USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 507 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 57 ZNZN :(H bumps) USER MOD Set 1.1: A 37 LYS NZ :NH3+ 147:sc= -0.46 (180deg=-2.13!) USER MOD Set 1.2: B 307 C O2' : rot -34:sc= 0.176 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.78 USER MOD Single : A 5 SER OG : rot 38:sc= 0.205 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0514 K(o=-0.051,f=-1.1) USER MOD Single : A 12 GLN : amide:sc= -0.182 K(o=-0.18,f=-2.1!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0017 X(o=-0.0017,f=0) USER MOD Single : A 25 GLN :FLIP amide:sc= -1.35 F(o=-2!,f=-1.3) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 154:sc= 0.649 (180deg=0.37) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -114:sc= 1.38 (180deg=-0.447!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : B 304 U O2' : rot 44:sc= 0.301 USER MOD Single : B 305 A O2' : rot -37:sc= 0.389 USER MOD Single : B 306 U O2' : rot 71:sc= -2.09! USER MOD Single : B 308 U O2' : rot -15:sc= 1.23 USER MOD Single : B 309 G O2' : rot -26:sc= -0.527! USER MOD Single : B 309 G O3' : rot 180:sc= 0.326 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.060 -5.944 7.522 1.00 0.00 N ATOM 2 CA ALA A 1 -2.834 -5.280 7.113 1.00 0.00 C ATOM 3 C ALA A 1 -2.597 -5.529 5.622 1.00 0.00 C ATOM 4 O ALA A 1 -2.459 -6.675 5.195 1.00 0.00 O ATOM 5 CB ALA A 1 -1.673 -5.773 7.979 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.224 -5.777 8.535 1.00 0.00 H new ATOM 0 H2 ALA A 1 -4.859 -5.565 6.975 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.976 -6.966 7.349 1.00 0.00 H new ATOM 0 HA ALA A 1 -2.914 -4.203 7.258 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.753 -5.275 7.672 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -1.877 -5.546 9.025 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.560 -6.850 7.857 1.00 0.00 H new ATOM 11 N THR A 2 -2.555 -4.439 4.872 1.00 0.00 N ATOM 12 CA THR A 2 -2.336 -4.525 3.438 1.00 0.00 C ATOM 13 C THR A 2 -0.876 -4.216 3.101 1.00 0.00 C ATOM 14 O THR A 2 -0.240 -3.402 3.770 1.00 0.00 O ATOM 15 CB THR A 2 -3.330 -3.585 2.751 1.00 0.00 C ATOM 16 OG1 THR A 2 -3.160 -3.855 1.362 1.00 0.00 O ATOM 17 CG2 THR A 2 -2.938 -2.112 2.894 1.00 0.00 C ATOM 0 H THR A 2 -2.669 -3.491 5.230 1.00 0.00 H new ATOM 0 HA THR A 2 -2.514 -5.536 3.071 1.00 0.00 H new ATOM 0 HB THR A 2 -4.324 -3.739 3.171 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.768 -3.289 0.842 1.00 0.00 H new ATOM 0 HG21 THR A 2 -3.676 -1.488 2.389 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.900 -1.846 3.950 1.00 0.00 H new ATOM 0 HG23 THR A 2 -1.958 -1.951 2.444 1.00 0.00 H new ATOM 25 N VAL A 3 -0.387 -4.881 2.065 1.00 0.00 N ATOM 26 CA VAL A 3 0.986 -4.688 1.632 1.00 0.00 C ATOM 27 C VAL A 3 1.004 -4.367 0.136 1.00 0.00 C ATOM 28 O VAL A 3 1.558 -5.126 -0.658 1.00 0.00 O ATOM 29 CB VAL A 3 1.826 -5.916 1.991 1.00 0.00 C ATOM 30 CG1 VAL A 3 1.376 -7.140 1.189 1.00 0.00 C ATOM 31 CG2 VAL A 3 3.316 -5.643 1.782 1.00 0.00 C ATOM 0 H VAL A 3 -0.918 -5.555 1.513 1.00 0.00 H new ATOM 0 HA VAL A 3 1.435 -3.841 2.151 1.00 0.00 H new ATOM 0 HB VAL A 3 1.671 -6.130 3.048 1.00 0.00 H new ATOM 0 HG11 VAL A 3 1.988 -7.999 1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.330 -7.355 1.409 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.489 -6.938 0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.889 -6.532 2.045 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.497 -5.390 0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.626 -4.812 2.415 1.00 0.00 H new ATOM 41 N VAL A 4 0.392 -3.243 -0.202 1.00 0.00 N ATOM 42 CA VAL A 4 0.332 -2.811 -1.589 1.00 0.00 C ATOM 43 C VAL A 4 1.264 -1.615 -1.789 1.00 0.00 C ATOM 44 O VAL A 4 1.359 -0.747 -0.922 1.00 0.00 O ATOM 45 CB VAL A 4 -1.117 -2.512 -1.980 1.00 0.00 C ATOM 46 CG1 VAL A 4 -2.029 -3.696 -1.652 1.00 0.00 C ATOM 47 CG2 VAL A 4 -1.615 -1.233 -1.305 1.00 0.00 C ATOM 0 H VAL A 4 -0.067 -2.617 0.460 1.00 0.00 H new ATOM 0 HA VAL A 4 0.678 -3.605 -2.251 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.147 -2.355 -3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.053 -3.457 -1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.694 -4.576 -2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.991 -3.899 -0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.647 -1.044 -1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.562 -1.349 -0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.991 -0.393 -1.611 1.00 0.00 H new ATOM 57 N SER A 5 1.928 -1.608 -2.935 1.00 0.00 N ATOM 58 CA SER A 5 2.849 -0.532 -3.259 1.00 0.00 C ATOM 59 C SER A 5 3.050 -0.454 -4.773 1.00 0.00 C ATOM 60 O SER A 5 3.029 -1.474 -5.460 1.00 0.00 O ATOM 61 CB SER A 5 4.193 -0.726 -2.554 1.00 0.00 C ATOM 62 OG SER A 5 4.262 -0.007 -1.327 1.00 0.00 O ATOM 0 H SER A 5 1.847 -2.330 -3.651 1.00 0.00 H new ATOM 0 HA SER A 5 2.417 0.405 -2.907 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.351 -1.787 -2.361 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.998 -0.398 -3.212 1.00 0.00 H new ATOM 0 HG SER A 5 3.391 -0.041 -0.878 1.00 0.00 H new ATOM 68 N GLY A 6 3.241 0.768 -5.251 1.00 0.00 N ATOM 69 CA GLY A 6 3.446 0.992 -6.671 1.00 0.00 C ATOM 70 C GLY A 6 2.509 2.083 -7.195 1.00 0.00 C ATOM 71 O GLY A 6 1.296 2.006 -7.009 1.00 0.00 O ATOM 0 H GLY A 6 3.258 1.612 -4.679 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.482 1.280 -6.852 1.00 0.00 H new ATOM 0 HA3 GLY A 6 3.273 0.065 -7.218 1.00 0.00 H new ATOM 75 N GLN A 7 3.108 3.073 -7.839 1.00 0.00 N ATOM 76 CA GLN A 7 2.343 4.179 -8.391 1.00 0.00 C ATOM 77 C GLN A 7 3.278 5.194 -9.051 1.00 0.00 C ATOM 78 O GLN A 7 3.866 6.035 -8.372 1.00 0.00 O ATOM 79 CB GLN A 7 1.485 4.844 -7.312 1.00 0.00 C ATOM 80 CG GLN A 7 -0.005 4.635 -7.591 1.00 0.00 C ATOM 81 CD GLN A 7 -0.648 5.919 -8.119 1.00 0.00 C ATOM 82 OE1 GLN A 7 -0.640 6.206 -9.304 1.00 0.00 O ATOM 83 NE2 GLN A 7 -1.206 6.672 -7.175 1.00 0.00 N ATOM 0 H GLN A 7 4.115 3.133 -7.991 1.00 0.00 H new ATOM 0 HA GLN A 7 1.670 3.786 -9.153 1.00 0.00 H new ATOM 0 HB2 GLN A 7 1.737 4.431 -6.336 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.705 5.911 -7.273 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -0.134 3.834 -8.318 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -0.509 4.320 -6.677 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -1.177 6.373 -6.200 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -1.663 7.549 -7.426 1.00 0.00 H new ATOM 92 N LYS A 8 3.385 5.083 -10.367 1.00 0.00 N ATOM 93 CA LYS A 8 4.239 5.981 -11.127 1.00 0.00 C ATOM 94 C LYS A 8 3.372 6.853 -12.036 1.00 0.00 C ATOM 95 O LYS A 8 2.198 6.555 -12.253 1.00 0.00 O ATOM 96 CB LYS A 8 5.315 5.192 -11.875 1.00 0.00 C ATOM 97 CG LYS A 8 6.591 5.078 -11.039 1.00 0.00 C ATOM 98 CD LYS A 8 7.750 5.823 -11.703 1.00 0.00 C ATOM 99 CE LYS A 8 7.912 7.225 -11.110 1.00 0.00 C ATOM 100 NZ LYS A 8 9.326 7.476 -10.754 1.00 0.00 N ATOM 0 H LYS A 8 2.895 4.385 -10.927 1.00 0.00 H new ATOM 0 HA LYS A 8 4.777 6.653 -10.458 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.941 4.196 -12.113 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.539 5.683 -12.822 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.415 5.485 -10.043 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.854 4.028 -10.912 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.673 5.259 -11.570 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.573 5.896 -12.776 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.574 7.972 -11.828 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.284 7.327 -10.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.419 8.431 -10.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.637 6.774 -10.