USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 516 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+ -152:sc= 0.0128 (180deg=0) USER MOD Set 1.2: B 519 U O2' : rot -31:sc= 0.443 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 53:sc= 0.873 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.284 K(o=-0.28,f=-2!) USER MOD Single : A 8 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0615) USER MOD Single : A 9 GLN : amide:sc= -1.39 K(o=-1.4,f=-4.3!) USER MOD Single : A 12 GLN : amide:sc= -0.359 K(o=-0.36,f=-5.4!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 25 GLN : amide:sc= -0.722 K(o=-0.72,f=-4.5!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -175:sc= 0.931 (180deg=0.769) USER MOD Single : A 42 LYS NZ :NH3+ -115:sc= 0.237 (180deg=-0.0734) 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 517 U O2' : rot -33:sc= 0.427 USER MOD Single : B 518 U O2' : rot -11:sc= 0.561 USER MOD Single : B 520 U O2' : rot -26:sc= 0.53 USER MOD Single : B 521 G O2' : rot -34:sc= 0.984 USER MOD Single : B 522 C O2' : rot -25:sc= 0.349 USER MOD Single : B 523 U O2' : rot -14:sc= 0.335 USER MOD Single : B 523 U O3' : rot 180:sc= 0.312 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.817 9.125 -5.690 1.00 0.00 N ATOM 2 CA ALA A 1 12.312 9.813 -4.515 1.00 0.00 C ATOM 3 C ALA A 1 13.236 10.985 -4.178 1.00 0.00 C ATOM 4 O ALA A 1 12.808 12.139 -4.183 1.00 0.00 O ATOM 5 CB ALA A 1 12.184 8.820 -3.358 1.00 0.00 C ATOM 0 H1 ALA A 1 12.191 8.328 -5.921 1.00 0.00 H new ATOM 0 H2 ALA A 1 12.848 9.786 -6.493 1.00 0.00 H new ATOM 0 H3 ALA A 1 13.775 8.768 -5.499 1.00 0.00 H new ATOM 0 HA ALA A 1 11.319 10.221 -4.706 1.00 0.00 H new ATOM 0 HB1 ALA A 1 11.805 9.336 -2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 1 11.494 8.023 -3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 1 13.162 8.392 -3.136 1.00 0.00 H new ATOM 11 N THR A 2 14.485 10.649 -3.892 1.00 0.00 N ATOM 12 CA THR A 2 15.473 11.660 -3.554 1.00 0.00 C ATOM 13 C THR A 2 16.096 12.242 -4.824 1.00 0.00 C ATOM 14 O THR A 2 17.153 11.792 -5.263 1.00 0.00 O ATOM 15 CB THR A 2 16.496 11.023 -2.611 1.00 0.00 C ATOM 16 OG1 THR A 2 17.011 9.918 -3.351 1.00 0.00 O ATOM 17 CG2 THR A 2 15.844 10.379 -1.387 1.00 0.00 C ATOM 0 H THR A 2 14.836 9.691 -3.887 1.00 0.00 H new ATOM 0 HA THR A 2 15.016 12.504 -3.038 1.00 0.00 H new ATOM 0 HB THR A 2 17.209 11.781 -2.286 1.00 0.00 H new ATOM 0 HG1 THR A 2 17.317 10.227 -4.229 1.00 0.00 H new ATOM 0 HG21 THR A 2 16.615 9.942 -0.752 1.00 0.00 H new ATOM 0 HG22 THR A 2 15.297 11.136 -0.825 1.00 0.00 H new ATOM 0 HG23 THR A 2 15.155 9.599 -1.710 1.00 0.00 H new ATOM 25 N VAL A 3 15.416 13.235 -5.377 1.00 0.00 N ATOM 26 CA VAL A 3 15.890 13.884 -6.587 1.00 0.00 C ATOM 27 C VAL A 3 15.741 15.399 -6.440 1.00 0.00 C ATOM 28 O VAL A 3 14.971 16.025 -7.168 1.00 0.00 O ATOM 29 CB VAL A 3 15.149 13.326 -7.805 1.00 0.00 C ATOM 30 CG1 VAL A 3 15.540 11.869 -8.063 1.00 0.00 C ATOM 31 CG2 VAL A 3 13.634 13.466 -7.637 1.00 0.00 C ATOM 0 H VAL A 3 14.540 13.606 -5.009 1.00 0.00 H new ATOM 0 HA VAL A 3 16.948 13.675 -6.743 1.00 0.00 H new ATOM 0 HB VAL A 3 15.445 13.912 -8.675 1.00 0.00 H new ATOM 0 HG11 VAL A 3 15.000 11.496 -8.933 1.00 0.00 H new ATOM 0 HG12 VAL A 3 16.612 11.807 -8.248 1.00 0.00 H new ATOM 0 HG13 VAL A 3 15.286 11.265 -7.192 1.00 0.00 H new ATOM 0 HG21 VAL A 3 13.132 13.062 -8.516 1.00 0.00 H new ATOM 0 HG22 VAL A 3 13.314 12.917 -6.752 1.00 0.00 H new ATOM 0 HG23 VAL A 3 13.376 14.519 -7.524 1.00 0.00 H new ATOM 41 N VAL A 4 16.488 15.946 -5.493 1.00 0.00 N ATOM 42 CA VAL A 4 16.449 17.377 -5.241 1.00 0.00 C ATOM 43 C VAL A 4 16.414 18.124 -6.576 1.00 0.00 C ATOM 44 O VAL A 4 17.081 17.729 -7.530 1.00 0.00 O ATOM 45 CB VAL A 4 17.630 17.784 -4.358 1.00 0.00 C ATOM 46 CG1 VAL A 4 17.539 17.124 -2.981 1.00 0.00 C ATOM 47 CG2 VAL A 4 18.961 17.457 -5.037 1.00 0.00 C ATOM 0 H VAL A 4 17.124 15.424 -4.890 1.00 0.00 H new ATOM 0 HA VAL A 4 15.545 17.645 -4.695 1.00 0.00 H new ATOM 0 HB VAL A 4 17.584 18.864 -4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 4 18.391 17.430 -2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 4 16.615 17.431 -2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 4 17.546 16.040 -3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 4 19.784 17.757 -4.388 1.00 0.00 H new ATOM 0 HG22 VAL A 4 19.019 16.385 -5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 4 19.030 17.996 -5.982 1.00 0.00 H new ATOM 57 N SER A 5 15.629 19.191 -6.598 1.00 0.00 N ATOM 58 CA SER A 5 15.499 19.999 -7.799 1.00 0.00 C ATOM 59 C SER A 5 14.825 19.184 -8.906 1.00 0.00 C ATOM 60 O SER A 5 15.266 18.080 -9.224 1.00 0.00 O ATOM 61 CB SER A 5 16.861 20.510 -8.270 1.00 0.00 C ATOM 62 OG SER A 5 16.913 21.933 -8.310 1.00 0.00 O ATOM 0 H SER A 5 15.077 19.515 -5.804 1.00 0.00 H new ATOM 0 HA SER A 5 14.879 20.864 -7.564 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.638 20.138 -7.603 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.074 20.112 -9.262 1.00 0.00 H new ATOM 0 HG SER A 5 17.800 22.220 -8.614 1.00 0.00 H new ATOM 68 N GLY A 6 13.769 19.760 -9.462 1.00 0.00 N ATOM 69 CA GLY A 6 13.032 19.101 -10.526 1.00 0.00 C ATOM 70 C GLY A 6 12.132 20.094 -11.265 1.00 0.00 C ATOM 71 O GLY A 6 11.432 20.887 -10.639 1.00 0.00 O ATOM 0 H GLY A 6 13.407 20.675 -9.195 1.00 0.00 H new ATOM 0 HA2 GLY A 6 13.730 18.645 -11.228 1.00 0.00 H new ATOM 0 HA3 GLY A 6 12.427 18.296 -10.110 1.00 0.00 H new ATOM 75 N GLN A 7 12.181 20.016 -12.587 1.00 0.00 N ATOM 76 CA GLN A 7 11.379 20.898 -13.418 1.00 0.00 C ATOM 77 C GLN A 7 10.174 20.143 -13.983 1.00 0.00 C ATOM 78 O GLN A 7 10.137 19.826 -15.172 1.00 0.00 O ATOM 79 CB GLN A 7 12.220 21.508 -14.541 1.00 0.00 C ATOM 80 CG GLN A 7 12.758 22.883 -14.138 1.00 0.00 C ATOM 81 CD GLN A 7 14.279 22.849 -13.977 1.00 0.00 C ATOM 82 OE1 GLN A 7 14.895 21.803 -13.861 1.00 0.00 O ATOM 83 NE2 GLN A 7 14.849 24.052 -13.977 1.00 0.00 N ATOM 0 H GLN A 7 12.763 19.356 -13.103 1.00 0.00 H new ATOM 0 HA GLN A 7 11.013 21.716 -12.798 1.00 0.00 H new ATOM 0 HB2 GLN A 7 13.051 20.844 -14.780 1.00 0.00 H new ATOM 0 HB3 GLN A 7 11.616 21.600 -15.444 1.00 0.00 H new ATOM 0 HG2 GLN A 7 12.485 23.620 -14.893 1.00 0.00 H new ATOM 0 HG3 GLN A 7 12.296 23.199 -13.202 1.00 0.00 H new ATOM 0 HE21 GLN A 7 14.274 24.889 -14.078 1.00 0.00 H new ATOM 0 HE22 GLN A 7 15.860 24.137 -13.876 1.00 0.00 H new ATOM 92 N LYS A 8 9.217 19.879 -13.106 1.00 0.00 N ATOM 93 CA LYS A 8 8.013 19.167 -13.504 1.00 0.00 C ATOM 94 C LYS A 8 7.255 19.997 -14.541 1.00 0.00 C ATOM 95 O LYS A 8 7.246 21.226 -14.473 1.00 0.00 O ATOM 96 CB LYS A 8 7.176 18.804 -12.275 1.00 0.00 C ATOM 97 CG LYS A 8 6.596 20.056 -11.616 1.00 0.00 C ATOM 98 CD LYS A 8 7.370 20.415 -10.346 1.00 0.00 C ATOM 99 CE LYS A 8 7.826 21.874 -10.374 1.00 0.00 C ATOM 100 NZ LYS A 8 6.658 22.783 -10.368 1.00 0.00 N ATOM 0 H LYS A 8 9.250 20.145 -12.122 1.00 0.00 H new ATOM 0 HA LYS A 8 8.269 18.220 -13.979 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.367 18.135 -12.567 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.793 18.264 -11.557 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.632 20.890 -12.317 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.547 19.890 -11.372 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.741 20.244 -9.472 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.237 19.762 -10.248 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.459 22.080 -9.511 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.431 22.055 -11.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.980 23.760 -10.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.163 22.719 -11.