USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 553 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 147 HIS HE2 : A 147 HIS NE2 : A 187 ZNZN :(H bumps) USER MOD NoAdj-H: A 169 HIS HE2 : A 169 HIS NE2 : A 188 ZNZN :(H bumps) USER MOD Set 1.1: A 179 GLN : amide:sc= 0.648 K(o=1.6,f=-0.12) USER MOD Set 1.2: A 180 GLN : amide:sc= 0.988 K(o=1.6,f=-0.12) USER MOD Set 2.1: A 150 LYS NZ :NH3+ 156:sc= 0.637 (180deg=-0.204) USER MOD Set 2.2: B 4 A O2' : rot 180:sc= 0.616 USER MOD Set 3.1: A 148 HIS : no HD1:sc= -1.07 K(o=-1.2,f=1.8) USER MOD Set 3.2: B 5 G O2' : rot 27:sc= -0.159 USER MOD Single : A 125 LYS NZ :NH3+ -167:sc=-0.00838 (180deg=-0.199) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 MET CE :methyl 179:sc= -0.459 (180deg=-0.476) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot -130:sc= 0.711 USER MOD Single : A 135 LYS NZ :NH3+ 178:sc= -1.07 (180deg=-1.2) USER MOD Single : A 140 TYR OH : rot -108:sc= 0.163 USER MOD Single : A 141 ASN : amide:sc= -0.651 X(o=-0.65,f=-0.67) USER MOD Single : A 153 LYS NZ :NH3+ 166:sc= -0.0139 (180deg=-0.235) USER MOD Single : A 157 GLN : amide:sc= -0.0383 X(o=-0.038,f=-0.081) USER MOD Single : A 159 LYS NZ :NH3+ 142:sc= 0.755 (180deg=-0.13) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 HIS : no HD1:sc= -0.525 K(o=-0.52,f=-1.5) USER MOD Single : A 165 GLN : amide:sc= -0.687 X(o=-0.69,f=-0.82) USER MOD Single : A 166 SER OG : rot 82:sc= 1.25 USER MOD Single : A 168 SER OG : rot 180:sc= -0.321 USER MOD Single : A 170 MET CE :methyl -172:sc= -5.18! (180deg=-5.68!) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 177 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.0728) USER MOD Single : A 183 SER OG : rot 180:sc= 0.00426 USER MOD Single : A 185 GLN : amide:sc=-0.00292 K(o=-0.0029,f=-1.1) USER MOD Single : B 1 A O2' : rot 70:sc= -0.775 USER MOD Single : B 1 A O5' : rot 5:sc=7.15e-05 USER MOD Single : B 2 G O2' : rot -77:sc= -0.524 USER MOD Single : B 3 G O2' : rot -48:sc= 0.489 USER MOD Single : B 6 A O2' : rot 100:sc= 0.92 USER MOD Single : B 7 U O2' : rot 180:sc= 0 USER MOD Single : B 7 U O3' : rot 127:sc= 0.0978 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 124 10.175 -10.607 0.396 1.00 0.00 N ATOM 2 CA PRO A 124 9.750 -9.269 0.840 1.00 0.00 C ATOM 3 C PRO A 124 10.444 -8.159 0.056 1.00 0.00 C ATOM 4 O PRO A 124 11.168 -8.429 -0.900 1.00 0.00 O ATOM 5 CB PRO A 124 10.042 -9.195 2.341 1.00 0.00 C ATOM 6 CG PRO A 124 10.123 -10.653 2.799 1.00 0.00 C ATOM 7 CD PRO A 124 9.796 -11.450 1.539 1.00 0.00 C ATOM 0 HA PRO A 124 8.687 -9.118 0.652 1.00 0.00 H new ATOM 0 HB2 PRO A 124 10.975 -8.667 2.536 1.00 0.00 H new ATOM 0 HB3 PRO A 124 9.255 -8.658 2.870 1.00 0.00 H new ATOM 0 HG2 PRO A 124 11.114 -10.898 3.181 1.00 0.00 H new ATOM 0 HG3 PRO A 124 9.413 -10.861 3.599 1.00 0.00 H new ATOM 0 HD2 PRO A 124 10.344 -12.392 1.524 1.00 0.00 H new ATOM 0 HD3 PRO A 124 8.735 -11.698 1.502 1.00 0.00 H new ATOM 15 N LYS A 125 10.223 -6.906 0.467 1.00 0.00 N ATOM 16 CA LYS A 125 10.842 -5.734 -0.142 1.00 0.00 C ATOM 17 C LYS A 125 11.130 -4.708 0.944 1.00 0.00 C ATOM 18 O LYS A 125 10.771 -4.917 2.101 1.00 0.00 O ATOM 19 CB LYS A 125 9.925 -5.136 -1.216 1.00 0.00 C ATOM 20 CG LYS A 125 9.812 -6.062 -2.431 1.00 0.00 C ATOM 21 CD LYS A 125 9.037 -5.346 -3.535 1.00 0.00 C ATOM 22 CE LYS A 125 8.951 -6.215 -4.792 1.00 0.00 C ATOM 23 NZ LYS A 125 10.278 -6.413 -5.405 1.00 0.00 N ATOM 0 H LYS A 125 9.600 -6.679 1.242 1.00 0.00 H new ATOM 0 HA LYS A 125 11.775 -6.026 -0.625 1.00 0.00 H new ATOM 0 HB2 LYS A 125 8.935 -4.962 -0.796 1.00 0.00 H new ATOM 0 HB3 LYS A 125 10.313 -4.167 -1.530 1.00 0.00 H new ATOM 0 HG2 LYS A 125 10.805 -6.338 -2.787 1.00 0.00 H new ATOM 0 HG3 LYS A 125 9.304 -6.986 -2.154 1.00 0.00 H new ATOM 0 HD2 LYS A 125 8.033 -5.107 -3.184 1.00 0.00 H new ATOM 0 HD3 LYS A 125 9.525 -4.401 -3.774 1.00 0.00 H new ATOM 0 HE2 LYS A 125 8.519 -7.183 -4.538 1.00 0.00 H new ATOM 0 HE3 LYS A 125 8.282 -5.747 -5.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 10.164 -6.811 -6.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 10.771 -5.500 -5.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 10.836 -7.068 -4.821 1.00 0.00 H new ATOM 37 N GLY A 126 11.778 -3.600 0.585 1.00 0.00 N ATOM 38 CA GLY A 126 12.099 -2.575 1.566 1.00 0.00 C ATOM 39 C GLY A 126 13.275 -1.705 1.157 1.00 0.00 C ATOM 40 O GLY A 126 14.031 -1.252 2.015 1.00 0.00 O ATOM 0 H GLY A 126 12.086 -3.395 -0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 126 11.224 -1.943 1.722 1.00 0.00 H new ATOM 0 HA3 GLY A 126 12.322 -3.052 2.521 1.00 0.00 H new ATOM 44 N LYS A 127 13.435 -1.472 -0.145 1.00 0.00 N ATOM 45 CA LYS A 127 14.609 -0.807 -0.696 1.00 0.00 C ATOM 46 C LYS A 127 14.207 0.239 -1.730 1.00 0.00 C ATOM 47 O LYS A 127 13.027 0.401 -2.037 1.00 0.00 O ATOM 48 CB LYS A 127 15.533 -1.854 -1.333 1.00 0.00 C ATOM 49 CG LYS A 127 16.001 -2.914 -0.331 1.00 0.00 C ATOM 50 CD LYS A 127 16.872 -2.287 0.759 1.00 0.00 C ATOM 51 CE LYS A 127 17.195 -3.357 1.801 1.00 0.00 C ATOM 52 NZ LYS A 127 17.943 -2.784 2.935 1.00 0.00 N ATOM 0 H LYS A 127 12.748 -1.742 -0.849 1.00 0.00 H new ATOM 0 HA LYS A 127 15.136 -0.297 0.110 1.00 0.00 H new ATOM 0 HB2 LYS A 127 15.010 -2.342 -2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 127 16.402 -1.354 -1.760 1.00 0.00 H new ATOM 0 HG2 LYS A 127 15.136 -3.399 0.123 1.00 0.00 H new ATOM 0 HG3 LYS A 127 16.564 -3.689 -0.851 1.00 0.00 H new ATOM 0 HD2 LYS A 127 17.791 -1.890 0.327 1.00 0.00 H new ATOM 0 HD3 LYS A 127 16.351 -1.450 1.225 1.00 0.00 H new ATOM 0 HE2 LYS A 127 16.271 -3.809 2.162 1.00 0.00 H new ATOM 0 HE3 LYS A 127 17.780 -4.153 1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 18.150 -3.532 3.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 18.835 -2.375 2.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 17.373 -2.041 3.387 1.00 0.00 H new ATOM 66 N SER A 128 15.212 0.941 -2.257 1.00 0.00 N ATOM 67 CA SER A 128 15.034 1.943 -3.297 1.00 0.00 C ATOM 68 C SER A 128 13.948 2.953 -2.948 1.00 0.00 C ATOM 69 O SER A 128 12.951 3.095 -3.656 1.00 0.00 O ATOM 70 CB SER A 128 14.775 1.255 -4.624 1.00 0.00 C ATOM 71 OG SER A 128 15.857 0.397 -4.918 1.00 0.00 O ATOM 0 H SER A 128 16.183 0.824 -1.966 1.00 0.00 H new ATOM 0 HA SER A 128 15.954 2.522 -3.380 1.00 0.00 H new ATOM 0 HB2 SER A 128 13.846 0.687 -4.578 1.00 0.00 H new ATOM 0 HB3 SER A 128 14.657 1.996 -5.415 1.00 0.00 H new ATOM 0 HG SER A 128 15.695 -0.052 -5.774 1.00 0.00 H new ATOM 77 N MET A 129 14.167 3.654 -1.838 1.00 0.00 N ATOM 78 CA MET A 129 13.257 4.671 -1.341 1.00 0.00 C ATOM 79 C MET A 129 14.005 5.974 -1.058 1.00 0.00 C ATOM 80 O MET A 129 15.235 5.980 -1.003 1.00 0.00 O ATOM 81 CB MET A 129 12.514 4.142 -0.119 1.00 0.00 C ATOM 82 CG MET A 129 13.289 4.398 1.171 1.00 0.00 C ATOM 83 SD MET A 129 14.901 3.580 1.307 1.00 0.00 S ATOM 84 CE MET A 129 14.350 1.875 1.571 1.00 0.00 C ATOM 0 H MET A 129 14.994 3.526 -1.254 1.00 0.00 H new ATOM 0 HA MET A 129 12.513 4.902 -2.104 1.00 0.00 H new ATOM 0 HB2 MET A 129 11.535 4.617 -0.055 1.00 0.00 H new ATOM 0 HB3 MET A 129 12.342 3.072 -0.233 1.00 0.00 H new ATOM 0 HG2 MET A 129 13.440 5.473 1.273 1.00 0.00 H new ATOM 0 HG3 MET A 129 12.671 4.081 2.011 1.00 0.00 H new ATOM 0 HE1 MET A 129 15.218 1.222 1.659 1.00 0.00 H new ATOM 0 HE2 MET A 129 13.760 1.821 2.486 1.00 0.00 H new ATOM 0 HE3 MET A 129 13.740 1.555 0.727 1.00 0.00 H new ATOM 94 N GLN A 130 13.283 7.082 -0.879 1.00 0.00 N ATOM 95 CA GLN A 130 13.904 8.385 -0.694 1.00 0.00 C ATOM 96 C GLN A 130 13.059 9.277 0.212 1.00 0.00 C ATOM 97 O GLN A 130 12.061 8.834 0.776 1.00 0.00 O ATOM 98 CB GLN A 130 14.092 9.067 -2.059 1.00 0.00 C ATOM 99 CG GLN A 130 14.960 8.232 -2.996 1.00 0.00 C ATOM 100 CD GLN A 130 15.269 8.981 -4.283 1.00 0.00 C ATOM 101 OE1 GLN A 130 15.932 10.013 -4.263 1.00 0.00 O ATOM 102 NE2 GLN A 130 14.790 8.473 -5.416 1.00 0.00 N ATOM 0 H GLN A 130 12.263 7.097 -0.859 1.00 0.00 H new ATOM 0 HA GLN A 130 14.873 8.235 -0.218 1.00 0.00 H new ATOM 0 HB2 GLN A 130 13.118 9.234 -2.519 1.00 0.00 H new ATOM 0 HB3 GLN A 130 14.549 10.046 -1.916 1.00 0.00 H new ATOM 0 HG2 GLN A 130 15.891 7.969 -2.494 1.00 0.00 H new ATOM 0 HG3 GLN A 130 14.450 7.298 -3.231 1.00 0.00 H new ATOM 0 HE21 GLN A 130 14.242 7.613 -5.398 1.00 0.00 H new ATOM 0 HE22 GLN A 130 14.971 8.944 -6.303 1.00 0.00 H new ATOM 111 N LYS A 131 13.476 10.544 0.334 1.00 0.00 N ATOM 112 CA LYS A 131 12.792 11.579 1.104 1.00 0.00 C ATOM 113 C LYS A 131 12.414 12.737 0.175 1.00 0.00 C ATOM 114 O LYS A 131 12.058 13.818 0.637 1.00 0.00 O ATOM 115 CB LYS A 131 13.715 12.060 2.227 1.00 0.00 C ATOM 116 CG LYS A 131 14.148 10.916 3.162 1.00 0.00 C ATOM 117 CD LYS A 131 12.983 10.328 3.959 1.00 0.00 C ATOM 118 CE LYS A 131 12.383 11.398 4.868 1.00 0.00 C ATOM 119 NZ LYS A 131 11.368 10.833 5.770 1.00 0.00 N ATOM 0 H LYS A 131 14.326 10.883 -0.117 1.00 0.00 H new ATOM 0 HA LYS A 131 11.880 11.179 1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 131 14.600 12.525 1.792 1.00 0.00 H new ATOM 0 HB3 LYS A 131 13.205 12.828 2.809 1.00 0.00 H new ATOM 0 HG2 LYS A 131 14.613 10.127 2.571 1.00 0.00 H new ATOM 0 HG3 LYS A 131 14.905 11.285 3.853 1.00 0.00 H new ATOM 0 HD2 LYS A 131 12.221 9.947 3.279 1.00 0.00 H new ATOM 0 HD3 LYS A 131 13.328 9.484 4.555 1.00 0.00 H new ATOM 0 HE2 LYS A 131 13.175 11.863 5.455 1.00 0.00 H new ATOM 0 HE3 LYS A 131 11.934 12.183 4.