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.917 7.399 -11.606 1.00 0.00 H new ATOM 114 N GLN A 9 3.983 7.912 -12.546 1.00 0.00 N ATOM 115 CA GLN A 9 3.281 8.830 -13.427 1.00 0.00 C ATOM 116 C GLN A 9 4.157 9.185 -14.631 1.00 0.00 C ATOM 117 O GLN A 9 5.382 9.092 -14.559 1.00 0.00 O ATOM 118 CB GLN A 9 2.847 10.090 -12.674 1.00 0.00 C ATOM 119 CG GLN A 9 4.062 10.899 -12.214 1.00 0.00 C ATOM 120 CD GLN A 9 3.763 11.642 -10.910 1.00 0.00 C ATOM 121 OE1 GLN A 9 2.625 11.782 -10.492 1.00 0.00 O ATOM 122 NE2 GLN A 9 4.846 12.108 -10.293 1.00 0.00 N ATOM 0 H GLN A 9 4.957 8.155 -12.366 1.00 0.00 H new ATOM 0 HA GLN A 9 2.380 8.336 -13.791 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.219 10.705 -13.318 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.242 9.812 -11.811 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.914 10.234 -12.071 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.342 11.613 -12.988 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.769 11.955 -10.698 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.753 12.618 -9.415 1.00 0.00 H new ATOM 131 N ASP A 10 3.495 9.583 -15.706 1.00 0.00 N ATOM 132 CA ASP A 10 4.199 9.952 -16.923 1.00 0.00 C ATOM 133 C ASP A 10 3.281 10.807 -17.798 1.00 0.00 C ATOM 134 O ASP A 10 2.069 10.835 -17.591 1.00 0.00 O ATOM 135 CB ASP A 10 4.597 8.712 -17.726 1.00 0.00 C ATOM 136 CG ASP A 10 5.852 8.874 -18.587 1.00 0.00 C ATOM 137 OD1 ASP A 10 6.955 8.728 -18.016 1.00 0.00 O ATOM 138 OD2 ASP A 10 5.681 9.142 -19.796 1.00 0.00 O ATOM 0 H ASP A 10 2.479 9.658 -15.761 1.00 0.00 H new ATOM 0 HA ASP A 10 5.097 10.502 -16.640 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.754 7.885 -17.034 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.765 8.434 -18.372 1.00 0.00 H new ATOM 143 N ARG A 11 3.893 11.484 -18.759 1.00 0.00 N ATOM 144 CA ARG A 11 3.146 12.337 -19.667 1.00 0.00 C ATOM 145 C ARG A 11 3.298 11.843 -21.107 1.00 0.00 C ATOM 146 O ARG A 11 4.415 11.648 -21.585 1.00 0.00 O ATOM 147 CB ARG A 11 3.626 13.788 -19.579 1.00 0.00 C ATOM 148 CG ARG A 11 2.447 14.744 -19.384 1.00 0.00 C ATOM 149 CD ARG A 11 2.305 15.145 -17.914 1.00 0.00 C ATOM 150 NE ARG A 11 1.341 14.249 -17.237 1.00 0.00 N ATOM 151 CZ ARG A 11 1.291 14.066 -15.910 1.00 0.00 C ATOM 152 NH1 ARG A 11 2.147 14.717 -15.111 1.00 0.00 N ATOM 153 NH2 ARG A 11 0.383 13.233 -15.382 1.00 0.00 N ATOM 0 H ARG A 11 4.899 11.459 -18.928 1.00 0.00 H new ATOM 0 HA ARG A 11 2.097 12.294 -19.374 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.326 13.894 -18.750 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.167 14.052 -20.488 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.591 15.635 -19.996 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.528 14.268 -19.726 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.274 15.091 -17.418 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.967 16.179 -17.841 1.00 0.00 H new ATOM 0 HE ARG A 11 0.674 13.739 -17.816 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.837 15.352 -15.512 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.109 14.578 -14.101 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.270 12.738 -15.990 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.345 13.094 -14.372 1.00 0.00 H new ATOM 167 N GLN A 12 2.160 11.655 -21.757 1.00 0.00 N ATOM 168 CA GLN A 12 2.153 11.186 -23.133 1.00 0.00 C ATOM 169 C GLN A 12 0.972 11.794 -23.894 1.00 0.00 C ATOM 170 O GLN A 12 -0.175 11.670 -23.468 1.00 0.00 O ATOM 171 CB GLN A 12 2.115 9.658 -23.192 1.00 0.00 C ATOM 172 CG GLN A 12 2.889 9.137 -24.405 1.00 0.00 C ATOM 173 CD GLN A 12 2.329 7.793 -24.877 1.00 0.00 C ATOM 174 OE1 GLN A 12 1.203 7.424 -24.586 1.00 0.00 O ATOM 175 NE2 GLN A 12 3.176 7.085 -25.618 1.00 0.00 N ATOM 0 H GLN A 12 1.236 11.819 -21.357 1.00 0.00 H new ATOM 0 HA GLN A 12 3.076 11.512 -23.612 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.542 9.244 -22.278 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.081 9.318 -23.243 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.833 9.863 -25.216 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.943 9.026 -24.148 1.00 0.00 H new ATOM 0 HE21 GLN A 12 4.105 7.454 -25.824 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.897 6.173 -25.981 1.00 0.00 H new ATOM 184 N GLY A 13 1.295 12.438 -25.006 1.00 0.00 N ATOM 185 CA GLY A 13 0.275 13.064 -25.830 1.00 0.00 C ATOM 186 C GLY A 13 -0.415 12.034 -26.727 1.00 0.00 C ATOM 187 O GLY A 13 0.215 11.081 -27.183 1.00 0.00 O ATOM 0 H GLY A 13 2.248 12.540 -25.355 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.464 13.550 -25.193 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.727 13.842 -26.445 1.00 0.00 H new ATOM 191 N GLY A 14 -1.701 12.261 -26.953 1.00 0.00 N ATOM 192 CA GLY A 14 -2.484 11.364 -27.786 1.00 0.00 C ATOM 193 C GLY A 14 -2.292 11.687 -29.268 1.00 0.00 C ATOM 194 O GLY A 14 -2.494 12.824 -29.692 1.00 0.00 O ATOM 0 H GLY A 14 -2.220 13.053 -26.574 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.189 10.332 -27.594 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.539 11.448 -27.525 1.00 0.00 H new ATOM 198 N GLU A 15 -1.904 10.665 -30.019 1.00 0.00 N ATOM 199 CA GLU A 15 -1.684 10.826 -31.445 1.00 0.00 C ATOM 200 C GLU A 15 -2.907 10.348 -32.230 1.00 0.00 C ATOM 201 O GLU A 15 -3.565 9.386 -31.834 1.00 0.00 O ATOM 202 CB GLU A 15 -0.422 10.085 -31.893 1.00 0.00 C ATOM 203 CG GLU A 15 0.516 11.015 -32.664 1.00 0.00 C ATOM 204 CD GLU A 15 1.092 10.313 -33.895 1.00 0.00 C ATOM 205 OE1 GLU A 15 0.276 9.885 -34.739 1.00 0.00 O ATOM 206 OE2 GLU A 15 2.338 10.220 -33.964 1.00 0.00 O ATOM 0 H GLU A 15 -1.737 9.723 -29.665 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.536 11.886 -31.651 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.095 9.681 -31.023 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.697 9.238 -32.521 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.025 11.910 -32.971 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.328 11.340 -32.013 1.00 0.00 H new ATOM 213 N ARG A 16 -3.176 11.040 -33.327 1.00 0.00 N ATOM 214 CA ARG A 16 -4.308 10.697 -34.170 1.00 0.00 C ATOM 215 C ARG A 16 -3.836 10.380 -35.590 1.00 0.00 C ATOM 216 O ARG A 16 -2.933 11.033 -36.109 1.00 0.00 O ATOM 217 CB ARG A 16 -5.322 11.841 -34.221 1.00 0.00 C ATOM 218 CG ARG A 16 -4.730 13.068 -34.918 1.00 0.00 C ATOM 219 CD ARG A 16 -5.263 14.362 -34.298 1.00 0.00 C ATOM 220 NE ARG A 16 -4.137 15.224 -33.875 1.00 0.00 N ATOM 221 CZ ARG A 16 -3.477 15.082 -32.718 1.00 0.00 C ATOM 222 NH1 ARG A 16 -3.825 14.112 -31.862 1.00 0.00 N ATOM 223 NH2 ARG A 16 -2.467 15.910 -32.417 1.00 0.00 N ATOM 0 H ARG A 16 -2.629 11.837 -33.652 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.788 9.819 -33.739 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.217 11.515 -34.750 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.628 12.106 -33.209 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.643 13.045 -34.842 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.975 13.041 -35.980 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.885 14.891 -35.020 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.896 14.130 -33.441 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.845 15.973 -34.503 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.593 13.481 -32.091 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.322 14.004 -30.981 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.201 16.648 -33.069 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.964 15.802 -31.536 1.00 0.00 H new ATOM 237 N ARG A 17 -4.469 9.374 -36.178 1.00 0.00 N ATOM 238 CA ARG A 17 -4.124 8.962 -37.528 1.00 0.00 C ATOM 239 C ARG A 17 -5.159 7.968 -38.059 1.00 0.00 C ATOM 240 O ARG A 17 -5.781 7.241 -37.287 1.00 0.00 O ATOM 241 CB ARG A 17 -2.738 8.315 -37.570 1.00 0.00 C ATOM 242 CG ARG A 17 -2.205 8.253 -39.003 1.00 0.00 C ATOM 243 CD ARG A 17 -1.964 9.657 -39.560 1.00 0.00 C ATOM 244 NE ARG A 17 -0.528 9.838 -39.871 1.00 0.00 N ATOM 245 CZ ARG A 17 0.390 10.238 -38.979 1.00 0.00 C ATOM 246 NH1 ARG A 17 0.026 10.502 -37.717 1.00 0.00 N ATOM 247 NH2 ARG A 17 1.670 10.375 -39.350 1.00 0.00 N ATOM 0 H ARG A 17 -5.217 8.833 -35.744 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.115 9.854 -38.155 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.048 8.883 -36.946 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.790 7.309 -37.154 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.275 7.685 -39.025 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.917 7.724 -39.637 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.561 9.808 -40.459 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.285 10.405 -38.835 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.217 9.646 -40.823 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.949 10.399 -37.435 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.724 10.806 -37.038 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.947 