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.009 22.510 -9.602 1.00 0.00 H new ATOM 114 N GLN A 9 6.636 19.293 -15.477 1.00 0.00 N ATOM 115 CA GLN A 9 5.876 19.950 -16.527 1.00 0.00 C ATOM 116 C GLN A 9 4.415 19.498 -16.488 1.00 0.00 C ATOM 117 O GLN A 9 4.102 18.363 -16.843 1.00 0.00 O ATOM 118 CB GLN A 9 6.495 19.683 -17.901 1.00 0.00 C ATOM 119 CG GLN A 9 7.351 20.866 -18.356 1.00 0.00 C ATOM 120 CD GLN A 9 8.826 20.637 -18.022 1.00 0.00 C ATOM 121 OE1 GLN A 9 9.207 19.640 -17.430 1.00 0.00 O ATOM 122 NE2 GLN A 9 9.632 21.611 -18.433 1.00 0.00 N ATOM 0 H GLN A 9 6.645 18.274 -15.530 1.00 0.00 H new ATOM 0 HA GLN A 9 5.908 21.025 -16.352 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.107 18.782 -17.859 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.706 19.499 -18.630 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.236 21.011 -19.430 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.003 21.779 -17.873 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.247 22.418 -18.923 1.00 0.00 H new ATOM 0 HE22 GLN A 9 10.635 21.551 -18.258 1.00 0.00 H new ATOM 131 N ASP A 10 3.559 20.410 -16.049 1.00 0.00 N ATOM 132 CA ASP A 10 2.138 20.119 -15.959 1.00 0.00 C ATOM 133 C ASP A 10 1.344 21.415 -16.142 1.00 0.00 C ATOM 134 O ASP A 10 1.618 22.414 -15.479 1.00 0.00 O ATOM 135 CB ASP A 10 1.781 19.537 -14.589 1.00 0.00 C ATOM 136 CG ASP A 10 1.461 18.041 -14.587 1.00 0.00 C ATOM 137 OD1 ASP A 10 0.739 17.613 -15.513 1.00 0.00 O ATOM 138 OD2 ASP A 10 1.945 17.358 -13.658 1.00 0.00 O ATOM 0 H ASP A 10 3.822 21.350 -15.752 1.00 0.00 H new ATOM 0 HA ASP A 10 1.892 19.394 -16.735 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.612 19.717 -13.907 1.00 0.00 H new ATOM 0 HB3 ASP A 10 0.921 20.078 -14.194 1.00 0.00 H new ATOM 143 N ARG A 11 0.376 21.354 -17.046 1.00 0.00 N ATOM 144 CA ARG A 11 -0.459 22.511 -17.325 1.00 0.00 C ATOM 145 C ARG A 11 -1.512 22.162 -18.379 1.00 0.00 C ATOM 146 O ARG A 11 -1.214 21.480 -19.358 1.00 0.00 O ATOM 147 CB ARG A 11 0.380 23.689 -17.823 1.00 0.00 C ATOM 148 CG ARG A 11 -0.409 24.997 -17.740 1.00 0.00 C ATOM 149 CD ARG A 11 0.262 25.982 -16.782 1.00 0.00 C ATOM 150 NE ARG A 11 0.281 27.337 -17.378 1.00 0.00 N ATOM 151 CZ ARG A 11 0.645 28.444 -16.718 1.00 0.00 C ATOM 152 NH1 ARG A 11 1.024 28.365 -15.435 1.00 0.00 N ATOM 153 NH2 ARG A 11 0.631 29.631 -17.340 1.00 0.00 N ATOM 0 H ARG A 11 0.152 20.523 -17.594 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.950 22.798 -16.395 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.289 23.770 -17.227 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.688 23.511 -18.853 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.485 25.443 -18.732 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.425 24.792 -17.404 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.274 26.001 -15.833 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.280 25.656 -16.567 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.001 27.434 -18.353 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.035 27.462 -14.961 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.301 29.208 -14.932 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.343 29.692 -18.317 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.908 30.474 -16.837 1.00 0.00 H new ATOM 167 N GLN A 12 -2.723 22.645 -18.140 1.00 0.00 N ATOM 168 CA GLN A 12 -3.823 22.393 -19.056 1.00 0.00 C ATOM 169 C GLN A 12 -4.711 23.633 -19.173 1.00 0.00 C ATOM 170 O GLN A 12 -4.849 24.394 -18.216 1.00 0.00 O ATOM 171 CB GLN A 12 -4.636 21.174 -18.615 1.00 0.00 C ATOM 172 CG GLN A 12 -5.320 21.430 -17.270 1.00 0.00 C ATOM 173 CD GLN A 12 -4.503 20.841 -16.118 1.00 0.00 C ATOM 174 OE1 GLN A 12 -3.283 20.828 -16.131 1.00 0.00 O ATOM 175 NE2 GLN A 12 -5.242 20.357 -15.124 1.00 0.00 N ATOM 0 H GLN A 12 -2.966 23.209 -17.326 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.408 22.174 -20.040 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.386 20.940 -19.370 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.982 20.305 -18.535 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.446 22.502 -17.120 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.317 20.990 -17.276 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -6.260 20.400 -15.177 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.791 19.943 -14.308 1.00 0.00 H new ATOM 184 N GLY A 13 -5.293 23.796 -20.352 1.00 0.00 N ATOM 185 CA GLY A 13 -6.164 24.931 -20.606 1.00 0.00 C ATOM 186 C GLY A 13 -6.553 25.004 -22.084 1.00 0.00 C ATOM 187 O GLY A 13 -5.697 25.197 -22.946 1.00 0.00 O ATOM 0 H GLY A 13 -5.178 23.161 -21.142 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.062 24.849 -19.994 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.661 25.853 -20.313 1.00 0.00 H new ATOM 191 N GLY A 14 -7.845 24.846 -22.331 1.00 0.00 N ATOM 192 CA GLY A 14 -8.357 24.891 -23.690 1.00 0.00 C ATOM 193 C GLY A 14 -9.776 24.321 -23.761 1.00 0.00 C ATOM 194 O GLY A 14 -10.711 25.019 -24.149 1.00 0.00 O ATOM 0 H GLY A 14 -8.552 24.687 -21.613 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.356 25.920 -24.049 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.700 24.323 -24.349 1.00 0.00 H new ATOM 198 N GLU A 15 -9.890 23.058 -23.379 1.00 0.00 N ATOM 199 CA GLU A 15 -11.179 22.385 -23.394 1.00 0.00 C ATOM 200 C GLU A 15 -11.697 22.265 -24.828 1.00 0.00 C ATOM 201 O GLU A 15 -11.404 23.111 -25.671 1.00 0.00 O ATOM 202 CB GLU A 15 -12.187 23.114 -22.506 1.00 0.00 C ATOM 203 CG GLU A 15 -12.309 22.432 -21.141 1.00 0.00 C ATOM 204 CD GLU A 15 -13.626 22.807 -20.456 1.00 0.00 C ATOM 205 OE1 GLU A 15 -14.637 22.903 -21.186 1.00 0.00 O ATOM 206 OE2 GLU A 15 -13.591 22.989 -19.220 1.00 0.00 O ATOM 0 H GLU A 15 -9.112 22.482 -23.057 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.049 21.381 -22.990 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.877 24.150 -22.372 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.161 23.133 -22.995 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.254 21.350 -21.265 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.470 22.723 -20.509 1.00 0.00 H new ATOM 213 N ARG A 16 -12.459 21.206 -25.061 1.00 0.00 N ATOM 214 CA ARG A 16 -13.023 20.964 -26.379 1.00 0.00 C ATOM 215 C ARG A 16 -13.829 19.664 -26.382 1.00 0.00 C ATOM 216 O ARG A 16 -13.614 18.795 -25.536 1.00 0.00 O ATOM 217 CB ARG A 16 -11.923 20.877 -27.439 1.00 0.00 C ATOM 218 CG ARG A 16 -10.994 19.692 -27.170 1.00 0.00 C ATOM 219 CD ARG A 16 -9.533 20.071 -27.421 1.00 0.00 C ATOM 220 NE ARG A 16 -8.766 19.993 -26.159 1.00 0.00 N ATOM 221 CZ ARG A 16 -7.436 19.843 -26.096 1.00 0.00 C ATOM 222 NH1 ARG A 16 -6.718 19.755 -27.224 1.00 0.00 N ATOM 223 NH2 ARG A 16 -6.823 19.782 -24.905 1.00 0.00 N ATOM 0 H ARG A 16 -12.699 20.506 -24.359 1.00 0.00 H new ATOM 0 HA ARG A 16 -13.679 21.801 -26.618 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.372 20.774 -28.427 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.346 21.802 -27.446 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.115 19.358 -26.140 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.271 18.855 -27.811 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.097 19.402 -28.163 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.475 21.080 -27.829 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.282 20.057 -25.281 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.184 19.802 -28.130 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.706 19.641 -27.176 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.369 19.850 -24.046 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.811 19.668 -24.858 1.00 0.00 H new ATOM 237 N ARG A 17 -14.738 19.571 -27.340 1.00 0.00 N ATOM 238 CA ARG A 17 -15.578 18.391 -27.463 1.00 0.00 C ATOM 239 C ARG A 17 -14.714 17.127 -27.496 1.00 0.00 C ATOM 240 O ARG A 17 -13.831 16.997 -28.341 1.00 0.00 O ATOM 241 CB ARG A 17 -16.429 18.451 -28.732 1.00 0.00 C ATOM 242 CG ARG A 17 -17.644 19.360 -28.533 1.00 0.00 C ATOM 243 CD ARG A 17 -18.071 20.003 -29.854 1.00 0.00 C ATOM 244 NE ARG A 17 -19.003 21.122 -29.595 1.00 0.00 N ATOM 245 CZ ARG A 17 -20.321 20.974 -29.404 1.00 0.00 C ATOM 246 NH1 ARG A 17 -20.871 19.752 -29.442 1.00 0.00 N ATOM 247 NH2 ARG A 17 -21.090 22.048 -29.175 1.00 0.00 N ATOM 0 H ARG A 17 -14.912 20.293 -28.039 1.00 0.00 H new ATOM 0 HA ARG A 17 -16.239 18.362 -26.597 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -15.826 18.820 -29.562 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.760 17.448 -29.000 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -18.472 18.782 -28.122 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -17.406 20.137 -27.807 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -17.195 20.366 -30.391 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -18.550 19.260 -30.491 1.00 0.00 H new ATOM 0 HE ARG A 17 -18.618 22.066 -29.560 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -20.286 18.935 -29.616 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -21.874 19.640 -29.297 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -20.672 22.978 -29.146 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -22.093 21.935 -29.030 1.00 0.00 H new ATOM 261 N ARG A 18 -15.002 16.229 -26.566 1.00 0.00 N ATOM 262 CA ARG A 18 -14.264 14.980 -26.478 1.00 