535 C LYS A 99 4.426 7.584 -1.873 1.00 0.00 C ATOM 1536 O LYS A 99 4.067 8.631 -1.322 1.00 0.00 O ATOM 1537 CB LYS A 99 3.743 7.265 -4.255 1.00 0.00 C ATOM 1538 CG LYS A 99 2.959 6.438 -5.281 1.00 0.00 C ATOM 1539 CD LYS A 99 2.634 7.123 -6.603 1.00 0.00 C ATOM 1540 CE LYS A 99 3.809 7.111 -7.578 1.00 0.00 C ATOM 1541 NZ LYS A 99 3.433 7.861 -8.785 1.00 0.00 N ATOM 0 H LYS A 99 1.945 8.072 -2.206 1.00 0.00 H new ATOM 0 HA LYS A 99 3.685 5.757 -2.742 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.472 8.315 -4.362 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.808 7.187 -4.473 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.528 5.534 -5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.022 6.123 -4.821 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.780 6.627 -7.064 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.338 8.154 -6.410 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.688 7.559 -7.115 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.073 6.086 -7.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.842 7.399 -9.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.397 7.881 -8.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.794 8.834 -8.716 1.00 0.00 H new ATOM 1555 N MET A 100 5.635 7.067 -1.701 1.00 0.00 N ATOM 1556 CA MET A 100 6.535 7.499 -0.647 1.00 0.00 C ATOM 1557 C MET A 100 7.985 7.378 -1.095 1.00 0.00 C ATOM 1558 O MET A 100 8.331 6.442 -1.812 1.00 0.00 O ATOM 1559 CB MET A 100 6.283 6.676 0.630 1.00 0.00 C ATOM 1560 CG MET A 100 5.737 5.248 0.417 1.00 0.00 C ATOM 1561 SD MET A 100 5.678 4.143 1.863 1.00 0.00 S ATOM 1562 CE MET A 100 6.591 5.047 3.137 1.00 0.00 C ATOM 0 H MET A 100 6.019 6.331 -2.294 1.00 0.00 H new ATOM 0 HA MET A 100 6.341 8.549 -0.427 1.00 0.00 H new ATOM 0 HB2 MET A 100 7.219 6.607 1.185 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.580 7.223 1.258 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.727 5.331 0.016 1.00 0.00 H new ATOM 0 HG3 MET A 100 6.345 4.767 -0.349 1.00 0.00 H new ATOM 0 HE1 MET A 100 6.463 4.549 4.098 1.00 0.00 H new ATOM 0 HE2 MET A 100 7.650 5.071 2.878 1.00 0.00 H new ATOM 0 HE3 MET A 100 6.211 6.066 3.203 1.00 0.00 H new ATOM 1572 N GLU A 101 8.827 8.312 -0.650 1.00 0.00 N ATOM 1573 CA GLU A 101 10.283 8.253 -0.696 1.00 0.00 C ATOM 1574 C GLU A 101 10.706 7.012 0.091 1.00 0.00 C ATOM 1575 O GLU A 101 10.261 6.840 1.232 1.00 0.00 O ATOM 1576 CB GLU A 101 10.846 9.530 -0.035 1.00 0.00 C ATOM 1577 CG GLU A 101 12.384 9.592 -0.023 1.00 0.00 C ATOM 1578 CD GLU A 101 12.912 10.640 0.969 1.00 0.00 C ATOM 1579 OE1 GLU A 101 12.593 11.846 0.822 1.00 0.00 O ATOM 1580 OE2 GLU A 101 13.650 10.255 1.913 1.00 0.00 O ATOM 0 H GLU A 101 8.490 9.176 -0.225 1.00 0.00 H new ATOM 0 HA GLU A 101 10.658 8.194 -1.718 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.460 10.402 -0.562 