10.175 -40.311 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.368 10.679 -38.671 1.00 0.00 H new ATOM 261 N ARG A 18 -5.312 7.968 -39.375 1.00 0.00 N ATOM 262 CA ARG A 18 -6.260 7.075 -40.020 1.00 0.00 C ATOM 263 C ARG A 18 -5.612 6.389 -41.223 1.00 0.00 C ATOM 264 O ARG A 18 -6.183 6.366 -42.312 1.00 0.00 O ATOM 265 CB ARG A 18 -7.505 7.836 -40.484 1.00 0.00 C ATOM 266 CG ARG A 18 -8.324 8.327 -39.289 1.00 0.00 C ATOM 267 CD ARG A 18 -8.568 9.836 -39.375 1.00 0.00 C ATOM 268 NE ARG A 18 -7.761 10.537 -38.352 1.00 0.00 N ATOM 269 CZ ARG A 18 -6.513 10.982 -38.555 1.00 0.00 C ATOM 270 NH1 ARG A 18 -5.921 10.800 -39.744 1.00 0.00 N ATOM 271 NH2 ARG A 18 -5.856 11.608 -37.569 1.00 0.00 N ATOM 0 H ARG A 18 -4.795 8.573 -40.013 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.558 6.324 -39.288 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.208 8.685 -41.100 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.120 7.188 -41.109 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.279 7.802 -39.257 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.800 8.092 -38.363 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.306 10.199 -40.369 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.626 10.051 -39.226 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.180 10.691 -37.435 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.420 10.323 -40.495 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.971 11.139 -39.898 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.306 11.746 -36.664 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.906 11.947 -37.724 1.00 0.00 H new ATOM 285 N SER A 19 -4.427 5.846 -40.986 1.00 0.00 N ATOM 286 CA SER A 19 -3.694 5.160 -42.037 1.00 0.00 C ATOM 287 C SER A 19 -4.613 4.172 -42.756 1.00 0.00 C ATOM 288 O SER A 19 -5.135 3.244 -42.140 1.00 0.00 O ATOM 289 CB SER A 19 -2.471 4.435 -41.473 1.00 0.00 C ATOM 290 OG SER A 19 -1.592 5.323 -40.788 1.00 0.00 O ATOM 0 H SER A 19 -3.956 5.867 -40.082 1.00 0.00 H new ATOM 0 HA SER A 19 -3.343 5.905 -42.751 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.798 3.650 -40.791 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.932 3.947 -42.285 1.00 0.00 H new ATOM 0 HG SER A 19 -0.825 4.821 -40.441 1.00 0.00 H new ATOM 296 N GLN A 20 -4.781 4.403 -44.050 1.00 0.00 N ATOM 297 CA GLN A 20 -5.628 3.544 -44.860 1.00 0.00 C ATOM 298 C GLN A 20 -6.865 3.117 -44.066 1.00 0.00 C ATOM 299 O GLN A 20 -7.221 1.939 -44.051 1.00 0.00 O ATOM 300 CB GLN A 20 -4.852 2.325 -45.363 1.00 0.00 C ATOM 301 CG GLN A 20 -4.120 2.642 -46.667 1.00 0.00 C ATOM 302 CD GLN A 20 -3.688 1.358 -47.380 1.00 0.00 C ATOM 303 OE1 GLN A 20 -2.898 0.575 -46.878 1.00 0.00 O ATOM 304 NE2 GLN A 20 -4.249 1.187 -48.573 1.00 0.00 N ATOM 0 H GLN A 20 -4.345 5.173 -44.557 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.957 4.109 -45.732 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.134 2.009 -44.606 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.538 1.492 -45.520 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.770 3.224 -47.321 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.245 3.257 -46.457 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.903 1.882 -48.934 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.026 0.361 -49.128 1.00 0.00 H new ATOM 313 N LEU A 21 -7.485 4.097 -43.425 1.00 0.00 N ATOM 314 CA LEU A 21 -8.675 3.837 -42.632 1.00 0.00 C ATOM 315 C LEU A 21 -9.903 3.844 -43.543 1.00 0.00 C ATOM 316 O LEU A 21 -10.472 4.900 -43.816 1.00 0.00 O ATOM 317 CB LEU A 21 -8.768 4.825 -41.468 1.00 0.00 C ATOM 318 CG LEU A 21 -9.287 4.257 -40.146 1.00 0.00 C ATOM 319 CD1 LEU A 21 -9.500 5.370 -39.116 1.00 0.00 C ATOM 320 CD2 LEU A 21 -10.554 3.429 -40.364 1.00 0.00 C ATOM 0 H LEU A 21 -7.186 5.072 -43.439 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.621 2.847 -42.178 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.778 5.247 -41.296 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.417 5.648 -41.767 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.529 3.585 -39.743 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.869 4.939 -38.185 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.554 5.879 -38.930 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.228 6.085 -39.498 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.902 3.037 -39.408 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.329 4.058 -40.802 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.336 2.601 -41.038 1.00 0.00 H new ATOM 332 N ASP A 22 -10.276 2.654 -43.990 1.00 0.00 N ATOM 333 CA ASP A 22 -11.426 2.510 -44.866 1.00 0.00 C ATOM 334 C ASP A 22 -12.707 2.746 -44.061 1.00 0.00 C ATOM 335 O ASP A 22 -12.757 2.450 -42.868 1.00 0.00 O ATOM 336 CB ASP A 22 -11.494 1.101 -45.459 1.00 0.00 C ATOM 337 CG ASP A 22 -11.311 1.029 -46.976 1.00 0.00 C ATOM 338 OD1 ASP A 22 -12.232 1.492 -47.682 1.00 0.00 O ATOM 339 OD2 ASP A 22 -10.253 0.512 -47.395 1.00 0.00 O ATOM 0 H ASP A 22 -9.802 1.780 -43.762 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.329 3.237 -45.673 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.728 0.487 -44.986 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.458 0.661 -45.203 1.00 0.00 H new ATOM 344 N ARG A 23 -13.709 3.275 -44.747 1.00 0.00 N ATOM 345 CA ARG A 23 -14.985 3.555 -44.112 1.00 0.00 C ATOM 346 C ARG A 23 -15.656 2.251 -43.674 1.00 0.00 C ATOM 347 O ARG A 23 -16.661 2.273 -42.965 1.00 0.00 O ATOM 348 CB ARG A 23 -15.920 4.308 -45.060 1.00 0.00 C ATOM 349 CG ARG A 23 -15.651 5.813 -45.014 1.00 0.00 C ATOM 350 CD ARG A 23 -15.771 6.348 -43.585 1.00 0.00 C ATOM 351 NE ARG A 23 -16.514 7.627 -43.585 1.00 0.00 N ATOM 352 CZ ARG A 23 -16.510 8.499 -42.567 1.00 0.00 C ATOM 353 NH1 ARG A 23 -15.800 8.233 -41.461 1.00 0.00 N ATOM 354 NH2 ARG A 23 -17.213 9.636 -42.654 1.00 0.00 N ATOM 0 H ARG A 23 -13.663 3.517 -45.737 1.00 0.00 H new ATOM 0 HA ARG A 23 -14.791 4.180 -43.240 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -15.784 3.942 -46.078 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -16.957 4.112 -44.786 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.653 6.020 -45.401 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -16.358 6.332 -45.661 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.284 5.620 -42.957 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -14.779 6.494 -43.158 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.064 7.860 -44.412 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.264 7.368 -41.395 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.796 8.896 -40.686 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -17.752 9.839 -43.496 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -17.209 10.299 -41.879 1.00 0.00 H new ATOM 368 N ASP A 24 -15.074 1.146 -44.116 1.00 0.00 N ATOM 369 CA ASP A 24 -15.603 -0.165 -43.778 1.00 0.00 C ATOM 370 C ASP A 24 -14.481 -1.031 -43.202 1.00 0.00 C ATOM 371 O ASP A 24 -14.503 -2.253 -43.339 1.00 0.00 O ATOM 372 CB ASP A 24 -16.156 -0.872 -45.017 1.00 0.00 C ATOM 373 CG ASP A 24 -17.444 -1.664 -44.790 1.00 0.00 C ATOM 374 OD1 ASP A 24 -17.321 -2.847 -44.403 1.00 0.00 O ATOM 375 OD2 ASP A 24 -18.523 -1.071 -45.007 1.00 0.00 O ATOM 0 H ASP A 24 -14.241 1.131 -44.705 1.00 0.00 H new ATOM 0 HA ASP A 24 -16.405 -0.027 -43.052 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -16.338 -0.126 -45.791 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -15.393 -1.550 -45.400 1.00 0.00 H new ATOM 380 N GLN A 25 -13.528 -0.363 -42.568 1.00 0.00 N ATOM 381 CA GLN A 25 -12.400 -1.055 -41.970 1.00 0.00 C ATOM 382 C GLN A 25 -12.495 -1.007 -40.445 1.00 0.00 C ATOM 383 O GLN A 25 -13.460 -0.479 -39.896 1.00 0.00 O ATOM 384 CB GLN A 25 -11.074 -0.466 -42.457 1.00 0.00 C ATOM 385 CG GLN A 25 -10.284 -1.492 -43.272 1.00 0.00 C ATOM 386 CD GLN A 25 -8.778 -1.302 -43.080 1.00 0.00 C ATOM 387 OE1 GLN A 25 -8.262 -0.309 -43.797 1.00 0.00 O flip ATOM 388 NE2 GLN A 25 -8.128 -2.011 -42.329 1.00 0.00 N flip ATOM 0 H GLN A 25 -13.514 0.651 -42.456 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.432 -2.099 -42.283 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.266 0.417 -43.066 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.481 -0.141 -41.602 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.569 -2.500 -42.969 