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 10.981 11.587 6.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 10.601 10.411 5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 11.803 10.101 6.367 1.00 0.00 H new ATOM 133 N ARG A 132 12.504 12.483 -1.135 1.00 0.00 N ATOM 134 CA ARG A 132 12.237 13.424 -2.219 1.00 0.00 C ATOM 135 C ARG A 132 11.581 12.658 -3.367 1.00 0.00 C ATOM 136 O ARG A 132 11.172 11.517 -3.181 1.00 0.00 O ATOM 137 CB ARG A 132 13.550 14.085 -2.656 1.00 0.00 C ATOM 138 CG ARG A 132 14.141 15.011 -1.587 1.00 0.00 C ATOM 139 CD ARG A 132 13.190 16.175 -1.291 1.00 0.00 C ATOM 140 NE ARG A 132 13.768 17.103 -0.310 1.00 0.00 N ATOM 141 CZ ARG A 132 13.123 18.172 0.154 1.00 0.00 C ATOM 142 NH1 ARG A 132 11.892 18.451 -0.261 1.00 0.00 N ATOM 143 NH2 ARG A 132 13.708 18.968 1.043 1.00 0.00 N ATOM 0 H ARG A 132 12.780 11.565 -1.482 1.00 0.00 H new ATOM 0 HA ARG A 132 11.562 14.215 -1.894 1.00 0.00 H new ATOM 0 HB2 ARG A 132 14.277 13.310 -2.899 1.00 0.00 H new ATOM 0 HB3 ARG A 132 13.376 14.657 -3.568 1.00 0.00 H new ATOM 0 HG2 ARG A 132 14.328 14.447 -0.673 1.00 0.00 H new ATOM 0 HG3 ARG A 132 15.102 15.398 -1.925 1.00 0.00 H new ATOM 0 HD2 ARG A 132 12.969 16.710 -2.214 1.00 0.00 H new ATOM 0 HD3 ARG A 132 12.244 15.787 -0.914 1.00 0.00 H new ATOM 0 HE ARG A 132 14.711 16.920 0.033 1.00 0.00 H new ATOM 0 HH11 ARG A 132 11.433 17.844 -0.940 1.00 0.00 H new ATOM 0 HH12 ARG A 132 11.406 19.272 0.100 1.00 0.00 H new ATOM 0 HH21 ARG A 132 14.651 18.760 1.370 1.00 0.00 H new ATOM 0 HH22 ARG A 132 13.214 19.786 1.398 1.00 0.00 H new ATOM 157 N ARG A 133 11.478 13.282 -4.547 1.00 0.00 N ATOM 158 CA ARG A 133 10.845 12.704 -5.728 1.00 0.00 C ATOM 159 C ARG A 133 11.330 11.290 -6.033 1.00 0.00 C ATOM 160 O ARG A 133 12.377 10.860 -5.541 1.00 0.00 O ATOM 161 CB ARG A 133 11.011 13.651 -6.923 1.00 0.00 C ATOM 162 CG ARG A 133 12.455 13.884 -7.378 1.00 0.00 C ATOM 163 CD ARG A 133 12.986 12.733 -8.236 1.00 0.00 C ATOM 164 NE ARG A 133 14.307 13.053 -8.780 1.00 0.00 N ATOM 165 CZ ARG A 133 14.959 12.266 -9.640 1.00 0.00 C ATOM 166 NH1 ARG A 133 14.436 11.114 -10.045 1.00 0.00 N ATOM 167 NH2 ARG A 133 16.151 12.625 -10.111 1.00 0.00 N ATOM 0 H ARG A 133 11.841 14.222 -4.706 1.00 0.00 H new ATOM 0 HA ARG A 133 9.781 12.597 -5.518 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.443 13.252 -7.763 1.00 0.00 H new ATOM 0 HB3 ARG A 133 10.568 14.614 -6.667 1.00 0.00 H new ATOM 0 HG2 ARG A 133 12.509 14.813 -7.946 1.00 0.00 H new ATOM 0 HG3 ARG A 133 13.094 14.007 -6.503 1.00 0.00 H new ATOM 0 HD2 ARG A 133 13.046 11.825 -7.636 1.00 0.00 H new ATOM 0 HD3 ARG A 133 12.291 12.532 -9.052 1.00 0.00 H new ATOM 0 HE ARG A 133 14.753 13.922 -8.487 1.00 0.00 H new ATOM 0 HH11 ARG A 133 13.523 10.819 -9.699 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.947 10.525 -10.702 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.572 13.506 -9.815 1.00 0.00 H new ATOM 0 HH22 ARG A 133 16.643 12.019 -10.767 1.00 0.00 H new ATOM 181 N SER A 134 10.566 10.563 -6.849 1.00 0.00 N ATOM 182 CA SER A 134 10.873 9.176 -7.195 1.00 0.00 C ATOM 183 C SER A 134 11.077 8.311 -5.947 1.00 0.00 C ATOM 184 O SER A 134 11.880 7.381 -5.966 1.00 0.00 O ATOM 185 CB SER A 134 12.086 9.116 -8.128 1.00 0.00 C ATOM 186 OG SER A 134 11.877 9.977 -9.230 1.00 0.00 O ATOM 0 H SER A 134 9.717 10.920 -7.288 1.00 0.00 H new ATOM 0 HA SER A 134 10.015 8.762 -7.725 1.00 0.00 H new ATOM 0 HB2 SER A 134 12.987 9.410 -7.590 1.00 0.00 H new ATOM 0 HB3 SER A 134 12.241 8.094 -8.475 1.00 0.00 H new ATOM 0 HG SER A 134 12.059 9.493 -10.062 1.00 0.00 H new ATOM 192 N LYS A 135 10.351 8.624 -4.867 1.00 0.00 N ATOM 193 CA LYS A 135 10.441 7.928 -3.587 1.00 0.00 C ATOM 194 C LYS A 135 10.191 6.419 -3.691 1.00 0.00 C ATOM 195 O LYS A 135 10.428 5.703 -2.719 1.00 0.00 O ATOM 196 CB LYS A 135 9.463 8.603 -2.618 1.00 0.00 C ATOM 197 CG LYS A 135 9.531 8.009 -1.214 1.00 0.00 C ATOM 198 CD LYS A 135 8.894 8.957 -0.196 1.00 0.00 C ATOM 199 CE LYS A 135 7.418 9.212 -0.491 1.00 0.00 C ATOM 200 NZ LYS A 135 6.601 7.998 -0.301 1.00 0.00 N ATOM 0 H LYS A 135 9.672 9.385 -4.863 1.00 0.00 H new ATOM 0 HA LYS A 135 11.463 8.008 -3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 135 9.682 9.670 -2.569 1.00 0.00 H new ATOM 0 HB3 LYS A 135 8.448 8.504 -3.003 1.00 0.00 H new ATOM 0 HG2 LYS A 135 9.017 7.048 -1.195 1.00 0.00 H new ATOM 0 HG3 LYS A 135 10.570 7.821 -0.943 1.00 0.00 H new ATOM 0 HD2 LYS A 135 8.995 8.535 0.804 1.00 0.00 H new ATOM 0 HD3 LYS A 135 9.432 9.905 -0.198 1.00 0.00 H new ATOM 0 HE2 LYS A 135 7.049 10.004 0.161 1.00 0.00 H new ATOM 0 HE3 LYS A 135 7.309 9.566 -1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 5.601 8.221 -0.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 6.914 7.261 -0.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 6.711 7.654 0.674 1.00 0.00 H new ATOM 214 N GLY A 136 9.720 5.935 -4.840 1.00 0.00 N ATOM 215 CA GLY A 136 9.478 4.510 -5.037 1.00 0.00 C ATOM 216 C GLY A 136 7.992 4.194 -4.933 1.00 0.00 C ATOM 217 O GLY A 136 7.604 3.030 -4.920 1.00 0.00 O ATOM 0 H GLY A 136 9.498 6.513 -5.650 1.00 0.00 H new ATOM 0 HA2 GLY A 136 9.852 4.205 -6.014 1.00 0.00 H new ATOM 0 HA3 GLY A 136 10.029 3.937 -4.292 1.00 0.00 H new ATOM 221 N ASP A 137 7.161 5.232 -4.859 1.00 0.00 N ATOM 222 CA ASP A 137 5.722 5.082 -4.745 1.00 0.00 C ATOM 223 C ASP A 137 5.123 4.490 -6.021 1.00 0.00 C ATOM 224 O ASP A 137 5.822 4.291 -7.017 1.00 0.00 O ATOM 225 CB ASP A 137 5.108 6.448 -4.437 1.00 0.00 C ATOM 226 CG ASP A 137 5.591 6.990 -3.097 1.00 0.00 C ATOM 227 OD1 ASP A 137 5.636 6.196 -2.134 1.00 0.00 O ATOM 228 OD2 ASP A 137 5.910 8.197 -3.045 1.00 0.00 O ATOM 0 H ASP A 137 7.474 6.203 -4.877 1.00 0.00 H new ATOM 0 HA ASP A 137 5.496 4.388 -3.935 1.00 0.00 H new ATOM 0 HB2 ASP A 137 5.366 7.151 -5.229 1.00 0.00 H new ATOM 0 HB3 ASP A 137 4.021 6.365 -4.426 1.00 0.00 H new ATOM 233 N ARG A 138 3.817 4.211 -5.988 1.00 0.00 N ATOM 234 CA ARG A 138 3.094 3.623 -7.106 1.00 0.00 C ATOM 235 C ARG A 138 1.674 4.183 -7.166 1.00 0.00 C ATOM 236 O ARG A 138 1.270 4.925 -6.269 1.00 0.00 O ATOM 237 CB ARG A 138 3.040 2.106 -6.910 1.00 0.00 C ATOM 238 CG ARG A 138 4.408 1.434 -7.063 1.00 0.00 C ATOM 239 CD ARG A 138 4.188 -0.071 -7.003 1.00 0.00 C ATOM 240 NE ARG A 138 5.442 -0.821 -6.924 1.00 0.00 N ATOM 241 CZ ARG A 138 5.500 -2.148 -7.074 1.00 0.00 C ATOM 242 NH1 ARG A 138 4.394 -2.860 -7.283 1.00 0.00 N ATOM 243 NH2 ARG A 138 6.669 -2.770 -7.013 1.00 0.00 N ATOM 0 H ARG A 138 3.231 4.391 -5.173 1.00 0.00 H new ATOM 0 HA ARG A 138 3.604 3.863 -8.039 1.00 0.00 H new ATOM 0 HB2 ARG A 138 2.643 1.887 -5.919 1.00 0.00 H new ATOM 0 HB3 ARG A 138 2.347 1.676 -7.633 1.00 0.00 H new ATOM 0 HG2 ARG A 138 4.870 1.716 -8.009 1.00 0.00 H new ATOM 0 HG3 ARG A 138 5.083 1.755 -6.270 1.00 0.00 H new ATOM 0 HD2 ARG A 138 3.571 -0.310 -6.137 1.00 0.00 H new ATOM 0 HD3 ARG A 138 3.634 -0.389 -7.886 1.00 0.00 H new ATOM 0 HE ARG A 138 6.307 -0.310 -6.747 1.00 0.00 H new ATOM 0 HH11 ARG A 138 3.488 -2.393 -7.330 1.00 0.00 H new ATOM 0 HH12 ARG A 138 4.453 -3.872 -7.396 1.00 0.00 H new ATOM 0 HH21 ARG A 138 7.523 -2.236 -6.852 1.00 0.00 H new ATOM 0 HH22 ARG A 138 6.715 -3.783 -7.127 1.00 0.00 H new ATOM 257 N CYS A 139 0.927 3.828 -8.213 1.00 0.00 N ATOM 258 CA CYS A 139 -0.481 4.146 -8.378 1.00 0.00 C ATOM 259 C CYS A 139 -1.202 3.968 -7.042 1.00 0.00 C ATOM 260 O CYS A 139 -1.250 2.867 -6.494 1.00 0.00 O ATOM 261 CB CYS A 139 -1.054 3.254 -9.488 1.00 0.00 C ATOM 262 SG CYS A 139 -2.864 3.182 -9.401 1.00 0.00 S ATOM 0 H CYS A 139 1.305 3.292 -8.994 1.00 0.00 H new ATOM 0 HA CYS A 139 -0.622 5.185 -8.678 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -0.749 3.638 -10.461 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -0.643 2.249 -9.399 1.00 0.00 H new ATOM 267 N TYR A 140 -1.756 5.068 -6.536 1.00 0.00 N