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.480 9.590 0.990 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.784 8.612 0.238 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.745 9.827 -1.024 1.00 0.00 H new ATOM 1587 N ILE A 102 11.535 6.143 -0.493 1.00 0.00 N ATOM 1588 CA ILE A 102 12.144 5.043 0.240 1.00 0.00 C ATOM 1589 C ILE A 102 13.439 5.509 0.899 1.00 0.00 C ATOM 1590 O ILE A 102 14.512 5.517 0.290 1.00 0.00 O ATOM 1591 CB ILE A 102 12.389 3.800 -0.637 1.00 0.00 C ATOM 1592 CG1 ILE A 102 12.962 4.121 -2.033 1.00 0.00 C ATOM 1593 CG2 ILE A 102 11.103 2.983 -0.817 1.00 0.00 C ATOM 1594 CD1 ILE A 102 13.775 2.989 -2.661 1.00 0.00 C ATOM 0 H ILE A 102 11.798 6.185 -1.478 1.00 0.00 H new ATOM 0 HA ILE A 102 11.436 4.737 1.010 1.00 0.00 H new ATOM 0 HB ILE A 102 13.138 3.223 -0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 102 12.138 4.373 -2.701 1.00 0.00 H new ATOM 0 HG13 ILE A 102 13.594 5.006 -1.958 1.00 0.00 H new ATOM 0 HG21 ILE A 102 11.309 2.113 -1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.742 2.654 0.157 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.343 3.601 -1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 102 14.139 3.302 -3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.622 2.750 -2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 102 13.144 2.107 -2.773 1.00 0.00 H new ATOM 1606 N SER A 103 13.325 5.882 2.164 1.00 0.00 N ATOM 1607 CA SER A 103 14.429 6.397 2.961 1.00 0.00 C ATOM 1608 C SER A 103 15.316 5.283 3.538 1.00 0.00 C ATOM 1609 O SER A 103 16.419 5.567 4.003 1.00 0.00 O ATOM 1610 CB SER A 103 13.848 7.283 4.062 1.00 0.00 C ATOM 1611 OG SER A 103 12.940 8.225 3.507 1.00 0.00 O ATOM 0 H SER A 103 12.444 5.834 2.677 1.00 0.00 H new ATOM 0 HA SER A 103 15.087 6.982 2.318 1.00 0.00 H new ATOM 0 HB2 SER A 103 13.337 6.667 4.802 1.00 0.00 H new ATOM 0 HB3 SER A 103 14.652 7.805 4.581 1.00 0.00 H new ATOM 0 HG SER A 103 13.439 8.909 3.013 1.00 0.00 H new ATOM 1617 N ASP A 104 14.888 4.023 3.466 1.00 0.00 N ATOM 1618 CA ASP A 104 15.661 2.829 3.799 1.00 0.00 C ATOM 1619 C ASP A 104 15.379 1.883 2.645 1.00 0.00 C ATOM 1620 O ASP A 104 14.341 1.220 2.624 1.00 0.00 O ATOM 1621 CB ASP A 104 15.216 2.175 5.118 1.00 0.00 C ATOM 1622 CG ASP A 104 16.012 2.503 6.381 1.00 0.00 C ATOM 1623 OD1 ASP A 104 17.253 2.711 6.304 1.00 0.00 O ATOM 1624 OD2 ASP A 104 15.410 2.383 7.471 1.00 0.00 O ATOM 0 H ASP A 104 13.942 3.797 3.157 1.00 0.00 H new ATOM 0 HA ASP A 104 16.715 3.071 3.936 1.00 0.00 H new ATOM 0 HB2 ASP A 104 14.177 2.453 5.296 1.00 0.00 H new ATOM 0 HB3 ASP A 104 15.238 1.094 4.980 1.00 0.00 H new ATOM 1629 N GLU A 105 16.268 1.845 1.654 1.00 0.00 N ATOM 1630 CA GLU A 105 16.185 0.843 0.589 1.00 0.00 C ATOM 1631 C GLU A 105 16.800 -0.489 1.048 1.00 0.00 C ATOM 1632 O GLU A 105 16.713 -1.493 0.342 1.00 0.00 O ATOM 1633 CB GLU A 105 16.754 1.414 -0.729 1.00 0.00 C ATOM 