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.535 -1.394 -44.328 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.588 -2.757 -41.807 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.125 -1.857 -42.223 1.00 0.00 H new ATOM 397 N CYS A 26 -11.480 -1.566 -39.802 1.00 0.00 N ATOM 398 CA CYS A 26 -11.437 -1.593 -38.349 1.00 0.00 C ATOM 399 C CYS A 26 -10.228 -0.777 -37.889 1.00 0.00 C ATOM 400 O CYS A 26 -9.105 -1.026 -38.325 1.00 0.00 O ATOM 401 CB CYS A 26 -11.398 -3.024 -37.812 1.00 0.00 C ATOM 402 SG CYS A 26 -11.289 -3.004 -35.985 1.00 0.00 S ATOM 0 H CYS A 26 -10.681 -2.004 -40.260 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.347 -1.149 -37.947 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.292 -3.563 -38.125 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.543 -3.555 -38.230 1.00 0.00 H new ATOM 407 N ALA A 27 -10.499 0.181 -37.015 1.00 0.00 N ATOM 408 CA ALA A 27 -9.446 1.036 -36.491 1.00 0.00 C ATOM 409 C ALA A 27 -8.922 0.445 -35.181 1.00 0.00 C ATOM 410 O ALA A 27 -8.521 1.181 -34.280 1.00 0.00 O ATOM 411 CB ALA A 27 -9.983 2.457 -36.316 1.00 0.00 C ATOM 0 H ALA A 27 -11.432 0.384 -36.656 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.609 1.087 -37.188 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.194 3.098 -35.923 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.317 2.841 -37.280 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.822 2.446 -35.620 1.00 0.00 H new ATOM 417 N TYR A 28 -8.939 -0.878 -35.117 1.00 0.00 N ATOM 418 CA TYR A 28 -8.468 -1.576 -33.931 1.00 0.00 C ATOM 419 C TYR A 28 -7.474 -2.678 -34.302 1.00 0.00 C ATOM 420 O TYR A 28 -6.307 -2.621 -33.919 1.00 0.00 O ATOM 421 CB TYR A 28 -9.708 -2.214 -33.299 1.00 0.00 C ATOM 422 CG TYR A 28 -9.551 -2.534 -31.811 1.00 0.00 C ATOM 423 CD1 TYR A 28 -9.638 -1.524 -30.875 1.00 0.00 C ATOM 424 CD2 TYR A 28 -9.325 -3.833 -31.405 1.00 0.00 C ATOM 425 CE1 TYR A 28 -9.491 -1.825 -29.475 1.00 0.00 C ATOM 426 CE2 TYR A 28 -9.178 -4.134 -30.004 1.00 0.00 C ATOM 427 CZ TYR A 28 -9.269 -3.116 -29.109 1.00 0.00 C ATOM 428 OH TYR A 28 -9.130 -3.400 -27.786 1.00 0.00 O ATOM 0 H TYR A 28 -9.271 -1.485 -35.866 1.00 0.00 H new ATOM 0 HA TYR A 28 -7.961 -0.887 -33.255 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -10.556 -1.542 -33.428 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -9.945 -3.133 -33.835 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -9.816 -0.507 -31.193 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.258 -4.624 -32.137 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.556 -1.044 -28.732 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.999 -5.146 -29.673 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.977 -4.361 -27.672 1.00 0.00 H new ATOM 438 N CYS A 29 -7.973 -3.655 -35.045 1.00 0.00 N ATOM 439 CA CYS A 29 -7.144 -4.769 -35.471 1.00 0.00 C ATOM 440 C CYS A 29 -6.666 -4.493 -36.898 1.00 0.00 C ATOM 441 O CYS A 29 -5.787 -5.186 -37.407 1.00 0.00 O ATOM 442 CB CYS A 29 -7.887 -6.102 -35.366 1.00 0.00 C ATOM 443 SG CYS A 29 -9.333 -6.102 -36.488 1.00 0.00 S ATOM 0 H CYS A 29 -8.941 -3.698 -35.363 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.282 -4.857 -34.810 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -7.217 -6.923 -35.623 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -8.213 -6.266 -34.339 1.00 0.00 H new ATOM 448 N LYS A 30 -7.266 -3.478 -37.503 1.00 0.00 N ATOM 449 CA LYS A 30 -6.913 -3.102 -38.862 1.00 0.00 C ATOM 450 C LYS A 30 -7.579 -4.068 -39.843 1.00 0.00 C ATOM 451 O LYS A 30 -7.135 -4.207 -40.982 1.00 0.00 O ATOM 452 CB LYS A 30 -5.393 -3.019 -39.017 1.00 0.00 C ATOM 453 CG LYS A 30 -4.953 -1.590 -39.343 1.00 0.00 C ATOM 454 CD LYS A 30 -4.389 -0.894 -38.103 1.00 0.00 C ATOM 455 CE LYS A 30 -5.339 0.200 -37.609 1.00 0.00 C ATOM 456 NZ LYS A 30 -4.632 1.127 -36.698 1.00 0.00 N ATOM 0 H LYS A 30 -7.994 -2.904 -37.077 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.289 -2.105 -39.091 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.911 -3.351 -38.097 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.067 -3.693 -39.809 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.198 -1.608 -40.129 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.801 -1.024 -39.728 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.229 -1.626 -37.312 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.417 -0.459 -38.336 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.741 0.752 -38.459 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.186 -0.252 -37.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.098 2.057 -36.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.657 0.748 -35.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.643 1.229 -37.005 1.00 0.00 H new ATOM 470 N GLU A 31 -8.635 -4.712 -39.366 1.00 0.00 N ATOM 471 CA GLU A 31 -9.367 -5.661 -40.187 1.00 0.00 C ATOM 472 C GLU A 31 -10.327 -4.923 -41.123 1.00 0.00 C ATOM 473 O GLU A 31 -10.714 -3.788 -40.851 1.00 0.00 O ATOM 474 CB GLU A 31 -10.116 -6.674 -39.320 1.00 0.00 C ATOM 475 CG GLU A 31 -10.960 -7.615 -40.181 1.00 0.00 C ATOM 476 CD GLU A 31 -10.076 -8.437 -41.121 1.00 0.00 C ATOM 477 OE1 GLU A 31 -9.092 -9.017 -40.614 1.00 0.00 O ATOM 478 OE2 GLU A 31 -10.403 -8.465 -42.328 1.00 0.00 O ATOM 0 H GLU A 31 -9.001 -4.595 -38.421 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.651 -6.214 -40.795 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.403 -7.253 -38.733 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.758 -6.149 -38.613 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.535 -8.283 -39.540 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.677 -7.036 -40.763 1.00 0.00 H new ATOM 485 N LYS A 32 -10.684 -5.598 -42.206 1.00 0.00 N ATOM 486 CA LYS A 32 -11.592 -5.021 -43.182 1.00 0.00 C ATOM 487 C LYS A 32 -12.876 -5.851 -43.231 1.00 0.00 C ATOM 488 O LYS A 32 -12.838 -7.045 -43.526 1.00 0.00 O ATOM 489 CB LYS A 32 -10.899 -4.880 -44.539 1.00 0.00 C ATOM 490 CG LYS A 32 -11.821 -4.207 -45.558 1.00 0.00 C ATOM 491 CD LYS A 32 -12.738 -5.231 -46.229 1.00 0.00 C ATOM 492 CE LYS A 32 -12.465 -5.312 -47.731 1.00 0.00 C ATOM 493 NZ LYS A 32 -12.651 -6.697 -48.219 1.00 0.00 N ATOM 0 H LYS A 32 -10.361 -6.539 -42.429 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.876 -4.011 -42.888 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.987 -4.294 -44.426 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.603 -5.863 -44.904 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.422 -3.445 -45.062 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.223 -3.698 -46.314 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.588 -6.211 -45.775 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.779 -4.958 -46.060 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.136 -4.639 -48.265 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.448 -4.980 -47.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.461 -6.733 -49.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.994 -7.331 -47.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.629 -7.001 -48.037 1.00 0.00 H new ATOM 507 N GLY A 33 -13.985 -5.186 -42.938 1.00 0.00 N ATOM 508 CA GLY A 33 -15.278 -5.847 -42.944 1.00 0.00 C ATOM 509 C GLY A 33 -16.117 -5.422 -41.738 1.00 0.00 C ATOM 510 O GLY A 33 -17.314 -5.170 -41.866 1.00 0.00 O ATOM 0 H GLY A 33 -14.014 -4.196 -42.695 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.810 -5.605 -43.864 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.138 -6.928 -42.931 1.00 0.00 H new ATOM 514 N HIS A 34 -15.455 -5.356 -40.591 1.00 0.00 N ATOM 515 CA HIS A 34 -16.125 -4.966 -39.362 1.00 0.00 C ATOM 516 C HIS A 34 -15.545 -3.643 -38.859 1.00 0.00 C ATOM 517 O HIS A 34 -14.480 -3.218 -39.304 1.00 0.00 O ATOM 518 CB HIS A 34 -16.044 -6.084 -38.320 1.00 0.00 C ATOM 519 CG HIS A 34 -14.666 -6.276 -37.735 1.00 0.00 C ATOM 520 ND1 HIS A 34 -13.801 -7.270 -38.163 1.00 0.00 N ATOM 521 CD2 HIS A 34 -14.011 -5.595 -36.751 1.00 0.00 C ATOM 522 CE1 HIS A 34 -12.681 -7.179 -37.461 1.00 0.00 C ATOM 523 NE2 HIS A 34 -12.813 -6.142 -36.587 1.00 0.00 N ATOM 0 H HIS A 34 -14.462 -5.566 -40.488 1.00 0.00 H new ATOM 0 HA HIS A 34 -17.186 -4.807 -39.557 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -16.744 -5.866 -37.513 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -16.367 -7.019 -38.778 