USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=25 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 159 LYS NZ :NH3+ -163:sc= 0.346 (180deg=-0.544) USER MOD Set 1.2: B 2 G O2' : rot -140:sc= -0.181 USER MOD Set 2.1: A 150 LYS NZ :NH3+ 162:sc= 0.834 (180deg=0.662) USER MOD Set 2.2: B 4 A O2' : rot 37:sc= 0.167 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -168:sc= -0.164 (180deg=-0.299) USER MOD Single : A 128 SER OG : rot 180:sc= 0.127 USER MOD Single : A 129 MET CE :methyl 162:sc= -0.0832 (180deg=-0.532) USER MOD Single : A 130 GLN : amide:sc= 1.54 K(o=1.5,f=-8.3!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 168:sc= 0.0141 USER MOD Single : A 135 LYS NZ :NH3+ -152:sc= 1.07 (180deg=0.567) USER MOD Single : A 140 TYR OH : rot 87:sc= 0.00747 USER MOD Single : A 141 ASN : amide:sc= -0.432 K(o=-0.43,f=-1.6!) USER MOD Single : A 148 HIS : no HD1:sc= -0.0198 X(o=-0.02,f=0) USER MOD Single : A 153 LYS NZ :NH3+ 166:sc=-0.00625 (180deg=-0.161) USER MOD Single : A 157 GLN : amide:sc= -0.775 K(o=-0.77,f=-0.12) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 HIS : no HE2:sc= -1.09 K(o=-1.1,f=-3.3) USER MOD Single : A 165 GLN : amide:sc= -1.28 X(o=-1.3,f=-1.2) USER MOD Single : A 166 SER OG : rot 116:sc= 1.41 USER MOD Single : A 168 SER OG : rot 180:sc= -0.0667 USER MOD Single : A 170 MET CE :methyl -178:sc= -3.49! (180deg=-3.5!) USER MOD Single : A 173 SER OG : rot -43:sc= 0.476 USER MOD Single : A 177 LYS NZ :NH3+ -173:sc= -0.103 (180deg=-0.182) USER MOD Single : A 179 GLN : amide:sc= -0.435 K(o=-0.43,f=-2.8) USER MOD Single : A 180 GLN : amide:sc= -0.0029 X(o=-0.0029,f=-0.17) USER MOD Single : A 183 SER OG : rot 180:sc=-0.00833 USER MOD Single : A 185 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : B 1 A O2' : rot 80:sc= 0.314 USER MOD Single : B 1 A O5' : rot -32:sc=0.000564 USER MOD Single : B 3 G O2' : rot 172:sc= 0.58 USER MOD Single : B 5 G O2' : rot 24:sc= 0.144 USER MOD Single : B 6 A O2' : rot 22:sc= 0.198 USER MOD Single : B 7 U O2' : rot 147:sc= 0.445 USER MOD Single : B 7 U O3' : rot 131:sc= 0.112 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 124 9.817 -4.349 -1.346 1.00 0.00 N ATOM 2 CA PRO A 124 10.757 -4.230 -2.473 1.00 0.00 C ATOM 3 C PRO A 124 11.314 -5.593 -2.875 1.00 0.00 C ATOM 4 O PRO A 124 11.321 -6.532 -2.077 1.00 0.00 O ATOM 5 CB PRO A 124 11.891 -3.299 -2.020 1.00 0.00 C ATOM 6 CG PRO A 124 11.722 -3.172 -0.505 1.00 0.00 C ATOM 7 CD PRO A 124 10.690 -4.239 -0.170 1.00 0.00 C ATOM 0 HA PRO A 124 10.247 -3.827 -3.348 1.00 0.00 H new ATOM 0 HB2 PRO A 124 12.867 -3.713 -2.274 1.00 0.00 H new ATOM 0 HB3 PRO A 124 11.821 -2.327 -2.507 1.00 0.00 H new ATOM 0 HG2 PRO A 124 12.662 -3.345 0.019 1.00 0.00 H new ATOM 0 HG3 PRO A 124 11.377 -2.178 -0.222 1.00 0.00 H new ATOM 0 HD2 PRO A 124 11.172 -5.192 0.047 1.00 0.00 H new ATOM 0 HD3 PRO A 124 10.117 -3.962 0.715 1.00 0.00 H new ATOM 15 N LYS A 125 11.786 -5.700 -4.119 1.00 0.00 N ATOM 16 CA LYS A 125 12.319 -6.953 -4.639 1.00 0.00 C ATOM 17 C LYS A 125 13.331 -6.730 -5.767 1.00 0.00 C ATOM 18 O LYS A 125 14.091 -7.638 -6.091 1.00 0.00 O ATOM 19 CB LYS A 125 11.134 -7.793 -5.127 1.00 0.00 C ATOM 20 CG LYS A 125 11.564 -9.188 -5.584 1.00 0.00 C ATOM 21 CD LYS A 125 10.313 -10.023 -5.843 1.00 0.00 C ATOM 22 CE LYS A 125 10.699 -11.411 -6.353 1.00 0.00 C ATOM 23 NZ LYS A 125 9.506 -12.261 -6.511 1.00 0.00 N ATOM 0 H LYS A 125 11.808 -4.928 -4.785 1.00 0.00 H new ATOM 0 HA LYS A 125 12.861 -7.471 -3.848 1.00 0.00 H new ATOM 0 HB2 LYS A 125 10.401 -7.885 -4.325 1.00 0.00 H new ATOM 0 HB3 LYS A 125 10.641 -7.278 -5.952 1.00 0.00 H new ATOM 0 HG2 LYS A 125 12.168 -9.120 -6.489 1.00 0.00 H new ATOM 0 HG3 LYS A 125 12.184 -9.661 -4.822 1.00 0.00 H new ATOM 0 HD2 LYS A 125 9.732 -10.114 -4.926 1.00 0.00 H new ATOM 0 HD3 LYS A 125 9.678 -9.523 -6.574 1.00 0.00 H new ATOM 0 HE2 LYS A 125 11.216 -11.321 -7.308 1.00 0.00 H new ATOM 0 HE3 LYS A 125 11.395 -11.879 -5.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 9.791 -13.199 -6.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 9.028 -12.362 -5.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 8.855 -11.823 -7.194 1.00 0.00 H new ATOM 37 N GLY A 126 13.355 -5.535 -6.362 1.00 0.00 N ATOM 38 CA GLY A 126 14.290 -5.231 -7.437 1.00 0.00 C ATOM 39 C GLY A 126 13.877 -3.982 -8.212 1.00 0.00 C ATOM 40 O GLY A 126 13.031 -3.215 -7.754 1.00 0.00 O ATOM 0 H GLY A 126 12.735 -4.764 -6.114 1.00 0.00 H new ATOM 0 HA2 GLY A 126 15.287 -5.088 -7.021 1.00 0.00 H new ATOM 0 HA3 GLY A 126 14.348 -6.079 -8.119 1.00 0.00 H new ATOM 44 N LYS A 127 14.486 -3.800 -9.389 1.00 0.00 N ATOM 45 CA LYS A 127 14.228 -2.700 -10.310 1.00 0.00 C ATOM 46 C LYS A 127 14.511 -1.327 -9.703 1.00 0.00 C ATOM 47 O LYS A 127 14.735 -1.199 -8.501 1.00 0.00 O ATOM 48 CB LYS A 127 12.785 -2.789 -10.799 1.00 0.00 C ATOM 49 CG LYS A 127 12.467 -4.167 -11.379 1.00 0.00 C ATOM 50 CD LYS A 127 10.979 -4.279 -11.702 1.00 0.00 C ATOM 51 CE LYS A 127 10.564 -3.206 -12.706 1.00 0.00 C ATOM 52 NZ LYS A 127 9.111 -3.235 -12.928 1.00 0.00 N ATOM 0 H LYS A 127 15.199 -4.443 -9.735 1.00 0.00 H new ATOM 0 HA LYS A 127 14.918 -2.801 -11.148 1.00 0.00 H new ATOM 0 HB2 LYS A 127 12.107 -2.577 -9.972 1.00 0.00 H new ATOM 0 HB3 LYS A 127 12.610 -2.026 -11.558 1.00 0.00 H new ATOM 0 HG2 LYS A 127 13.055 -4.333 -12.282 1.00 0.00 H new ATOM 0 HG3 LYS A 127 12.750 -4.942 -10.667 1.00 0.00 H new ATOM 0 HD2 LYS A 127 10.763 -5.267 -12.108 1.00 0.00 H new ATOM 0 HD3 LYS A 127 10.394 -4.175 -10.788 1.00 0.00 H new ATOM 0 HE2 LYS A 127 10.861 -2.224 -12.339 1.00 0.00 H new ATOM 0 HE3 LYS A 127 11.084 -3.364 -13.