1634 CG GLU A 105 18.028 0.773 -1.299 1.00 0.00 C ATOM 1635 CD GLU A 105 18.445 1.407 -2.625 1.00 0.00 C ATOM 1636 OE1 GLU A 105 18.924 2.556 -2.614 1.00 0.00 O ATOM 1637 OE2 GLU A 105 18.271 0.731 -3.674 1.00 0.00 O ATOM 0 H GLU A 105 17.051 2.492 1.565 1.00 0.00 H new ATOM 0 HA GLU A 105 15.143 0.607 0.371 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.975 1.342 -1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 105 16.953 2.475 -0.576 1.00 0.00 H new ATOM 0 HG2 GLU A 105 18.839 0.875 -0.578 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.863 -0.295 -1.444 1.00 0.00 H new ATOM 1644 N GLY A 106 17.386 -0.512 2.245 1.00 0.00 N ATOM 1645 CA GLY A 106 17.948 -1.714 2.848 1.00 0.00 C ATOM 1646 C GLY A 106 16.812 -2.652 3.231 1.00 0.00 C ATOM 1647 O GLY A 106 16.745 -3.790 2.762 1.00 0.00 O ATOM 0 H GLY A 106 17.484 0.318 2.830 1.00 0.00 H new ATOM 0 HA2 GLY A 106 18.623 -2.206 2.148 1.00 0.00 H new ATOM 0 HA3 GLY A 106 18.535 -1.454 3.729 1.00 0.00 H new ATOM 1651 N GLU A 107 15.884 -2.118 4.026 1.00 0.00 N ATOM 1652 CA GLU A 107 14.794 -2.840 4.669 1.00 0.00 C ATOM 1653 C GLU A 107 13.855 -3.527 3.683 1.00 0.00 C ATOM 1654 O GLU A 107 13.154 -4.428 4.116 1.00 0.00 O ATOM 1655 CB GLU A 107 13.998 -1.865 5.553 1.00 0.00 C ATOM 1656 CG GLU A 107 14.482 -1.777 6.997 1.00 0.00 C ATOM 1657 CD GLU A 107 15.998 -1.723 7.125 1.00 0.00 C ATOM 1658 OE1 GLU A 107 16.585 -0.700 6.714 1.00 0.00 O ATOM 1659 OE2 GLU A 107 16.583 -2.651 7.715 1.00 0.00 O ATOM 0 H GLU A 107 15.875 -1.122 4.247 1.00 0.00 H new ATOM 0 HA GLU A 107 15.243 -3.632 5.268 1.00 0.00 H new ATOM 0 HB2 GLU A 107 14.043 -0.871 5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.951 -2.167 5.552 1.00 0.00 H new ATOM 0 HG2 GLU A 107 14.054 -0.889 7.462 1.00 0.00 H new ATOM 0 HG3 GLU A 107 14.109 -2.639 7.551 1.00 0.00 H new ATOM 1666 N LEU A 108 13.824 -3.162 2.394 1.00 0.00 N ATOM 1667 CA LEU A 108 13.140 -3.887 1.329 1.00 0.00 C ATOM 1668 C LEU A 108 13.390 -5.396 1.427 1.00 0.00 C ATOM 1669 O LEU A 108 12.471 -6.174 1.192 1.00 0.00 O ATOM 1670 CB LEU A 108 13.581 -3.416 -0.056 1.00 0.00 C ATOM 1671 CG LEU A 108 13.460 -1.931 -0.422 1.00 0.00 C ATOM 1672 CD1 LEU A 108 13.549 -1.741 -1.932 1.00 0.00 C ATOM 1673 CD2 LEU A 108 12.171 -1.270 0.039 1.00 0.00 C ATOM 0 H LEU A 108 14.294 -2.321 2.058 1.00 0.00 H new ATOM 0 HA LEU A 108 12.078 -3.680 1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.626 -3.699 -0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 108 13.008 -3.981 -0.791 1.00 0.00 H new ATOM 0 HG LEU A 108 14.289 -1.455 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.461 -0.681 -2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 108 14.508 -2.115 -2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.742 -2.290 -2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 108 12.171 -0.222 -0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 