ATOM 268 CA TYR A 140 -2.449 5.098 -5.258 1.00 0.00 C ATOM 269 C TYR A 140 -3.811 4.415 -5.325 1.00 0.00 C ATOM 270 O TYR A 140 -4.582 4.485 -4.367 1.00 0.00 O ATOM 271 CB TYR A 140 -2.571 6.552 -4.790 1.00 0.00 C ATOM 272 CG TYR A 140 -1.243 7.121 -4.345 1.00 0.00 C ATOM 273 CD1 TYR A 140 -0.480 6.438 -3.383 1.00 0.00 C ATOM 274 CD2 TYR A 140 -0.764 8.322 -4.889 1.00 0.00 C ATOM 275 CE1 TYR A 140 0.774 6.929 -2.996 1.00 0.00 C ATOM 276 CE2 TYR A 140 0.487 8.820 -4.513 1.00 0.00 C ATOM 277 CZ TYR A 140 1.265 8.119 -3.568 1.00 0.00 C ATOM 278 OH TYR A 140 2.491 8.595 -3.203 1.00 0.00 O ATOM 0 H TYR A 140 -1.734 5.971 -7.010 1.00 0.00 H new ATOM 0 HA TYR A 140 -1.865 4.533 -4.532 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -2.972 7.161 -5.601 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -3.283 6.609 -3.967 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -0.862 5.530 -2.940 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -1.365 8.865 -5.603 1.00 0.00 H new ATOM 0 HE1 TYR A 140 1.362 6.397 -2.262 1.00 0.00 H new ATOM 0 HE2 TYR A 140 0.857 9.738 -4.945 1.00 0.00 H new ATOM 0 HH TYR A 140 2.379 9.391 -2.642 1.00 0.00 H new ATOM 288 N ASN A 141 -4.114 3.749 -6.443 1.00 0.00 N ATOM 289 CA ASN A 141 -5.382 3.074 -6.610 1.00 0.00 C ATOM 290 C ASN A 141 -5.202 1.567 -6.797 1.00 0.00 C ATOM 291 O ASN A 141 -6.099 0.818 -6.425 1.00 0.00 O ATOM 292 CB ASN A 141 -6.114 3.710 -7.792 1.00 0.00 C ATOM 293 CG ASN A 141 -7.516 3.163 -7.969 1.00 0.00 C ATOM 294 OD1 ASN A 141 -8.487 3.786 -7.554 1.00 0.00 O ATOM 295 ND2 ASN A 141 -7.640 1.997 -8.587 1.00 0.00 N ATOM 0 H ASN A 141 -3.487 3.669 -7.244 1.00 0.00 H new ATOM 0 HA ASN A 141 -5.980 3.193 -5.706 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -6.164 4.789 -7.646 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.543 3.538 -8.704 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -8.565 1.591 -8.730 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -6.811 1.505 -8.920 1.00 0.00 H new ATOM 302 N CYS A 142 -4.077 1.108 -7.367 1.00 0.00 N ATOM 303 CA CYS A 142 -3.846 -0.316 -7.548 1.00 0.00 C ATOM 304 C CYS A 142 -2.538 -0.765 -6.908 1.00 0.00 C ATOM 305 O CYS A 142 -2.483 -1.795 -6.242 1.00 0.00 O ATOM 306 CB CYS A 142 -3.914 -0.648 -9.034 1.00 0.00 C ATOM 307 SG CYS A 142 -2.407 -0.151 -9.886 1.00 0.00 S ATOM 0 H CYS A 142 -3.323 1.706 -7.706 1.00 0.00 H new ATOM 0 HA CYS A 142 -4.628 -0.874 -7.034 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -4.071 -1.719 -9.163 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -4.771 -0.145 -9.482 1.00 0.00 H new ATOM 312 N GLY A 143 -1.483 0.025 -7.127 1.00 0.00 N ATOM 313 CA GLY A 143 -0.152 -0.317 -6.669 1.00 0.00 C ATOM 314 C GLY A 143 0.752 -0.666 -7.853 1.00 0.00 C ATOM 315 O GLY A 143 1.696 -1.441 -7.697 1.00 0.00 O ATOM 0 H GLY A 143 -1.537 0.913 -7.625 1.00 0.00 H new ATOM 0 HA2 GLY A 143 0.273 0.519 -6.114 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -0.204 -1.162 -5.983 1.00 0.00 H new ATOM 319 N GLY A 144 0.477 -0.104 -9.033 1.00 0.00 N ATOM 320 CA GLY A 144 1.287 -0.304 -10.229 1.00 0.00 C ATOM 321 C GLY A 144 2.153 0.920 -10.510 1.00 0.00 C ATOM 322 O GLY A 144 1.938 1.973 -9.925 1.00 0.00 O ATOM 0 H GLY A 144 -0.324 0.509 -9.182 1.00 0.00 H new ATOM 0 HA2 GLY A 144 1.921 -1.182 -10.101 1.00 0.00 H new ATOM 0 HA3 GLY A 144 0.639 -0.500 -11.083 1.00 0.00 H new ATOM 326 N LEU A 145 3.143 0.802 -11.398 1.00 0.00 N ATOM 327 CA LEU A 145 4.151 1.841 -11.561 1.00 0.00 C ATOM 328 C LEU A 145 4.126 2.466 -12.948 1.00 0.00 C ATOM 329 O LEU A 145 4.497 3.630 -13.109 1.00 0.00 O ATOM 330 CB LEU A 145 5.557 1.298 -11.280 1.00 0.00 C ATOM 331 CG LEU A 145 5.700 -0.220 -11.422 1.00 0.00 C ATOM 332 CD1 LEU A 145 7.173 -0.559 -11.541 1.00 0.00 C ATOM 333 CD2 LEU A 145 5.200 -0.921 -10.166 1.00 0.00 C ATOM 0 H LEU A 145 3.264 -0.003 -12.012 1.00 0.00 H new ATOM 0 HA LEU A 145 3.905 2.615 -10.834 1.00 0.00 H new ATOM 0 HB2 LEU A 145 6.260 1.780 -11.960 1.00 0.00 H new ATOM 0 HB3 LEU A 145 5.846 1.583 -10.268 1.00 0.00 H new ATOM 0 HG LEU A 145 5.129 -0.539 -12.294 1.00 0.00 H new ATOM 0 HD11 LEU A 145 7.291 -1.638 -11.643 1.00 0.00 H new ATOM 0 HD12 LEU A 145 7.591 -0.064 -12.418 1.00 0.00 H new ATOM 0 HD13 LEU A 145 7.698 -0.219 -10.648 1.00 0.00 H new ATOM 0 HD21 LEU A 145 5.309 -1.999 -10.283 1.00 0.00 H new ATOM 0 HD22 LEU A 145 5.783 -0.589 -9.307 1.00 0.00 H new ATOM 0 HD23 LEU A 145 4.150 -0.677 -10.007 1.00 0.00 H new ATOM 345 N ASP A 146 3.693 1.700 -13.949 1.00 0.00 N ATOM 346 CA ASP A 146 3.645 2.165 -15.328 1.00 0.00 C ATOM 347 C ASP A 146 2.552 3.225 -15.518 1.00 0.00 C ATOM 348 O ASP A 146 2.379 3.763 -16.610 1.00 0.00 O ATOM 349 CB ASP A 146 3.409 0.933 -16.203 1.00 0.00 C ATOM 350 CG ASP A 146 3.290 1.284 -17.679 1.00 0.00 C ATOM 351 OD1 ASP A 146 4.284 1.814 -18.227 1.00 0.00 O ATOM 352 OD2 ASP A 146 2.207 1.017 -18.248 1.00 0.00 O ATOM 0 H ASP A 146 3.367 0.742 -13.823 1.00 0.00 H new ATOM 0 HA ASP A 146 4.579 2.651 -15.609 1.00 0.00 H new ATOM 0 HB2 ASP A 146 4.230 0.230 -16.065 1.00 0.00 H new ATOM 0 HB3 ASP A 146 2.499 0.429 -15.878 1.00 0.00 H new ATOM 357 N HIS A 147 1.817 3.530 -14.445 1.00 0.00 N ATOM 358 CA HIS A 147 0.712 4.472 -14.474 1.00 0.00 C ATOM 359 C HIS A 147 0.505 5.072 -13.084 1.00 0.00 C ATOM 360 O HIS A 147 1.306 4.846 -12.175 1.00 0.00 O ATOM 361 CB HIS A 147 -0.544 3.733 -14.933 1.00 0.00 C ATOM 362 CG HIS A 147 -0.970 2.655 -13.969 1.00 0.00 C ATOM 363 ND1 HIS A 147 -0.459 1.380 -13.872 1.00 0.00 N ATOM 364 CD2 HIS A 147 -1.940 2.770 -13.018 1.00 0.00 C ATOM 365 CE1 HIS A 147 -1.107 0.752 -12.871 1.00 0.00 C ATOM 366 NE2 HIS A 147 -2.032 1.561 -12.323 1.00 0.00 N ATOM 0 H HIS A 147 1.980 3.121 -13.525 1.00 0.00 H new ATOM 0 HA HIS A 147 0.928 5.286 -15.166 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -1.357 4.448 -15.054 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -0.362 3.288 -15.911 1.00 0.00 H new ATOM 0 HD1 HIS A 147 0.278 0.982 -14.454 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -2.538 3.650 -12.832 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -0.911 -0.261 -12.553 1.00 0.00 H new ATOM 374 N HIS A 148 -0.576 5.837 -12.914 1.00 0.00 N ATOM 375 CA HIS A 148 -0.928 6.468 -11.645 1.00 0.00 C ATOM 376 C HIS A 148 -2.410 6.267 -11.358 1.00 0.00 C ATOM 377 O HIS A 148 -3.148 5.785 -12.215 1.00 0.00 O ATOM 378 CB HIS A 148 -0.574 7.958 -11.711 1.00 0.00 C ATOM 379 CG HIS A 148 0.909 8.215 -11.705 1.00 0.00 C ATOM 380 ND1 HIS A 148 1.596 9.023 -12.616 1.00 0.00 N ATOM 381 CD2 HIS A 148 1.797 7.710 -10.802 1.00 0.00 C ATOM 382 CE1 HIS A 148 2.883 8.969 -12.240 1.00 0.00 C ATOM 383 NE2 HIS A 148 3.034 8.192 -11.153 1.00 0.00 N ATOM 0 H HIS A 148 -1.238 6.036 -13.664 1.00 0.00 H new ATOM 0 HA HIS A 148 -0.365 6.010 -10.832 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -1.007 8.388 -12.614 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -1.029 8.471 -10.864 1.00 0.00 H new ATOM 0 HD2 HIS A 148 1.571 7.057 -9.972 1.00 0.00 H new ATOM 0 HE1 HIS A 148 3.690 9.481 -12.743 1.00 0.00 H new ATOM 0 HE2 HIS A 148 3.913 7.995 -10.674 1.00 0.00 H new ATOM 391 N ALA A 149 -2.858 6.628 -10.153 1.00 0.00 N ATOM 392 CA ALA A 149 -4.219 6.366 -9.704 1.00 0.00 C ATOM 393 C ALA A 149 -5.268 6.987 -10.624 1.00 0.00 C ATOM 394 O ALA A 149 -6.386 6.485 -10.717 1.00 0.00 O ATOM 395 CB ALA A 149 -4.386 6.910 -8.286 1.00 0.00 C ATOM 0 H ALA A 149 -2.282 7.111 -9.463 1.00 0.00 H new ATOM 0 HA ALA A 149 -4.377 5.288 -9.724 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -5.402 6.719 -7.940 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -3.677 6.416 -7.621 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -4.198 7.984 -8.284 1.00 0.00 H new ATOM 401 N LYS A 150 -4.911 8.079 -11.303 1.00 0.00 N ATOM 402 CA LYS A 150 -5.789 8.784 -12.223 1.00 0.00 C ATOM 403 C LYS A 150 -5.833 8.123 -13.593 1.00 0.00 C ATOM 404 O LYS A 150 -6.672 8.471 -14.416 1.00 0.00 O ATOM 405 CB LYS A 150 -5.297 10.221 -12.366 1.00 0.00 C ATOM 406 CG LYS A 150 -3.848 10.283 -12.862 1.00 0.00 C ATOM 407 CD LYS A 150 -3.229 11.636 -12.525 1.00 0.00 C ATOM 408 CE LYS A 150 -3.056 11.737 -11.012 1.00 0.00 C ATOM 409 NZ LYS A 150 -2.552 13.068 -10.626 1.00 0.00 N ATOM 0 H LYS A 150 -3.986 8.501 -11.224 1.00 0.00 H new ATOM 0 HA LYS A 150 -6.800 8.758 -11.816 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -5.942 10.758 -13.062 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.373 10.728 -11.404 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -3.265 9.485 -12.403 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -3.818 10.120 -13.939 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.265 11.744 -13.023 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.867 12.443 -12.886 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -4.010 11.549 -10.520 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -2.363 10.968 -10.