0.00 C ATOM 263 C ARG A 18 -14.847 13.949 -27.447 1.00 0.00 C ATOM 264 O ARG A 18 -15.422 12.948 -27.021 1.00 0.00 O ATOM 265 CB ARG A 18 -14.305 14.415 -25.057 1.00 0.00 C ATOM 266 CG ARG A 18 -13.760 15.428 -24.049 1.00 0.00 C ATOM 267 CD ARG A 18 -14.760 15.665 -22.915 1.00 0.00 C ATOM 268 NE ARG A 18 -15.811 16.609 -23.357 1.00 0.00 N ATOM 269 CZ ARG A 18 -15.682 17.942 -23.330 1.00 0.00 C ATOM 270 NH1 ARG A 18 -14.547 18.498 -22.884 1.00 0.00 N ATOM 271 NH2 ARG A 18 -16.689 18.721 -23.751 1.00 0.00 N ATOM 0 H ARG A 18 -15.736 16.341 -25.867 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.228 15.188 -26.744 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -15.330 14.152 -24.796 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.718 13.498 -25.009 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.817 15.066 -23.638 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.547 16.370 -24.554 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.212 14.720 -22.614 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.244 16.065 -22.042 1.00 0.00 H new ATOM 0 HE ARG A 18 -16.688 16.220 -23.704 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.780 17.906 -22.565 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.450 19.513 -22.864 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -17.553 18.298 -24.092 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.591 19.736 -23.731 1.00 0.00 H new ATOM 285 N SER A 19 -14.680 14.229 -28.731 1.00 0.00 N ATOM 286 CA SER A 19 -15.183 13.339 -29.763 1.00 0.00 C ATOM 287 C SER A 19 -16.550 12.785 -29.355 1.00 0.00 C ATOM 288 O SER A 19 -17.301 13.443 -28.638 1.00 0.00 O ATOM 289 CB SER A 19 -14.204 12.193 -30.028 1.00 0.00 C ATOM 290 OG SER A 19 -14.110 11.881 -31.415 1.00 0.00 O ATOM 0 H SER A 19 -14.203 15.060 -29.080 1.00 0.00 H new ATOM 0 HA SER A 19 -15.289 13.910 -30.685 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.218 12.464 -29.650 1.00 0.00 H new ATOM 0 HB3 SER A 19 -14.524 11.308 -29.478 1.00 0.00 H new ATOM 0 HG SER A 19 -13.474 11.146 -31.543 1.00 0.00 H new ATOM 296 N GLN A 20 -16.830 11.581 -29.831 1.00 0.00 N ATOM 297 CA GLN A 20 -18.094 10.931 -29.525 1.00 0.00 C ATOM 298 C GLN A 20 -17.979 10.133 -28.225 1.00 0.00 C ATOM 299 O GLN A 20 -18.478 9.012 -28.134 1.00 0.00 O ATOM 300 CB GLN A 20 -18.543 10.034 -30.681 1.00 0.00 C ATOM 301 CG GLN A 20 -20.050 9.774 -30.619 1.00 0.00 C ATOM 302 CD GLN A 20 -20.572 9.257 -31.961 1.00 0.00 C ATOM 303 OE1 GLN A 20 -19.824 8.822 -32.822 1.00 0.00 O ATOM 304 NE2 GLN A 20 -21.893 9.329 -32.091 1.00 0.00 N ATOM 0 H GLN A 20 -16.204 11.038 -30.426 1.00 0.00 H new ATOM 0 HA GLN A 20 -18.853 11.701 -29.390 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -18.290 10.505 -31.631 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -18.005 9.087 -30.642 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -20.265 9.047 -29.836 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -20.571 10.694 -30.352 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -22.461 9.704 -31.331 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -22.339 9.009 -32.951 1.00 0.00 H new ATOM 313 N LEU A 21 -17.319 10.741 -27.250 1.00 0.00 N ATOM 314 CA LEU A 21 -17.132 10.102 -25.960 1.00 0.00 C ATOM 315 C LEU A 21 -18.245 10.548 -25.009 1.00 0.00 C ATOM 316 O LEU A 21 -18.277 11.702 -24.584 1.00 0.00 O ATOM 317 CB LEU A 21 -15.723 10.370 -25.427 1.00 0.00 C ATOM 318 CG LEU A 21 -15.383 9.733 -24.079 1.00 0.00 C ATOM 319 CD1 LEU A 21 -15.684 10.694 -22.927 1.00 0.00 C ATOM 320 CD2 LEU A 21 -16.101 8.392 -23.909 1.00 0.00 C ATOM 0 H LEU A 21 -16.907 11.671 -27.329 1.00 0.00 H new ATOM 0 HA LEU A 21 -17.209 9.019 -26.057 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -15.003 10.016 -26.165 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.588 11.448 -25.341 1.00 0.00 H new ATOM 0 HG LEU A 21 -14.312 9.530 -24.058 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -15.433 10.216 -21.980 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.090 11.600 -23.045 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -16.743 10.951 -22.935 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -15.842 7.960 -22.942 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -17.179 8.547 -23.960 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.795 7.712 -24.704 1.00 0.00 H new ATOM 332 N ASP A 22 -19.130 9.610 -24.703 1.00 0.00 N ATOM 333 CA ASP A 22 -20.240 9.893 -23.810 1.00 0.00 C ATOM 334 C ASP A 22 -19.755 9.821 -22.361 1.00 0.00 C ATOM 335 O ASP A 22 -18.777 9.137 -22.063 1.00 0.00 O ATOM 336 CB ASP A 22 -21.362 8.868 -23.984 1.00 0.00 C ATOM 337 CG ASP A 22 -22.755 9.463 -24.194 1.00 0.00 C ATOM 338 OD1 ASP A 22 -22.813 10.639 -24.611 1.00 0.00 O ATOM 339 OD2 ASP A 22 -23.732 8.727 -23.932 1.00 0.00 O ATOM 0 H ASP A 22 -19.100 8.654 -25.058 1.00 0.00 H new ATOM 0 HA ASP A 22 -20.619 10.887 -24.048 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -21.123 8.232 -24.836 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -21.387 8.226 -23.104 1.00 0.00 H new ATOM 344 N ARG A 23 -20.461 10.536 -21.498 1.00 0.00 N ATOM 345 CA ARG A 23 -20.115 10.561 -20.086 1.00 0.00 C ATOM 346 C ARG A 23 -20.272 9.166 -19.476 1.00 0.00 C ATOM 347 O ARG A 23 -19.838 8.925 -18.351 1.00 0.00 O ATOM 348 CB ARG A 23 -20.999 11.548 -19.320 1.00 0.00 C ATOM 349 CG ARG A 23 -20.502 11.727 -17.884 1.00 0.00 C ATOM 350 CD ARG A 23 -19.028 12.133 -17.861 1.00 0.00 C ATOM 351 NE ARG A 23 -18.789 13.112 -16.777 1.00 0.00 N ATOM 352 CZ ARG A 23 -17.598 13.315 -16.197 1.00 0.00 C ATOM 353 NH1 ARG A 23 -16.530 12.610 -16.592 1.00 0.00 N ATOM 354 NH2 ARG A 23 -17.475 14.226 -15.221 1.00 0.00 N ATOM 0 H ARG A 23 -21.271 11.103 -21.749 1.00 0.00 H new ATOM 0 HA ARG A 23 -19.077 10.882 -20.004 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -21.002 12.511 -19.830 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -22.028 11.189 -19.311 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -21.100 12.487 -17.380 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -20.636 10.797 -17.331 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -18.402 11.253 -17.712 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -18.746 12.565 -18.821 1.00 0.00 H new ATOM 0 HE ARG A 23 -19.580 13.667 -16.451 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.622 11.918 -17.335 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.624 12.766 -16.150 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.288 14.764 -14.920 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.569 14.381 -14.779 1.00 0.00 H new ATOM 368 N ASP A 24 -20.895 8.286 -20.246 1.00 0.00 N ATOM 369 CA ASP A 24 -21.113 6.922 -19.794 1.00 0.00 C ATOM 370 C ASP A 24 -20.591 5.949 -20.854 1.00 0.00 C ATOM 371 O ASP A 24 -21.130 4.856 -21.016 1.00 0.00 O ATOM 372 CB ASP A 24 -22.603 6.643 -19.590 1.00 0.00 C ATOM 373 CG ASP A 24 -22.948 5.871 -18.315 1.00 0.00 C ATOM 374 OD1 ASP A 24 -22.148 4.977 -17.959 1.00 0.00 O ATOM 375 OD2 ASP A 24 -24.001 6.190 -17.724 1.00 0.00 O ATOM 0 H ASP A 24 -21.255 8.490 -21.178 1.00 0.00 H new ATOM 0 HA ASP A 24 -20.588 6.791 -18.848 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -23.137 7.593 -19.577 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -22.973 6.082 -20.448 1.00 0.00 H new ATOM 380 N GLN A 25 -19.549 6.382 -21.547 1.00 0.00 N ATOM 381 CA GLN A 25 -18.949 5.563 -22.586 1.00 0.00 C ATOM 382 C GLN A 25 -17.525 5.165 -22.192 1.00 0.00 C ATOM 383 O GLN A 25 -17.033 5.567 -21.137 1.00 0.00 O ATOM 384 CB GLN A 25 -18.962 6.289 -23.933 1.00 0.00 C ATOM 385 CG GLN A 25 -19.561 5.403 -25.027 1.00 0.00 C ATOM 386 CD GLN A 25 -19.450 6.074 -26.398 1.00 0.00 C ATOM 387 OE1 GLN A 25 -19.127 7.245 -26.519 1.00 0.00 O ATOM 388 NE2 GLN A 25 -19.737 5.272 -27.418 1.00 0.00 N ATOM 0 H GLN A 25 -19.105 7.290 -21.409 1.00 0.00 H new ATOM 0 HA GLN A 25 -19.543 4.655 -22.694 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -19.540 7.210 -23.849 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -17.946 6.574 -24.206 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -19.045 4.443 -25.045 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -20.608 5.199 -24.802 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -20.000 4.302 -27.245 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -19.694 5.627 -28.373 1.00 0.00 H new ATOM 397 N CYS A 26 -16.902 4.381 -23.059 1.00 0.00 N ATOM 398 CA CYS A 26 -15.545 3.925 -22.815 1.00 0.00 C ATOM 399 