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 8.874 -2.647 -13.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 8.806 -4.214 -13.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 8.624 -2.865 -12.087 1.00 0.00 H new ATOM 66 N SER A 128 14.491 -0.302 -10.562 1.00 0.00 N ATOM 67 CA SER A 128 14.745 1.096 -10.230 1.00 0.00 C ATOM 68 C SER A 128 16.014 1.307 -9.398 1.00 0.00 C ATOM 69 O SER A 128 16.775 0.378 -9.148 1.00 0.00 O ATOM 70 CB SER A 128 13.502 1.687 -9.562 1.00 0.00 C ATOM 71 OG SER A 128 13.552 3.097 -9.598 1.00 0.00 O ATOM 0 H SER A 128 14.287 -0.435 -11.553 1.00 0.00 H new ATOM 0 HA SER A 128 14.940 1.632 -11.159 1.00 0.00 H new ATOM 0 HB2 SER A 128 12.605 1.335 -10.071 1.00 0.00 H new ATOM 0 HB3 SER A 128 13.438 1.345 -8.529 1.00 0.00 H new ATOM 0 HG SER A 128 12.751 3.464 -9.169 1.00 0.00 H new ATOM 77 N MET A 129 16.249 2.548 -8.969 1.00 0.00 N ATOM 78 CA MET A 129 17.424 2.915 -8.194 1.00 0.00 C ATOM 79 C MET A 129 17.192 4.247 -7.482 1.00 0.00 C ATOM 80 O MET A 129 16.111 4.822 -7.571 1.00 0.00 O ATOM 81 CB MET A 129 18.639 2.999 -9.122 1.00 0.00 C ATOM 82 CG MET A 129 18.461 4.062 -10.205 1.00 0.00 C ATOM 83 SD MET A 129 19.899 4.243 -11.301 1.00 0.00 S ATOM 84 CE MET A 129 19.920 2.589 -12.034 1.00 0.00 C ATOM 0 H MET A 129 15.621 3.330 -9.154 1.00 0.00 H new ATOM 0 HA MET A 129 17.611 2.155 -7.435 1.00 0.00 H new ATOM 0 HB2 MET A 129 19.529 3.226 -8.534 1.00 0.00 H new ATOM 0 HB3 MET A 129 18.805 2.029 -9.590 1.00 0.00 H new ATOM 0 HG2 MET A 129 17.587 3.811 -10.806 1.00 0.00 H new ATOM 0 HG3 MET A 129 18.256 5.021 -9.729 1.00 0.00 H new ATOM 0 HE1 MET A 129 20.516 2.603 -12.947 1.00 0.00 H new ATOM 0 HE2 MET A 129 20.356 1.883 -11.327 1.00 0.00 H new ATOM 0 HE3 MET A 129 18.901 2.283 -12.271 1.00 0.00 H new ATOM 94 N GLN A 130 18.219 4.732 -6.777 1.00 0.00 N ATOM 95 CA GLN A 130 18.205 5.967 -6.002 1.00 0.00 C ATOM 96 C GLN A 130 17.146 5.975 -4.897 1.00 0.00 C ATOM 97 O GLN A 130 16.271 5.110 -4.839 1.00 0.00 O ATOM 98 CB GLN A 130 18.032 7.145 -6.970 1.00 0.00 C ATOM 99 CG GLN A 130 19.287 8.015 -7.024 1.00 0.00 C ATOM 100 CD GLN A 130 19.544 8.730 -5.709 1.00 0.00 C ATOM 101 OE1 GLN A 130 18.615 9.213 -5.068 1.00 0.00 O ATOM 102 NE2 GLN A 130 20.804 8.803 -5.288 1.00 0.00 N ATOM 0 H GLN A 130 19.118 4.252 -6.732 1.00 0.00 H new ATOM 0 HA GLN A 130 19.155 6.056 -5.476 1.00 0.00 H new ATOM 0 HB2 GLN A 130 17.807 6.767 -7.967 1.00 0.00 H new ATOM 0 HB3 GLN A 130 17.181 7.751 -6.659 1.00 0.00 H new ATOM 0 HG2 GLN A 130 20.148 7.394 -7.273 1.00 0.00 H new ATOM 0 HG3 GLN A 130 19.184 8.750 -7.822 1.00 0.00 H new ATOM 0 HE21 GLN A 130 21.553 8.391 -5.845 1.00 0.00 H new ATOM 0 HE22 GLN A 130 21.021 9.271 -4.408 1.00 0.00 H new ATOM 111 N LYS A 131 17.221 6.971 -4.005 1.00 0.00 N ATOM 112 CA LYS A 131 16.308 7.103 -2.870 1.00 0.00 C ATOM 113 C LYS A 131 15.955 8.565 -2.613 1.00 0.00 C ATOM 114 O LYS A 131 14.907 8.849 -2.039 1.00 0.00 O ATOM 115 CB LYS A 131 16.976 6.556 -1.600 1.00 0.00 C ATOM 116 CG LYS A 131 17.323 5.065 -1.640 1.00 0.00 C ATOM 117 CD LYS A 131 16.170 4.165 -1.182 1.00 0.00 C ATOM 118 CE LYS A 131 14.952 4.235 -2.099 1.00 0.00 C ATOM 119 NZ LYS A 131 13.967 3.204 -1.737 1.00 0.00 N ATOM 0 H LYS A 131 17.922 7.710 -4.054 1.00 0.00 H new ATOM 0 HA LYS A 131 15.404 6.544 -3.110 1.00 0.00 H new ATOM 0 HB2 LYS A 131 17.890 7.121 -1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 131 16.314 6.737 -0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 131 17.607 4.792 -2.656 1.00 0.00 H new ATOM 0 HG3 LYS A 131 18.191 4.883 -1.006 1.00 0.00 H new ATOM 0 HD2 LYS A 131 16.520 3.134 -1.132 1.00 0.00 H new ATOM 0 HD3 LYS A 131 15.874 4.450 -0.173 1.00 0.00 H new ATOM 0 HE2 LYS A 131 14.495 5.222 -2.029 1.00 0.00 H new ATOM 0 HE3 LYS A 131 15.263 4.100 -3.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 13.147 3.269 -2.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 14.401 2.263 -1.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 13.656 3.350 -0.755 1.00 0.00 H new ATOM 133 N ARG A 132 16.819 9.495 -3.041 1.00 0.00 N ATOM 134 CA ARG A 132 16.622 10.920 -2.813 1.00 0.00 C ATOM 135 C ARG A 132 15.743 11.528 -3.896 1.00 0.00 C ATOM 136 O ARG A 132 15.063 12.529 -3.671 1.00 0.00 O ATOM 137 CB ARG A 132 17.994 11.594 -2.742 1.00 0.00 C ATOM 138 CG ARG A 132 17.928 12.982 -2.098 1.00 0.00 C ATOM 139 CD ARG A 132 17.631 14.101 -3.100 1.00 0.00 C ATOM 140 NE ARG A 132 17.101 15.275 -2.407 1.00 0.00 N ATOM 141 CZ ARG A 132 17.797 16.369 -2.084 1.00 0.00 C ATOM 142 NH1 ARG A 132 19.088 16.484 -2.373 1.00 0.00 N ATOM 143 NH2 ARG A 132 17.175 17.366 -1.464 1.00 0.00 N ATOM 0 H ARG A 132 17.672 9.274 -3.554 1.00 0.00 H new ATOM 0 HA ARG A 132 16.100 11.079 -1.869 1.00 0.00 H new ATOM 0 HB2 ARG A 132 18.677 10.964 -2.172 