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -13.994 -7.955 -38.894 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -14.401 -4.753 -36.199 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.815 -7.816 -37.564 1.00 0.00 H new ATOM 531 N TRP A 35 -16.272 -3.027 -37.938 1.00 0.00 N ATOM 532 CA TRP A 35 -15.843 -1.761 -37.369 1.00 0.00 C ATOM 533 C TRP A 35 -15.189 -2.048 -36.016 1.00 0.00 C ATOM 534 O TRP A 35 -15.448 -3.083 -35.404 1.00 0.00 O ATOM 535 CB TRP A 35 -17.012 -0.778 -37.273 1.00 0.00 C ATOM 536 CG TRP A 35 -17.156 0.139 -38.488 1.00 0.00 C ATOM 537 CD1 TRP A 35 -17.240 -0.209 -39.780 1.00 0.00 C ATOM 538 CD2 TRP A 35 -17.231 1.580 -38.474 1.00 0.00 C ATOM 539 NE1 TRP A 35 -17.362 0.897 -40.595 1.00 0.00 N ATOM 540 CE2 TRP A 35 -17.357 2.020 -39.776 1.00 0.00 C ATOM 541 CE3 TRP A 35 -17.193 2.482 -37.396 1.00 0.00 C ATOM 542 CZ2 TRP A 35 -17.455 3.373 -40.121 1.00 0.00 C ATOM 543 CZ3 TRP A 35 -17.293 3.830 -37.758 1.00 0.00 C ATOM 544 CH2 TRP A 35 -17.420 4.290 -39.065 1.00 0.00 C ATOM 0 H TRP A 35 -17.156 -3.381 -37.572 1.00 0.00 H new ATOM 0 HA TRP A 35 -15.109 -1.277 -38.014 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -17.937 -1.341 -37.144 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -16.885 -0.165 -36.381 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -17.215 -1.228 -40.138 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -17.441 0.892 -41.612 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -17.094 2.160 -36.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -17.552 3.692 -41.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -17.270 4.565 -36.967 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -17.491 5.349 -39.263 1.00 0.00 H new ATOM 555 N ALA A 36 -14.355 -1.112 -35.587 1.00 0.00 N ATOM 556 CA ALA A 36 -13.663 -1.251 -34.317 1.00 0.00 C ATOM 557 C ALA A 36 -14.691 -1.390 -33.194 1.00 0.00 C ATOM 558 O ALA A 36 -14.475 -2.134 -32.238 1.00 0.00 O ATOM 559 CB ALA A 36 -12.732 -0.055 -34.110 1.00 0.00 C ATOM 0 H ALA A 36 -14.143 -0.254 -36.097 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.046 -2.150 -34.312 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.213 -0.159 -33.157 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -12.002 -0.018 -34.919 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -13.317 0.865 -34.106 1.00 0.00 H new ATOM 565 N LYS A 37 -15.788 -0.663 -33.345 1.00 0.00 N ATOM 566 CA LYS A 37 -16.850 -0.696 -32.354 1.00 0.00 C ATOM 567 C LYS A 37 -17.454 -2.101 -32.307 1.00 0.00 C ATOM 568 O LYS A 37 -18.213 -2.425 -31.394 1.00 0.00 O ATOM 569 CB LYS A 37 -17.877 0.404 -32.632 1.00 0.00 C ATOM 570 CG LYS A 37 -17.199 1.772 -32.742 1.00 0.00 C ATOM 571 CD LYS A 37 -16.969 2.382 -31.358 1.00 0.00 C ATOM 572 CE LYS A 37 -16.304 3.756 -31.468 1.00 0.00 C ATOM 573 NZ LYS A 37 -15.566 4.076 -30.224 1.00 0.00 N ATOM 0 H LYS A 37 -15.964 -0.047 -34.139 1.00 0.00 H new ATOM 0 HA LYS A 37 -16.451 -0.485 -31.362 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.411 0.183 -33.556 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.618 0.425 -31.833 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -16.246 1.669 -33.261 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -17.817 2.441 -33.340 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -17.921 2.475 -30.835 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.342 1.717 -30.763 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.620 3.769 -32.317 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.060 4.518 -31.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.726 4.644 -30.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.183 4.615 -29.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.270 3.194 -29.759 1.00 0.00 H new ATOM 587 N ASP A 38 -17.094 -2.899 -33.301 1.00 0.00 N ATOM 588 CA ASP A 38 -17.591 -4.262 -33.384 1.00 0.00 C ATOM 589 C ASP A 38 -16.421 -5.210 -33.659 1.00 0.00 C ATOM 590 O ASP A 38 -16.591 -6.237 -34.313 1.00 0.00 O ATOM 591 CB ASP A 38 -18.599 -4.413 -34.525 1.00 0.00 C ATOM 592 CG ASP A 38 -19.865 -5.194 -34.170 1.00 0.00 C ATOM 593 OD1 ASP A 38 -19.711 -6.297 -33.602 1.00 0.00 O ATOM 594 OD2 ASP A 38 -20.959 -4.670 -34.474 1.00 0.00 O ATOM 0 H ASP A 38 -16.464 -2.628 -34.056 1.00 0.00 H new ATOM 0 HA ASP A 38 -18.078 -4.501 -32.439 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -18.887 -3.420 -34.869 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -18.107 -4.909 -35.361 1.00 0.00 H new ATOM 599 N CYS A 39 -15.260 -4.831 -33.144 1.00 0.00 N ATOM 600 CA CYS A 39 -14.063 -5.635 -33.325 1.00 0.00 C ATOM 601 C CYS A 39 -14.217 -6.917 -32.504 1.00 0.00 C ATOM 602 O CYS A 39 -14.592 -6.868 -31.334 1.00 0.00 O ATOM 603 CB CYS A 39 -12.800 -4.861 -32.945 1.00 0.00 C ATOM 604 SG CYS A 39 -11.314 -5.839 -33.374 1.00 0.00 S ATOM 0 H CYS A 39 -15.123 -3.978 -32.602 1.00 0.00 H new ATOM 0 HA CYS A 39 -13.949 -5.892 -34.378 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.779 -3.904 -33.467 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -12.805 -4.642 -31.877 1.00 0.00 H new ATOM 609 N PRO A 40 -13.911 -8.064 -33.168 1.00 0.00 N ATOM 610 CA PRO A 40 -14.011 -9.357 -32.513 1.00 0.00 C ATOM 611 C PRO A 40 -12.850 -9.569 -31.539 1.00 0.00 C ATOM 612 O PRO A 40 -12.748 -10.620 -30.908 1.00 0.00 O ATOM 613 CB PRO A 40 -14.030 -10.371 -33.644 1.00 0.00 C ATOM 614 CG PRO A 40 -13.475 -9.649 -34.861 1.00 0.00 C ATOM 615 CD PRO A 40 -13.464 -8.161 -34.554 1.00 0.00 C ATOM 0 HA PRO A 40 -14.907 -9.449 -31.899 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -13.424 -11.243 -33.397 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -15.042 -10.729 -33.830 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -12.468 -10.000 -35.087 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -14.088 -9.853 -35.739 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -12.467 -7.739 -34.679 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -14.128 -7.614 -35.223 1.00 0.00 H new ATOM 623 N LYS A 41 -12.003 -8.555 -31.448 1.00 0.00 N ATOM 624 CA LYS A 41 -10.853 -8.617 -30.562 1.00 0.00 C ATOM 625 C LYS A 41 -11.094 -7.708 -29.354 1.00 0.00 C ATOM 626 O LYS A 41 -10.407 -7.820 -28.340 1.00 0.00 O ATOM 627 CB LYS A 41 -9.568 -8.294 -31.327 1.00 0.00 C ATOM 628 CG LYS A 41 -8.407 -8.037 -30.365 1.00 0.00 C ATOM 629 CD LYS A 41 -7.072 -8.007 -31.113 1.00 0.00 C ATOM 630 CE LYS A 41 -5.900 -8.220 -30.152 1.00 0.00 C ATOM 631 NZ LYS A 41 -5.067 -9.359 -30.598 1.00 0.00 N ATOM 0 H LYS A 41 -12.090 -7.685 -31.973 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.723 -9.629 -30.179 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.318 -9.121 -31.991 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.725 -7.417 -31.955 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.560 -7.089 -29.849 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.383 -8.815 -29.602 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.063 -8.781 -31.880 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.959 -7.051 -31.624 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.294 -7.316 -30.102 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.276 -8.408 -29.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.276 -9.491 -29.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.645 -10.223 -30.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.694 -9.165 -31.549 1.00 0.00 H new ATOM 645 N LYS A 42 -12.073 -6.827 -29.503 1.00 0.00 N ATOM 646 CA LYS A 42 -12.414 -5.900 -28.438 1.00 0.00 C ATOM 647 C LYS A 42 -13.700 -6.366 -27.754 1.00 0.00 C ATOM 648 O LYS A 42 -14.564 -6.967 -28.391 1.00 0.00 O ATOM 649 CB LYS A 42 -12.488 -4.469 -28.977 1.00 0.00 C ATOM 650 CG LYS A 42 -13.863 -4.182 -29.584 1.00 0.00 C ATOM 651 CD LYS A 42 -14.763 -3.456 -28.583 1.00 0.00 C ATOM 652 CE LYS A 42 -15.045 -2.023 -29.038 1.00 0.00 C ATOM 653 NZ LYS A 42 -14.837 -1.074 -27.922 1.00 0.00 N ATOM 0 H LYS A 42 -12.641 -6.736 -30.346 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.634 -5.890 -27.677 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.287 -3.762 -28.172 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.715 -4.320 -29.731 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.749 -3.575 -30.482 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -14.332 -5.117 -29.889 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.702 -3.998 -28.473 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.286 -3.443 -27.603 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.390 -1.764 -29.870 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.069 -1.946 -29.