C CYS A 26 -14.613 4.636 -23.799 1.00 0.00 C ATOM 400 O CYS A 26 -14.875 4.660 -25.000 1.00 0.00 O ATOM 401 CB CYS A 26 -15.431 2.402 -22.921 1.00 0.00 C ATOM 402 SG CYS A 26 -13.692 1.886 -22.688 1.00 0.00 S ATOM 0 H CYS A 26 -17.313 4.050 -23.932 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.254 4.176 -21.795 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -16.063 1.929 -22.169 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -15.790 2.069 -23.895 1.00 0.00 H new ATOM 407 N ALA A 27 -13.546 5.199 -23.252 1.00 0.00 N ATOM 408 CA ALA A 27 -12.575 5.909 -24.067 1.00 0.00 C ATOM 409 C ALA A 27 -11.358 5.011 -24.302 1.00 0.00 C ATOM 410 O ALA A 27 -10.227 5.491 -24.343 1.00 0.00 O ATOM 411 CB ALA A 27 -12.202 7.227 -23.384 1.00 0.00 C ATOM 0 H ALA A 27 -13.332 5.178 -22.255 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.998 6.154 -25.041 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.474 7.760 -23.995 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.095 7.841 -23.266 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.772 7.020 -22.404 1.00 0.00 H new ATOM 417 N TYR A 28 -11.634 3.723 -24.453 1.00 0.00 N ATOM 418 CA TYR A 28 -10.577 2.754 -24.683 1.00 0.00 C ATOM 419 C TYR A 28 -10.908 1.856 -25.877 1.00 0.00 C ATOM 420 O TYR A 28 -10.094 1.698 -26.784 1.00 0.00 O ATOM 421 CB TYR A 28 -10.507 1.898 -23.418 1.00 0.00 C ATOM 422 CG TYR A 28 -9.141 1.251 -23.178 1.00 0.00 C ATOM 423 CD1 TYR A 28 -8.098 2.006 -22.682 1.00 0.00 C ATOM 424 CD2 TYR A 28 -8.951 -0.087 -23.460 1.00 0.00 C ATOM 425 CE1 TYR A 28 -6.812 1.399 -22.456 1.00 0.00 C ATOM 426 CE2 TYR A 28 -7.666 -0.695 -23.235 1.00 0.00 C ATOM 427 CZ TYR A 28 -6.660 0.078 -22.744 1.00 0.00 C ATOM 428 OH TYR A 28 -5.445 -0.497 -22.532 1.00 0.00 O ATOM 0 H TYR A 28 -12.574 3.329 -24.420 1.00 0.00 H new ATOM 0 HA TYR A 28 -9.634 3.257 -24.899 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -10.760 2.518 -22.558 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -11.263 1.115 -23.480 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.246 3.053 -22.463 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.767 -0.678 -23.850 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.988 1.979 -22.067 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.504 -1.741 -23.451 1.00 0.00 H new ATOM 0 HH TYR A 28 -5.483 -1.444 -22.781 1.00 0.00 H new ATOM 438 N CYS A 29 -12.104 1.289 -25.835 1.00 0.00 N ATOM 439 CA CYS A 29 -12.553 0.410 -26.902 1.00 0.00 C ATOM 440 C CYS A 29 -13.634 1.139 -27.703 1.00 0.00 C ATOM 441 O CYS A 29 -13.874 0.816 -28.865 1.00 0.00 O ATOM 442 CB CYS A 29 -13.054 -0.930 -26.358 1.00 0.00 C ATOM 443 SG CYS A 29 -14.486 -0.660 -25.250 1.00 0.00 S ATOM 0 H CYS A 29 -12.776 1.421 -25.079 1.00 0.00 H new ATOM 0 HA CYS A 29 -11.715 0.172 -27.557 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -13.340 -1.583 -27.183 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -12.254 -1.434 -25.816 1.00 0.00 H new ATOM 448 N LYS A 30 -14.256 2.111 -27.050 1.00 0.00 N ATOM 449 CA LYS A 30 -15.305 2.888 -27.687 1.00 0.00 C ATOM 450 C LYS A 30 -16.659 2.229 -27.415 1.00 0.00 C ATOM 451 O LYS A 30 -17.598 2.390 -28.193 1.00 0.00 O ATOM 452 CB LYS A 30 -15.002 3.079 -29.174 1.00 0.00 C ATOM 453 CG LYS A 30 -13.514 3.356 -29.400 1.00 0.00 C ATOM 454 CD LYS A 30 -13.310 4.671 -30.158 1.00 0.00 C ATOM 455 CE LYS A 30 -12.754 5.756 -29.234 1.00 0.00 C ATOM 456 NZ LYS A 30 -12.087 6.816 -30.023 1.00 0.00 N ATOM 0 H LYS A 30 -14.053 2.377 -26.087 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.347 3.891 -27.262 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.297 2.187 -29.726 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -15.593 3.907 -29.566 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -12.999 3.401 -28.440 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.069 2.535 -29.962 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.625 4.512 -30.991 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.258 5.001 -30.583 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.562 6.188 -28.643 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.045 5.316 -28.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.715 7.545 -29.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.304 6.402 -30.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.773 7.247 -30.675 1.00 0.00 H new ATOM 470 N GLU A 31 -16.716 1.503 -26.309 1.00 0.00 N ATOM 471 CA GLU A 31 -17.940 0.820 -25.924 1.00 0.00 C ATOM 472 C GLU A 31 -18.734 1.672 -24.933 1.00 0.00 C ATOM 473 O GLU A 31 -18.166 2.239 -24.001 1.00 0.00 O ATOM 474 CB GLU A 31 -17.637 -0.562 -25.341 1.00 0.00 C ATOM 475 CG GLU A 31 -18.904 -1.414 -25.262 1.00 0.00 C ATOM 476 CD GLU A 31 -19.265 -1.727 -23.809 1.00 0.00 C ATOM 477 OE1 GLU A 31 -19.991 -0.901 -23.213 1.00 0.00 O ATOM 478 OE2 GLU A 31 -18.807 -2.785 -23.325 1.00 0.00 O ATOM 0 H GLU A 31 -15.935 1.372 -25.667 1.00 0.00 H new ATOM 0 HA GLU A 31 -18.548 0.675 -26.817 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.894 -1.066 -25.959 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -17.205 -0.454 -24.346 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -19.730 -0.888 -25.740 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -18.756 -2.343 -25.812 1.00 0.00 H new ATOM 485 N LYS A 32 -20.037 1.736 -25.168 1.00 0.00 N ATOM 486 CA LYS A 32 -20.916 2.510 -24.307 1.00 0.00 C ATOM 487 C LYS A 32 -21.514 1.591 -23.239 1.00 0.00 C ATOM 488 O LYS A 32 -22.067 0.540 -23.558 1.00 0.00 O ATOM 489 CB LYS A 32 -21.964 3.250 -25.140 1.00 0.00 C ATOM 490 CG LYS A 32 -23.120 2.321 -25.518 1.00 0.00 C ATOM 491 CD LYS A 32 -23.859 2.841 -26.753 1.00 0.00 C ATOM 492 CE LYS A 32 -24.663 1.725 -27.421 1.00 0.00 C ATOM 493 NZ LYS A 32 -24.295 1.602 -28.849 1.00 0.00 N ATOM 0 H LYS A 32 -20.505 1.265 -25.942 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.354 3.284 -23.784 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -22.346 4.101 -24.577 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -21.501 3.647 -26.044 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -22.737 1.319 -25.714 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -23.814 2.239 -24.682 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -24.527 3.653 -26.466 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -23.142 3.253 -27.463 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -24.479 0.780 -26.910 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -25.729 1.933 -27.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -24.851 0.839 -29.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -24.493 2.499 -29.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -23.282 1.381 -28.929 1.00 0.00 H new ATOM 507 N GLY A 33 -21.383 2.022 -21.993 1.00 0.00 N ATOM 508 CA GLY A 33 -21.904 1.252 -20.877 1.00 0.00 C ATOM 509 C GLY A 33 -20.880 1.168 -19.743 1.00 0.00 C ATOM 510 O GLY A 33 -21.226 1.333 -18.575 1.00 0.00 O ATOM 0 H GLY A 33 -20.924 2.894 -21.732 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -22.821 1.712 -20.510 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.163 0.248 -21.213 1.00 0.00 H new ATOM 514 N HIS A 34 -19.637 0.911 -20.128 1.00 0.00 N ATOM 515 CA HIS A 34 -18.561 0.804 -19.159 1.00 0.00 C ATOM 516 C HIS A 34 -17.539 1.917 -19.401 1.00 0.00 C ATOM 517 O HIS A 34 -17.458 2.460 -20.502 1.00 0.00 O ATOM 518 CB HIS A 34 -17.936 -0.592 -19.194 1.00 0.00 C ATOM 519 CG HIS A 34 -17.109 -0.864 -20.427 1.00 0.00 C ATOM 520 ND1 HIS A 34 -17.595 -1.565 -21.517 1.00 0.00 N ATOM 521 CD2 HIS A 34 -15.823 -0.521 -20.732 1.00 0.00 C ATOM 522 CE1 HIS A 34 -16.637 -1.636 -22.430 1.00 0.00 C ATOM 523 NE2 HIS A 34 -15.540 -0.989 -21.941 1.00 0.00 N ATOM 0 H HIS A 34 -19.353 0.774 -21.098 1.00 0.00 H new ATOM 0 HA HIS A 34 -18.959 0.936 -18.153 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -17.308 -0.720 -18.312 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -18.730 -1.336 -19.130 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -18.532 -1.960 -21.603 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -15.150 0.037 -20.097 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -16.712 -2.121 -23.392 1.00 0.00 H new ATOM 531 N TRP A 35 -16.785 2.223 -18.356 1.00 0.00 N ATOM 532 CA TRP A 35 -15.772 3.261 -18.441 1.00 0.00 C ATOM 533 C TRP A 35 -14.447 2.599 -18.826 1.00 0.00 C ATOM 534 O TRP A 35 -14.287 1.389 -18.672 1.00 0.00 O ATOM 535 CB TRP A 35 -15.687 4.053 -17.135 1.00 0.00 C ATOM 536 CG TRP A 35 -16.515 5.339 -17.132 1.00 0.00 C ATOM 537 CD1 TRP A 35 -17.811 5.487 -17.438 1.00 0.00 C ATOM 538 CD2 TRP A 35 -16.048 6.662 -16.792 1.00 0.00 C ATOM 539 NE1 TRP A 35 -18.212 6.803 -17.322 1.00 0.00 N ATOM 540 CE2 TRP A 35 -17.105 7.539 -16.916 1.00 0.00 C ATOM 541 CE3 TRP A 35 -14.774 7.102 -16.393 1.00 0.00 C ATOM 542 CZ2 TRP A 35 -16.997 8.912 -16.660 1.00 0.00 C ATOM 543 CZ3 TRP A 35 -14.682 8.476 -16.140 1.00 0.00 C ATOM 544 CH2 TRP A 35 -15.737 9.373 -16.261 1.00 0.00 C ATOM 0 H TRP A 35 -16.855 1.770 -17.445 1.00 0.00 H new ATOM 0 HA TRP A 35 -16.032 3.991 -19.207 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -16.019 3.417 -16.314 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -14.644 4.304 -16.942 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -18.461 4.678 -17.738 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -19.148 7.168 -17.501 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -13.932 6.433 -16.