1.00 0.00 H new ATOM 0 HB3 ARG A 132 18.406 11.682 -3.748 1.00 0.00 H new ATOM 0 HG2 ARG A 132 17.158 12.981 -1.327 1.00 0.00 H new ATOM 0 HG3 ARG A 132 18.876 13.190 -1.602 1.00 0.00 H new ATOM 0 HD2 ARG A 132 18.541 14.368 -3.638 1.00 0.00 H new ATOM 0 HD3 ARG A 132 16.912 13.753 -3.842 1.00 0.00 H new ATOM 0 HE ARG A 132 16.115 15.257 -2.148 1.00 0.00 H new ATOM 0 HH11 ARG A 132 19.573 15.726 -2.853 1.00 0.00 H new ATOM 0 HH12 ARG A 132 19.595 17.331 -2.115 1.00 0.00 H new ATOM 0 HH21 ARG A 132 16.182 17.289 -1.242 1.00 0.00 H new ATOM 0 HH22 ARG A 132 17.690 18.209 -1.210 1.00 0.00 H new ATOM 157 N ARG A 133 15.771 10.901 -5.071 1.00 0.00 N ATOM 158 CA ARG A 133 15.023 11.324 -6.248 1.00 0.00 C ATOM 159 C ARG A 133 14.152 10.192 -6.784 1.00 0.00 C ATOM 160 O ARG A 133 13.661 10.257 -7.910 1.00 0.00 O ATOM 161 CB ARG A 133 15.968 11.868 -7.317 1.00 0.00 C ATOM 162 CG ARG A 133 16.905 10.767 -7.816 1.00 0.00 C ATOM 163 CD ARG A 133 17.211 11.037 -9.288 1.00 0.00 C ATOM 164 NE ARG A 133 17.983 12.266 -9.474 1.00 0.00 N ATOM 165 CZ ARG A 133 18.279 12.783 -10.666 1.00 0.00 C ATOM 166 NH1 ARG A 133 17.862 12.203 -11.790 1.00 0.00 N ATOM 167 NH2 ARG A 133 19.000 13.894 -10.741 1.00 0.00 N ATOM 0 H ARG A 133 16.330 10.063 -5.232 1.00 0.00 H new ATOM 0 HA ARG A 133 14.352 12.132 -5.957 1.00 0.00 H new ATOM 0 HB2 ARG A 133 15.391 12.268 -8.151 1.00 0.00 H new ATOM 0 HB3 ARG A 133 16.552 12.693 -6.909 1.00 0.00 H new ATOM 0 HG2 ARG A 133 17.825 10.756 -7.232 1.00 0.00 H new ATOM 0 HG3 ARG A 133 16.440 9.788 -7.697 1.00 0.00 H new ATOM 0 HD2 ARG A 133 17.765 10.195 -9.703 1.00 0.00 H new ATOM 0 HD3 ARG A 133 16.277 11.109 -9.845 1.00 0.00 H new ATOM 0 HE ARG A 133 18.314 12.756 -8.643 1.00 0.00 H new ATOM 0 HH11 ARG A 133 17.306 11.349 -11.747 1.00 0.00 H new ATOM 0 HH12 ARG A 133 18.098 12.613 -12.694 1.00 0.00 H new ATOM 0 HH21 ARG A 133 19.326 14.349 -9.888 1.00 0.00 H new ATOM 0 HH22 ARG A 133 19.229 14.293 -11.651 1.00 0.00 H new ATOM 181 N SER A 134 13.975 9.162 -5.964 1.00 0.00 N ATOM 182 CA SER A 134 13.185 7.990 -6.303 1.00 0.00 C ATOM 183 C SER A 134 12.573 7.403 -5.040 1.00 0.00 C ATOM 184 O SER A 134 13.033 7.687 -3.934 1.00 0.00 O ATOM 185 CB SER A 134 14.082 6.940 -6.963 1.00 0.00 C ATOM 186 OG SER A 134 14.656 7.455 -8.144 1.00 0.00 O ATOM 0 H SER A 134 14.384 9.120 -5.031 1.00 0.00 H new ATOM 0 HA SER A 134 12.392 8.280 -6.992 1.00 0.00 H new ATOM 0 HB2 SER A 134 14.868 6.638 -6.271 1.00 0.00 H new ATOM 0 HB3 SER A 134 13.499 6.048 -7.193 1.00 0.00 H new ATOM 0 HG SER A 134 15.366 6.854 -8.451 1.00 0.00 H new ATOM 192 N LYS A 135 11.533 6.589 -5.208 1.00 0.00 N ATOM 193 CA LYS A 135 10.895 5.882 -4.109 1.00 0.00 C ATOM 194 C LYS A 135 10.247 4.590 -4.604 1.00 0.00 C ATOM 195 O LYS A 135 9.672 3.844 -3.816 1.00 0.00 O ATOM 196 CB LYS A 135 9.895 6.825 -3.426 1.00 0.00 C ATOM 197 CG LYS A 135 9.449 6.263 -2.073 1.00 0.00 C ATOM 198 CD LYS A 135 8.832 7.358 -1.205 1.00 0.00 C ATOM 199 CE LYS A 135 7.573 7.941 -1.839 1.00 0.00 C ATOM 200 NZ LYS A 135 7.002 8.993 -0.983 1.00 0.00 N ATOM 0 H LYS A 135 11.110 6.403 -6.117 1.00 0.00 H new ATOM 0 HA LYS A 135 11.638 5.585 -3.369 1.00 0.00 H new ATOM 0 HB2 LYS A 135 10.351 7.805 -3.285 1.00 0.00 H new ATOM 0 HB3 LYS A 135 9.026 6.968 -4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 135 8.724 5.464 -2.228 1.00 0.00 H new ATOM 0 HG3 LYS A 135 10.303 5.823 -1.558 1.00 0.00 H new ATOM 0 HD2 LYS A 135 8.590 6.950 -0.224 1.00 0.00 H new ATOM 0 HD3 LYS A 135 9.562 8.152 -1.049 1.00 0.00 H new ATOM 0 HE2 LYS A 135 7.810 8.352 -2.820 1.00 0.00 H new ATOM 0 HE3 LYS A 135 6.838 7.151 -1.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 5.975 9.047 -1.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 7.191 8.769 0.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 7.436 9.908 -1.221 1.00 0.00 H new ATOM 214 N GLY A 136 10.336 4.319 -5.910 1.00 0.00 N ATOM 215 CA GLY A 136 9.825 3.099 -6.512 1.00 0.00 C ATOM 216 C GLY A 136 8.316 2.930 -6.331 1.00 0.00 C ATOM 217 O GLY A 136 7.809 1.828 -6.526 1.00 0.00 O ATOM 0 H GLY A 136 10.771 4.953 -6.580 1.00 0.00 H new ATOM 0 HA2 GLY A 136 10.060 3.100 -7.576 1.00 0.00 H new ATOM 0 HA3 GLY A 136 10.336 2.242 -6.073 1.00 0.00 H new ATOM 221 N ASP A 137 7.597 3.997 -5.959 1.00 0.00 N ATOM 222 CA ASP A 137 6.166 3.917 -5.731 1.00 0.00 C ATOM 223 C ASP A 137 5.429 3.616 -7.031 1.00 0.00 C ATOM 224 O ASP A 137 6.023 3.616 -8.108 1.00 0.00 O ATOM 225 CB ASP A 137 5.657 5.221 -5.114 1.00 0.00 C ATOM 226 CG ASP A 137 4.603 4.972 -4.042 1.00 0.00 C ATOM 227 OD1 ASP A 137 3.816 4.015 -4.212 1.00 0.00 O ATOM 228 OD2 ASP A 137 4.593 5.740 -3.055 1.00 0.00 O ATOM 0 H ASP A 137 7.994 4.925 -5.812 1.00 0.00 H new ATOM 0 HA ASP A 137 5.971 3.102 -5.034 1.00 0.00 H new ATOM 0 HB2 ASP A 137 6.494 5.767 -4.679 1.00 0.00 H new ATOM 0 HB3 ASP A 137 5.236 5.852 -5.897 1.00 0.00 H new ATOM 233 N ARG A 138 4.125 3.364 -6.922 1.00 0.00 N ATOM 234 CA ARG A 138 3.300 2.920 -8.039 1.00 0.00 C ATOM 235 C ARG A 138 1.912 3.551 -7.945 1.00 0.00 C ATOM 236 O ARG A 138 1.637 4.294 -7.006 1.00 0.00 O ATOM 237 CB ARG A 138 3.225 1.390 -7.990 1.00 0.00 C ATOM 238 CG ARG A 138 4.529 0.776 -8.518 1.00 0.00 C ATOM 239 CD ARG