108 11.320 -1.778 -0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 108 12.097 -1.335 1.125 1.00 0.00 H new ATOM 1685 N GLU A 109 14.595 -5.820 1.811 1.00 0.00 N ATOM 1686 CA GLU A 109 14.918 -7.240 1.884 1.00 0.00 C ATOM 1687 C GLU A 109 14.285 -7.919 3.109 1.00 0.00 C ATOM 1688 O GLU A 109 14.189 -9.149 3.133 1.00 0.00 O ATOM 1689 CB GLU A 109 16.442 -7.437 1.815 1.00 0.00 C ATOM 1690 CG GLU A 109 17.053 -6.889 0.512 1.00 0.00 C ATOM 1691 CD GLU A 109 16.468 -7.546 -0.742 1.00 0.00 C ATOM 1692 OE1 GLU A 109 15.367 -7.146 -1.172 1.00 0.00 O ATOM 1693 OE2 GLU A 109 17.098 -8.466 -1.311 1.00 0.00 O ATOM 0 H GLU A 109 15.360 -5.199 2.075 1.00 0.00 H new ATOM 0 HA GLU A 109 14.478 -7.737 1.020 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.907 -6.941 2.667 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.671 -8.499 1.901 1.00 0.00 H new ATOM 0 HG2 GLU A 109 16.887 -5.813 0.463 1.00 0.00 H new ATOM 0 HG3 GLU A 109 18.132 -7.045 0.528 1.00 0.00 H new ATOM 1700 N ASP A 110 13.772 -7.156 4.079 1.00 0.00 N ATOM 1701 CA ASP A 110 12.993 -7.669 5.207 1.00 0.00 C ATOM 1702 C ASP A 110 11.607 -8.105 4.718 1.00 0.00 C ATOM 1703 O ASP A 110 11.024 -9.057 5.249 1.00 0.00 O ATOM 1704 CB ASP A 110 12.740 -6.621 6.314 1.00 0.00 C ATOM 1705 CG ASP A 110 13.934 -5.888 6.931 1.00 0.00 C ATOM 1706 OD1 ASP A 110 15.106 -6.154 6.587 1.00 0.00 O ATOM 1707 OD2 ASP A 110 13.663 -5.023 7.799 1.00 0.00 O ATOM 0 H ASP A 110 13.890 -6.143 4.101 1.00 0.00 H new ATOM 0 HA ASP A 110 13.583 -8.488 5.618 1.00 0.00 H new ATOM 0 HB2 ASP A 110 12.067 -5.867 5.905 1.00 0.00 H new ATOM 0 HB3 ASP A 110 12.207 -7.120 7.123 1.00 0.00 H new ATOM 1712 N LEU A 111 11.043 -7.387 3.736 1.00 0.00 N ATOM 1713 CA LEU A 111 9.716 -7.623 3.172 1.00 0.00 C ATOM 1714 C LEU A 111 9.772 -8.888 2.340 1.00 0.00 C ATOM 1715 O LEU A 111 10.837 -9.416 2.016 1.00 0.00 O ATOM 1716 CB LEU A 111 9.317 -6.479 2.227 1.00 0.00 C ATOM 1717 CG LEU A 111 9.116 -5.060 2.752 1.00 0.00 C ATOM 1718 CD1 LEU A 111 7.839 -4.884 3.569 1.00 0.00 C ATOM 1719 CD2 LEU A 111 10.337 -4.541 3.426 1.00 0.00 C ATOM 0 H LEU A 111 11.520 -6.598 3.300 1.00 0.00 H new ATOM 0 HA LEU A 111 8.997 -7.698 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 111 10.079 -6.427 1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 111 8.387 -6.775 1.742 1.00 0.00 H new ATOM 0 HG LEU A 111 8.959 -4.428 1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 111 7.764 -3.851 3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.975 -5.126 2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.865 -5.549 4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 111 10.152 -3.529 3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 111 10.589 -5.185 4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 111 11.166 -4.529 2.718 1.00 0.00 H new ATOM 1731 N LEU A 112 8.602 -9.376 