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -17.840 9.579 -16.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -13.724 8.866 -15.829 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -15.585 10.421 -16.048 1.00 0.00 H new ATOM 555 N ALA A 36 -13.533 3.420 -19.319 1.00 0.00 N ATOM 556 CA ALA A 36 -12.228 2.930 -19.726 1.00 0.00 C ATOM 557 C ALA A 36 -11.529 2.291 -18.525 1.00 0.00 C ATOM 558 O ALA A 36 -10.790 1.320 -18.676 1.00 0.00 O ATOM 559 CB ALA A 36 -11.416 4.077 -20.330 1.00 0.00 C ATOM 0 H ALA A 36 -13.670 4.423 -19.446 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.330 2.163 -20.494 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.437 3.708 -20.635 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.940 4.476 -21.198 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.292 4.865 -19.587 1.00 0.00 H new ATOM 565 N LYS A 37 -11.789 2.862 -17.357 1.00 0.00 N ATOM 566 CA LYS A 37 -11.195 2.361 -16.130 1.00 0.00 C ATOM 567 C LYS A 37 -11.769 0.977 -15.818 1.00 0.00 C ATOM 568 O LYS A 37 -11.284 0.287 -14.923 1.00 0.00 O ATOM 569 CB LYS A 37 -11.375 3.371 -14.996 1.00 0.00 C ATOM 570 CG LYS A 37 -10.386 4.530 -15.131 1.00 0.00 C ATOM 571 CD LYS A 37 -10.952 5.632 -16.029 1.00 0.00 C ATOM 572 CE LYS A 37 -10.702 7.015 -15.423 1.00 0.00 C ATOM 573 NZ LYS A 37 -9.766 7.789 -16.269 1.00 0.00 N ATOM 0 H LYS A 37 -12.403 3.667 -17.235 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.118 2.240 -16.250 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.395 3.756 -15.006 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.230 2.875 -14.036 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.162 4.938 -14.145 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.447 4.165 -15.546 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.492 5.575 -17.015 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.022 5.480 -16.167 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.645 7.553 -15.328 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.292 6.910 -14.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.244 8.468 -15.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.094 7.140 -16.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.301 8.304 -16.997 1.00 0.00 H new ATOM 587 N ASP A 38 -12.793 0.613 -16.575 1.00 0.00 N ATOM 588 CA ASP A 38 -13.439 -0.676 -16.390 1.00 0.00 C ATOM 589 C ASP A 38 -13.548 -1.384 -17.743 1.00 0.00 C ATOM 590 O ASP A 38 -14.405 -2.247 -17.927 1.00 0.00 O ATOM 591 CB ASP A 38 -14.852 -0.509 -15.829 1.00 0.00 C ATOM 592 CG ASP A 38 -15.248 -1.530 -14.760 1.00 0.00 C ATOM 593 OD1 ASP A 38 -15.507 -2.689 -15.150 1.00 0.00 O ATOM 594 OD2 ASP A 38 -15.281 -1.129 -13.576 1.00 0.00 O ATOM 0 H ASP A 38 -13.192 1.187 -17.318 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.840 -1.257 -15.689 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -14.943 0.491 -15.406 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -15.564 -0.573 -16.652 1.00 0.00 H new ATOM 599 N CYS A 39 -12.669 -0.992 -18.653 1.00 0.00 N ATOM 600 CA CYS A 39 -12.656 -1.579 -19.982 1.00 0.00 C ATOM 601 C CYS A 39 -12.241 -3.047 -19.855 1.00 0.00 C ATOM 602 O CYS A 39 -11.258 -3.362 -19.189 1.00 0.00 O ATOM 603 CB CYS A 39 -11.739 -0.807 -20.932 1.00 0.00 C ATOM 604 SG CYS A 39 -11.953 -1.419 -22.644 1.00 0.00 S ATOM 0 H CYS A 39 -11.961 -0.275 -18.496 1.00 0.00 H new ATOM 0 HA CYS A 39 -13.653 -1.521 -20.418 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -11.968 0.258 -20.886 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.700 -0.923 -20.623 1.00 0.00 H new ATOM 609 N PRO A 40 -13.034 -3.927 -20.524 1.00 0.00 N ATOM 610 CA PRO A 40 -12.759 -5.354 -20.492 1.00 0.00 C ATOM 611 C PRO A 40 -11.563 -5.702 -21.381 1.00 0.00 C ATOM 612 O PRO A 40 -11.185 -6.867 -21.489 1.00 0.00 O ATOM 613 CB PRO A 40 -14.050 -6.014 -20.949 1.00 0.00 C ATOM 614 CG PRO A 40 -14.844 -4.929 -21.660 1.00 0.00 C ATOM 615 CD PRO A 40 -14.207 -3.590 -21.324 1.00 0.00 C ATOM 0 HA PRO A 40 -12.477 -5.706 -19.500 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -13.846 -6.850 -21.618 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -14.606 -6.413 -20.101 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -14.838 -5.095 -22.737 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -15.886 -4.947 -21.341 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -13.928 -3.047 -22.227 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -14.895 -2.953 -20.769 1.00 0.00 H new ATOM 623 N LYS A 41 -11.003 -4.670 -21.995 1.00 0.00 N ATOM 624 CA LYS A 41 -9.858 -4.852 -22.871 1.00 0.00 C ATOM 625 C LYS A 41 -8.570 -4.677 -22.064 1.00 0.00 C ATOM 626 O LYS A 41 -7.506 -5.132 -22.479 1.00 0.00 O ATOM 627 CB LYS A 41 -9.957 -3.921 -24.081 1.00 0.00 C ATOM 628 CG LYS A 41 -8.811 -4.176 -25.063 1.00 0.00 C ATOM 629 CD LYS A 41 -9.092 -3.519 -26.417 1.00 0.00 C ATOM 630 CE LYS A 41 -7.944 -3.768 -27.395 1.00 0.00 C ATOM 631 NZ LYS A 41 -8.186 -5.000 -28.178 1.00 0.00 N ATOM 0 H LYS A 41 -11.321 -3.705 -21.903 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.845 -5.864 -23.276 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.912 -4.072 -24.584 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.932 -2.883 -23.749 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.881 -3.785 -24.651 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.674 -5.249 -25.197 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.020 -3.914 -26.831 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.234 -2.447 -26.283 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.841 -2.917 -28.068 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.005 -3.857 -26.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.359 -5.200 -28.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.346 -5.798 -27.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.024 -4.870 -28.780 1.00 0.00 H new ATOM 645 N LYS A 42 -8.710 -4.016 -20.923 1.00 0.00 N ATOM 646 CA LYS A 42 -7.571 -3.775 -20.054 1.00 0.00 C ATOM 647 C LYS A 42 -6.947 -5.114 -19.655 1.00 0.00 C ATOM 648 O LYS A 42 -7.541 -5.879 -18.897 1.00 0.00 O ATOM 649 CB LYS A 42 -7.982 -2.909 -18.861 1.00 0.00 C ATOM 650 CG LYS A 42 -7.970 -1.424 -19.231 1.00 0.00 C ATOM 651 CD LYS A 42 -8.107 -0.547 -17.986 1.00 0.00 C ATOM 652 CE LYS A 42 -7.078 0.585 -17.997 1.00 0.00 C ATOM 653 NZ LYS A 42 -7.464 1.646 -17.039 1.00 0.00 N ATOM 0 H LYS A 42 -9.595 -3.640 -20.581 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.803 -3.209 -20.581 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.979 -3.196 -18.525 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.302 -3.085 -18.028 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.042 -1.182 -19.750 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.786 -1.211 -19.922 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.113 -0.129 -17.940 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.974 -1.156 -17.092 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.095 0.193 -17.738 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.000 1.004 -19.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.676 2.522 -17.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.307 1.345 -16.