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -2.817 13.267 -9.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -1.516 13.087 -10.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -2.967 13.790 -11.248 1.00 0.00 H new ATOM 423 N GLU A 151 -4.928 7.178 -13.818 1.00 0.00 N ATOM 424 CA GLU A 151 -4.872 6.393 -15.044 1.00 0.00 C ATOM 425 C GLU A 151 -5.236 4.929 -14.808 1.00 0.00 C ATOM 426 O GLU A 151 -5.299 4.148 -15.755 1.00 0.00 O ATOM 427 CB GLU A 151 -3.457 6.441 -15.616 1.00 0.00 C ATOM 428 CG GLU A 151 -2.881 7.852 -15.622 1.00 0.00 C ATOM 429 CD GLU A 151 -1.564 7.891 -16.381 1.00 0.00 C ATOM 430 OE1 GLU A 151 -1.615 7.754 -17.625 1.00 0.00 O ATOM 431 OE2 GLU A 151 -0.518 8.058 -15.716 1.00 0.00 O ATOM 0 H GLU A 151 -4.203 6.932 -13.144 1.00 0.00 H new ATOM 0 HA GLU A 151 -5.595 6.825 -15.736 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -2.809 5.789 -15.030 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -3.466 6.051 -16.634 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -3.592 8.539 -16.082 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -2.727 8.192 -14.598 1.00 0.00 H new ATOM 438 N CYS A 152 -5.472 4.566 -13.546 1.00 0.00 N ATOM 439 CA CYS A 152 -5.805 3.208 -13.143 1.00 0.00 C ATOM 440 C CYS A 152 -7.089 2.726 -13.813 1.00 0.00 C ATOM 441 O CYS A 152 -7.860 3.523 -14.349 1.00 0.00 O ATOM 442 CB CYS A 152 -5.877 3.136 -11.625 1.00 0.00 C ATOM 443 SG CYS A 152 -5.402 1.461 -11.143 1.00 0.00 S ATOM 0 H CYS A 152 -5.435 5.222 -12.766 1.00 0.00 H new ATOM 0 HA CYS A 152 -5.020 2.530 -13.478 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -5.209 3.870 -11.173 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -6.884 3.365 -11.277 1.00 0.00 H new ATOM 448 N LYS A 153 -7.325 1.412 -13.785 1.00 0.00 N ATOM 449 CA LYS A 153 -8.438 0.793 -14.490 1.00 0.00 C ATOM 450 C LYS A 153 -9.235 -0.188 -13.630 1.00 0.00 C ATOM 451 O LYS A 153 -10.162 -0.829 -14.121 1.00 0.00 O ATOM 452 CB LYS A 153 -7.937 0.136 -15.776 1.00 0.00 C ATOM 453 CG LYS A 153 -6.609 -0.605 -15.604 1.00 0.00 C ATOM 454 CD LYS A 153 -6.722 -1.831 -14.700 1.00 0.00 C ATOM 455 CE LYS A 153 -7.618 -2.885 -15.342 1.00 0.00 C ATOM 456 NZ LYS A 153 -7.003 -3.464 -16.549 1.00 0.00 N ATOM 0 H LYS A 153 -6.745 0.750 -13.270 1.00 0.00 H new ATOM 0 HA LYS A 153 -9.140 1.588 -14.743 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -8.691 -0.564 -16.135 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -7.821 0.901 -16.544 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -6.243 -0.915 -16.583 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -5.869 0.079 -15.189 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -5.732 -2.249 -14.518 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -7.129 -1.540 -13.731 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -7.821 -3.677 -14.622 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -8.577 -2.437 -15.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -7.516 -4.327 -16.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -7.049 -2.775 -17.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -6.009 -3.700 -16.353 1.00 0.00 H new ATOM 470 N LEU A 154 -8.878 -0.308 -12.355 1.00 0.00 N ATOM 471 CA LEU A 154 -9.609 -1.125 -11.394 1.00 0.00 C ATOM 472 C LEU A 154 -10.131 -0.234 -10.261 1.00 0.00 C ATOM 473 O LEU A 154 -9.694 0.909 -10.143 1.00 0.00 O ATOM 474 CB LEU A 154 -8.726 -2.303 -10.938 1.00 0.00 C ATOM 475 CG LEU A 154 -7.286 -1.924 -10.632 1.00 0.00 C ATOM 476 CD1 LEU A 154 -7.286 -1.076 -9.379 1.00 0.00 C ATOM 477 CD2 LEU A 154 -6.457 -3.173 -10.377 1.00 0.00 C ATOM 0 H LEU A 154 -8.066 0.164 -11.957 1.00 0.00 H new ATOM 0 HA LEU A 154 -10.491 -1.579 -11.846 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -9.169 -2.750 -10.048 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -8.731 -3.067 -11.715 1.00 0.00 H new ATOM 0 HG LEU A 154 -6.859 -1.382 -11.476 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -6.264 -0.788 -9.134 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -7.885 -0.181 -9.546 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -7.710 -1.647 -8.553 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -5.428 -2.888 -10.159 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -6.871 -3.717 -9.528 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -6.478 -3.810 -11.261 1.00 0.00 H new ATOM 489 N PRO A 155 -11.056 -0.725 -9.423 1.00 0.00 N ATOM 490 CA PRO A 155 -11.597 0.033 -8.306 1.00 0.00 C ATOM 491 C PRO A 155 -10.504 0.268 -7.258 1.00 0.00 C ATOM 492 O PRO A 155 -9.450 -0.364 -7.327 1.00 0.00 O ATOM 493 CB PRO A 155 -12.747 -0.811 -7.765 1.00 0.00 C ATOM 494 CG PRO A 155 -12.382 -2.234 -8.176 1.00 0.00 C ATOM 495 CD PRO A 155 -11.638 -2.043 -9.497 1.00 0.00 C ATOM 0 HA PRO A 155 -11.953 1.022 -8.596 1.00 0.00 H new ATOM 0 HB2 PRO A 155 -12.836 -0.718 -6.683 1.00 0.00 H new ATOM 0 HB3 PRO A 155 -13.702 -0.505 -8.191 1.00 0.00 H new ATOM 0 HG2 PRO A 155 -11.755 -2.719 -7.428 1.00 0.00 H new ATOM 0 HG3 PRO A 155 -13.268 -2.856 -8.301 1.00 0.00 H new ATOM 0 HD2 PRO A 155 -10.870 -2.805 -9.629 1.00 0.00 H new ATOM 0 HD3 PRO A 155 -12.317 -2.125 -10.346 1.00 0.00 H new ATOM 503 N PRO A 156 -10.717 1.165 -6.284 1.00 0.00 N ATOM 504 CA PRO A 156 -9.676 1.572 -5.354 1.00 0.00 C ATOM 505 C PRO A 156 -9.237 0.416 -4.458 1.00 0.00 C ATOM 506 O PRO A 156 -9.934 0.045 -3.513 1.00 0.00 O ATOM 507 CB PRO A 156 -10.265 2.732 -4.554 1.00 0.00 C ATOM 508 CG PRO A 156 -11.775 2.509 -4.648 1.00 0.00 C ATOM 509 CD PRO A 156 -11.959 1.868 -6.023 1.00 0.00 C ATOM 0 HA PRO A 156 -8.771 1.880 -5.878 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -9.922 2.719 -3.519 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -9.976 3.695 -4.974 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -12.134 1.858 -3.851 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -12.325 3.447 -4.566 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -12.807 1.184 -6.028 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -12.153 2.622 -6.786 1.00 0.00 H new ATOM 517 N GLN A 157 -8.073 -0.152 -4.772 1.00 0.00 N ATOM 518 CA GLN A 157 -7.471 -1.242 -4.022 1.00 0.00 C ATOM 519 C GLN A 157 -6.787 -0.711 -2.768 1.00 0.00 C ATOM 520 O GLN A 157 -6.483 0.479 -2.679 1.00 0.00 O ATOM 521 CB GLN A 157 -6.387 -1.917 -4.870 1.00 0.00 C ATOM 522 CG GLN A 157 -6.904 -2.345 -6.230 1.00 0.00 C ATOM 523 CD GLN A 157 -8.035 -3.357 -6.129 1.00 0.00 C ATOM 524 OE1 GLN A 157 -7.960 -4.330 -5.383 1.00 0.00 O ATOM 525 NE2 GLN A 157 -9.098 -3.129 -6.890 1.00 0.00 N ATOM 0 H GLN A 157 -7.514 0.143 -5.573 1.00 0.00 H new ATOM 0 HA GLN A 157 -8.262 -1.944 -3.759 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -5.551 -1.230 -5.001 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -6.003 -2.788 -4.339 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -7.253 -1.468 -6.775 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -6.086 -2.775 -6.808 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -9.124 -2.310 -7.497 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -9.889 -3.773 -6.868 1.00 0.00 H new ATOM 534 N PRO A 158 -6.542 -1.594 -1.795 1.00 0.00 N ATOM 535 CA PRO A 158 -5.696 -1.298 -0.668 1.00 0.00 C ATOM 536 C PRO A 158 -4.256 -1.409 -1.153 1.00 0.00 C ATOM 537 O PRO A 158 -3.840 -2.442 -1.676 1.00 0.00 O ATOM 538 CB PRO A 158 -6.038 -2.355 0.368 1.00 0.00 C ATOM 539 CG PRO A 158 -6.438 -3.567 -0.475 1.00 0.00 C ATOM 540 CD PRO A 158 -7.049 -2.950 -1.736 1.00 0.00 C ATOM 0 HA PRO A 158 -5.831 -0.304 -0.241 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -5.186 -2.577 1.011 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -6.852 -2.032 1.017 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -5.576 -4.191 -0.712 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -7.155 -4.199 0.049 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -6.764 -3.513 -2.625 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -8.138 -2.959 -1.688 1.00 0.00 H new ATOM 548 N LYS A 159 -3.496 -0.333 -0.978 1.00 0.00 N ATOM 549 CA LYS A 159 -2.172 -0.200 -1.573 1.00 0.00 C ATOM 550 C LYS A 159 -1.053 -0.950 -0.854 1.00 0.00 C ATOM 551 O LYS A 159 0.092 -0.865 -1.295 1.00 0.00 O ATOM 552 CB LYS A 159 -1.861 1.272 -1.812 1.00 0.00 C ATOM 553 CG LYS A 159 -1.922 2.049 -0.515 1.00 0.00 C ATOM 554 CD LYS A 159 -1.539 3.496 -0.795 1.00 0.00 C ATOM 555 CE LYS A 159 -1.028 4.024 0.530 1.00 0.00 C ATOM 556 NZ LYS A 159 -2.117 4.200 1.506 1.00 0.00 N ATOM 0 H LYS A 159 -3.781 0.471 -0.419 1.00 0.00 H new ATOM 0 HA LYS A 159 -2.210 -0.711 -2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -0.870 1.372 -2.255 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -2.573 1.688 -2.525 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -2.925 1.999 -0.091 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -1.244 1.614 0.219 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -0.773 3.560 -1.568 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -2.396 4.071 -1.146 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -0.286 3.335 0.934 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -0.525 4.978 0.