1.966 1.00 0.00 N ATOM 1732 CA LEU A 112 8.467 -10.586 1.189 1.00 0.00 C ATOM 1733 C LEU A 112 8.790 -10.260 -0.260 1.00 0.00 C ATOM 1734 O LEU A 112 8.236 -9.303 -0.810 1.00 0.00 O ATOM 1735 CB LEU A 112 7.034 -11.093 1.339 1.00 0.00 C ATOM 1736 CG LEU A 112 6.723 -11.523 2.784 1.00 0.00 C ATOM 1737 CD1 LEU A 112 5.216 -11.548 2.947 1.00 0.00 C ATOM 1738 CD2 LEU A 112 7.311 -12.895 3.124 1.00 0.00 C ATOM 0 H LEU A 112 7.712 -8.935 2.198 1.00 0.00 H new ATOM 0 HA LEU A 112 9.150 -11.364 1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.339 -10.310 1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.876 -11.937 0.668 1.00 0.00 H new ATOM 0 HG LEU A 112 7.182 -10.810 3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.965 -11.850 3.964 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.813 -10.554 2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.785 -12.258 2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 112 7.063 -13.152 4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.894 -13.646 2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 112 8.394 -12.865 3.008 1.00 0.00 H new ATOM 1750 N ASP A 113 9.642 -11.073 -0.889 1.00 0.00 N ATOM 1751 CA ASP A 113 9.689 -11.180 -2.347 1.00 0.00 C ATOM 1752 C ASP A 113 8.293 -11.541 -2.856 1.00 0.00 C ATOM 1753 O ASP A 113 7.404 -11.936 -2.113 1.00 0.00 O ATOM 1754 CB ASP A 113 10.624 -12.327 -2.793 1.00 0.00 C ATOM 1755 CG ASP A 113 12.097 -11.974 -2.771 1.00 0.00 C ATOM 1756 OD1 ASP A 113 12.461 -10.964 -3.405 1.00 0.00 O ATOM 1757 OD2 ASP A 113 12.904 -12.709 -2.157 1.00 0.00 O ATOM 0 H ASP A 113 10.313 -11.670 -0.406 1.00 0.00 H new ATOM 0 HA ASP A 113 10.046 -10.229 -2.741 1.00 0.00 H new ATOM 0 HB2 ASP A 113 10.459 -13.188 -2.145 1.00 0.00 H new ATOM 0 HB3 ASP A 113 10.350 -12.631 -3.803 1.00 0.00 H new ATOM 1762 N GLU A 114 8.118 -11.510 -4.162 1.00 0.00 N ATOM 1763 CA GLU A 114 6.889 -11.862 -4.850 1.00 0.00 C ATOM 1764 C GLU A 114 6.602 -13.366 -4.750 1.00 0.00 C ATOM 1765 O GLU A 114 5.463 -13.772 -4.532 1.00 0.00 O ATOM 1766 CB GLU A 114 7.097 -11.376 -6.281 1.00 0.00 C ATOM 1767 CG GLU A 114 5.930 -11.588 -7.238 1.00 0.00 C ATOM 1768 CD GLU A 114 6.421 -11.149 -8.614 1.00 0.00 C ATOM 1769 OE1 GLU A 114 6.523 -9.928 -8.877 1.00 0.00 O ATOM 1770 OE2 GLU A 114 6.894 -12.032 -9.368 1.00 0.00 O ATOM 0 H GLU A 114 8.860 -11.227 -4.802 1.00 0.00 H new ATOM 0 HA GLU A 114 6.007 -11.398 -4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.327 -10.311 -6.251 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.972 -11.880 -6.691 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.622 -12.633 -7.250 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.063 -11.004 -6.930 1.00 0.00 H new ATOM 1777 N GLN A 115 7.634 -14.206 -4.854 1.00 0.00 N ATOM 1778 CA GLN A 115 7.526 -15.630 -4.593 1.00 0.00 C ATOM 1779 C GLN A 115 7.180 -15.853 -3.114 