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.681 1.817 -16.376 1.00 0.00 H new ATOM 667 N PRO A 43 -5.726 -5.362 -20.199 1.00 0.00 N ATOM 668 CA PRO A 43 -5.014 -6.595 -19.908 1.00 0.00 C ATOM 669 C PRO A 43 -4.419 -6.567 -18.498 1.00 0.00 C ATOM 670 O PRO A 43 -4.599 -7.507 -17.726 1.00 0.00 O ATOM 671 CB PRO A 43 -3.958 -6.706 -20.995 1.00 0.00 C ATOM 672 CG PRO A 43 -3.811 -5.310 -21.577 1.00 0.00 C ATOM 673 CD PRO A 43 -4.991 -4.480 -21.101 1.00 0.00 C ATOM 0 HA PRO A 43 -5.667 -7.468 -19.914 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.012 -7.060 -20.586 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.260 -7.419 -21.762 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.872 -4.859 -21.255 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.788 -5.351 -22.666 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.659 -3.577 -20.588 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -5.613 -4.161 -21.937 1.00 0.00 H new ATOM 681 N ARG A 44 -3.723 -5.478 -18.207 1.00 0.00 N ATOM 682 CA ARG A 44 -3.102 -5.314 -16.904 1.00 0.00 C ATOM 683 C ARG A 44 -3.661 -4.075 -16.201 1.00 0.00 C ATOM 684 O ARG A 44 -4.221 -3.190 -16.847 1.00 0.00 O ATOM 685 CB ARG A 44 -1.584 -5.178 -17.031 1.00 0.00 C ATOM 686 CG ARG A 44 -1.208 -3.894 -17.775 1.00 0.00 C ATOM 687 CD ARG A 44 -0.188 -4.178 -18.880 1.00 0.00 C ATOM 688 NE ARG A 44 -0.533 -3.409 -20.096 1.00 0.00 N ATOM 689 CZ ARG A 44 0.129 -3.504 -21.258 1.00 0.00 C ATOM 690 NH1 ARG A 44 1.174 -4.335 -21.367 1.00 0.00 N ATOM 691 NH2 ARG A 44 -0.254 -2.767 -22.309 1.00 0.00 N ATOM 0 H ARG A 44 -3.575 -4.701 -18.851 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.328 -6.203 -16.315 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.132 -5.174 -16.039 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.181 -6.041 -17.561 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.102 -3.445 -18.207 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.796 -3.170 -17.072 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.812 -3.909 -18.541 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.172 -5.244 -19.106 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.324 -2.767 -20.047 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.466 -4.895 -20.566 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.678 -4.408 -22.251 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.049 -2.134 -22.225 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.250 -2.839 -23.193 1.00 0.00 H new ATOM 705 N GLY A 45 -3.489 -4.051 -14.887 1.00 0.00 N ATOM 706 CA GLY A 45 -3.969 -2.936 -14.090 1.00 0.00 C ATOM 707 C GLY A 45 -3.649 -3.142 -12.608 1.00 0.00 C ATOM 708 O GLY A 45 -3.126 -4.187 -12.222 1.00 0.00 O ATOM 0 H GLY A 45 -3.024 -4.786 -14.355 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.510 -2.011 -14.439 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.046 -2.828 -14.221 1.00 0.00 H new ATOM 712 N PRO A 46 -3.986 -2.104 -11.797 1.00 0.00 N ATOM 713 CA PRO A 46 -4.602 -0.904 -12.335 1.00 0.00 C ATOM 714 C PRO A 46 -3.574 -0.041 -13.069 1.00 0.00 C ATOM 715 O PRO A 46 -3.892 0.586 -14.078 1.00 0.00 O ATOM 716 CB PRO A 46 -5.215 -0.203 -11.132 1.00 0.00 C ATOM 717 CG PRO A 46 -4.525 -0.791 -9.913 1.00 0.00 C ATOM 718 CD PRO A 46 -3.790 -2.047 -10.351 1.00 0.00 C ATOM 0 HA PRO A 46 -5.364 -1.122 -13.084 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.060 0.875 -11.187 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.291 -0.369 -11.090 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.828 -0.071 -9.485 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.255 -1.027 -9.138 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.731 -1.996 -10.096 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.193 -2.933 -9.861 1.00 0.00 H new ATOM 726 N ARG A 47 -2.361 -0.038 -12.534 1.00 0.00 N ATOM 727 CA ARG A 47 -1.284 0.736 -13.126 1.00 0.00 C ATOM 728 C ARG A 47 -1.624 2.228 -13.096 1.00 0.00 C ATOM 729 O ARG A 47 -2.306 2.730 -13.988 1.00 0.00 O ATOM 730 CB ARG A 47 -1.027 0.308 -14.572 1.00 0.00 C ATOM 731 CG ARG A 47 0.301 0.872 -15.083 1.00 0.00 C ATOM 732 CD ARG A 47 0.905 -0.037 -16.156 1.00 0.00 C ATOM 733 NE ARG A 47 2.299 0.370 -16.437 1.00 0.00 N ATOM 734 CZ ARG A 47 3.170 -0.366 -17.141 1.00 0.00 C ATOM 735 NH1 ARG A 47 2.795 -1.553 -17.638 1.00 0.00 N ATOM 736 NH2 ARG A 47 4.415 0.083 -17.347 1.00 0.00 N ATOM 0 H ARG A 47 -2.101 -0.560 -11.697 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.384 0.553 -12.540 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.013 -0.780 -14.636 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.842 0.654 -15.208 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.143 1.870 -15.493 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.000 0.975 -14.253 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.881 -1.074 -15.822 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.310 0.018 -17.068 1.00 0.00 H new ATOM 0 HE ARG A 47 2.617 1.268 -16.072 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.847 -1.896 -17.480 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.457 -2.114 -18.174 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.701 0.986 -16.968 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.077 -0.478 -17.883 1.00 0.00 H new ATOM 750 N GLY A 48 -1.134 2.893 -12.060 1.00 0.00 N ATOM 751 CA GLY A 48 -1.378 4.317 -11.903 1.00 0.00 C ATOM 752 C GLY A 48 -0.098 5.122 -12.138 1.00 0.00 C ATOM 753 O GLY A 48 0.748 5.222 -11.251 1.00 0.00 O ATOM 0 H GLY A 48 -0.570 2.473 -11.322 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.147 4.637 -12.605 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.758 4.516 -10.901 1.00 0.00 H new ATOM 757 N PRO A 49 0.006 5.690 -13.370 1.00 0.00 N ATOM 758 CA PRO A 49 1.167 6.482 -13.734 1.00 0.00 C ATOM 759 C PRO A 49 1.124 7.858 -13.065 1.00 0.00 C ATOM 760 O PRO A 49 0.397 8.745 -13.510 1.00 0.00 O ATOM 761 CB PRO A 49 1.133 6.558 -15.251 1.00 0.00 C ATOM 762 CG PRO A 49 -0.290 6.205 -15.654 1.00 0.00 C ATOM 763 CD PRO A 49 -0.977 5.592 -14.445 1.00 0.00 C ATOM 0 HA PRO A 49 2.102 6.038 -13.392 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.401 7.556 -15.598 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.848 5.864 -15.693 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.825 7.095 -15.987 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.288 5.504 -16.488 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.892 6.129 -14.195 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.257 4.555 -14.632 1.00 0.00 H new ATOM 771 N ARG A 50 1.911 7.993 -12.008 1.00 0.00 N ATOM 772 CA ARG A 50 1.972 9.245 -11.274 1.00 0.00 C ATOM 773 C ARG A 50 3.425 9.695 -11.111 1.00 0.00 C ATOM 774 O ARG A 50 4.110 9.265 -10.184 1.00 0.00 O ATOM 775 CB ARG A 50 1.329 9.105 -9.893 1.00 0.00 C ATOM 776 CG ARG A 50 -0.173 9.389 -9.954 1.00 0.00 C ATOM 777 CD ARG A 50 -0.930 8.571 -8.907 1.00 0.00 C ATOM 778 NE ARG A 50 -1.258 9.421 -7.741 1.00 0.00 N ATOM 779 CZ ARG A 50 -0.428 9.640 -6.713 1.00 0.00 C ATOM 780 NH1 ARG A 50 0.786 9.073 -6.699 1.00 0.00 N ATOM 781 NH2 ARG A 50 -0.811 10.425 -5.697 1.00 0.00 N ATOM 0 H ARG A 50 2.512 7.255 -11.642 1.00 0.00 H new ATOM 0 HA ARG A 50 1.420 9.992 -11.845 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.497 8.098 -9.511 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.805 9.794 -9.195 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.352 10.451 -9.790 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.551 9.152 -10.948 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.844 8.166 -9.341 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.325 7.722 -8.590 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.174 9.868 -7.719 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.078 8.474 -7.471 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.418 9.240 -5.916 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.735 10.856 -5.706 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.178 10.591 -4.914 1.00 0.00 H new ATOM 795 N PRO A 51 3.862 10.577 -12.049 1.00 0.00 N ATOM 796 CA PRO A 51 5.221 11.089 -12.018 1.00 0.00 C ATOM 797 C PRO A 51 5.389 12.131 -10.910 1.00 0.00 C ATOM 798 O PRO A 51 5.434 13.330 -11.183 1.00 0.00 O ATOM 799 CB PRO A 51 5.460 11.656 -13.408 1.00 0.00 C ATOM 800 CG PRO A 51 4.082 11.859 -14.017 1.00 0.00 C ATOM 801 CD PRO A 51 3.079 11.106 -13.161 1.00 0.00 C ATOM 0 HA PRO A 51 5.956 10.318 -11.785 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.007 12.597 -13.357 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.057 10.972 -14.012 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.833 12.920 -14.053 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.060 11.492 -15.043 