A 138 4.561 -0.745 -8.398 1.00 0.00 C ATOM 240 NE ARG A 138 4.314 -1.199 -7.024 1.00 0.00 N ATOM 241 CZ ARG A 138 5.256 -1.308 -6.087 1.00 0.00 C ATOM 242 NH1 ARG A 138 6.519 -0.990 -6.353 1.00 0.00 N ATOM 243 NH2 ARG A 138 4.937 -1.734 -4.872 1.00 0.00 N ATOM 0 H ARG A 138 3.610 3.464 -6.047 1.00 0.00 H new ATOM 0 HA ARG A 138 3.733 3.230 -8.990 1.00 0.00 H new ATOM 0 HB2 ARG A 138 3.048 1.060 -6.966 1.00 0.00 H new ATOM 0 HB3 ARG A 138 2.383 1.041 -8.587 1.00 0.00 H new ATOM 0 HG2 ARG A 138 4.659 1.056 -9.563 1.00 0.00 H new ATOM 0 HG3 ARG A 138 5.371 1.196 -7.968 1.00 0.00 H new ATOM 0 HD2 ARG A 138 3.811 -1.176 -9.061 1.00 0.00 H new ATOM 0 HD3 ARG A 138 5.531 -1.114 -8.732 1.00 0.00 H new ATOM 0 HE ARG A 138 3.358 -1.448 -6.769 1.00 0.00 H new ATOM 0 HH11 ARG A 138 6.776 -0.658 -7.283 1.00 0.00 H new ATOM 0 HH12 ARG A 138 7.231 -1.078 -5.628 1.00 0.00 H new ATOM 0 HH21 ARG A 138 3.971 -1.978 -4.655 1.00 0.00 H new ATOM 0 HH22 ARG A 138 5.658 -1.817 -4.155 1.00 0.00 H new ATOM 257 N CYS A 139 1.044 3.260 -8.919 1.00 0.00 N ATOM 258 CA CYS A 139 -0.351 3.667 -8.923 1.00 0.00 C ATOM 259 C CYS A 139 -0.942 3.459 -7.531 1.00 0.00 C ATOM 260 O CYS A 139 -1.066 2.329 -7.052 1.00 0.00 O ATOM 261 CB CYS A 139 -1.083 2.873 -10.017 1.00 0.00 C ATOM 262 SG CYS A 139 -2.874 2.907 -9.781 1.00 0.00 S ATOM 0 H CYS A 139 1.306 2.721 -9.744 1.00 0.00 H new ATOM 0 HA CYS A 139 -0.461 4.727 -9.154 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -0.837 3.288 -10.994 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -0.735 1.840 -10.012 1.00 0.00 H new ATOM 267 N TYR A 140 -1.307 4.567 -6.883 1.00 0.00 N ATOM 268 CA TYR A 140 -1.886 4.570 -5.548 1.00 0.00 C ATOM 269 C TYR A 140 -3.240 3.862 -5.512 1.00 0.00 C ATOM 270 O TYR A 140 -3.873 3.822 -4.458 1.00 0.00 O ATOM 271 CB TYR A 140 -2.053 6.015 -5.056 1.00 0.00 C ATOM 272 CG TYR A 140 -0.797 6.830 -4.833 1.00 0.00 C ATOM 273 CD1 TYR A 140 0.461 6.223 -4.711 1.00 0.00 C ATOM 274 CD2 TYR A 140 -0.908 8.230 -4.744 1.00 0.00 C ATOM 275 CE1 TYR A 140 1.594 7.006 -4.473 1.00 0.00 C ATOM 276 CE2 TYR A 140 0.226 9.016 -4.512 1.00 0.00 C ATOM 277 CZ TYR A 140 1.486 8.406 -4.362 1.00 0.00 C ATOM 278 OH TYR A 140 2.591 9.160 -4.104 1.00 0.00 O ATOM 0 H TYR A 140 -1.205 5.500 -7.282 1.00 0.00 H new ATOM 0 HA TYR A 140 -1.205 4.027 -4.893 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -2.674 6.546 -5.778 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -2.607 5.988 -4.118 1.00 0.00 H new ATOM 0 HD1 TYR A 140 0.554 5.151 -4.801 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -1.874 8.700 -4.855 1.00 0.00 H new ATOM 0 HE1 TYR A 140 2.560 6.534 -4.373 1.00 0.00 H new ATOM 0 HE2 TYR A 140 0.135 10.090 -4.448 1.00 0.00 H new ATOM 0 HH TYR A 140 3.034 9.390 -4.947 1.00 0.00 H new ATOM 288 N ASN A 141 -3.696 3.308 -6.640 1.00 0.00 N ATOM 289 CA ASN A 141 -5.014 2.703 -6.737 1.00 0.00 C ATOM 290 C ASN A 141 -4.964 1.212 -7.066 1.00 0.00 C ATOM 291 O ASN A 141 -5.866 0.488 -6.649 1.00 0.00 O ATOM 292 CB ASN A 141 -5.802 3.456 -7.808 1.00 0.00 C ATOM 293 CG ASN A 141 -7.255 3.009 -7.898 1.00 0.00 C ATOM 294 OD1 ASN A 141 -8.126 3.582 -7.258 1.00 0.00 O ATOM 295 ND2 ASN A 141 -7.528 1.981 -8.693 1.00 0.00 N ATOM 0 H ASN A 141 -3.158 3.270 -7.506 1.00 0.00 H new ATOM 0 HA ASN A 141 -5.499 2.780 -5.764 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -5.768 4.524 -7.593 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.322 3.310 -8.775 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -8.488 1.647 -8.784 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -6.778 1.525 -9.213 1.00 0.00 H new ATOM 302 N CYS A 142 -3.949 0.743 -7.804 1.00 0.00 N ATOM 303 CA CYS A 142 -3.827 -0.675 -8.121 1.00 0.00 C ATOM 304 C CYS A 142 -2.479 -1.241 -7.709 1.00 0.00 C ATOM 305 O CYS A 142 -2.391 -2.348 -7.182 1.00 0.00 O ATOM 306 CB CYS A 142 -4.118 -0.891 -9.604 1.00 0.00 C ATOM 307 SG CYS A 142 -2.730 -0.416 -10.652 1.00 0.00 S ATOM 0 H CYS A 142 -3.206 1.327 -8.189 1.00 0.00 H new ATOM 0 HA CYS A 142 -4.565 -1.227 -7.540 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -4.357 -1.941 -9.776 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -4.998 -0.313 -9.887 1.00 0.00 H new ATOM 312 N GLY A 143 -1.429 -0.457 -7.965 1.00 0.00 N ATOM 313 CA GLY A 143 -0.060 -0.870 -7.712 1.00 0.00 C ATOM 314 C GLY A 143 0.686 -1.096 -9.027 1.00 0.00 C ATOM 315 O GLY A 143 1.696 -1.792 -9.042 1.00 0.00 O ATOM 0 H GLY A 143 -1.512 0.482 -8.354 1.00 0.00 H new ATOM 0 HA2 GLY A 143 0.452 -0.109 -7.123 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -0.054 -1.787 -7.122 1.00 0.00 H new ATOM 319 N GLY A 144 0.198 -0.513 -10.125 1.00 0.00 N ATOM 320 CA GLY A 144 0.850 -0.580 -11.426 1.00 0.00 C ATOM 321 C GLY A 144 1.891 0.526 -11.563 1.00 0.00 C ATOM 322 O GLY A 144 1.887 1.486 -10.800 1.00 0.00 O ATOM 0 H GLY A 144 -0.670 0.023 -10.131 1.00 0.00 H new ATOM 0 HA2 GLY A 144 1.326 -1.552 -11.550 1.00 0.00 H new ATOM 0 HA3 GLY A 144 0.106 -0.486 -12.217 1.00 0.00 H new ATOM 326 N LEU A 145 2.793 0.400 -12.537 1.00 0.00 N ATOM 327 CA LEU A 145 3.926 1.306 -12.678 1.00 0.00 C ATOM 328 C LEU A 145 3.865 2.070 -13.990 1.00 0.00 C ATOM 329 O LEU A 145 4.549 3.078 -14.168 