1.00 0.00 C ATOM 1780 O GLN A 115 6.288 -16.636 -2.791 1.00 0.00 O ATOM 1781 CB GLN A 115 8.861 -16.270 -5.013 1.00 0.00 C ATOM 1782 CG GLN A 115 9.228 -17.604 -4.356 1.00 0.00 C ATOM 1783 CD GLN A 115 8.241 -18.750 -4.574 1.00 0.00 C ATOM 1784 OE1 GLN A 115 7.413 -18.722 -5.484 1.00 0.00 O ATOM 1785 NE2 GLN A 115 8.323 -19.776 -3.745 1.00 0.00 N ATOM 0 H GLN A 115 8.571 -13.908 -5.124 1.00 0.00 H new ATOM 0 HA GLN A 115 6.725 -16.099 -5.164 1.00 0.00 H new ATOM 0 HB2 GLN A 115 8.841 -16.418 -6.093 1.00 0.00 H new ATOM 0 HB3 GLN A 115 9.659 -15.558 -4.803 1.00 0.00 H new ATOM 0 HG2 GLN A 115 10.204 -17.915 -4.730 1.00 0.00 H new ATOM 0 HG3 GLN A 115 9.335 -17.441 -3.284 1.00 0.00 H new ATOM 0 HE21 GLN A 115 9.018 -19.774 -2.999 1.00 0.00 H new ATOM 0 HE22 GLN A 115 7.691 -20.569 -3.851 1.00 0.00 H new ATOM 1794 N ALA A 116 7.871 -15.147 -2.213 1.00 0.00 N ATOM 1795 CA ALA A 116 7.670 -15.270 -0.774 1.00 0.00 C ATOM 1796 C ALA A 116 6.253 -14.852 -0.380 1.00 0.00 C ATOM 1797 O ALA A 116 5.647 -15.441 0.512 1.00 0.00 O ATOM 1798 CB ALA A 116 8.686 -14.392 -0.047 1.00 0.00 C ATOM 0 H ALA A 116 8.590 -14.470 -2.469 1.00 0.00 H new ATOM 0 HA ALA A 116 7.808 -16.313 -0.491 1.00 0.00 H new ATOM 0 HB1 ALA A 116 8.539 -14.481 1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 116 9.695 -14.714 -0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 116 8.550 -13.353 -0.347 1.00 0.00 H new ATOM 1804 N TYR A 117 5.725 -13.825 -1.039 1.00 0.00 N ATOM 1805 CA TYR A 117 4.379 -13.307 -0.866 1.00 0.00 C ATOM 1806 C TYR A 117 3.339 -14.373 -1.205 1.00 0.00 C ATOM 1807 O TYR A 117 2.409 -14.580 -0.428 1.00 0.00 O ATOM 1808 CB TYR A 117 4.264 -12.055 -1.739 1.00 0.00 C ATOM 1809 CG TYR A 117 2.861 -11.590 -2.033 1.00 0.00 C ATOM 1810 CD1 TYR A 117 2.072 -11.044 -1.008 1.00 0.00 C ATOM 1811 CD2 TYR A 117 2.360 -11.679 -3.342 1.00 0.00 C ATOM 1812 CE1 TYR A 117 0.780 -10.568 -1.276 1.00 0.00 C ATOM 1813 CE2 TYR A 117 1.080 -11.186 -3.627 1.00 0.00 C ATOM 1814 CZ TYR A 117 0.293 -10.618 -2.603 1.00 0.00 C ATOM 1815 OH TYR A 117 -0.953 -10.182 -2.909 1.00 0.00 O ATOM 0 H TYR A 117 6.253 -13.308 -1.742 1.00 0.00 H new ATOM 0 HA TYR A 117 4.185 -13.038 0.172 1.00 0.00 H new ATOM 0 HB2 TYR A 117 4.801 -11.243 -1.250 1.00 0.00 H new ATOM 0 HB3 TYR A 117 4.769 -12.247 -2.686 1.00 0.00 H new ATOM 0 HD1 TYR A 117 2.464 -10.990 -0.003 1.00 0.00 H new ATOM 0 HD2 TYR A 117 2.957 -12.124 -4.124 1.00 0.00 H new ATOM 0 HE1 TYR A 117 0.167 -10.170 -0.481 1.00 0.00 H new ATOM 0 HE2 TYR A 117 0.694 -11.241 -4.634 1.00 0.00 H new ATOM 0 HH TYR A 117 -1.112 -10.293 -3.870 1.00 0.00 H new ATOM 1825 N GLN A 118 3.525 -15.090 -2.316 1.00 0.00 N ATOM 1826 CA GLN A 118 2.699 -16.241 -2.666 1.00 0.00 C ATOM 1827 C GLN A 118 2.696 -17.259 -1.518 1.00 0.00 C ATOM 1828 O GLN A 118 1.635 -17.716 -1.097 1.00 0.00 O ATOM 1829 CB GLN A 118 3.163 -16.813 -4.023 1.00 