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -1.782 3.929 2.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -2.416 5.196 1.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -2.923 3.600 1.239 1.00 0.00 H new ATOM 570 N LYS A 160 -1.378 -1.671 0.222 1.00 0.00 N ATOM 571 CA LYS A 160 -0.482 -2.492 1.019 1.00 0.00 C ATOM 572 C LYS A 160 0.816 -1.807 1.451 1.00 0.00 C ATOM 573 O LYS A 160 1.153 -0.701 1.027 1.00 0.00 O ATOM 574 CB LYS A 160 -0.165 -3.764 0.250 1.00 0.00 C ATOM 575 CG LYS A 160 -1.402 -4.598 -0.090 1.00 0.00 C ATOM 576 CD LYS A 160 -1.094 -5.552 -1.240 1.00 0.00 C ATOM 577 CE LYS A 160 -2.219 -5.455 -2.267 1.00 0.00 C ATOM 578 NZ LYS A 160 -1.893 -6.219 -3.483 1.00 0.00 N ATOM 0 H LYS A 160 -2.334 -1.694 0.576 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.012 -2.703 1.948 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.351 -3.501 -0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.523 -4.372 0.838 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -1.720 -5.163 0.786 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.228 -3.942 -0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -0.139 -5.295 -1.699 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -1.006 -6.574 -0.871 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -3.145 -5.833 -1.834 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -2.391 -4.410 -2.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -2.674 -6.136 -4.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -1.022 -5.841 -3.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -1.753 -7.220 -3.237 1.00 0.00 H new ATOM 592 N CYS A 161 1.555 -2.496 2.320 1.00 0.00 N ATOM 593 CA CYS A 161 2.881 -2.090 2.753 1.00 0.00 C ATOM 594 C CYS A 161 3.895 -2.439 1.664 1.00 0.00 C ATOM 595 O CYS A 161 3.943 -3.577 1.198 1.00 0.00 O ATOM 596 CB CYS A 161 3.165 -2.840 4.055 1.00 0.00 C ATOM 597 SG CYS A 161 4.860 -2.604 4.627 1.00 0.00 S ATOM 0 H CYS A 161 1.239 -3.366 2.747 1.00 0.00 H new ATOM 0 HA CYS A 161 2.949 -1.016 2.924 1.00 0.00 H new ATOM 0 HB2 CYS A 161 2.473 -2.500 4.826 1.00 0.00 H new ATOM 0 HB3 CYS A 161 2.979 -3.904 3.907 1.00 0.00 H new ATOM 602 N HIS A 162 4.724 -1.479 1.249 1.00 0.00 N ATOM 603 CA HIS A 162 5.783 -1.696 0.270 1.00 0.00 C ATOM 604 C HIS A 162 6.896 -2.574 0.842 1.00 0.00 C ATOM 605 O HIS A 162 7.982 -2.642 0.268 1.00 0.00 O ATOM 606 CB HIS A 162 6.350 -0.344 -0.187 1.00 0.00 C ATOM 607 CG HIS A 162 5.492 0.364 -1.200 1.00 0.00 C ATOM 608 ND1 HIS A 162 4.640 -0.260 -2.115 1.00 0.00 N ATOM 609 CD2 HIS A 162 5.437 1.715 -1.386 1.00 0.00 C ATOM 610 CE1 HIS A 162 4.095 0.736 -2.832 1.00 0.00 C ATOM 611 NE2 HIS A 162 4.550 1.930 -2.416 1.00 0.00 N ATOM 0 H HIS A 162 4.676 -0.519 1.589 1.00 0.00 H new ATOM 0 HA HIS A 162 5.357 -2.217 -0.587 1.00 0.00 H new ATOM 0 HB2 HIS A 162 6.474 0.300 0.684 1.00 0.00 H new ATOM 0 HB3 HIS A 162 7.342 -0.501 -0.611 1.00 0.00 H new ATOM 0 HD2 HIS A 162 5.982 2.467 -0.834 1.00 0.00 H new ATOM 0 HE1 HIS A 162 3.386 0.596 -3.635 1.00 0.00 H new ATOM 0 HE2 HIS A 162 4.284 2.838 -2.797 1.00 0.00 H new ATOM 619 N PHE A 163 6.654 -3.253 1.961 1.00 0.00 N ATOM 620 CA PHE A 163 7.696 -3.981 2.660 1.00 0.00 C ATOM 621 C PHE A 163 7.273 -5.401 3.004 1.00 0.00 C ATOM 622 O PHE A 163 8.069 -6.328 2.887 1.00 0.00 O ATOM 623 CB PHE A 163 7.973 -3.197 3.932 1.00 0.00 C ATOM 624 CG PHE A 163 9.355 -3.359 4.500 1.00 0.00 C ATOM 625 CD1 PHE A 163 9.661 -4.494 5.263 1.00 0.00 C ATOM 626 CD2 PHE A 163 10.323 -2.376 4.264 1.00 0.00 C ATOM 627 CE1 PHE A 163 10.958 -4.645 5.778 1.00 0.00 C ATOM 628 CE2 PHE A 163 11.612 -2.529 4.785 1.00 0.00 C ATOM 629 CZ PHE A 163 11.931 -3.667 5.534 1.00 0.00 C ATOM 0 H PHE A 163 5.736 -3.311 2.401 1.00 0.00 H new ATOM 0 HA PHE A 163 8.580 -4.072 2.029 1.00 0.00 H new ATOM 0 HB2 PHE A 163 7.803 -2.139 3.731 1.00 0.00 H new ATOM 0 HB3 PHE A 163 7.249 -3.498 4.689 1.00 0.00 H new ATOM 0 HD1 PHE A 163 8.907 -5.244 5.453 1.00 0.00 H new ATOM 0 HD2 PHE A 163 10.075 -1.501 3.681 1.00 0.00 H new ATOM 0 HE1 PHE A 163 11.207 -5.518 6.364 1.00 0.00 H new ATOM 0 HE2 PHE A 163 12.360 -1.770 4.609 1.00 0.00 H new ATOM 0 HZ PHE A 163 12.930 -3.792 5.925 1.00 0.00 H new ATOM 639 N CYS A 164 6.017 -5.561 3.422 1.00 0.00 N ATOM 640 CA CYS A 164 5.465 -6.858 3.789 1.00 0.00 C ATOM 641 C CYS A 164 4.107 -7.098 3.127 1.00 0.00 C ATOM 642 O CYS A 164 3.436 -8.095 3.399 1.00 0.00 O ATOM 643 CB CYS A 164 5.334 -6.876 5.303 1.00 0.00 C ATOM 644 SG CYS A 164 4.090 -5.660 5.758 1.00 0.00 S ATOM 0 H CYS A 164 5.355 -4.791 3.515 1.00 0.00 H new ATOM 0 HA CYS A 164 6.123 -7.656 3.445 1.00 0.00 H new ATOM 0 HB2 CYS A 164 5.044 -7.868 5.650 1.00 0.00 H new ATOM 0 HB3 CYS A 164 6.289 -6.640 5.772 1.00 0.00 H new ATOM 649 N GLN A 165 3.709 -6.170 2.259 1.00 0.00 N ATOM 650 CA GLN A 165 2.436 -6.158 1.548 1.00 0.00 C ATOM 651 C GLN A 165 1.235 -6.265 2.494 1.00 0.00 C ATOM 652 O GLN A 165 0.157 -6.704 2.090 1.00 0.00 O ATOM 653 CB GLN A 165 2.411 -7.204 0.425 1.00 0.00 C ATOM 654 CG GLN A 165 3.321 -6.796 -0.737 1.00 0.00 C ATOM 655 CD GLN A 165 4.800 -6.848 -0.370 1.00 0.00 C ATOM 656 OE1 GLN A 165 5.402 -7.919 -0.335 1.00 0.00 O ATOM 657 NE2 GLN A 165 5.406 -5.697 -0.092 1.00 0.00 N ATOM 0 H GLN A 165 4.294 -5.369 2.022 1.00 0.00 H new ATOM 0 HA GLN A 165 2.342 -5.183 1.069 1.00 0.00 H new ATOM 0 HB2 GLN A 165 2.730 -8.170 0.818 1.00 0.00 H new ATOM 0 HB3 GLN A 165 1.390 -7.328 0.064 1.00 0.00 H new ATOM 0 HG2 GLN A 165 3.138 -7.455 -1.586 1.00 0.00 H new ATOM 0 HG3 GLN A 165 3.065 -5.786 -1.057 1.00 0.00 H new ATOM 0 HE21 GLN A 165 4.882 -4.823 -0.129 1.00 0.00 H new ATOM 0 HE22 GLN A 165 6.395 -5.689 0.158 1.00 0.00 H new ATOM 666 N SER A 166 1.401 -5.871 3.757 1.00 0.00 N ATOM 667 CA SER A 166 0.315 -5.872 4.727 1.00 0.00 C ATOM 668 C SER A 166 -0.483 -4.575 4.628 1.00 0.00 C ATOM 669 O SER A 166 0.035 -3.507 4.944 1.00 0.00 O ATOM 670 CB SER A 166 0.904 -6.000 6.132 1.00 0.00 C ATOM 671 OG SER A 166 1.683 -7.174 6.242 1.00 0.00 O ATOM 0 H SER A 166 2.291 -5.544 4.132 1.00 0.00 H new ATOM 0 HA SER A 166 -0.350 -6.711 4.521 1.00 0.00 H new ATOM 0 HB2 SER A 166 1.518 -5.128 6.355 1.00 0.00 H new ATOM 0 HB3 SER A 166 0.100 -6.020 6.868 1.00 0.00 H new ATOM 0 HG SER A 166 2.579 -7.007 5.880 1.00 0.00 H new ATOM 677 N ILE A 167 -1.744 -4.667 4.192 1.00 0.00 N ATOM 678 CA ILE A 167 -2.673 -3.537 4.147 1.00 0.00 C ATOM 679 C ILE A 167 -2.987 -3.005 5.540 1.00 0.00 C ATOM 680 O ILE A 167 -3.476 -1.885 5.677 1.00 0.00 O ATOM 681 CB ILE A 167 -3.983 -3.988 3.498 1.00 0.00 C ATOM 682 CG1 ILE A 167 -4.596 -5.150 4.288 1.00 0.00 C ATOM 683 CG2 ILE A 167 -3.708 -4.390 2.051 1.00 0.00 C ATOM 684 CD1 ILE A 167 -5.624 -5.913 3.467 1.00 0.00 C ATOM 0 H ILE A 167 -2.151 -5.540 3.857 1.00 0.00 H new ATOM 0 HA ILE A 167 -2.200 -2.742 3.570 1.00 0.00 H new ATOM 0 HB ILE A 167 -4.701 -3.168 3.507 1.00 0.00 H new ATOM 0 HG12 ILE A 167 -3.806 -5.831 4.604 1.00 0.00 H new ATOM 0 HG13 ILE A 167 -5.067 -4.766 5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -4.637 -4.713 1.580 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -3.303 -3.537 1.507 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -2.988 -5.208 2.031 1.00 0.00 H new ATOM 0 HD11 ILE A 167 -6.034 -6.728 4.064 1.00 0.00 H new ATOM 0 HD12 ILE A 167 -6.428 -5.238 3.173 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -5.148 -6.320 2.575 1.00 0.00 H new ATOM 696 N SER A 168 -2.703 -3.811 6.562 1.00 0.00 N ATOM 697 CA SER A 168 -2.845 -3.444 7.959 1.00 0.00 C ATOM 698 C SER A 168 -2.182 -2.089 8.233 1.00 0.00 C ATOM 699 O SER A 168 -2.767 -1.234 8.897 1.00 0.00 O ATOM 700 CB SER A 168 -2.295 -4.572 8.826 1.00 0.00 C ATOM 701 OG SER A 168 -0.916 -4.726 8.590 1.00 0.00 O ATOM 0 H SER A 168 -2.359 -4.762 6.431 1.00 0.00 H new ATOM 0 HA SER A 168 -3.897 -3.316 8.213 