1.00 0.00 O ATOM 330 CB LEU A 145 5.259 0.552 -12.619 1.00 0.00 C ATOM 331 CG LEU A 145 5.157 -0.947 -12.905 1.00 0.00 C ATOM 332 CD1 LEU A 145 6.532 -1.478 -13.279 1.00 0.00 C ATOM 333 CD2 LEU A 145 4.699 -1.681 -11.647 1.00 0.00 C ATOM 0 H LEU A 145 2.756 -0.332 -13.247 1.00 0.00 H new ATOM 0 HA LEU A 145 3.866 2.005 -11.844 1.00 0.00 H new ATOM 0 HB2 LEU A 145 5.946 0.999 -13.337 1.00 0.00 H new ATOM 0 HB3 LEU A 145 5.696 0.691 -11.630 1.00 0.00 H new ATOM 0 HG LEU A 145 4.446 -1.106 -13.716 1.00 0.00 H new ATOM 0 HD11 LEU A 145 6.466 -2.546 -13.484 1.00 0.00 H new ATOM 0 HD12 LEU A 145 6.893 -0.960 -14.167 1.00 0.00 H new ATOM 0 HD13 LEU A 145 7.224 -1.309 -12.454 1.00 0.00 H new ATOM 0 HD21 LEU A 145 4.627 -2.749 -11.854 1.00 0.00 H new ATOM 0 HD22 LEU A 145 5.419 -1.514 -10.846 1.00 0.00 H new ATOM 0 HD23 LEU A 145 3.723 -1.305 -11.341 1.00 0.00 H new ATOM 345 N ASP A 146 3.043 1.586 -14.915 1.00 0.00 N ATOM 346 CA ASP A 146 2.897 2.199 -16.225 1.00 0.00 C ATOM 347 C ASP A 146 1.896 3.364 -16.178 1.00 0.00 C ATOM 348 O ASP A 146 1.629 3.994 -17.205 1.00 0.00 O ATOM 349 CB ASP A 146 2.458 1.096 -17.185 1.00 0.00 C ATOM 350 CG ASP A 146 2.206 1.612 -18.592 1.00 0.00 C ATOM 351 OD1 ASP A 146 3.194 2.026 -19.239 1.00 0.00 O ATOM 352 OD2 ASP A 146 1.025 1.585 -19.007 1.00 0.00 O ATOM 0 H ASP A 146 2.462 0.760 -14.776 1.00 0.00 H new ATOM 0 HA ASP A 146 3.838 2.632 -16.565 1.00 0.00 H new ATOM 0 HB2 ASP A 146 3.224 0.322 -17.218 1.00 0.00 H new ATOM 0 HB3 ASP A 146 1.549 0.629 -16.805 1.00 0.00 H new ATOM 357 N HIS A 147 1.338 3.660 -15.005 1.00 0.00 N ATOM 358 CA HIS A 147 0.321 4.690 -14.852 1.00 0.00 C ATOM 359 C HIS A 147 0.230 5.147 -13.395 1.00 0.00 C ATOM 360 O HIS A 147 1.054 4.761 -12.561 1.00 0.00 O ATOM 361 CB HIS A 147 -1.017 4.117 -15.324 1.00 0.00 C ATOM 362 CG HIS A 147 -1.477 2.936 -14.513 1.00 0.00 C ATOM 363 ND1 HIS A 147 -1.108 1.622 -14.693 1.00 0.00 N ATOM 364 CD2 HIS A 147 -2.336 2.970 -13.452 1.00 0.00 C ATOM 365 CE1 HIS A 147 -1.713 0.889 -13.744 1.00 0.00 C ATOM 366 NE2 HIS A 147 -2.493 1.668 -12.965 1.00 0.00 N ATOM 0 H HIS A 147 1.582 3.189 -14.134 1.00 0.00 H new ATOM 0 HA HIS A 147 0.583 5.562 -15.452 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -1.776 4.898 -15.278 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -0.929 3.819 -16.369 1.00 0.00 H new ATOM 0 HD1 HIS A 147 -0.485 1.268 -15.419 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -2.814 3.854 -13.055 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -1.592 -0.177 -13.621 1.00 0.00 H new ATOM 374 N HIS A 148 -0.780 5.965 -13.083 1.00 0.00 N ATOM 375 CA HIS A 148 -1.037 6.451 -11.734 1.00 0.00 C ATOM 376 C HIS A 148 -2.500 6.226 -11.350 1.00 0.00 C ATOM 377 O HIS A 148 -3.323 5.893 -12.197 1.00 0.00 O ATOM 378 CB HIS A 148 -0.687 7.941 -11.639 1.00 0.00 C ATOM 379 CG HIS A 148 0.785 8.225 -11.747 1.00 0.00 C ATOM 380 ND1 HIS A 148 1.364 9.177 -12.588 1.00 0.00 N ATOM 381 CD2 HIS A 148 1.766 7.600 -11.035 1.00 0.00 C ATOM 382 CE1 HIS A 148 2.684 9.098 -12.359 1.00 0.00 C ATOM 383 NE2 HIS A 148 2.955 8.160 -11.434 1.00 0.00 N ATOM 0 H HIS A 148 -1.448 6.310 -13.773 1.00 0.00 H new ATOM 0 HA HIS A 148 -0.410 5.894 -11.038 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -1.211 8.479 -12.429 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -1.055 8.331 -10.690 1.00 0.00 H new ATOM 0 HD2 HIS A 148 1.634 6.818 -10.302 1.00 0.00 H new ATOM 0 HE1 HIS A 148 3.429 9.706 -12.851 1.00 0.00 H new ATOM 0 HE2 HIS A 148 3.881 7.909 -11.089 1.00 0.00 H new ATOM 391 N ALA A 149 -2.831 6.414 -10.070 1.00 0.00 N ATOM 392 CA ALA A 149 -4.153 6.141 -9.523 1.00 0.00 C ATOM 393 C ALA A 149 -5.268 6.852 -10.267 1.00 0.00 C ATOM 394 O ALA A 149 -6.355 6.306 -10.417 1.00 0.00 O ATOM 395 CB ALA A 149 -4.144 6.558 -8.059 1.00 0.00 C ATOM 0 H ALA A 149 -2.172 6.767 -9.376 1.00 0.00 H new ATOM 0 HA ALA A 149 -4.358 5.076 -9.633 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -5.123 6.366 -7.620 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -3.387 5.986 -7.522 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -3.916 7.621 -7.985 1.00 0.00 H new ATOM 401 N LYS A 150 -5.005 8.075 -10.734 1.00 0.00 N ATOM 402 CA LYS A 150 -5.969 8.866 -11.487 1.00 0.00 C ATOM 403 C LYS A 150 -6.181 8.315 -12.888 1.00 0.00 C ATOM 404 O LYS A 150 -7.182 8.620 -13.537 1.00 0.00 O ATOM 405 CB LYS A 150 -5.459 10.302 -11.538 1.00 0.00 C ATOM 406 CG LYS A 150 -4.048 10.385 -12.137 1.00 0.00 C ATOM 407 CD LYS A 150 -3.354 11.672 -11.703 1.00 0.00 C ATOM 408 CE LYS A 150 -3.112 11.637 -10.196 1.00 0.00 C ATOM 409 NZ LYS A 150 -2.577 12.925 -9.722 1.00 0.00 N ATOM 0 H LYS A 150 -4.109 8.543 -10.597 1.00 0.00 H new ATOM 0 HA LYS A 150 -6.939 8.825 -10.991 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -6.142 10.909 -12.132 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.452 10.721 -10.532 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -3.461 9.524 -11.818 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.106 10.346 -13.225 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.407 11.783 -12.232 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.968 12.534 -11.964 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -4.045 11.413 -9.678 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -2.413 10.836 -9.