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.286 11.765 -12.808 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.600 10.305 -13.724 1.00 0.00 H new ATOM 809 N GLN A 52 5.477 11.637 -9.684 1.00 0.00 N ATOM 810 CA GLN A 52 5.638 12.511 -8.535 1.00 0.00 C ATOM 811 C GLN A 52 4.417 13.421 -8.384 1.00 0.00 C ATOM 812 O GLN A 52 3.669 13.624 -9.338 1.00 0.00 O ATOM 813 CB GLN A 52 6.924 13.333 -8.647 1.00 0.00 C ATOM 814 CG GLN A 52 8.158 12.442 -8.498 1.00 0.00 C ATOM 815 CD GLN A 52 9.100 12.605 -9.693 1.00 0.00 C ATOM 816 OE1 GLN A 52 8.925 12.005 -10.741 1.00 0.00 O ATOM 817 NE2 GLN A 52 10.106 13.449 -9.479 1.00 0.00 N ATOM 0 H GLN A 52 5.440 10.642 -9.461 1.00 0.00 H new ATOM 0 HA GLN A 52 5.718 11.892 -7.641 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.952 13.841 -9.611 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.934 14.106 -7.878 1.00 0.00 H new ATOM 0 HG2 GLN A 52 8.685 12.695 -7.578 1.00 0.00 H new ATOM 0 HG3 GLN A 52 7.850 11.400 -8.413 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.195 13.919 -8.578 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.789 13.626 -10.216 1.00 0.00 H new ATOM 826 N THR A 53 4.255 13.943 -7.177 1.00 0.00 N ATOM 827 CA THR A 53 3.138 14.827 -6.890 1.00 0.00 C ATOM 828 C THR A 53 3.346 15.530 -5.546 1.00 0.00 C ATOM 829 O THR A 53 3.795 14.913 -4.582 1.00 0.00 O ATOM 830 CB THR A 53 1.852 13.999 -6.949 1.00 0.00 C ATOM 831 OG1 THR A 53 0.811 14.964 -6.824 1.00 0.00 O ATOM 832 CG2 THR A 53 1.677 13.101 -5.722 1.00 0.00 C ATOM 0 H THR A 53 4.878 13.771 -6.388 1.00 0.00 H new ATOM 0 HA THR A 53 3.064 15.623 -7.631 1.00 0.00 H new ATOM 0 HB THR A 53 1.857 13.386 -7.850 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.059 14.513 -6.854 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.750 12.536 -5.814 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.518 12.411 -5.654 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.639 13.716 -4.823 1.00 0.00 H new ATOM 840 N SER A 54 3.009 16.811 -5.527 1.00 0.00 N ATOM 841 CA SER A 54 3.154 17.605 -4.319 1.00 0.00 C ATOM 842 C SER A 54 2.548 18.994 -4.529 1.00 0.00 C ATOM 843 O SER A 54 1.657 19.405 -3.787 1.00 0.00 O ATOM 844 CB SER A 54 4.624 17.724 -3.912 1.00 0.00 C ATOM 845 OG SER A 54 4.773 17.939 -2.510 1.00 0.00 O ATOM 0 H SER A 54 2.636 17.319 -6.329 1.00 0.00 H new ATOM 0 HA SER A 54 2.621 17.101 -3.513 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.154 16.816 -4.198 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.086 18.548 -4.456 1.00 0.00 H new ATOM 0 HG SER A 54 5.725 18.008 -2.289 1.00 0.00 H new ATOM 851 N LEU A 55 3.053 19.678 -5.545 1.00 0.00 N ATOM 852 CA LEU A 55 2.573 21.012 -5.862 1.00 0.00 C ATOM 853 C LEU A 55 2.818 21.935 -4.667 1.00 0.00 C ATOM 854 O LEU A 55 2.163 21.807 -3.634 1.00 0.00 O ATOM 855 CB LEU A 55 1.111 20.962 -6.310 1.00 0.00 C ATOM 856 CG LEU A 55 0.673 22.049 -7.295 1.00 0.00 C ATOM 857 CD1 LEU A 55 -0.745 21.788 -7.805 1.00 0.00 C ATOM 858 CD2 LEU A 55 0.811 23.440 -6.672 1.00 0.00 C ATOM 0 H LEU A 55 3.790 19.333 -6.160 1.00 0.00 H new ATOM 0 HA LEU A 55 3.127 21.426 -6.704 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.925 19.990 -6.766 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.478 21.025 -5.425 1.00 0.00 H new ATOM 0 HG LEU A 55 1.337 22.015 -8.159 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.031 22.575 -8.503 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.778 20.824 -8.312 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.438 21.779 -6.964 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.494 24.194 -7.392 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.186 23.503 -5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.852 23.615 -6.399 1.00 0.00 H new ATOM 870 N LEU A 56 3.762 22.846 -4.848 1.00 0.00 N ATOM 871 CA LEU A 56 4.103 23.791 -3.798 1.00 0.00 C ATOM 872 C LEU A 56 3.857 25.216 -4.300 1.00 0.00 C ATOM 873 O LEU A 56 2.846 25.830 -3.965 1.00 0.00 O ATOM 874 CB LEU A 56 5.530 23.551 -3.302 1.00 0.00 C ATOM 875 CG LEU A 56 5.664 23.021 -1.874 1.00 0.00 C ATOM 876 CD1 LEU A 56 7.029 22.365 -1.658 1.00 0.00 C ATOM 877 CD2 LEU A 56 5.389 24.126 -0.851 1.00 0.00 C ATOM 0 H LEU A 56 4.302 22.950 -5.707 1.00 0.00 H new ATOM 0 HA LEU A 56 3.461 23.643 -2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.014 22.845 -3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.081 24.489 -3.373 1.00 0.00 H new ATOM 0 HG LEU A 56 4.910 22.249 -1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.098 21.997 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.146 21.533 -2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.817 23.098 -1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.491 23.723 0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.103 24.937 -0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.377 24.506 -0.989 1.00 0.00 H new TER 889 LEU A 56 ATOM 890 P U B 517 0.458 0.677 -32.149 1.00 0.00 P ATOM 891 OP1 U B 517 1.369 1.822 -32.374 1.00 0.00 O ATOM 892 OP2 U B 517 1.066 -0.606 -31.731 1.00 0.00 O ATOM 893 O5' U B 517 -0.609 1.105 -31.036 1.00 0.00 O ATOM 894 C5' U B 517 -1.733 0.270 -30.768 1.00 0.00 C ATOM 895 C4' U B 517 -2.993 0.902 -31.313 1.00 0.00 C ATOM 896 O4' U B 517 -3.645 -0.182 -32.000 1.00 0.00 O ATOM 897 C3' U B 517 -4.057 1.195 -30.259 1.00 0.00 C ATOM 898 O3' U B 517 -3.986 2.569 -29.883 1.00 0.00 O ATOM 899 C2' U B 517 -5.369 0.870 -30.918 1.00 0.00 C ATOM 900 O2' U B 517 -5.601 2.006 -31.722 1.00 0.00 O ATOM 901 C1' U B 517 -4.999 -0.403 -31.674 1.00 0.00 C ATOM 902 N1 U B 517 -5.162 -1.632 -30.871 1.00 0.00 N ATOM 903 C2 U B 517 -6.249 -2.401 -31.157 1.00 0.00 C ATOM 904 O2 U B 517 -7.066 -2.123 -32.021 1.00 0.00 O ATOM 905 N3 U B 517 -6.403 -3.547 -30.411 1.00 0.00 N ATOM 906 C4 U B 517 -5.531 -3.932 -29.423 1.00 0.00 C ATOM 907 O4 U B 517 -5.768 -4.977 -28.819 1.00 0.00 O ATOM 908 C5 U B 517 -4.414 -3.094 -29.164 1.00 0.00 C ATOM 909 C6 U B 517 -4.285 -1.988 -29.900 1.00 0.00 C ATOM 0 H5' U B 517 -1.831 0.113 -29.694 1.00 0.00 H new ATOM 0 H5'' U B 517 -1.584 -0.710 -31.221 1.00 0.00 H new ATOM 0 H4' U B 517 -2.700 1.808 -31.844 1.00 0.00 H new ATOM 0 H3' U B 517 -3.925 0.611 -29.348 1.00 0.00 H new ATOM 0 H2' U B 517 -6.267 0.693 -30.326 1.00 0.00 H new ATOM 0 HO2' U B 517 -5.238 2.801 -31.278 1.00 0.00 H new ATOM 0 H1' U B 517 -5.646 -0.572 -32.535 1.00 0.00 H new ATOM 0 H3 U B 517 -7.209 -4.143 -30.602 1.00 0.00 H new ATOM 0 H5 U B 517 -3.694 -3.343 -28.398 1.00 0.00 H new ATOM 0 H6 U B 517 -3.439 -1.344 -29.713 1.00 0.00 H new ATOM 920 P U B 518 -2.800 3.081 -28.940 1.00 0.00 P ATOM 921 OP1 U B 518 -2.055 4.165 -29.620 1.00 0.00 O ATOM 922 OP2 U B 518 -2.020 1.923 -28.447 1.00 0.00 O ATOM 923 O5' U B 518 -3.576 3.719 -27.696 1.00 0.00 O ATOM 924 C5' U B 518 -4.001 5.080 -27.744 1.00 0.00 C ATOM 925 C4' U B 518 -5.489 5.151 -28.006 1.00 0.00 C ATOM 926 O4' U B 518 -5.870 3.836 -28.515 1.00 0.00 O ATOM 927 C3' U B 518 -6.359 4.929 -26.772 1.00 0.00 C ATOM 928 O3' U B 518 -6.455 6.147 -26.036 1.00 0.00 O ATOM 929 C2' U B 518 -7.698 4.498 -27.301 1.00 0.00 C ATOM 930 O2' U B 518 -8.363 5.724 -27.499 1.00 0.00 O ATOM 931 C1' U B 518 -7.277 3.765 -28.572 1.00 0.00 C ATOM 932 N1 U B 518 -7.740 2.363 -28.626 1.00 0.00 N ATOM 933 C2 U B 518 -8.925 2.142 -29.257 1.00 0.00 C ATOM 934 O2 U B 518 -9.598 3.026 -29.764 1.00 0.00 O ATOM 935 N3 U B 518 -9.358 0.836 -29.308 1.00 0.00 N ATOM 936 C4 U B 518 -8.664 -0.216 -28.765 1.00 0.00 C ATOM 937 O4 U B 518 -9.146 -1.342 -28.870 1.00 0.00 O ATOM 938 C5 U B 518 -7.433 0.070 -28.118 1.00 0.00 C ATOM 939 C6 U B 518 -7.032 1.344 -28.080 1.00 0.00 C ATOM 0 H5' U B 518 -3.460 5.611 -28.528 1.00 0.00 H new ATOM 0 H5'' U B 518 -3.766 5.576 -26.802 1.00 0.00 H new ATOM 0 H4' U B 518 -5.620 6.087 -28.549 1.00 0.00 H new ATOM 0 H3' U B 518 -5.951 4.179 -26.094 1.00 0.00 H new ATOM 0 H2' U B 518 -8.355 3.857 -26.713 1.00 0.00 H new ATOM 0 HO2' U B 518 -7.847 6.447 -27.085 1.00 0.00 H new ATOM 0 H1' U B 518 -7.713 4.212 -29.465 1.00 0.00 H new ATOM 0 H3 U B 518 -10.243 0.640 -29.775 1.00 0.00 H new ATOM 0 H5 U B 518 -6.841 -0.715 -27.672 1.00 0.00 H new ATOM 0 H6 U B 518 -6.097 1.573 -27.590 1.00 0.00 H new ATOM 950 P U B 519 -5.353 6.504 -24.932 1.00 0.00 P ATOM 951 OP1 U B 519 -4.689 7.778 -25.284 1.00 0.00 O ATOM 952 OP2 U B 519 -4.488 5.328 -24.692 1.00 0.00 O ATOM 953 O5' U B 519 -6.229 6.750 -23.616 1.00 0.00 O ATOM 954 C5' U B 519 -7.621 7.038 -23.729 1.00 0.00 C ATOM 955 C4' U B 519 -8.300 6.860 -22.390 1.00 