1.00 0.00 H new ATOM 0 HB2 SER A 168 -2.471 -4.352 9.879 1.00 0.00 H new ATOM 0 HB3 SER A 168 -2.818 -5.502 8.603 1.00 0.00 H new ATOM 0 HG SER A 168 -0.567 -5.450 9.150 1.00 0.00 H new ATOM 707 N HIS A 169 -0.955 -1.910 7.730 1.00 0.00 N ATOM 708 CA HIS A 169 -0.147 -0.723 7.936 1.00 0.00 C ATOM 709 C HIS A 169 0.494 -0.283 6.621 1.00 0.00 C ATOM 710 O HIS A 169 0.102 -0.733 5.548 1.00 0.00 O ATOM 711 CB HIS A 169 0.922 -1.028 8.991 1.00 0.00 C ATOM 712 CG HIS A 169 1.785 -2.218 8.648 1.00 0.00 C ATOM 713 ND1 HIS A 169 1.680 -3.472 9.200 1.00 0.00 N ATOM 714 CD2 HIS A 169 2.808 -2.263 7.740 1.00 0.00 C ATOM 715 CE1 HIS A 169 2.613 -4.255 8.633 1.00 0.00 C ATOM 716 NE2 HIS A 169 3.333 -3.556 7.736 1.00 0.00 N ATOM 0 H HIS A 169 -0.492 -2.613 7.153 1.00 0.00 H new ATOM 0 HA HIS A 169 -0.775 0.095 8.289 1.00 0.00 H new ATOM 0 HB2 HIS A 169 1.558 -0.152 9.116 1.00 0.00 H new ATOM 0 HB3 HIS A 169 0.435 -1.207 9.949 1.00 0.00 H new ATOM 0 HD1 HIS A 169 1.011 -3.758 9.915 1.00 0.00 H new ATOM 0 HD2 HIS A 169 3.150 -1.439 7.131 1.00 0.00 H new ATOM 0 HE1 HIS A 169 2.764 -5.299 8.865 1.00 0.00 H new ATOM 724 N MET A 170 1.487 0.604 6.702 1.00 0.00 N ATOM 725 CA MET A 170 2.247 1.067 5.558 1.00 0.00 C ATOM 726 C MET A 170 3.716 0.793 5.835 1.00 0.00 C ATOM 727 O MET A 170 4.092 0.599 6.992 1.00 0.00 O ATOM 728 CB MET A 170 2.045 2.574 5.402 1.00 0.00 C ATOM 729 CG MET A 170 0.596 2.969 5.113 1.00 0.00 C ATOM 730 SD MET A 170 0.212 3.251 3.369 1.00 0.00 S ATOM 731 CE MET A 170 0.458 1.591 2.704 1.00 0.00 C ATOM 0 H MET A 170 1.785 1.023 7.583 1.00 0.00 H new ATOM 0 HA MET A 170 1.923 0.559 4.650 1.00 0.00 H new ATOM 0 HB2 MET A 170 2.374 3.073 6.313 1.00 0.00 H new ATOM 0 HB3 MET A 170 2.680 2.936 4.593 1.00 0.00 H new ATOM 0 HG2 MET A 170 -0.060 2.185 5.492 1.00 0.00 H new ATOM 0 HG3 MET A 170 0.365 3.876 5.671 1.00 0.00 H new ATOM 0 HE1 MET A 170 0.399 1.623 1.616 1.00 0.00 H new ATOM 0 HE2 MET A 170 1.438 1.220 3.004 1.00 0.00 H new ATOM 0 HE3 MET A 170 -0.315 0.926 3.090 1.00 0.00 H new ATOM 741 N VAL A 171 4.557 0.774 4.804 1.00 0.00 N ATOM 742 CA VAL A 171 5.997 0.662 4.985 1.00 0.00 C ATOM 743 C VAL A 171 6.481 1.805 5.852 1.00 0.00 C ATOM 744 O VAL A 171 7.524 1.723 6.494 1.00 0.00 O ATOM 745 CB VAL A 171 6.702 0.714 3.635 1.00 0.00 C ATOM 746 CG1 VAL A 171 6.645 2.130 3.080 1.00 0.00 C ATOM 747 CG2 VAL A 171 8.167 0.339 3.775 1.00 0.00 C ATOM 0 H VAL A 171 4.261 0.835 3.830 1.00 0.00 H new ATOM 0 HA VAL A 171 6.224 -0.289 5.466 1.00 0.00 H new ATOM 0 HB VAL A 171 6.199 0.011 2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 171 7.150 2.163 2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 171 5.605 2.430 2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 171 7.139 2.812 3.772 1.00 0.00 H new ATOM 0 HG21 VAL A 171 8.649 0.383 2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 171 8.658 1.036 4.454 1.00 0.00 H new ATOM 0 HG23 VAL A 171 8.247 -0.672 4.174 1.00 0.00 H new ATOM 757 N ALA A 172 5.703 2.886 5.871 1.00 0.00 N ATOM 758 CA ALA A 172 6.011 4.047 6.667 1.00 0.00 C ATOM 759 C ALA A 172 5.963 3.699 8.152 1.00 0.00 C ATOM 760 O ALA A 172 6.416 4.473 8.995 1.00 0.00 O ATOM 761 CB ALA A 172 4.994 5.131 6.340 1.00 0.00 C ATOM 0 H ALA A 172 4.842 2.970 5.330 1.00 0.00 H new ATOM 0 HA ALA A 172 7.017 4.401 6.440 1.00 0.00 H new ATOM 0 HB1 ALA A 172 5.208 6.021 6.932 1.00 0.00 H new ATOM 0 HB2 ALA A 172 5.053 5.377 5.280 1.00 0.00 H new ATOM 0 HB3 ALA A 172 3.992 4.772 6.574 1.00 0.00 H new ATOM 767 N SER A 173 5.410 2.525 8.456 1.00 0.00 N ATOM 768 CA SER A 173 5.203 2.028 9.789 1.00 0.00 C ATOM 769 C SER A 173 5.405 0.512 9.840 1.00 0.00 C ATOM 770 O SER A 173 4.970 -0.111 10.806 1.00 0.00 O ATOM 771 CB SER A 173 3.776 2.391 10.196 1.00 0.00 C ATOM 772 OG SER A 173 3.797 3.501 11.066 1.00 0.00 O ATOM 0 H SER A 173 5.085 1.877 7.739 1.00 0.00 H new ATOM 0 HA SER A 173 5.923 2.474 10.475 1.00 0.00 H new ATOM 0 HB2 SER A 173 3.183 2.622 9.311 1.00 0.00 H new ATOM 0 HB3 SER A 173 3.300 1.542 10.686 1.00 0.00 H new ATOM 0 HG SER A 173 2.880 3.732 11.324 1.00 0.00 H new ATOM 778 N CYS A 174 6.048 -0.090 8.828 1.00 0.00 N ATOM 779 CA CYS A 174 6.221 -1.537 8.835 1.00 0.00 C ATOM 780 C CYS A 174 6.871 -1.987 10.148 1.00 0.00 C ATOM 781 O CYS A 174 7.858 -1.396 10.591 1.00 0.00 O ATOM 782 CB CYS A 174 7.036 -2.008 7.637 1.00 0.00 C ATOM 783 SG CYS A 174 6.792 -3.791 7.413 1.00 0.00 S ATOM 0 H CYS A 174 6.444 0.391 8.020 1.00 0.00 H new ATOM 0 HA CYS A 174 5.235 -1.995 8.758 1.00 0.00 H new ATOM 0 HB2 CYS A 174 6.729 -1.471 6.739 1.00 0.00 H new ATOM 0 HB3 CYS A 174 8.093 -1.790 7.793 1.00 0.00 H new ATOM 788 N PRO A 175 6.332 -3.029 10.786 1.00 0.00 N ATOM 789 CA PRO A 175 6.885 -3.596 11.999 1.00 0.00 C ATOM 790 C PRO A 175 8.138 -4.410 11.698 1.00 0.00 C ATOM 791 O PRO A 175 8.895 -4.728 12.614 1.00 0.00 O ATOM 792 CB PRO A 175 5.789 -4.507 12.541 1.00 0.00 C ATOM 793 CG PRO A 175 5.058 -4.954 11.282 1.00 0.00 C ATOM 794 CD PRO A 175 5.130 -3.729 10.387 1.00 0.00 C ATOM 0 HA PRO A 175 7.176 -2.822 12.709 1.00 0.00 H new ATOM 0 HB2 PRO A 175 6.203 -5.354 13.089 1.00 0.00 H new ATOM 0 HB3 PRO A 175 5.126 -3.977 13.225 1.00 0.00 H new ATOM 0 HG2 PRO A 175 5.539 -5.818 10.822 1.00 0.00 H new ATOM 0 HG3 PRO A 175 4.027 -5.238 11.494 1.00 0.00 H new ATOM 0 HD2 PRO A 175 5.172 -4.013 9.336 1.00 0.00 H new ATOM 0 HD3 PRO A 175 4.249 -3.099 10.512 1.00 0.00 H new ATOM 802 N LEU A 176 8.379 -4.756 10.429 1.00 0.00 N ATOM 803 CA LEU A 176 9.541 -5.546 10.071 1.00 0.00 C ATOM 804 C LEU A 176 10.753 -4.649 9.930 1.00 0.00 C ATOM 805 O LEU A 176 11.767 -4.873 10.586 1.00 0.00 O ATOM 806 CB LEU A 176 9.278 -6.258 8.744 1.00 0.00 C ATOM 807 CG LEU A 176 7.973 -7.051 8.747 1.00 0.00 C ATOM 808 CD1 LEU A 176 7.876 -7.780 7.415 1.00 0.00 C ATOM 809 CD2 LEU A 176 7.942 -8.066 9.882 1.00 0.00 C ATOM 0 H LEU A 176 7.783 -4.498 9.643 1.00 0.00 H new ATOM 0 HA LEU A 176 9.731 -6.281 10.853 1.00 0.00 H new ATOM 0 HB2 LEU A 176 9.248 -5.521 7.941 1.00 0.00 H new ATOM 0 HB3 LEU A 176 10.107 -6.932 8.528 1.00 0.00 H new ATOM 0 HG LEU A 176 7.135 -6.369 8.891 1.00 0.00 H new ATOM 0 HD11 LEU A 176 6.953 -8.358 7.383 1.00 0.00 H new ATOM 0 HD12 LEU A 176 7.878 -7.054 6.602 1.00 0.00 H new ATOM 0 HD13 LEU A 176 8.728 -8.451 7.304 1.00 0.00 H new ATOM 0 HD21 LEU A 176 7.000 -8.613 9.855 1.00 0.00 H new ATOM 0 HD22 LEU A 176 8.771 -8.765 9.768 1.00 0.00 H new ATOM 0 HD23 LEU A 176 8.033 -7.547 10.836 1.00 0.00 H new ATOM 821 N LYS A 177 10.656 -3.625 9.073 1.00 0.00 N ATOM 822 CA LYS A 177 11.776 -2.745 8.758 1.00 0.00 C ATOM 823 C LYS A 177 12.421 -2.181 10.012 1.00 0.00 C ATOM 824 O LYS A 177 13.578 -1.772 9.972 1.00 0.00 O ATOM 825 CB LYS A 177 11.297 -1.624 7.849 1.00 0.00 C ATOM 826 CG LYS A 177 10.449 -0.661 8.659 1.00 0.00 C ATOM 827 CD LYS A 177 9.864 0.432 7.762 1.00 0.00 C ATOM 828 CE LYS A 177 10.942 1.383 7.245 1.00 0.00 C ATOM 829 NZ LYS A 177 11.440 2.254 8.324 1.00 0.00 N ATOM 0 H LYS A 177 9.795 -3.387 8.580 1.00 0.00 H new ATOM 0 HA LYS A 177 12.538 -3.330 8.244 1.00 0.00 H new ATOM 0 HB2 LYS A 177 12.149 -1.102 7.414 1.00 0.00 H new ATOM 0 HB3 LYS A 177 10.717 -2.032 7.021 1.00 0.00 H new ATOM 0 HG2 LYS A 177 9.643 -1.205 9.151 1.00 0.00 H new ATOM 0 HG3 LYS A 177 11.054 -0.208 9.445 1.00 0.00 H new ATOM 0 HD2 LYS A 177 9.350 -0.028 6.918 1.00 0.00 H new ATOM 0 HD3 LYS A 177 9.118 0.998 8.319 1.00 0.00 H new ATOM 0 HE2 LYS A 177 11.768 0.808 6.826 1.00 0.00 H new ATOM 0 HE3 LYS A 177 10.537 1.993 6.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 11.376 3.248 8.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 10.864 2.112 9.