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -2.704 12.996 -8.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -1.564 12.986 -9.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -3.085 13.704 -10.187 1.00 0.00 H new ATOM 423 N GLU A 151 -5.237 7.498 -13.354 1.00 0.00 N ATOM 424 CA GLU A 151 -5.313 6.866 -14.666 1.00 0.00 C ATOM 425 C GLU A 151 -5.758 5.410 -14.559 1.00 0.00 C ATOM 426 O GLU A 151 -6.018 4.769 -15.579 1.00 0.00 O ATOM 427 CB GLU A 151 -3.939 6.903 -15.330 1.00 0.00 C ATOM 428 CG GLU A 151 -3.291 8.281 -15.227 1.00 0.00 C ATOM 429 CD GLU A 151 -2.048 8.352 -16.098 1.00 0.00 C ATOM 430 OE1 GLU A 151 -1.050 7.682 -15.740 1.00 0.00 O ATOM 431 OE2 GLU A 151 -2.090 9.077 -17.118 1.00 0.00 O ATOM 0 H GLU A 151 -4.397 7.257 -12.829 1.00 0.00 H new ATOM 0 HA GLU A 151 -6.045 7.416 -15.258 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -3.291 6.162 -14.863 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -4.036 6.626 -16.380 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -4.002 9.048 -15.535 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -3.028 8.489 -14.190 1.00 0.00 H new ATOM 438 N CYS A 152 -5.846 4.890 -13.334 1.00 0.00 N ATOM 439 CA CYS A 152 -6.202 3.512 -13.072 1.00 0.00 C ATOM 440 C CYS A 152 -7.585 3.169 -13.617 1.00 0.00 C ATOM 441 O CYS A 152 -8.378 4.054 -13.939 1.00 0.00 O ATOM 442 CB CYS A 152 -6.083 3.239 -11.577 1.00 0.00 C ATOM 443 SG CYS A 152 -5.683 1.490 -11.362 1.00 0.00 S ATOM 0 H CYS A 152 -5.667 5.431 -12.488 1.00 0.00 H new ATOM 0 HA CYS A 152 -5.507 2.858 -13.600 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -5.307 3.865 -11.135 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -7.016 3.482 -11.069 1.00 0.00 H new ATOM 448 N LYS A 153 -7.863 1.864 -13.717 1.00 0.00 N ATOM 449 CA LYS A 153 -9.047 1.363 -14.404 1.00 0.00 C ATOM 450 C LYS A 153 -9.820 0.324 -13.589 1.00 0.00 C ATOM 451 O LYS A 153 -10.797 -0.238 -14.078 1.00 0.00 O ATOM 452 CB LYS A 153 -8.659 0.836 -15.788 1.00 0.00 C ATOM 453 CG LYS A 153 -7.309 0.121 -15.818 1.00 0.00 C ATOM 454 CD LYS A 153 -7.307 -1.189 -15.031 1.00 0.00 C ATOM 455 CE LYS A 153 -8.152 -2.248 -15.732 1.00 0.00 C ATOM 456 NZ LYS A 153 -7.502 -2.726 -16.968 1.00 0.00 N ATOM 0 H LYS A 153 -7.272 1.132 -13.323 1.00 0.00 H new ATOM 0 HA LYS A 153 -9.736 2.199 -14.527 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -9.431 0.149 -16.135 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -8.634 1.669 -16.490 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -7.036 -0.084 -16.853 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -6.545 0.783 -15.412 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -6.284 -1.549 -14.920 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -7.694 -1.015 -14.027 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -8.317 -3.088 -15.058 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -9.132 -1.834 -15.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -7.970 -3.597 -17.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -7.579 -1.997 -17.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -6.498 -2.922 -16.779 1.00 0.00 H new ATOM 470 N LEU A 154 -9.379 0.069 -12.362 1.00 0.00 N ATOM 471 CA LEU A 154 -10.061 -0.814 -11.423 1.00 0.00 C ATOM 472 C LEU A 154 -10.461 -0.018 -10.184 1.00 0.00 C ATOM 473 O LEU A 154 -9.999 1.114 -10.011 1.00 0.00 O ATOM 474 CB LEU A 154 -9.173 -2.034 -11.126 1.00 0.00 C ATOM 475 CG LEU A 154 -7.703 -1.705 -10.900 1.00 0.00 C ATOM 476 CD1 LEU A 154 -7.583 -1.176 -9.483 1.00 0.00 C ATOM 477 CD2 LEU A 154 -6.879 -2.979 -11.014 1.00 0.00 C ATOM 0 H LEU A 154 -8.523 0.477 -11.986 1.00 0.00 H new ATOM 0 HA LEU A 154 -10.984 -1.208 -11.849 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -9.559 -2.542 -10.242 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -9.252 -2.736 -11.956 1.00 0.00 H new ATOM 0 HG LEU A 154 -7.348 -0.979 -11.632 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -6.543 -0.926 -9.275 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -8.199 -0.284 -9.374 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -7.921 -1.938 -8.780 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -5.826 -2.747 -10.853 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -7.212 -3.696 -10.263 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -7.008 -3.408 -12.008 1.00 0.00 H new ATOM 489 N PRO A 155 -11.305 -0.564 -9.300 1.00 0.00 N ATOM 490 CA PRO A 155 -11.736 0.121 -8.091 1.00 0.00 C ATOM 491 C PRO A 155 -10.542 0.314 -7.158 1.00 0.00 C ATOM 492 O PRO A 155 -9.498 -0.307 -7.364 1.00 0.00 O ATOM 493 CB PRO A 155 -12.824 -0.762 -7.487 1.00 0.00 C ATOM 494 CG PRO A 155 -12.492 -2.156 -8.012 1.00 0.00 C ATOM 495 CD PRO A 155 -11.913 -1.876 -9.395 1.00 0.00 C ATOM 0 HA PRO A 155 -12.131 1.119 -8.281 1.00 0.00 H new ATOM 0 HB2 PRO A 155 -12.807 -0.730 -6.398 1.00 0.00 H new ATOM 0 HB3 PRO A 155 -13.818 -0.443 -7.800 1.00 0.00 H new ATOM 0 HG2 PRO A 155 -11.775 -2.668 -7.371 1.00 0.00 H new ATOM 0 HG3 PRO A 155 -13.378 -2.788 -8.066 1.00 0.00 H new ATOM 0 HD2 PRO A 155 -11.177 -2.631 -9.673 1.00 0.00 H new ATOM 0 HD3 PRO A 155 -12.692 -1.894 -10.158 1.00 0.00 H new ATOM 503 N PRO A 156 -10.671 1.163 -6.134 1.00 0.00 N ATOM 504 CA PRO A 156 -9.562 1.532 -5.277 1.00 0.00 C ATOM 505 C PRO A 156 -9.071 0.362 -4.442 1.00 0.00 C ATOM 506 O PRO A 156 -9.611 0.070 -3.373 1.00 0.00 O ATOM 507 CB PRO A 156 -10.072 2.679 -4.407 1.00 0.00 C ATOM 508 CG PRO A 156 -11.582 2.467 -4.370 1.00 0.00 C ATOM 509 CD PRO A 156 -11.887 1.848 -5.738 1.00 0.00 C ATOM 0 HA PRO A 156 -8.697 1.837 -5.866 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -9.639 2.645 -3.407 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -9.815 3.649 -4.833 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -11.875 1.805 -3.555 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -12.116 3.406 -4.226 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -12.726 1.155 -5.677 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -12.160 2.614 -6.463 1.00 0.00 H new ATOM 517 N GLN A 157 -8.038 -0.319 -4.939 1.00 0.00 N ATOM 518 CA GLN A 157 -7.401 -1.386 -4.204 1.00 0.00 C ATOM 519 C GLN A 157 -6.721 -0.785 -2.985 1.00 0.00 C ATOM 520 O GLN A 157 -6.355 0.389 -2.991 1.00 0.00 O ATOM 521 CB GLN A 157 -6.342 -2.079 -5.068 1.00 0.00 C ATOM 522 CG GLN A 157 -6.912 -2.479 -6.424 1.00 0.00 C ATOM 523 CD GLN A 157 -8.069 -3.460 -6.317 1.00 0.00 C ATOM 524 OE1 GLN A 157 -7.973 -4.476 -5.630 1.00 0.00 O ATOM 525 NE2 GLN A 157 -9.163 -3.151 -6.998 1.00 0.00 N ATOM 0 H GLN A 157 -7.630 -0.140 -5.856 1.00 0.00 H new ATOM 0 HA GLN A 157 -8.152 -2.121 -3.912 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -5.492 -1.412 -5.210 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -5.970 -2.964 -4.552 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -7.249 -1.585 -6.948 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -6.121 -2.924 -7.028 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -9.193 -2.296 -7.554 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -9.975 -3.768 -6.966 1.00 0.00 H new ATOM 534 N PRO A 158 -6.539 -1.582 -1.934 1.00 0.00 N ATOM 535 CA PRO A 158 -5.833 -1.146 -0.752 1.00 0.00 C ATOM 536 C PRO A 158 -4.350 -1.076 -1.079 1.00 0.00 C ATOM 537 O PRO A 158 -3.768 -2.029 -1.599 1.00 0.00 O ATOM 538 CB PRO A 158 -6.126 -2.217 0.292 1.00 0.00 C ATOM 539 CG PRO A 158 -6.379 -3.483 -0.541 1.00 0.00 C ATOM 540 CD PRO A 158 -6.980 -2.954 -1.841 1.00 0.00 C ATOM 0 HA PRO A 158 -6.135 -0.162 -0.394 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -5.287 -2.349 0.976 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -6.994 -1.957 0.899 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -5.455 -4.033 -0.723 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -7.062 -4.165 -0.034 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -6.639 -3.536 -2.697 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -8.068 -3.017 -1.826 1.00 0.00 H new ATOM 548 N LYS A 159 -3.730 0.061 -0.770 1.00 0.00 N ATOM 549 CA LYS A 159 -2.306 0.242 -0.983 1.00 0.00 C ATOM 550 C LYS A 159 -1.574 -0.478 0.144 1.00 0.00 C ATOM 551 O LYS A 159 -1.613 -0.045 1.293 1.00 0.00 O ATOM 552 CB LYS A 159 -1.957 1.732 -1.128 1.00 0.00 C ATOM 553 CG LYS A 159 -2.429 2.620 0.023 1.00 0.00 C ATOM 554 CD LYS A 159 -2.134 4.096 -0.250 1.00 0.00 C ATOM 555 CE LYS A 159 -0.692 4.327 -0.711 1.00 0.00 C ATOM 556 NZ LYS A 159 -0.440 5.753 -0.985 1.00 0.00 N ATOM 0 H LYS A 159 -4.200 0.872 -0.369 1.00 0.00 H new ATOM 0 HA LYS A 159 -1.980 -0.201 -1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -0.875 1.829 -1.222 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -2.392 2.103 -2.056 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -3.500 2.484 0.173 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -1.936 2.314 0.946 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -2.820 4.466 -1.012 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -2.321 4.675 0.655 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -0.002 3.974 0.055 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -0.497 3.742 -1.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 0.423 5.849 -1.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -1.246 6.154 -1.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -0.319 6.263 -0.087 1.00 0.00 H new ATOM 570 N LYS A 160 -0.911 -1.586 -0.195 1.00 0.00 N ATOM 571 CA LYS A 160 -0.231 -2.433 0.779 1.00 0.00 C ATOM 572 C LYS A 160 1.126 -1.854 1.159 1.00 0.00 C ATOM 573 O LYS A 160 1.689 -1.028 0.440 1.00 0.00 O ATOM 574 CB LYS A 160 -0.012 -3.821 0.174 1.00 0.00 C ATOM 575 CG LYS A 160 -1.319 -4.557 -0.101 1.00 0.00 C ATOM 576 CD LYS A 160 -1.141 -5.607 -1.191 1.00 0.00 C ATOM 577 CE LYS A 160 -2.122 -5.280 -2.320 1.00 0.00 C ATOM 578 NZ LYS A 160 -1.980 -6.241 -3.421 1.00 0.00 N ATOM 0 H LYS A 160 -0.832 -1.919 -1.156 1.00 0.00 H new ATOM 0 HA LYS A 160 -0.854 -2.492 1.672 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.547 -3.723 -0.756 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.599 -4.416 0.852 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -1.670 -5.035 0.814 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.085 -3.843 -0.402 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -0.116 -5.602 -1.562 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -1.332 -6.605 -0.796 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -3.143 -5.302 -1.940 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -1.940 -4.270 -2.