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.746 -0.641 -27.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.447 -1.582 -27.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.172 -0.331 -28.218 1.00 0.00 H new ATOM 667 N PRO A 43 -13.790 -6.062 -26.431 1.00 0.00 N ATOM 668 CA PRO A 43 -14.956 -6.445 -25.654 1.00 0.00 C ATOM 669 C PRO A 43 -16.150 -5.542 -25.976 1.00 0.00 C ATOM 670 O PRO A 43 -16.186 -4.384 -25.564 1.00 0.00 O ATOM 671 CB PRO A 43 -14.512 -6.345 -24.203 1.00 0.00 C ATOM 672 CG PRO A 43 -13.269 -5.470 -24.207 1.00 0.00 C ATOM 673 CD PRO A 43 -12.787 -5.352 -25.644 1.00 0.00 C ATOM 0 HA PRO A 43 -15.301 -7.453 -25.883 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -15.295 -5.908 -23.584 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -14.294 -7.331 -23.792 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.494 -4.485 -23.798 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.493 -5.907 -23.579 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.708 -4.309 -25.951 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.799 -5.796 -25.768 1.00 0.00 H new ATOM 681 N ARG A 44 -17.097 -6.107 -26.710 1.00 0.00 N ATOM 682 CA ARG A 44 -18.288 -5.369 -27.092 1.00 0.00 C ATOM 683 C ARG A 44 -18.917 -4.705 -25.866 1.00 0.00 C ATOM 684 O ARG A 44 -19.737 -5.311 -25.179 1.00 0.00 O ATOM 685 CB ARG A 44 -19.318 -6.289 -27.751 1.00 0.00 C ATOM 686 CG ARG A 44 -20.062 -5.563 -28.874 1.00 0.00 C ATOM 687 CD ARG A 44 -21.304 -6.348 -29.305 1.00 0.00 C ATOM 688 NE ARG A 44 -21.338 -6.470 -30.780 1.00 0.00 N ATOM 689 CZ ARG A 44 -22.453 -6.697 -31.489 1.00 0.00 C ATOM 690 NH1 ARG A 44 -23.630 -6.827 -30.863 1.00 0.00 N ATOM 691 NH2 ARG A 44 -22.389 -6.793 -32.824 1.00 0.00 N ATOM 0 H ARG A 44 -17.063 -7.068 -27.050 1.00 0.00 H new ATOM 0 HA ARG A 44 -17.989 -4.605 -27.809 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -18.819 -7.172 -28.152 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -20.031 -6.637 -27.004 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -20.354 -4.568 -28.538 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -19.398 -5.428 -29.728 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -21.295 -7.338 -28.850 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -22.204 -5.844 -28.953 1.00 0.00 H new ATOM 0 HE ARG A 44 -20.459 -6.376 -31.288 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -23.678 -6.753 -29.847 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -24.478 -7.000 -31.403 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -21.492 -6.693 -33.300 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -23.237 -6.966 -33.364 1.00 0.00 H new ATOM 705 N GLY A 45 -18.510 -3.466 -25.630 1.00 0.00 N ATOM 706 CA GLY A 45 -19.023 -2.713 -24.498 1.00 0.00 C ATOM 707 C GLY A 45 -18.503 -1.274 -24.516 1.00 0.00 C ATOM 708 O GLY A 45 -17.776 -0.885 -25.429 1.00 0.00 O ATOM 0 H GLY A 45 -17.831 -2.965 -26.203 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -20.113 -2.710 -24.522 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -18.726 -3.199 -23.569 1.00 0.00 H new ATOM 712 N PRO A 46 -18.906 -0.504 -23.470 1.00 0.00 N ATOM 713 CA PRO A 46 -19.767 -1.044 -22.432 1.00 0.00 C ATOM 714 C PRO A 46 -21.207 -1.182 -22.930 1.00 0.00 C ATOM 715 O PRO A 46 -21.715 -2.292 -23.075 1.00 0.00 O ATOM 716 CB PRO A 46 -19.632 -0.078 -21.267 1.00 0.00 C ATOM 717 CG PRO A 46 -19.069 1.206 -21.853 1.00 0.00 C ATOM 718 CD PRO A 46 -18.553 0.894 -23.248 1.00 0.00 C ATOM 0 HA PRO A 46 -19.482 -2.052 -22.132 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -20.597 0.099 -20.793 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -18.970 -0.481 -20.501 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -19.839 1.977 -21.894 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -18.265 1.592 -21.226 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -19.013 1.542 -23.994 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -17.476 1.046 -23.315 1.00 0.00 H new ATOM 726 N ARG A 47 -21.825 -0.035 -23.180 1.00 0.00 N ATOM 727 CA ARG A 47 -23.196 -0.014 -23.659 1.00 0.00 C ATOM 728 C ARG A 47 -23.679 1.429 -23.821 1.00 0.00 C ATOM 729 O ARG A 47 -24.193 2.025 -22.876 1.00 0.00 O ATOM 730 CB ARG A 47 -24.129 -0.751 -22.696 1.00 0.00 C ATOM 731 CG ARG A 47 -25.061 -1.699 -23.452 1.00 0.00 C ATOM 732 CD ARG A 47 -25.558 -2.823 -22.541 1.00 0.00 C ATOM 733 NE ARG A 47 -24.633 -3.976 -22.610 1.00 0.00 N ATOM 734 CZ ARG A 47 -24.969 -5.229 -22.270 1.00 0.00 C ATOM 735 NH1 ARG A 47 -26.209 -5.496 -21.838 1.00 0.00 N ATOM 736 NH2 ARG A 47 -24.066 -6.213 -22.365 1.00 0.00 N ATOM 0 H ARG A 47 -21.401 0.885 -23.060 1.00 0.00 H new ATOM 0 HA ARG A 47 -23.217 -0.520 -24.624 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -23.539 -1.315 -21.973 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -24.719 -0.029 -22.132 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -25.911 -1.142 -23.845 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -24.536 -2.125 -24.307 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -25.630 -2.465 -21.514 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -26.559 -3.131 -22.842 1.00 0.00 H new ATOM 0 HE ARG A 47 -23.681 -3.807 -22.936 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -26.897 -4.746 -21.768 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -26.465 -6.449 -21.579 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -23.123 -6.009 -22.696 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -24.321 -7.166 -22.106 1.00 0.00 H new ATOM 750 N GLY A 48 -23.497 1.949 -25.026 1.00 0.00 N ATOM 751 CA GLY A 48 -23.907 3.310 -25.324 1.00 0.00 C ATOM 752 C GLY A 48 -22.692 4.213 -25.547 1.00 0.00 C ATOM 753 O GLY A 48 -21.553 3.758 -25.461 1.00 0.00 O ATOM 0 H GLY A 48 -23.071 1.451 -25.808 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -24.538 3.317 -26.213 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -24.509 3.700 -24.503 1.00 0.00 H new ATOM 757 N PRO A 49 -22.985 5.509 -25.836 1.00 0.00 N ATOM 758 CA PRO A 49 -21.930 6.480 -26.072 1.00 0.00 C ATOM 759 C PRO A 49 -21.257 6.888 -24.760 1.00 0.00 C ATOM 760 O PRO A 49 -21.663 6.446 -23.686 1.00 0.00 O ATOM 761 CB PRO A 49 -22.614 7.640 -26.775 1.00 0.00 C ATOM 762 CG PRO A 49 -24.098 7.483 -26.493 1.00 0.00 C ATOM 763 CD PRO A 49 -24.323 6.083 -25.946 1.00 0.00 C ATOM 0 HA PRO A 49 -21.121 6.082 -26.684 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -22.245 8.595 -26.402 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -22.416 7.619 -27.847 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -24.431 8.232 -25.774 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -24.678 7.635 -27.403 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -24.822 6.112 -24.978 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -24.953 5.494 -26.612 1.00 0.00 H new ATOM 771 N ARG A 50 -20.241 7.728 -24.890 1.00 0.00 N ATOM 772 CA ARG A 50 -19.508 8.201 -23.728 1.00 0.00 C ATOM 773 C ARG A 50 -20.323 9.257 -22.979 1.00 0.00 C ATOM 774 O ARG A 50 -21.090 10.001 -23.589 1.00 0.00 O ATOM 775 CB ARG A 50 -18.160 8.800 -24.132 1.00 0.00 C ATOM 776 CG ARG A 50 -17.022 7.808 -23.882 1.00 0.00 C ATOM 777 CD ARG A 50 -15.670 8.524 -23.840 1.00 0.00 C ATOM 778 NE ARG A 50 -14.769 7.965 -24.872 1.00 0.00 N ATOM 779 CZ ARG A 50 -13.442 8.159 -24.896 1.00 0.00 C ATOM 780 NH1 ARG A 50 -12.856 8.900 -23.947 1.00 0.00 N ATOM 781 NH2 ARG A 50 -12.703 7.613 -25.872 1.00 0.00 N ATOM 0 H ARG A 50 -19.908 8.093 -25.782 1.00 0.00 H new ATOM 0 HA ARG A 50 -19.332 7.344 -23.078 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -18.182 9.076 -25.186 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -17.981 9.715 -23.567 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -17.190 7.286 -22.940 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -17.014 7.053 -24.668 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -15.809 9.592 -24.007 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.220 8.412 -22.853 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.183 7.397 -25.611 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.419 9.317 -23.206 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.847 9.047 -23.966 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.150 7.050 -26.596 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.694 7.760 -25.891 1.00 0.00 H new ATOM 795 N PRO A 51 -20.126 9.291 -21.634 1.00 0.00 N ATOM 796 CA PRO A 51 -20.834 10.243 -20.797 1.00 0.00 C ATOM 797 C PRO A 51 -20.251 11.650 -20.952 1.00 0.00 C ATOM 798 O PRO A 51 -20.972 12.593 -21.271 1.00 0.00 O ATOM 799 CB PRO A 51 -20.703 9.698 -19.384 1.00 0.00 C ATOM 800 CG PRO A 51 -19.541 8.720 -19.420 1.00 0.00 C ATOM 801 CD PRO A 51 -19.226 8.425 -20.878 1.00 0.00 C ATOM 0 HA PRO A 51 -21.883 10.348 -21.074 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -20.515 10.501 -18.672 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -21.621 9.202 -19.070 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -18.670 9.143 -18.919 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -19.798 7.802 -18.891 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -18.183 8.640 -21.109 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -19.395 7.375 -21.115 1.00 0.00 H new ATOM 809 N GLN A 52 -18.950 11.745 -20.719 1.00 0.00 N ATOM 810 CA GLN A 52 -18.262 13.020 -20.829 1.00 0.00 C ATOM 811 C GLN A 52 -16.847 12.813 -21.372 1.00 0.00 C ATOM 812 O GLN A 52 -16.201 11.810 -21.069 1.00 0.00 O ATOM 813 CB GLN A 52 -18.232 13.744 -19.483 1.00 0.00 C ATOM 814 CG GLN A 52 -18.798 15.160 -19.609 1.00 0.00 C ATOM 815 CD GLN A 52 -18.333 16.043 -18.448 1.00 0.00 C ATOM 816 OE1 GLN A 52 -17.552 16.966 -18.611 1.00 0.00 O ATOM 817 NE2 GLN A 52 -18.855 15.709 -17.272 1.00 0.00 N ATOM 0 H GLN A 52 -18.355 10.960 -20.455 1.00 0.00 H new ATOM 0 HA GLN A 52 -18.811 13.649 -21.530 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -18.810 13.181 -18.750 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -17.208 13.790 -19.113 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.480 15.599 -20.555 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -19.887 15.120 -19.626 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -19.503 14.924 -17.206 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -18.607 16.237 -16.435 1.00 0.00 H new ATOM 826 N THR A 53 -16.404 13.779 -22.165 1.00 0.00 N ATOM 827 CA THR A 53 -15.077 13.716 -22.753 1.00 0.00 C ATOM 828 C THR A 53 -14.007 13.910 -21.677 1.00 0.00 C ATOM 829 O THR A 53 -13.802 15.022 -21.193 1.00 0.00 O ATOM 830 CB THR A 53 -15.006 14.755 -23.874 1.00 0.00 C ATOM 831 OG1 THR A 53 -15.729 14.157 -24.947 1.00 0.00 O ATOM 832 CG2 THR A 53 -13.590 14.924 -24.427 1.00 0.00 C ATOM 0 H THR A 53 -16.941 14.610 -22.414 1.00 0.00 H new ATOM 0 HA THR A 53 -14.883 12.735 -23.187 1.00 0.00 H new ATOM 0 HB THR A 53 -15.367 15.714 -23.503 1.00 0.00 H new ATOM 0 HG1 THR A 53 -15.735 14.764 -25.716 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.596 15.672 -25.219 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.923 15.247 -23.628 1.00 0.00 H new ATOM 0 HG23 THR A 53 -13.240 13.973 -24.829 1.00 0.00 H new ATOM 840 N SER A 54 -13.353 12.809 -21.333 1.00 0.00 N ATOM 841 CA SER A 54 -12.309 12.845 -20.323 1.00 0.00 C ATOM 842 C SER A 54 -11.005 12.290 -20.899 1.00 0.00 C ATOM 843 O SER A 54 -10.991 11.212 -21.491 1.00 0.00 O ATOM 844 CB SER A 54 -12.719 12.052 -19.080 1.00 0.00 C ATOM 845 OG SER A 54 -11.892 12.352 -17.959 1.00 0.00 O ATOM 0 H SER A 54 -13.526 11.888 -21.736 1.00 0.00 H new ATOM 0 HA SER A 54 -12.156 13.882 -20.026 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.757 12.274 -18.834 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.664 10.985 -19.296 1.00 0.00 H new ATOM 0 HG SER A 54 -12.187 11.827 -17.185 1.00 0.00 H new ATOM 851 N LEU A 55 -9.938 13.054 -20.707 1.00 0.00 N ATOM 852 CA LEU A 55 -8.632 12.652 -21.200 1.00 0.00 C ATOM 853 C LEU A 55 -7.735 12.286 -20.016 1.00 0.00 C ATOM 854 O LEU A 55 -6.785 13.002 -19.707 1.00 0.00 O ATOM 855 CB LEU A 55 -8.044 13.739 -22.103 1.00 0.00 C ATOM 856 CG LEU A 55 -7.354 13.249 -23.378 1.00 0.00 C ATOM 857 CD1 LEU A 55 -7.275 14.366 -24.421 1.00 0.00 C ATOM 858 CD2 LEU A 55 -5.977 12.659 -23.064 1.00 0.00 C ATOM 0 H LEU A 55 -9.952 13.948 -20.217 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.717 11.762 -21.823 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.845 14.421 -22.386 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.324 14.316 -21.523 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.957 12.449 -23.808 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.780 13.992 -25.318 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.281 14.699 -24.674 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.707 15.203 -24.015 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.508 12.318 -23.987 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.352 13.421 -22.599 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.089 11.816 -22.382 1.00 0.00 H new ATOM 870 N LEU A 56 -8.069 11.168 -19.386 1.00 0.00 N ATOM 871 CA LEU A 56 -7.306 10.698 -18.243 1.00 0.00 C ATOM 872 C LEU A 56 -6.939 11.887 -17.354 1.00 0.00 C ATOM 873 O LEU A 56 -7.805 12.674 -16.975 1.00 0.00 O ATOM 874 CB LEU A 56 -6.099 9.879 -18.705 1.00 0.00 C ATOM 875 CG LEU A 56 -5.566 8.848 -17.708 1.00 0.00 C ATOM 876 CD1 LEU A 56 -5.214 7.536 -18.412 1.00 0.00 C ATOM 877 CD2 LEU A 56 -4.383 9.410 -16.917 1.00 0.00 C ATOM 0 H LEU A 56 -8.857 10.575 -19.646 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.908 10.022 -17.636 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.368 9.360 -19.625 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.291 10.568 -18.952 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.356 8.626 -16.990 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.838 6.820 -17.681 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.105 7.130 -18.892 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.449 7.721 -19.166 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.024 8.657 -16.216 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.581 9.678 -17.604 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.701 10.296 -16.367 1.00 0.00 H new TER 889 LEU A 56 ATOM 890 P U B 304 4.623 0.536 -33.717 1.00 0.00 P ATOM 891 OP1 U B 304 4.006 -0.698 -33.183 1.00 0.00 O ATOM 892 OP2 U B 304 4.931 0.576 -35.164 1.00 0.00 O ATOM 893 O5' U B 304 3.646 1.759 -33.387 1.00 0.00 O ATOM 894 C5' U B 304 2.347 1.510 -32.852 1.00 0.00 C ATOM 895 C4' U B 304 2.213 2.154 -31.491 1.00 0.00 C ATOM 896 O4' U B 304 3.164 3.236 -31.434 1.00 0.00 O ATOM 897 C3' U B 304 0.904 2.909 -31.277 1.00 0.00 C ATOM 898 O3' U B 304 0.572 2.900 -29.890 1.00 0.00 O ATOM 899 C2' U B 304 1.165 4.305 -31.773 1.00 0.00 C ATOM 900 O2' U B 304 0.178 5.060 -31.108 1.00 0.00 O ATOM 901 C1' U B 304 2.595 4.518 -31.283 1.00 0.00 C ATOM 902 N1 U B 304 3.340 5.528 -32.062 1.00 0.00 N ATOM 903 C2 U B 304 3.431 6.769 -31.510 1.00 0.00 C ATOM 904 O2 U B 304 2.937 7.069 -30.435 1.00 0.00 O ATOM 905 N3 U B 304 4.125 7.712 -32.234 1.00 0.00 N ATOM 906 C4 U B 304 4.710 7.457 -33.449 1.00 0.00 C ATOM 907 O4 U B 304 5.306 8.377 -34.007 1.00 0.00 O ATOM 908 C5 U B 304 4.586 6.146 -33.979 1.00 0.00 C ATOM 909 C6 U B 304 3.908 5.247 -33.261 1.00 0.00 C ATOM 0 H5' U B 304 2.178 0.436 -32.773 1.00 0.00 H new ATOM 0 H5'' U B 304 1.586 1.904 -33.526 1.00 0.00 H new ATOM 0 H4' U B 304 2.322 1.340 -30.775 1.00 0.00 H new ATOM 0 H3' U B 304 0.064 2.460 -31.806 1.00 0.00 H new ATOM 0 H2' U B 304 1.105 4.544 -32.835 1.00 0.00 H new ATOM 0 HO2' U B 304 0.129 4.780 -30.170 1.00 0.00 H new ATOM 0 H1' U B 304 2.626 4.906 -30.265 1.00 0.00 H new ATOM 0 H3 U B 304 4.209 8.652 -31.846 1.00 0.00 H new ATOM 0 H5 U B 304 5.025 5.885 -34.930 1.00 0.00 H new ATOM 0 H6 U B 304 3.807 4.246 -33.655 1.00 0.00 H new ATOM 920 P A B 305 -0.879 2.420 -29.417 1.00 0.00 P ATOM 921 OP1 A B 305 -0.911 0.944 -29.327 1.00 0.00 O ATOM 922 OP2 A B 305 -1.915 3.077 -30.246 1.00 0.00 O ATOM 923 O5' A B 305 -0.987 3.009 -27.934 1.00 0.00 O ATOM 924 C5' A B 305 0.180 3.104 -27.117 1.00 0.00 C ATOM 925 C4' A B 305 0.224 1.951 -26.140 1.00 0.00 C ATOM 926 O4' A B 305 1.070 2.315 -25.010 1.00 0.00 O ATOM 927 C3' A B 305 -1.077 1.723 -25.374 1.00 0.00 C ATOM 928 O3' A B 305 -1.894 0.801 -26.092 1.00 0.00 O ATOM 929 C2' A B 305 -0.660 1.168 -24.040 1.00 0.00 C ATOM 930 O2' A B 305 -0.361 -0.176 -24.343 1.00 0.00 O ATOM 931 C1' A B 305 0.544 2.053 -23.729 1.00 0.00 C ATOM 932 N9 A B 305 0.189 3.307 -23.030 1.00 0.00 N ATOM 933 C8 A B 305 0.553 4.562 -23.364 1.00 0.00 C ATOM 934 N7 A B 305 0.067 5.476 -22.530 1.00 0.00 N ATOM 935 C5 A B 305 -0.645 4.744 -21.618 1.00 0.00 C ATOM 936 C6 A B 305 -1.392 5.132 -20.486 1.00 0.00 C ATOM 937 N6 A B 305 -1.547 6.415 -20.070 1.00 0.00 N ATOM 938 N1 A B 305 -1.996 4.147 -19.766 1.00 0.00 N ATOM 939 C2 A B 305 -1.847 2.866 -20.173 1.00 0.00 C ATOM 940 N3 A B 305 -1.163 2.385 -21.228 1.00 0.00 N ATOM 941 C4 A B 305 -0.584 3.417 -21.905 1.00 0.00 C ATOM 0 H5' A B 305 0.179 4.050 -26.576 1.00 0.00 H new ATOM 0 H5'' A B 305 1.073 3.096 -27.742 1.00 0.00 H new ATOM 0 H4' A B 305 0.519 1.104 -26.759 1.00 0.00 H new ATOM 0 H3' A B 305 -1.662 2.634 -25.250 1.00 0.00 H new ATOM 0 H2' A B 305 -1.344 1.172 -23.191 1.00 0.00 H new ATOM 0 HO2' A B 305 -0.990 -0.507 -25.017 1.00 0.00 H new ATOM 0 H1' A B 305 1.243 1.569 -23.047 1.00 0.00 H new ATOM 0 H8 A B 305 1.172 4.799 -24.217 1.00 0.00 H new ATOM 0 H61 A B 305 -2.103 6.618 -19.240 1.00 0.00 H new ATOM 0 H62 A B 305 -1.107 7.176 -20.588 1.00 0.00 H new ATOM 0 H2 A B 305 -2.347 2.125 -19.567 1.00 0.00 H new ATOM 953 P U B 306 -3.466 1.064 -26.230 1.00 0.00 P ATOM 954 OP1 U B 306 -3.773 2.459 -25.845 1.00 0.00 O ATOM 955 OP2 U B 306 -4.214 -0.013 -25.544 1.00 0.00 O ATOM 956 O5' U B 306 -3.719 0.918 -27.803 1.00 0.00 O ATOM 957 C5' U B 306 -4.561 1.849 -28.480 1.00 0.00 C ATOM 958 C4' U B 306 -5.056 1.254 -29.778 1.00 0.00 C ATOM 959 O4' U B 306 -4.483 -0.019 -30.039 1.00 0.00 O ATOM 960 C3' U B 306 -6.473 0.691 -29.714 1.00 0.00 C ATOM 961 O3' U B 306 -7.412 1.763 -29.773 1.00 0.00 O ATOM 962 C2' U B 306 -6.595 -0.215 -30.907 1.00 0.00 C ATOM 963 O2' U B 306 -7.257 0.599 -31.849 1.00 0.00 O ATOM 964 C1' U B 306 -5.124 -0.495 -31.202 1.00 0.00 C ATOM 965 N1 U B 306 -4.830 -1.926 -31.426 1.00 0.00 N ATOM 966 C2 U B 306 -4.180 -2.235 -32.581 1.00 0.00 C ATOM 967 O2 U B 306 -3.842 -1.405 -33.411 1.00 0.00 O ATOM 968 N3 U B 306 -3.905 -3.568 -32.792 1.00 0.00 N ATOM 969 C4 U B 306 -4.249 -4.563 -31.911 1.00 0.00 C ATOM 970 O4 U B 306 -3.952 -5.719 -32.203 1.00 0.00 O ATOM 971 C5 U B 306 -4.925 -4.185 -30.722 1.00 0.00 C ATOM 972 C6 U B 306 -5.181 -2.889 -30.537 1.00 0.00 C ATOM 0 H5' U B 306 -4.012 2.769 -28.679 1.00 0.00 H new ATOM 0 H5'' U B 306 -5.407 2.113 -27.846 1.00 0.00 H new ATOM 0 H4' U B 306 -4.868 2.083 -30.460 1.00 0.00 H new ATOM 0 H3' U B 306 -6.672 0.146 -28.791 1.00 0.00 H new ATOM 0 H2' U B 306 -7.139 -1.157 -30.843 1.00 0.00 H new ATOM 0 HO2' U B 306 -6.648 1.301 -32.160 1.00 0.00 H new ATOM 0 H1' U B 306 -4.793 -0.018 -32.125 1.00 0.00 H new ATOM 0 H3 U B 306 -3.419 -3.830 -33.650 1.00 0.00 H new ATOM 0 H5 U B 306 -5.222 -4.922 -29.991 1.00 0.00 H new ATOM 0 H6 U B 306 -5.693 -2.591 -29.634 1.00 0.00 H new ATOM 983 P C B 307 -7.071 3.079 -30.616 1.00 0.00 P ATOM 984 OP1 C B 307 -6.479 2.698 -31.918 1.00 0.00 O ATOM 985 OP2 C B 307 -6.312 4.029 -29.773 1.00 0.00 O ATOM 986 O5' C B 307 -8.514 3.711 -30.897 1.00 0.00 O ATOM 987 C5' C B 307 -9.011 3.793 -32.231 1.00 0.00 C ATOM 988 C4' C B 307 -10.440 3.304 -32.284 1.00 0.00 C ATOM 989 O4' C B 307 -10.546 2.033 -31.576 1.00 0.00 O ATOM 990 C3' C B 307 -11.388 4.018 -31.325 1.00 0.00 C ATOM 991 O3' C B 307 -11.816 5.246 -31.910 1.00 0.00 O ATOM 992 C2' C B 307 -12.537 3.071 -31.123 1.00 0.00 C ATOM 993 O2' C B 307 -13.280 3.228 -32.312 1.00 0.00 O ATOM 994 C1' C B 307 -11.794 1.746 -30.986 1.00 0.00 C ATOM 995 N1 C B 307 -11.633 1.304 -29.584 1.00 0.00 N ATOM 996 C2 C B 307 -12.770 0.863 -28.909 1.00 0.00 C ATOM 997 O2 C B 307 -13.851 0.862 -29.507 1.00 0.00 O ATOM 998 N3 C B 307 -12.648 0.456 -27.632 1.00 0.00 N ATOM 999 C4 C B 307 -11.487 0.463 -27.009 1.00 0.00 C ATOM 1000 N4 C B 307 -11.388 0.058 -25.749 1.00 0.00 N ATOM 1001 C5 C B 307 -10.293 0.915 -27.687 1.00 0.00 C ATOM 1002 C6 C B 307 -10.431 1.318 -28.958 1.00 0.00 C ATOM 0 H5' C B 307 -8.389 3.195 -32.897 1.00 0.00 H new ATOM 0 H5'' C B 307 -8.957 4.823 -32.585 1.00 0.00 H new ATOM 0 H4' C B 307 -10.673 3.378 -33.346 1.00 0.00 H new ATOM 0 H3' C B 307 -10.921 4.268 -30.372 1.00 0.00 H new ATOM 0 H2' C B 307 -13.223 3.191 -30.284 1.00 0.00 H new ATOM 0 HO2' C B 307 -13.214 4.156 -32.619 1.00 0.00 H new ATOM 0 H1' C B 307 -12.334 0.923 -31.454 1.00 0.00 H new ATOM 0 H41 C B 307 -10.483 0.069 -25.279 1.00 0.00 H new ATOM 0 H42 C B 307 -12.217 -0.264 -25.250 1.00 0.00 H new ATOM 0 H5 C B 307 -9.333 0.927 -27.192 1.00 0.00 H new ATOM 0 H6 C B 307 -9.561 1.663 -29.497 1.00 0.00 H new ATOM 1014 P U B 308 -11.733 6.605 -31.068 1.00 0.00 P ATOM 1015 OP1 U B 308 -10.595 6.537 -30.124 1.00 0.00 O ATOM 1016 OP2 U B 308 -13.065 6.927 -30.510 1.00 0.00 O ATOM 1017 O5' U B 308 -11.386 7.698 -32.183 1.00 0.00 O ATOM 1018 C5' U B 308 -10.645 8.864 -31.832 1.00 0.00 C ATOM 1019 C4' U B 308 -9.590 9.143 -32.880 1.00 0.00 C ATOM 1020 O4' U B 308 -8.816 7.956 -33.139 1.00 0.00 O ATOM 1021 C3' U B 308 -10.116 9.179 -34.312 1.00 0.00 C ATOM 1022 O3' U B 308 -10.741 10.438 -34.555 1.00 0.00 O ATOM 1023 C2' U B 308 -8.908 8.985 -35.184 1.00 0.00 C ATOM 1024 O2' U B 308 -8.560 10.307 -35.530 1.00 0.00 O ATOM 1025 C1' U B 308 -7.960 8.293 -34.208 1.00 0.00 C ATOM 1026 N1 U B 308 -7.310 7.091 -34.770 1.00 0.00 N ATOM 1027 C2 U B 308 -5.991 6.928 -34.478 1.00 0.00 C ATOM 1028 O2 U B 308 -5.346 7.707 -33.794 1.00 0.00 O ATOM 1029 N3 U B 308 -5.382 5.808 -35.001 1.00 0.00 N ATOM 1030 C4 U B 308 -6.032 4.884 -35.778 1.00 0.00 C ATOM 1031 O4 U B 308 -5.388 3.921 -36.192 1.00 0.00 O ATOM 1032 C5 U B 308 -7.408 5.102 -36.053 1.00 0.00 C ATOM 1033 C6 U B 308 -7.978 6.194 -35.536 1.00 0.00 C ATOM 0 H5' U B 308 -10.174 8.726 -30.858 1.00 0.00 H new ATOM 0 H5'' U B 308 -11.316 9.718 -31.744 1.00 0.00 H new ATOM 0 H4' U B 308 -9.126 10.048 -32.489 1.00 0.00 H new ATOM 0 H3' U B 308 -10.864 8.411 -34.509 1.00 0.00 H new ATOM 0 H2' U B 308 -8.968 8.405 -36.105 1.00 0.00 H new ATOM 0 HO2' U B 308 -9.309 10.906 -35.328 1.00 0.00 H new ATOM 0 H1' U B 308 -7.121 8.931 -33.929 1.00 0.00 H new ATOM 0 H3 U B 308 -4.393 5.658 -34.799 1.00 0.00 H new ATOM 0 H5 U B 308 -7.974 4.409 -36.659 1.00 0.00 H new ATOM 0 H6 U B 308 -9.024 6.371 -35.739 1.00 0.00 H new ATOM 1044 P G B 309 -12.135 10.500 -35.339 1.00 0.00 P ATOM 1045 OP1 G B 309 -12.435 11.901 -35.711 1.00 0.00 O ATOM 1046 OP2 G B 309 -13.167 9.759 -34.580 1.00 0.00 O ATOM 1047 O5' G B 309 -11.828 9.687 -36.682 1.00 0.00 O ATOM 1048 C5' G B 309 -12.329 10.159 -37.931 1.00 0.00 C ATOM 1049 C4' G B 309 -13.374 9.206 -38.467 1.00 0.00 C ATOM 1050 O4' G B 309 -12.863 7.904 -38.039 1.00 0.00 O ATOM 1051 C3' G B 309 -14.589 9.029 -37.561 1.00 0.00 C ATOM 1052 O3' G B 309 -15.539 10.057 -37.837 1.00 0.00 O ATOM 1053 C2' G B 309 -15.137 7.669 -37.892 1.00 0.00 C ATOM 1054 O2' G B 309 -16.025 7.942 -38.953 1.00 0.00 O ATOM 1055 C1' G B 309 -13.857 6.935 -38.282 1.00 0.00 C ATOM 1056 N9 G B 309 -13.616 5.711 -37.490 1.00 0.00 N ATOM 1057 C8 G B 309 -13.397 5.625 -36.160 1.00 0.00 C ATOM 1058 N7 G B 309 -13.214 4.373 -35.751 1.00 0.00 N ATOM 1059 C5 G B 309 -13.323 3.633 -36.898 1.00 0.00 C ATOM 1060 C6 G B 309 -13.227 2.244 -37.126 1.00 0.00 C ATOM 1061 O6 G B 309 -13.010 1.393 -36.265 1.00 0.00 O ATOM 1062 N1 G B 309 -13.387 1.807 -38.406 1.00 0.00 N ATOM 1063 C2 G B 309 -13.627 2.720 -39.374 1.00 0.00 C ATOM 1064 N2 G B 309 -13.760 2.139 -40.564 1.00 0.00 N ATOM 1065 N3 G B 309 -13.739 4.057 -39.271 1.00 0.00 N ATOM 1066 C4 G B 309 -13.569 4.429 -37.971 1.00 0.00 C ATOM 0 H5' G B 309 -11.512 10.255 -38.646 1.00 0.00 H new ATOM 0 H5'' G B 309 -12.761 11.152 -37.806 1.00 0.00 H new ATOM 0 H4' G B 309 -13.576 9.517 -39.492 1.00 0.00 H new ATOM 0 H3' G B 309 -14.343 9.101 -36.502 1.00 0.00 H new ATOM 0 H2' G B 309 -15.679 7.086 -37.148 1.00 0.00 H new ATOM 0 HO2' G B 309 -16.335 8.869 -38.889 1.00 0.00 H new ATOM 0 HO3' G B 309 -16.321 9.944 -37.257 1.00 0.00 H new ATOM 0 H1' G B 309 -13.889 6.572 -39.309 1.00 0.00 H new ATOM 0 H8 G B 309 -13.373 6.480 -35.501 1.00 0.00 H new ATOM 0 H1 G B 309 -13.327 0.814 -38.629 1.00 0.00 H new ATOM 0 H21 G B 309 -13.945 2.707 -41.391 1.00 0.00 H new ATOM 0 H22 G B 309 -13.677 1.126 -40.649 1.00 0.00 H new TER 1078 G B 309 HETATM 1079 ZN ZN A 57 -11.298 -5.282 -35.610 1.00 0.00 ZN