0.00 C ATOM 956 O4' U B 519 -8.259 5.478 -21.991 1.00 0.00 O ATOM 957 C3' U B 519 -7.534 7.454 -21.212 1.00 0.00 C ATOM 958 O3' U B 519 -7.928 8.812 -21.025 1.00 0.00 O ATOM 959 C2' U B 519 -7.905 6.604 -20.028 1.00 0.00 C ATOM 960 O2' U B 519 -9.181 7.093 -19.684 1.00 0.00 O ATOM 961 C1' U B 519 -7.883 5.215 -20.658 1.00 0.00 C ATOM 962 N1 U B 519 -6.559 4.560 -20.597 1.00 0.00 N ATOM 963 C2 U B 519 -6.163 4.115 -19.373 1.00 0.00 C ATOM 964 O2 U B 519 -6.834 4.231 -18.360 1.00 0.00 O ATOM 965 N3 U B 519 -4.930 3.505 -19.313 1.00 0.00 N ATOM 966 C4 U B 519 -4.113 3.333 -20.402 1.00 0.00 C ATOM 967 O4 U B 519 -3.032 2.774 -20.232 1.00 0.00 O ATOM 968 C5 U B 519 -4.575 3.817 -21.655 1.00 0.00 C ATOM 969 C6 U B 519 -5.773 4.405 -21.690 1.00 0.00 C ATOM 0 H5' U B 519 -8.078 6.379 -24.467 1.00 0.00 H new ATOM 0 H5'' U B 519 -7.761 8.059 -24.083 1.00 0.00 H new ATOM 0 H4' U B 519 -9.278 7.312 -22.553 1.00 0.00 H new ATOM 0 H3' U B 519 -6.455 7.457 -21.366 1.00 0.00 H new ATOM 0 H2' U B 519 -7.296 6.603 -19.124 1.00 0.00 H new ATOM 0 HO2' U B 519 -9.236 8.047 -19.903 1.00 0.00 H new ATOM 0 H1' U B 519 -8.538 4.518 -20.135 1.00 0.00 H new ATOM 0 H3 U B 519 -4.606 3.162 -18.409 1.00 0.00 H new ATOM 0 H5 U B 519 -3.978 3.713 -22.549 1.00 0.00 H new ATOM 0 H6 U B 519 -6.134 4.776 -22.638 1.00 0.00 H new ATOM 980 P U B 520 -6.831 9.922 -20.673 1.00 0.00 P ATOM 981 OP1 U B 520 -5.513 9.506 -21.201 1.00 0.00 O ATOM 982 OP2 U B 520 -6.913 10.265 -19.236 1.00 0.00 O ATOM 983 O5' U B 520 -7.322 11.192 -21.513 1.00 0.00 O ATOM 984 C5' U B 520 -6.570 12.403 -21.480 1.00 0.00 C ATOM 985 C4' U B 520 -7.171 13.414 -22.429 1.00 0.00 C ATOM 986 O4' U B 520 -7.754 12.701 -23.546 1.00 0.00 O ATOM 987 C3' U B 520 -8.548 13.925 -22.015 1.00 0.00 C ATOM 988 O3' U B 520 -8.400 14.923 -21.007 1.00 0.00 O ATOM 989 C2' U B 520 -9.154 14.493 -23.269 1.00 0.00 C ATOM 990 O2' U B 520 -8.632 15.803 -23.301 1.00 0.00 O ATOM 991 C1' U B 520 -8.589 13.537 -24.316 1.00 0.00 C ATOM 992 N1 U B 520 -9.627 12.755 -25.020 1.00 0.00 N ATOM 993 C2 U B 520 -9.497 12.660 -26.371 1.00 0.00 C ATOM 994 O2 U B 520 -8.589 13.178 -27.003 1.00 0.00 O ATOM 995 N3 U B 520 -10.462 11.931 -27.029 1.00 0.00 N ATOM 996 C4 U B 520 -11.514 11.317 -26.396 1.00 0.00 C ATOM 997 O4 U B 520 -12.317 10.692 -27.086 1.00 0.00 O ATOM 998 C5 U B 520 -11.601 11.448 -24.985 1.00 0.00 C ATOM 999 C6 U B 520 -10.655 12.159 -24.367 1.00 0.00 C ATOM 0 H5' U B 520 -5.534 12.205 -21.756 1.00 0.00 H new ATOM 0 H5'' U B 520 -6.559 12.806 -20.467 1.00 0.00 H new ATOM 0 H4' U B 520 -6.370 14.144 -22.542 1.00 0.00 H new ATOM 0 H3' U B 520 -9.183 13.144 -21.596 1.00 0.00 H new ATOM 0 H2' U B 520 -10.235 14.564 -23.387 1.00 0.00 H new ATOM 0 HO2' U B 520 -8.424 16.095 -22.389 1.00 0.00 H new ATOM 0 H1' U B 520 -8.077 14.065 -25.121 1.00 0.00 H new ATOM 0 H3 U B 520 -10.391 11.842 -28.043 1.00 0.00 H new ATOM 0 H5 U B 520 -12.405 10.988 -24.430 1.00 0.00 H new ATOM 0 H6 U B 520 -10.711 12.265 -23.294 1.00 0.00 H new ATOM 1010 P G B 521 -8.849 14.614 -19.503 1.00 0.00 P ATOM 1011 OP1 G B 521 -9.151 15.882 -18.802 1.00 0.00 O ATOM 1012 OP2 G B 521 -7.874 13.699 -18.870 1.00 0.00 O ATOM 1013 O5' G B 521 -10.223 13.816 -19.696 1.00 0.00 O ATOM 1014 C5' G B 521 -11.464 14.518 -19.675 1.00 0.00 C ATOM 1015 C4' G B 521 -12.434 13.830 -18.741 1.00 0.00 C ATOM 1016 O4' G B 521 -12.862 12.603 -19.361 1.00 0.00 O ATOM 1017 C3' G B 521 -11.775 13.079 -17.588 1.00 0.00 C ATOM 1018 O3' G B 521 -11.446 13.999 -16.550 1.00 0.00 O ATOM 1019 C2' G B 521 -12.797 12.075 -17.133 1.00 0.00 C ATOM 1020 O2' G B 521 -13.648 12.846 -16.315 1.00 0.00 O ATOM 1021 C1' G B 521 -13.388 11.643 -18.471 1.00 0.00 C ATOM 1022 N9 G B 521 -13.001 10.275 -18.873 1.00 0.00 N ATOM 1023 C8 G B 521 -11.785 9.700 -18.758 1.00 0.00 C ATOM 1024 N7 G B 521 -11.763 8.452 -19.214 1.00 0.00 N ATOM 1025 C5 G B 521 -13.045 8.234 -19.641 1.00 0.00 C ATOM 1026 C6 G B 521 -13.658 7.106 -20.225 1.00 0.00 C ATOM 1027 O6 G B 521 -13.099 6.038 -20.469 1.00 0.00 O ATOM 1028 N1 G B 521 -14.977 7.204 -20.545 1.00 0.00 N ATOM 1029 C2 G B 521 -15.618 8.366 -20.288 1.00 0.00 C ATOM 1030 N2 G B 521 -16.896 8.305 -20.655 1.00 0.00 N ATOM 1031 N3 G B 521 -15.137 9.498 -19.739 1.00 0.00 N ATOM 1032 C4 G B 521 -13.818 9.334 -19.443 1.00 0.00 C ATOM 0 H5' G B 521 -11.883 14.561 -20.680 1.00 0.00 H new ATOM 0 H5'' G B 521 -11.304 15.547 -19.352 1.00 0.00 H new ATOM 0 H4' G B 521 -13.130 14.627 -18.479 1.00 0.00 H new ATOM 0 H3' G B 521 -10.848 12.585 -17.878 1.00 0.00 H new ATOM 0 H2' G B 521 -12.502 11.193 -16.565 1.00 0.00 H new ATOM 0 HO2' G B 521 -13.123 13.529 -15.849 1.00 0.00 H new ATOM 0 H1' G B 521 -14.477 11.603 -18.444 1.00 0.00 H new ATOM 0 H8 G B 521 -10.924 10.200 -18.341 1.00 0.00 H new ATOM 0 H1 G B 521 -15.471 6.419 -20.969 1.00 0.00 H new ATOM 0 H21 G B 521 -17.504 9.113 -20.520 1.00 0.00 H new ATOM 0 H22 G B 521 -17.267 7.451 -21.071 1.00 0.00 H new ATOM 1044 P C B 522 -10.406 13.579 -15.408 1.00 0.00 P ATOM 1045 OP1 C B 522 -9.235 14.483 -15.444 1.00 0.00 O ATOM 1046 OP2 C B 522 -10.148 12.123 -15.481 1.00 0.00 O ATOM 1047 O5' C B 522 -11.215 13.871 -14.059 1.00 0.00 O ATOM 1048 C5' C B 522 -10.522 13.956 -12.816 1.00 0.00 C ATOM 1049 C4' C B 522 -11.360 14.701 -11.803 1.00 0.00 C ATOM 1050 O4' C B 522 -11.943 15.789 -12.570 1.00 0.00 O ATOM 1051 C3' C B 522 -12.722 14.070 -11.526 1.00 0.00 C ATOM 1052 O3' C B 522 -12.593 13.100 -10.487 1.00 0.00 O ATOM 1053 C2' C B 522 -13.611 15.209 -11.111 1.00 0.00 C ATOM 1054 O2' C B 522 -13.225 15.432 -9.773 1.00 0.00 O ATOM 1055 C1' C B 522 -13.179 16.283 -12.104 1.00 0.00 C ATOM 1056 N1 C B 522 -14.132 16.474 -13.218 1.00 0.00 N ATOM 1057 C2 C B 522 -15.104 17.463 -13.078 1.00 0.00 C ATOM 1058 O2 C B 522 -15.123 18.129 -12.038 1.00 0.00 O ATOM 1059 N3 C B 522 -15.983 17.654 -14.078 1.00 0.00 N ATOM 1060 C4 C B 522 -15.948 16.933 -15.181 1.00 0.00 C ATOM 1061 N4 C B 522 -16.824 17.137 -16.157 1.00 0.00 N ATOM 1062 C5 C B 522 -14.950 15.902 -15.352 1.00 0.00 C ATOM 1063 C6 C B 522 -14.081 15.723 -14.346 1.00 0.00 C ATOM 0 H5' C B 522 -9.569 14.466 -12.956 1.00 0.00 H new ATOM 0 H5'' C B 522 -10.297 12.955 -12.447 1.00 0.00 H new ATOM 0 H4' C B 522 -10.724 14.837 -10.928 1.00 0.00 H new ATOM 0 H3' C B 522 -13.134 13.552 -12.392 1.00 0.00 H new ATOM 0 H2' C B 522 -14.696 15.110 -11.131 1.00 0.00 H new ATOM 0 HO2' C B 522 -12.854 14.606 -9.398 1.00 0.00 H new ATOM 0 H1' C B 522 -13.124 17.269 -11.643 1.00 0.00 H new ATOM 0 H41 C B 522 -16.784 16.571 -17.005 1.00 0.00 H new ATOM 0 H42 C B 522 -17.537 17.860 -16.059 1.00 0.00 H new ATOM 0 H5 C B 522 -14.906 15.303 -16.249 1.00 0.00 H new ATOM 0 H6 C B 522 -13.321 14.961 -14.437 1.00 0.00 H new ATOM 1075 P U B 523 -13.802 12.102 -10.171 1.00 0.00 P ATOM 1076 OP1 U B 523 -14.170 11.360 -11.397 1.00 0.00 O ATOM 1077 OP2 U B 523 -14.881 12.832 -9.465 1.00 0.00 O ATOM 1078 O5' U B 523 -13.152 11.065 -9.140 1.00 0.00 O ATOM 1079 C5' U B 523 -12.717 9.785 -9.596 1.00 0.00 C ATOM 1080 C4' U B 523 -12.133 8.996 -8.448 1.00 0.00 C ATOM 1081 O4' U B 523 -11.819 9.963 -7.427 1.00 0.00 O ATOM 1082 C3' U B 523 -13.161 8.217 -7.631 1.00 0.00 C ATOM 1083 O3' U B 523 -13.305 6.899 -8.183 1.00 0.00 O ATOM 1084 C2' U B 523 -12.608 8.174 -6.233 1.00 0.00 C ATOM 1085 O2' U B 523 -11.619 7.173 -6.322 1.00 0.00 O ATOM 1086 C1' U B 523 -12.085 9.600 -6.091 1.00 0.00 C ATOM 1087 N1 U B 523 -13.059 10.525 -5.471 1.00 0.00 N ATOM 1088 C2 U B 523 -12.848 10.834 -4.162 1.00 0.00 C ATOM 1089 O2 U B 523 -11.919 10.394 -3.503 1.00 0.00 O ATOM 1090 N3 U B 523 -13.752 11.695 -3.583 1.00 0.00 N ATOM 1091 C4 U B 523 -14.822 12.236 -4.252 1.00 0.00 C ATOM 1092 O4 U B 523 -15.567 12.994 -3.633 1.00 0.00 O ATOM 1093 C5 U B 523 -14.996 11.879 -5.615 1.00 0.00 C ATOM 1094 C6 U B 523 -14.107 11.043 -6.157 1.00 0.00 C ATOM 0 H5' U B 523 -11.971 9.904 -10.382 1.00 0.00 H new ATOM 0 H5'' U B 523 -13.555 9.241 -10.032 1.00 0.00 H new ATOM 0 H4' U B 523 -11.360 8.369 -8.892 1.00 0.00 H new ATOM 0 H3' U B 523 -14.150 8.675 -7.642 1.00 0.00 H new ATOM 0 H2' U B 523 -13.247 7.935 -5.383 1.00 0.00 H new ATOM 0 HO2' U B 523 -11.734 6.672 -7.157 1.00 0.00 H new ATOM 0 HO3' U B 523 -13.963 6.395 -7.660 1.00 0.00 H new ATOM 0 H1' U B 523 -11.220 9.655 -5.430 1.00 0.00 H new ATOM 0 H3 U B 523 -13.620 11.945 -2.603 1.00 0.00 H new ATOM 0 H5 U B 523 -15.820 12.270 -6.194 1.00 0.00 H new ATOM 0 H6 U B 523 -14.229 10.766 -7.194 1.00 0.00 H new TER 1105 U B 523 HETATM 1106 ZN ZN A 57 -13.974 -0.381 -23.019 1.00 0.00 ZN