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 12.431 2.018 8.531 1.00 0.00 H new ATOM 843 N ALA A 178 11.676 -2.160 11.115 1.00 0.00 N ATOM 844 CA ALA A 178 12.152 -1.635 12.375 1.00 0.00 C ATOM 845 C ALA A 178 13.425 -2.348 12.831 1.00 0.00 C ATOM 846 O ALA A 178 14.166 -1.824 13.656 1.00 0.00 O ATOM 847 CB ALA A 178 11.054 -1.827 13.417 1.00 0.00 C ATOM 0 H ALA A 178 10.719 -2.511 11.151 1.00 0.00 H new ATOM 0 HA ALA A 178 12.391 -0.578 12.254 1.00 0.00 H new ATOM 0 HB1 ALA A 178 11.392 -1.437 14.377 1.00 0.00 H new ATOM 0 HB2 ALA A 178 10.157 -1.292 13.103 1.00 0.00 H new ATOM 0 HB3 ALA A 178 10.828 -2.889 13.516 1.00 0.00 H new ATOM 853 N GLN A 179 13.674 -3.542 12.286 1.00 0.00 N ATOM 854 CA GLN A 179 14.865 -4.316 12.582 1.00 0.00 C ATOM 855 C GLN A 179 15.393 -5.034 11.336 1.00 0.00 C ATOM 856 O GLN A 179 16.184 -5.970 11.437 1.00 0.00 O ATOM 857 CB GLN A 179 14.602 -5.251 13.770 1.00 0.00 C ATOM 858 CG GLN A 179 13.250 -5.966 13.747 1.00 0.00 C ATOM 859 CD GLN A 179 13.137 -7.037 12.670 1.00 0.00 C ATOM 860 OE1 GLN A 179 14.125 -7.646 12.264 1.00 0.00 O ATOM 861 NE2 GLN A 179 11.923 -7.274 12.196 1.00 0.00 N ATOM 0 H GLN A 179 13.045 -3.995 11.623 1.00 0.00 H new ATOM 0 HA GLN A 179 15.667 -3.642 12.883 1.00 0.00 H new ATOM 0 HB2 GLN A 179 15.392 -6.002 13.803 1.00 0.00 H new ATOM 0 HB3 GLN A 179 14.674 -4.672 14.691 1.00 0.00 H new ATOM 0 HG2 GLN A 179 13.075 -6.424 14.721 1.00 0.00 H new ATOM 0 HG3 GLN A 179 12.462 -5.228 13.596 1.00 0.00 H new ATOM 0 HE21 GLN A 179 11.124 -6.751 12.555 1.00 0.00 H new ATOM 0 HE22 GLN A 179 11.787 -7.980 11.472 1.00 0.00 H new ATOM 870 N GLN A 180 14.958 -4.592 10.151 1.00 0.00 N ATOM 871 CA GLN A 180 15.416 -5.145 8.880 1.00 0.00 C ATOM 872 C GLN A 180 16.067 -4.067 8.025 1.00 0.00 C ATOM 873 O GLN A 180 16.881 -4.370 7.156 1.00 0.00 O ATOM 874 CB GLN A 180 14.222 -5.685 8.084 1.00 0.00 C ATOM 875 CG GLN A 180 13.290 -6.590 8.881 1.00 0.00 C ATOM 876 CD GLN A 180 13.557 -8.066 8.614 1.00 0.00 C ATOM 877 OE1 GLN A 180 13.425 -8.531 7.482 1.00 0.00 O ATOM 878 NE2 GLN A 180 13.934 -8.809 9.651 1.00 0.00 N ATOM 0 H GLN A 180 14.277 -3.839 10.050 1.00 0.00 H new ATOM 0 HA GLN A 180 16.131 -5.936 9.106 1.00 0.00 H new ATOM 0 HB2 GLN A 180 13.648 -4.843 7.698 1.00 0.00 H new ATOM 0 HB3 GLN A 180 14.596 -6.238 7.222 1.00 0.00 H new ATOM 0 HG2 GLN A 180 13.411 -6.387 9.945 1.00 0.00 H new ATOM 0 HG3 GLN A 180 12.256 -6.358 8.628 1.00 0.00 H new ATOM 0 HE21 GLN A 180 14.032 -8.385 10.574 1.00 0.00 H new ATOM 0 HE22 GLN A 180 14.125 -9.803 9.524 1.00 0.00 H new ATOM 887 N GLY A 181 15.709 -2.802 8.269 1.00 0.00 N ATOM 888 CA GLY A 181 16.217 -1.681 7.500 1.00 0.00 C ATOM 889 C GLY A 181 15.582 -0.379 7.969 1.00 0.00 C ATOM 890 O GLY A 181 14.896 0.278 7.187 1.00 0.00 O ATOM 0 H GLY A 181 15.058 -2.535 9.008 1.00 0.00 H new ATOM 0 HA2 GLY A 181 17.300 -1.622 7.605 1.00 0.00 H new ATOM 0 HA3 GLY A 181 16.007 -1.834 6.441 1.00 0.00 H new ATOM 894 N PRO A 182 15.792 0.011 9.233 1.00 0.00 N ATOM 895 CA PRO A 182 15.212 1.214 9.823 1.00 0.00 C ATOM 896 C PRO A 182 15.799 2.486 9.211 1.00 0.00 C ATOM 897 O PRO A 182 15.377 3.585 9.569 1.00 0.00 O ATOM 898 CB PRO A 182 15.520 1.108 11.316 1.00 0.00 C ATOM 899 CG PRO A 182 16.791 0.274 11.366 1.00 0.00 C ATOM 900 CD PRO A 182 16.608 -0.694 10.201 1.00 0.00 C ATOM 0 HA PRO A 182 14.140 1.281 9.635 1.00 0.00 H new ATOM 0 HB2 PRO A 182 15.668 2.090 11.765 1.00 0.00 H new ATOM 0 HB3 PRO A 182 14.706 0.629 11.859 1.00 0.00 H new ATOM 0 HG2 PRO A 182 17.683 0.889 11.244 1.00 0.00 H new ATOM 0 HG3 PRO A 182 16.893 -0.251 12.316 1.00 0.00 H new ATOM 0 HD2 PRO A 182 17.569 -0.977 9.772 1.00 0.00 H new ATOM 0 HD3 PRO A 182 16.122 -1.613 10.528 1.00 0.00 H new ATOM 908 N SER A 183 16.759 2.345 8.296 1.00 0.00 N ATOM 909 CA SER A 183 17.373 3.460 7.587 1.00 0.00 C ATOM 910 C SER A 183 16.366 4.121 6.641 1.00 0.00 C ATOM 911 O SER A 183 15.270 3.608 6.428 1.00 0.00 O ATOM 912 CB SER A 183 18.584 2.946 6.811 1.00 0.00 C ATOM 913 OG SER A 183 18.203 1.882 5.968 1.00 0.00 O ATOM 0 H SER A 183 17.135 1.437 8.025 1.00 0.00 H new ATOM 0 HA SER A 183 17.695 4.214 8.306 1.00 0.00 H new ATOM 0 HB2 SER A 183 19.015 3.753 6.219 1.00 0.00 H new ATOM 0 HB3 SER A 183 19.355 2.612 7.505 1.00 0.00 H new ATOM 0 HG SER A 183 18.985 1.560 5.473 1.00 0.00 H new ATOM 919 N ALA A 184 16.736 5.267 6.067 1.00 0.00 N ATOM 920 CA ALA A 184 15.874 5.985 5.143 1.00 0.00 C ATOM 921 C ALA A 184 16.685 6.790 4.127 1.00 0.00 C ATOM 922 O ALA A 184 16.110 7.488 3.294 1.00 0.00 O ATOM 923 CB ALA A 184 14.962 6.916 5.941 1.00 0.00 C ATOM 0 H ALA A 184 17.637 5.716 6.232 1.00 0.00 H new ATOM 0 HA ALA A 184 15.280 5.261 4.586 1.00 0.00 H new ATOM 0 HB1 ALA A 184 14.310 7.460 5.258 1.00 0.00 H new ATOM 0 HB2 ALA A 184 14.356 6.328 6.630 1.00 0.00 H new ATOM 0 HB3 ALA A 184 15.569 7.624 6.505 1.00 0.00 H new ATOM 929 N GLN A 185 18.020 6.696 4.187 1.00 0.00 N ATOM 930 CA GLN A 185 18.903 7.426 3.294 1.00 0.00 C ATOM 931 C GLN A 185 20.062 6.537 2.854 1.00 0.00 C ATOM 932 O GLN A 185 20.342 5.514 3.475 1.00 0.00 O ATOM 933 CB GLN A 185 19.458 8.662 4.008 1.00 0.00 C ATOM 934 CG GLN A 185 18.346 9.627 4.421 1.00 0.00 C ATOM 935 CD GLN A 185 18.925 10.880 5.064 1.00 0.00 C ATOM 936 OE1 GLN A 185 20.069 11.244 4.809 1.00 0.00 O ATOM 937 NE2 GLN A 185 18.140 11.547 5.902 1.00 0.00 N ATOM 0 H GLN A 185 18.510 6.108 4.861 1.00 0.00 H new ATOM 0 HA GLN A 185 18.334 7.734 2.417 1.00 0.00 H new ATOM 0 HB2 GLN A 185 20.016 8.351 4.891 1.00 0.00 H new ATOM 0 HB3 GLN A 185 20.160 9.176 3.352 1.00 0.00 H new ATOM 0 HG2 GLN A 185 17.754 9.902 3.548 1.00 0.00 H new ATOM 0 HG3 GLN A 185 17.671 9.133 5.120 1.00 0.00 H new ATOM 0 HE21 GLN A 185 17.194 11.214 6.089 1.00 0.00 H new ATOM 0 HE22 GLN A 185 18.483 12.392 6.358 1.00 0.00 H new ATOM 946 N GLY A 186 20.744 6.934 1.778 1.00 0.00 N ATOM 947 CA GLY A 186 21.890 6.213 1.246 1.00 0.00 C ATOM 948 C GLY A 186 22.324 6.803 -0.086 1.00 0.00 C ATOM 949 O GLY A 186 22.296 6.048 -1.082 1.00 0.00 O ATOM 950 OXT GLY A 186 22.686 7.998 -0.101 1.00 0.00 O ATOM 0 H GLY A 186 20.510 7.774 1.250 1.00 0.00 H new ATOM 0 HA2 GLY A 186 22.716 6.258 1.956 1.00 0.00 H new ATOM 0 HA3 GLY A 186 21.637 5.161 1.118 1.00 0.00 H new TER 954 GLY A 186 ATOM 955 O5' A B 1 12.080 7.018 3.616 1.00 0.00 O ATOM 956 C5' A B 1 10.809 6.605 4.074 1.00 0.00 C ATOM 957 C4' A B 1 9.746 7.020 3.058 1.00 0.00 C ATOM 958 O4' A B 1 9.864 6.211 1.896 1.00 0.00 O ATOM 959 C3' A B 1 8.353 6.816 3.635 1.00 0.00 C ATOM 960 O3' A B 1 7.528 7.830 3.081 1.00 0.00 O ATOM 961 C2' A B 1 8.024 5.433 3.110 1.00 0.00 C ATOM 962 O2' A B 1 6.638 5.218 3.053 1.00 0.00 O ATOM 963 C1' A B 1 8.642 5.518 1.729 1.00 0.00 C ATOM 964 N9 A B 1 8.817 4.203 1.078 1.00 0.00 N ATOM 965 C8 A B 1 8.229 3.782 -0.082 1.00 0.00 C ATOM 966 N7 A B 1 8.579 2.577 -0.448 1.00 0.00 N ATOM 967 C5 A B 1 9.434 2.161 0.566 1.00 0.00 C ATOM 968 C6 A B 1 10.145 0.970 0.792 1.00 0.00 C ATOM 969 N6 A B 1 10.124 -0.074 -0.042 1.00 0.00 N ATOM 970 N1 A B 1 10.886 0.856 1.897 1.00 0.00 N ATOM 971 C2 A B 1 10.922 1.879 2.744 1.00 0.00 C ATOM 972 N3 A B 1 10.320 3.058 2.649 1.00 0.00 N ATOM 973 C4 A B 1 9.570 3.134 1.523 1.00 0.00 C ATOM 0 H5' A B 1 10.596 7.054 5.044 1.00 0.00 H new ATOM 0 H5'' A B 1 10.793 5.524 4.213 1.00 0.00 H new ATOM 0 H4' A B 1 9.894 8.072 2.814 1.00 0.00 H new ATOM 0 H3' A B 1 8.239 6.878 4.717 1.00 0.00 H new ATOM 0 H2' A B 1 8.390 4.609 3.722 1.00 0.00 H new ATOM 0 HO2' A B 1 6.249 5.774 2.346 1.00 0.00 H new ATOM 0 HO5' A B 1 11.978 7.535 2.790 1.00 0.00 H new ATOM 0 H1' A B 1 7.976 6.047 1.047 1.00 0.00 H new ATOM 0 H8 A B 1 7.537 4.390 -0.646 1.00 0.00 H new ATOM 0 H61 A B 1 10.662 -0.913 0.177 1.00 0.00 H new ATOM 0 H62 A B 1 9.570 -0.032 -0.897 1.00 0.00 H new ATOM 0 H2 A B 1 11.522 1.731 3.630 1.00 0.00 H new ATOM 986 P G B 2 6.307 8.439 3.926 1.00 0.00 P ATOM 987 OP1 G B 2 6.519 9.898 4.061 1.00 0.00 O ATOM 988 OP2 G B 2 6.138 7.616 5.140 1.00 0.00 O ATOM 989 O5' G B 2 5.038 8.211 2.972 1.00 0.00 O ATOM 990 C5' G B 2 4.669 9.181 2.013 1.00 0.00 C ATOM 991 C4' G B 2 3.428 8.706 1.259 1.00 0.00 C ATOM 992 O4' G B 2 3.681 7.552 0.478 1.00 0.00 O ATOM 993 C3' G B 2 2.297 8.402 2.236 1.00 0.00 C ATOM 994 O3' G B 2 1.521 9.571 2.443 1.00 0.00 O ATOM 995 C2' G B 2 1.556 7.267 1.538 1.00 0.00 C ATOM 996 O2' G B 2 0.549 7.735 0.671 1.00 0.00 O ATOM 997 C1' G B 2 2.622 6.626 0.663 1.00 0.00 C ATOM 998 N9 G B 2 3.138 5.403 1.301 1.00 0.00 N ATOM 999 C8 G B 2 3.926 5.261 2.420 1.00 0.00 C ATOM 1000 N7 G B 2 4.100 4.021 2.768 1.00 0.00 N ATOM 1001 C5 G B 2 3.490 3.288 1.754 1.00 0.00 C ATOM 1002 C6 G B 2 3.460 1.887 1.529 1.00 0.00 C ATOM 1003 O6 G B 2 3.957 0.989 2.198 1.00 0.00 O ATOM 1004 N1 G B 2 2.770 1.549 0.385 1.00 0.00 N ATOM 1005 C2 G B 2 2.158 2.448 -0.450 1.00 0.00 C ATOM 1006 N2 G B 2 1.513 1.953 -1.503 1.00 0.00 N ATOM 1007 N3 G B 2 2.195 3.775 -0.261 1.00 0.00 N ATOM 1008 C4 G B 2 2.889 4.125 0.857 1.00 0.00 C ATOM 0 H5' G B 2 5.490 9.348 1.315 1.00 0.00 H new ATOM 0 H5'' G B 2 4.468 10.134 2.503 1.00 0.00 H new ATOM 0 H4' G B 2 3.141 9.516 0.588 1.00 0.00 H new ATOM 0 H3' G B 2 2.604 8.108 3.240 1.00 0.00 H new ATOM 0 H2' G B 2 1.084 6.612 2.271 1.00 0.00 H new ATOM 0 HO2' G B 2 -0.232 8.010 1.195 1.00 0.00 H new ATOM 0 H1' G B 2 2.188 6.359 -0.300 1.00 0.00 H new ATOM 0 H8 G B 2 4.356 6.095 2.955 1.00 0.00 H new ATOM 0 H1 G B 2 2.710 0.560 0.142 1.00 0.00 H new ATOM 0 H21 G B 2 1.042 2.581 -2.154 1.00 0.00 H new ATOM 0 H22 G B 2 1.490 0.945 -1.659 1.00 0.00 H new ATOM 1020 P G B 3 0.221 9.570 3.377 1.00 0.00 P ATOM 1021 OP1 G B 3 0.024 10.947 3.888 1.00 0.00 O ATOM 1022 OP2 G B 3 0.326 8.443 4.330 