0.00 C ATOM 1830 CG GLN A 118 3.403 -18.330 -4.091 1.00 0.00 C ATOM 1831 CD GLN A 118 3.493 -18.771 -5.543 1.00 0.00 C ATOM 1832 OE1 GLN A 118 2.479 -19.105 -6.152 1.00 0.00 O ATOM 1833 NE2 GLN A 118 4.662 -18.718 -6.154 1.00 0.00 N ATOM 0 H GLN A 118 4.255 -14.886 -2.998 1.00 0.00 H new ATOM 0 HA GLN A 118 1.658 -15.946 -2.797 1.00 0.00 H new ATOM 0 HB2 GLN A 118 2.417 -16.553 -4.774 1.00 0.00 H new ATOM 0 HB3 GLN A 118 4.088 -16.310 -4.305 1.00 0.00 H new ATOM 0 HG2 GLN A 118 4.323 -18.586 -3.566 1.00 0.00 H new ATOM 0 HG3 GLN A 118 2.592 -18.859 -3.590 1.00 0.00 H new ATOM 0 HE21 GLN A 118 5.496 -18.439 -5.637 1.00 0.00 H new ATOM 0 HE22 GLN A 118 4.732 -18.956 -7.143 1.00 0.00 H new ATOM 1842 N GLU A 119 3.871 -17.597 -0.988 1.00 0.00 N ATOM 1843 CA GLU A 119 3.992 -18.564 0.096 1.00 0.00 C ATOM 1844 C GLU A 119 3.311 -18.058 1.382 1.00 0.00 C ATOM 1845 O GLU A 119 2.787 -18.852 2.162 1.00 0.00 O ATOM 1846 CB GLU A 119 5.481 -18.893 0.322 1.00 0.00 C ATOM 1847 CG GLU A 119 5.811 -20.381 0.174 1.00 0.00 C ATOM 1848 CD GLU A 119 5.078 -21.278 1.175 1.00 0.00 C ATOM 1849 OE1 GLU A 119 5.242 -21.059 2.400 1.00 0.00 O ATOM 1850 OE2 GLU A 119 4.394 -22.219 0.720 1.00 0.00 O ATOM 0 H GLU A 119 4.761 -17.208 -1.299 1.00 0.00 H new ATOM 0 HA GLU A 119 3.473 -19.481 -0.184 1.00 0.00 H new ATOM 0 HB2 GLU A 119 6.082 -18.324 -0.388 1.00 0.00 H new ATOM 0 HB3 GLU A 119 5.770 -18.563 1.320 1.00 0.00 H new ATOM 0 HG2 GLU A 119 5.560 -20.700 -0.838 1.00 0.00 H new ATOM 0 HG3 GLU A 119 6.885 -20.519 0.295 1.00 0.00 H new ATOM 1857 N PHE A 120 3.295 -16.744 1.631 1.00 0.00 N ATOM 1858 CA PHE A 120 2.591 -16.173 2.779 1.00 0.00 C ATOM 1859 C PHE A 120 1.073 -16.269 2.584 1.00 0.00 C ATOM 1860 O PHE A 120 0.343 -16.467 3.554 1.00 0.00 O ATOM 1861 CB PHE A 120 3.035 -14.723 3.012 1.00 0.00 C ATOM 1862 CG PHE A 120 2.724 -14.219 4.410 1.00 0.00 C ATOM 1863 CD1 PHE A 120 3.444 -14.730 5.506 1.00 0.00 C ATOM 1864 CD2 PHE A 120 1.707 -13.272 4.637 1.00 0.00 C ATOM 1865 CE1 PHE A 120 3.157 -14.294 6.810 1.00 0.00 C ATOM 1866 CE2 PHE A 120 1.454 -12.800 5.937 1.00 0.00 C ATOM 1867 CZ PHE A 120 2.176 -13.311 7.027 1.00 0.00 C ATOM 0 H PHE A 120 3.766 -16.053 1.047 1.00 0.00 H new ATOM 0 HA PHE A 120 2.847 -16.749 3.668 1.00 0.00 H new ATOM 0 HB2 PHE A 120 4.108 -14.646 2.835 1.00 0.00 H new ATOM 0 HB3 PHE A 120 2.544 -14.078 2.283 1.00 0.00 H new ATOM 0 HD1 PHE A 120 4.222 -15.462 5.343 1.00 0.00 H new ATOM 0 HD2 PHE A 120 1.118 -12.906 3.809 1.00 0.00 H new ATOM 0 HE1 PHE A 120 3.692 -14.715 7.648 1.00 0.00 H new ATOM 0 HE2 PHE A 120 0.702 -12.042 6.097 1.00 0.00 H new ATOM 0 HZ PHE A 120 1.979 -12.951 8.026 1.00 0.00 H new ATOM 1877 N CYS A 121 0.591 -16.171 1.338 1.00 0.00 N ATOM 1878 CA CYS A 121 -0.807 -16.423 1.017 1.00 0.00 C ATOM 1879 C CYS A 121 -1.148 -17.896 1.253 1.00 0.00 C ATOM 1880 O CYS A 121 -2.225 -18.210 1.759 1.00 0.00 O ATOM 1881 CB CYS A 121 -1.114 -16.034 -0.437 1.00 0.00 C ATOM 1882 SG CYS A 121 -2.881 -15.621 -0.558 1.00 0.00 S ATOM 0 H CYS A 121 1.162 -15.916 0.532 1.00 0.00 H new ATOM 0 HA CYS A 121 -1.423 -15.808 1.673 1.00 0.00 H new ATOM 0 HB2 CYS A 121 -0.504 -15.183 -0.739 1.00 0.00 H new ATOM 0 HB3 CYS A 121 -0.869 -16.856 -1.110 1.00 0.00 H new ATOM 0 HG CYS A 121 -3.166 -15.286 -1.781 1.00 0.00 H new ATOM 1888 N ALA A 122 -0.243 -18.816 0.902 1.00 0.00 N ATOM 1889 CA ALA A 122 -0.465 -20.252 1.064 1.00 0.00 C ATOM 1890 C ALA A 122 -0.654 -20.646 2.535 1.00 0.00 C ATOM 1891 O ALA A 122 -1.304 -21.656 2.813 1.00 0.00 O ATOM 1892 CB ALA A 122 0.684 -21.041 0.425 1.00 0.00 C ATOM 0 H ALA A 122 0.664 -18.583 0.498 1.00 0.00 H new ATOM 0 HA ALA A 122 -1.393 -20.503 0.550 1.00 0.00 H new ATOM 0 HB1 ALA A 122 0.507 -22.109 0.552 1.00 0.00 H new ATOM 0 HB2 ALA A 122 0.739 -20.807 -0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 122 1.624 -20.769 0.906 1.00 0.00 H new ATOM 1898 N GLN A 123 -0.106 -19.863 3.467 1.00 0.00 N ATOM 1899 CA GLN A 123 -0.197 -20.056 4.912 1.00 0.00 C ATOM 1900 C GLN A 123 -1.243 -19.116 5.543 1.00 0.00 C ATOM 1901 O GLN A 123 -1.335 -19.063 6.773 1.00 0.00 O ATOM 1902 CB GLN A 123 1.208 -19.830 5.510 1.00 0.00 C ATOM 1903 CG GLN A 123 2.199 -20.972 5.212 1.00 0.00 C ATOM 1904 CD GLN A 123 2.279 -21.985 6.355 1.00 0.00 C ATOM 1905 OE1 GLN A 123 2.973 -21.759 7.339 1.00 0.00 O ATOM 1906 NE2 GLN A 123 1.603 -23.118 6.272 1.00 0.00 N ATOM 0 H GLN A 123 0.440 -19.037 3.220 1.00 0.00 H new ATOM 0 HA GLN A 123 -0.532 -21.070 5.132 1.00 0.00 H new ATOM 0 HB2 GLN A 123 1.614 -18.897 5.119 1.00 0.00 H new ATOM 0 HB3 GLN A 123 1.119 -19.711 6.590 1.00 0.00 H new ATOM 0 HG2 GLN A 123 1.897 -21.483 4.298 1.00 0.00 H new ATOM 0 HG3 GLN A 123 3.189 -20.553 5.031 1.00 0.00 H new ATOM 0 HE21 GLN A 123 1.025 -23.308 5.454 1.00 0.00 H new ATOM 0 HE22 GLN A 123 1.660 -23.802 7.026 1.00 0.00 H new ATOM 1915 N GLU A 124 -1.994 -18.338 4.754 1.00 0.00 N ATOM 1916 CA GLU A 124 -2.991 -17.392 5.254 1.00 0.00 C ATOM 1917 C GLU A 124 -4.132 -18.144 5.919 1.00 0.00 C ATOM 1918 O GLU A 124 -4.548 -17.723 7.018 1.00 0.00 O ATOM 1919 CB GLU A 124 -3.479 -16.494 4.102 1.00 0.00 C ATOM 1920 CG GLU A 124 -4.331 -15.285 4.529 1.00 0.00 C ATOM 1921 CD GLU A 124 -3.536 -13.971 4.588 1.00 0.00 C ATOM 1922 OE1 GLU A 124 -2.971 -13.639 5.654 1.00 0.00 O ATOM 1923 OE2 GLU A 124 -3.528 -13.212 3.588 1.00 0.00 O ATOM 0 H GLU A 124 -1.923 -18.350 3.737 1.00 0.00 H new ATOM 0 HA GLU A 124 -2.544 -16.745 6.009 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -2.610 -16.130 3.553 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -4.061 -17.102 3.410 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -5.160 -15.169 3.831 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -4.765 -15.483 5.509 1.00 0.00 H new TER 1930 GLU A 124