1.00 0.00 O ATOM 1023 O5' G B 3 -0.948 9.233 2.316 1.00 0.00 O ATOM 1024 C5' G B 3 -1.442 10.217 1.420 1.00 0.00 C ATOM 1025 C4' G B 3 -1.547 9.607 0.022 1.00 0.00 C ATOM 1026 O4' G B 3 -2.280 8.399 0.126 1.00 0.00 O ATOM 1027 C3' G B 3 -2.261 10.492 -1.007 1.00 0.00 C ATOM 1028 O3' G B 3 -1.492 10.609 -2.187 1.00 0.00 O ATOM 1029 C2' G B 3 -3.491 9.668 -1.364 1.00 0.00 C ATOM 1030 O2' G B 3 -3.823 9.810 -2.727 1.00 0.00 O ATOM 1031 C1' G B 3 -3.027 8.253 -1.053 1.00 0.00 C ATOM 1032 N9 G B 3 -4.163 7.331 -0.847 1.00 0.00 N ATOM 1033 C8 G B 3 -4.422 6.156 -1.493 1.00 0.00 C ATOM 1034 N7 G B 3 -5.517 5.562 -1.109 1.00 0.00 N ATOM 1035 C5 G B 3 -6.026 6.412 -0.136 1.00 0.00 C ATOM 1036 C6 G B 3 -7.210 6.300 0.649 1.00 0.00 C ATOM 1037 O6 G B 3 -8.058 5.409 0.621 1.00 0.00 O ATOM 1038 N1 G B 3 -7.361 7.359 1.529 1.00 0.00 N ATOM 1039 C2 G B 3 -6.486 8.408 1.634 1.00 0.00 C ATOM 1040 N2 G B 3 -6.782 9.351 2.521 1.00 0.00 N ATOM 1041 N3 G B 3 -5.370 8.526 0.905 1.00 0.00 N ATOM 1042 C4 G B 3 -5.201 7.496 0.040 1.00 0.00 C ATOM 0 H5' G B 3 -0.777 11.081 1.405 1.00 0.00 H new ATOM 0 H5'' G B 3 -2.418 10.572 1.751 1.00 0.00 H new ATOM 0 H4' G B 3 -0.525 9.469 -0.332 1.00 0.00 H new ATOM 0 H3' G B 3 -2.456 11.493 -0.622 1.00 0.00 H new ATOM 0 H2' G B 3 -4.390 9.964 -0.823 1.00 0.00 H new ATOM 0 HO2' G B 3 -3.829 10.761 -2.965 1.00 0.00 H new ATOM 0 H1' G B 3 -2.454 7.819 -1.873 1.00 0.00 H new ATOM 0 H8 G B 3 -3.774 5.753 -2.257 1.00 0.00 H new ATOM 0 H1 G B 3 -8.178 7.358 2.140 1.00 0.00 H new ATOM 0 H21 G B 3 -6.163 10.153 2.638 1.00 0.00 H new ATOM 0 H22 G B 3 -7.628 9.273 3.085 1.00 0.00 H new ATOM 1054 P A B 4 -0.197 11.543 -2.250 1.00 0.00 P ATOM 1055 OP1 A B 4 0.967 10.788 -1.747 1.00 0.00 O ATOM 1056 OP2 A B 4 -0.533 12.856 -1.655 1.00 0.00 O ATOM 1057 O5' A B 4 -0.015 11.745 -3.827 1.00 0.00 O ATOM 1058 C5' A B 4 -0.788 12.704 -4.505 1.00 0.00 C ATOM 1059 C4' A B 4 -0.649 12.547 -6.019 1.00 0.00 C ATOM 1060 O4' A B 4 -1.487 11.502 -6.487 1.00 0.00 O ATOM 1061 C3' A B 4 -1.130 13.833 -6.678 1.00 0.00 C ATOM 1062 O3' A B 4 -0.463 14.029 -7.903 1.00 0.00 O ATOM 1063 C2' A B 4 -2.617 13.566 -6.877 1.00 0.00 C ATOM 1064 O2' A B 4 -3.144 14.245 -8.001 1.00 0.00 O ATOM 1065 C1' A B 4 -2.666 12.054 -7.059 1.00 0.00 C ATOM 1066 N9 A B 4 -3.895 11.517 -6.443 1.00 0.00 N ATOM 1067 C8 A B 4 -4.294 11.599 -5.134 1.00 0.00 C ATOM 1068 N7 A B 4 -5.455 11.053 -4.897 1.00 0.00 N ATOM 1069 C5 A B 4 -5.851 10.568 -6.140 1.00 0.00 C ATOM 1070 C6 A B 4 -6.996 9.882 -6.589 1.00 0.00 C ATOM 1071 N6 A B 4 -8.010 9.531 -5.795 1.00 0.00 N ATOM 1072 N1 A B 4 -7.087 9.567 -7.885 1.00 0.00 N ATOM 1073 C2 A B 4 -6.094 9.904 -8.692 1.00 0.00 C ATOM 1074 N3 A B 4 -4.961 10.539 -8.408 1.00 0.00 N ATOM 1075 C4 A B 4 -4.903 10.846 -7.088 1.00 0.00 C ATOM 0 H5' A B 4 -0.474 13.705 -4.209 1.00 0.00 H new ATOM 0 H5'' A B 4 -1.835 12.601 -4.219 1.00 0.00 H new ATOM 0 H4' A B 4 0.392 12.327 -6.257 1.00 0.00 H new ATOM 0 H3' A B 4 -0.939 14.735 -6.097 1.00 0.00 H new ATOM 0 H2' A B 4 -3.224 13.924 -6.045 1.00 0.00 H new ATOM 0 HO2' A B 4 -4.099 14.042 -8.088 1.00 0.00 H new ATOM 0 H1' A B 4 -2.698 11.784 -8.115 1.00 0.00 H new ATOM 0 H8 A B 4 -3.700 12.074 -4.367 1.00 0.00 H new ATOM 0 H61 A B 4 -8.813 9.035 -6.182 1.00 0.00 H new ATOM 0 H62 A B 4 -7.982 9.759 -4.801 1.00 0.00 H new ATOM 0 H2 A B 4 -6.222 9.624 -9.727 1.00 0.00 H new ATOM 1087 P G B 5 -0.278 15.506 -8.501 1.00 0.00 P ATOM 1088 OP1 G B 5 -0.900 16.468 -7.564 1.00 0.00 O ATOM 1089 OP2 G B 5 -0.700 15.495 -9.920 1.00 0.00 O ATOM 1090 O5' G B 5 1.313 15.744 -8.449 1.00 0.00 O ATOM 1091 C5' G B 5 2.143 15.235 -9.474 1.00 0.00 C ATOM 1092 C4' G B 5 3.166 14.255 -8.913 1.00 0.00 C ATOM 1093 O4' G B 5 2.501 13.189 -8.253 1.00 0.00 O ATOM 1094 C3' G B 5 3.948 13.654 -10.088 1.00 0.00 C ATOM 1095 O3' G B 5 5.256 13.283 -9.705 1.00 0.00 O ATOM 1096 C2' G B 5 3.127 12.409 -10.376 1.00 0.00 C ATOM 1097 O2' G B 5 3.902 11.434 -11.044 1.00 0.00 O ATOM 1098 C1' G B 5 2.747 11.994 -8.967 1.00 0.00 C ATOM 1099 N9 G B 5 1.555 11.131 -8.938 1.00 0.00 N ATOM 1100 C8 G B 5 0.313 11.343 -9.474 1.00 0.00 C ATOM 1101 N7 G B 5 -0.537 10.377 -9.260 1.00 0.00 N ATOM 1102 C5 G B 5 0.209 9.445 -8.536 1.00 0.00 C ATOM 1103 C6 G B 5 -0.161 8.166 -8.028 1.00 0.00 C ATOM 1104 O6 G B 5 -1.245 7.590 -8.100 1.00 0.00 O ATOM 1105 N1 G B 5 0.886 7.542 -7.373 1.00 0.00 N ATOM 1106 C2 G B 5 2.145 8.069 -7.239 1.00 0.00 C ATOM 1107 N2 G B 5 3.032 7.326 -6.593 1.00 0.00 N ATOM 1108 N3 G B 5 2.508 9.265 -7.710 1.00 0.00 N ATOM 1109 C4 G B 5 1.489 9.899 -8.343 1.00 0.00 C ATOM 0 H5' G B 5 2.657 16.057 -9.972 1.00 0.00 H new ATOM 0 H5'' G B 5 1.533 14.737 -10.227 1.00 0.00 H new ATOM 0 H4' G B 5 3.823 14.776 -8.216 1.00 0.00 H new ATOM 0 H3' G B 5 4.071 14.338 -10.928 1.00 0.00 H new ATOM 0 H2' G B 5 2.271 12.556 -11.035 1.00 0.00 H new ATOM 0 HO2' G B 5 4.848 11.556 -10.817 1.00 0.00 H new ATOM 0 H1' G B 5 3.553 11.409 -8.523 1.00 0.00 H new ATOM 0 H8 G B 5 0.059 12.235 -10.027 1.00 0.00 H new ATOM 0 H1 G B 5 0.709 6.626 -6.961 1.00 0.00 H new ATOM 0 H21 G B 5 3.985 7.667 -6.463 1.00 0.00 H new ATOM 0 H22 G B 5 2.762 6.413 -6.226 1.00 0.00 H new ATOM 1121 P A B 6 6.522 14.213 -10.030 1.00 0.00 P ATOM 1122 OP1 A B 6 6.229 14.976 -11.260 1.00 0.00 O ATOM 1123 OP2 A B 6 7.726 13.359 -9.978 1.00 0.00 O ATOM 1124 O5' A B 6 6.600 15.242 -8.796 1.00 0.00 O ATOM 1125 C5' A B 6 5.875 16.462 -8.807 1.00 0.00 C ATOM 1126 C4' A B 6 6.202 17.282 -7.564 1.00 0.00 C ATOM 1127 O4' A B 6 6.020 16.535 -6.370 1.00 0.00 O ATOM 1128 C3' A B 6 7.668 17.671 -7.669 1.00 0.00 C ATOM 1129 O3' A B 6 7.900 19.017 -7.291 1.00 0.00 O ATOM 1130 C2' A B 6 8.315 16.721 -6.674 1.00 0.00 C ATOM 1131 O2' A B 6 9.544 17.216 -6.185 1.00 0.00 O ATOM 1132 C1' A B 6 7.216 16.672 -5.624 1.00 0.00 C ATOM 1133 N9 A B 6 7.372 15.586 -4.632 1.00 0.00 N ATOM 1134 C8 A B 6 8.406 14.696 -4.485 1.00 0.00 C ATOM 1135 N7 A B 6 8.251 13.852 -3.503 1.00 0.00 N ATOM 1136 C5 A B 6 7.034 14.223 -2.936 1.00 0.00 C ATOM 1137 C6 A B 6 6.302 13.756 -1.831 1.00 0.00 C ATOM 1138 N6 A B 6 6.699 12.742 -1.053 1.00 0.00 N ATOM 1139 N1 A B 6 5.142 14.357 -1.534 1.00 0.00 N ATOM 1140 C2 A B 6 4.734 15.369 -2.286 1.00 0.00 C ATOM 1141 N3 A B 6 5.318 15.906 -3.349 1.00 0.00 N ATOM 1142 C4 A B 6 6.488 15.275 -3.625 1.00 0.00 C ATOM 0 H5' A B 6 4.805 16.257 -8.845 1.00 0.00 H new ATOM 0 H5'' A B 6 6.122 17.032 -9.703 1.00 0.00 H new ATOM 0 H4' A B 6 5.538 18.145 -7.517 1.00 0.00 H new ATOM 0 H3' A B 6 8.053 17.600 -8.686 1.00 0.00 H new ATOM 0 H2' A B 6 8.602 15.747 -7.069 1.00 0.00 H new ATOM 0 HO2' A B 6 9.408 17.613 -5.300 1.00 0.00 H new ATOM 0 H1' A B 6 7.234 17.571 -5.009 1.00 0.00 H new ATOM 0 H8 A B 6 9.274 14.695 -5.128 1.00 0.00 H new ATOM 0 H61 A B 6 6.123 12.449 -0.264 1.00 0.00 H new ATOM 0 H62 A B 6 7.578 12.263 -1.249 1.00 0.00 H new ATOM 0 H2 A B 6 3.797 15.819 -1.993 1.00 0.00 H new ATOM 1154 P U B 7 7.135 20.234 -8.009 1.00 0.00 P ATOM 1155 OP1 U B 7 6.691 19.776 -9.345 1.00 0.00 O ATOM 1156 OP2 U B 7 7.968 21.449 -7.885 1.00 0.00 O ATOM 1157 O5' U B 7 5.849 20.406 -7.070 1.00 0.00 O ATOM 1158 C5' U B 7 5.913 21.215 -5.914 1.00 0.00 C ATOM 1159 C4' U B 7 4.803 20.835 -4.933 1.00 0.00 C ATOM 1160 O4' U B 7 5.107 19.586 -4.323 1.00 0.00 O ATOM 1161 C3' U B 7 4.744 21.859 -3.802 1.00 0.00 C ATOM 1162 O3' U B 7 3.466 21.825 -3.197 1.00 0.00 O ATOM 1163 C2' U B 7 5.811 21.323 -2.857 1.00 0.00 C ATOM 1164 O2' U B 7 5.613 21.780 -1.534 1.00 0.00 O ATOM 1165 C1' U B 7 5.605 19.815 -3.008 1.00 0.00 C ATOM 1166 N1 U B 7 6.852 19.057 -2.738 1.00 0.00 N ATOM 1167 C2 U B 7 6.852 18.182 -1.655 1.00 0.00 C ATOM 1168 O2 U B 7 5.867 18.017 -0.938 1.00 0.00 O ATOM 1169 N3 U B 7 8.035 17.497 -1.420 1.00 0.00 N ATOM 1170 C4 U B 7 9.188 17.587 -2.173 1.00 0.00 C ATOM 1171 O4 U B 7 10.177 16.918 -1.895 1.00 0.00 O ATOM 1172 C5 U B 7 9.101 18.518 -3.271 1.00 0.00 C ATOM 1173 C6 U B 7 7.968 19.212 -3.517 1.00 0.00 C ATOM 0 H5' U B 7 5.818 22.265 -6.192 1.00 0.00 H new ATOM 0 H5'' U B 7 6.885 21.099 -5.435 1.00 0.00 H new ATOM 0 H4' U B 7 3.863 20.792 -5.484 1.00 0.00 H new ATOM 0 H3' U B 7 4.906 22.893 -4.106 1.00 0.00 H new ATOM 0 H2' U B 7 6.827 21.647 -3.083 1.00 0.00 H new ATOM 0 HO2' U B 7 6.314 21.416 -0.954 1.00 0.00 H new ATOM 0 HO3' U B 7 3.565 21.707 -2.229 1.00 0.00 H new ATOM 0 H1' U B 7 4.888 19.454 -2.271 1.00 0.00 H new ATOM 0 H3 U B 7 8.055 16.869 -0.617 1.00 0.00 H new ATOM 0 H5 U B 7 9.959 18.664 -3.910 1.00 0.00 H new ATOM 0 H6 U B 7 7.942 19.904 -4.346 1.00 0.00 H new TER 1185 U B 7 HETATM 1186 ZN ZN A 187 -3.334 1.561 -10.681 1.00 0.00 ZN HETATM 1187 ZN ZN A 188 4.926 -3.832 6.361 1.00 0.00 ZN