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -2.653 -6.004 -4.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -1.010 -6.200 -3.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -2.176 -7.201 -3.072 1.00 0.00 H new ATOM 592 N CYS A 161 1.640 -2.306 2.304 1.00 0.00 N ATOM 593 CA CYS A 161 2.985 -2.011 2.749 1.00 0.00 C ATOM 594 C CYS A 161 3.982 -2.429 1.662 1.00 0.00 C ATOM 595 O CYS A 161 4.005 -3.585 1.246 1.00 0.00 O ATOM 596 CB CYS A 161 3.193 -2.754 4.074 1.00 0.00 C ATOM 597 SG CYS A 161 4.876 -2.563 4.696 1.00 0.00 S ATOM 0 H CYS A 161 1.118 -2.896 2.952 1.00 0.00 H new ATOM 0 HA CYS A 161 3.144 -0.946 2.918 1.00 0.00 H new ATOM 0 HB2 CYS A 161 2.487 -2.379 4.815 1.00 0.00 H new ATOM 0 HB3 CYS A 161 2.976 -3.813 3.934 1.00 0.00 H new ATOM 602 N HIS A 162 4.810 -1.487 1.203 1.00 0.00 N ATOM 603 CA HIS A 162 5.856 -1.712 0.214 1.00 0.00 C ATOM 604 C HIS A 162 6.943 -2.633 0.772 1.00 0.00 C ATOM 605 O HIS A 162 7.988 -2.808 0.152 1.00 0.00 O ATOM 606 CB HIS A 162 6.489 -0.369 -0.165 1.00 0.00 C ATOM 607 CG HIS A 162 5.672 0.464 -1.119 1.00 0.00 C ATOM 608 ND1 HIS A 162 4.848 -0.028 -2.132 1.00 0.00 N ATOM 609 CD2 HIS A 162 5.645 1.831 -1.154 1.00 0.00 C ATOM 610 CE1 HIS A 162 4.367 1.054 -2.762 1.00 0.00 C ATOM 611 NE2 HIS A 162 4.824 2.182 -2.197 1.00 0.00 N ATOM 0 H HIS A 162 4.766 -0.519 1.522 1.00 0.00 H new ATOM 0 HA HIS A 162 5.410 -2.184 -0.662 1.00 0.00 H new ATOM 0 HB2 HIS A 162 6.659 0.207 0.745 1.00 0.00 H new ATOM 0 HB3 HIS A 162 7.466 -0.556 -0.612 1.00 0.00 H new ATOM 0 HD1 HIS A 162 4.652 -1.005 -2.348 1.00 0.00 H new ATOM 0 HD2 HIS A 162 6.168 2.504 -0.490 1.00 0.00 H new ATOM 0 HE1 HIS A 162 3.700 1.022 -3.611 1.00 0.00 H new ATOM 619 N PHE A 163 6.711 -3.224 1.944 1.00 0.00 N ATOM 620 CA PHE A 163 7.753 -3.925 2.665 1.00 0.00 C ATOM 621 C PHE A 163 7.320 -5.307 3.135 1.00 0.00 C ATOM 622 O PHE A 163 8.123 -6.237 3.123 1.00 0.00 O ATOM 623 CB PHE A 163 8.057 -3.055 3.866 1.00 0.00 C ATOM 624 CG PHE A 163 9.444 -3.191 4.417 1.00 0.00 C ATOM 625 CD1 PHE A 163 9.747 -4.243 5.289 1.00 0.00 C ATOM 626 CD2 PHE A 163 10.422 -2.252 4.055 1.00 0.00 C ATOM 627 CE1 PHE A 163 11.044 -4.339 5.810 1.00 0.00 C ATOM 628 CE2 PHE A 163 11.708 -2.341 4.588 1.00 0.00 C ATOM 629 CZ PHE A 163 12.020 -3.388 5.460 1.00 0.00 C ATOM 0 H PHE A 163 5.803 -3.226 2.409 1.00 0.00 H new ATOM 0 HA PHE A 163 8.614 -4.087 2.017 1.00 0.00 H new ATOM 0 HB2 PHE A 163 7.893 -2.013 3.591 1.00 0.00 H new ATOM 0 HB3 PHE A 163 7.344 -3.292 4.656 1.00 0.00 H new ATOM 0 HD1 PHE A 163 8.993 -4.969 5.556 1.00 0.00 H new ATOM 0 HD2 PHE A 163 10.179 -1.459 3.363 1.00 0.00 H new ATOM 0 HE1 PHE A 163 11.295 -5.146 6.483 1.00 0.00 H new ATOM 0 HE2 PHE A 163 12.457 -1.607 4.329 1.00 0.00 H new ATOM 0 HZ PHE A 163 13.017 -3.467 5.868 1.00 0.00 H new ATOM 639 N CYS A 164 6.056 -5.451 3.547 1.00 0.00 N ATOM 640 CA CYS A 164 5.522 -6.734 3.978 1.00 0.00 C ATOM 641 C CYS A 164 4.166 -7.016 3.326 1.00 0.00 C ATOM 642 O CYS A 164 3.505 -8.004 3.649 1.00 0.00 O ATOM 643 CB CYS A 164 5.396 -6.709 5.490 1.00 0.00 C ATOM 644 SG CYS A 164 4.039 -5.606 5.902 1.00 0.00 S ATOM 0 H CYS A 164 5.384 -4.684 3.589 1.00 0.00 H new ATOM 0 HA CYS A 164 6.196 -7.534 3.671 1.00 0.00 H new ATOM 0 HB2 CYS A 164 5.206 -7.711 5.875 1.00 0.00 H new ATOM 0 HB3 CYS A 164 6.323 -6.363 5.946 1.00 0.00 H new ATOM 649 N GLN A 165 3.762 -6.139 2.406 1.00 0.00 N ATOM 650 CA GLN A 165 2.504 -6.197 1.673 1.00 0.00 C ATOM 651 C GLN A 165 1.274 -6.242 2.581 1.00 0.00 C ATOM 652 O GLN A 165 0.213 -6.694 2.156 1.00 0.00 O ATOM 653 CB GLN A 165 2.527 -7.331 0.640 1.00 0.00 C ATOM 654 CG GLN A 165 3.551 -7.065 -0.468 1.00 0.00 C ATOM 655 CD GLN A 165 4.992 -7.148 0.026 1.00 0.00 C ATOM 656 OE1 GLN A 165 5.480 -8.226 0.362 1.00 0.00 O ATOM 657 NE2 GLN A 165 5.681 -6.014 0.082 1.00 0.00 N ATOM 0 H GLN A 165 4.331 -5.334 2.142 1.00 0.00 H new ATOM 0 HA GLN A 165 2.408 -5.258 1.128 1.00 0.00 H new ATOM 0 HB2 GLN A 165 2.764 -8.272 1.137 1.00 0.00 H new ATOM 0 HB3 GLN A 165 1.536 -7.444 0.201 1.00 0.00 H new ATOM 0 HG2 GLN A 165 3.405 -7.787 -1.272 1.00 0.00 H new ATOM 0 HG3 GLN A 165 3.373 -6.076 -0.891 1.00 0.00 H new ATOM 0 HE21 GLN A 165 5.245 -5.138 -0.205 1.00 0.00 H new ATOM 0 HE22 GLN A 165 6.646 -6.019 0.412 1.00 0.00 H new ATOM 666 N SER A 166 1.394 -5.779 3.829 1.00 0.00 N ATOM 667 CA SER A 166 0.269 -5.721 4.751 1.00 0.00 C ATOM 668 C SER A 166 -0.490 -4.408 4.575 1.00 0.00 C ATOM 669 O SER A 166 0.066 -3.339 4.808 1.00 0.00 O ATOM 670 CB SER A 166 0.794 -5.808 6.177 1.00 0.00 C ATOM 671 OG SER A 166 1.491 -7.021 6.365 1.00 0.00 O ATOM 0 H SER A 166 2.271 -5.437 4.222 1.00 0.00 H new ATOM 0 HA SER A 166 -0.407 -6.552 4.546 1.00 0.00 H new ATOM 0 HB2 SER A 166 1.454 -4.965 6.382 1.00 0.00 H new ATOM 0 HB3 SER A 166 -0.035 -5.743 6.882 1.00 0.00 H new ATOM 0 HG SER A 166 2.435 -6.831 6.549 1.00 0.00 H new ATOM 677 N ILE A 167 -1.757 -4.484 4.163 1.00 0.00 N ATOM 678 CA ILE A 167 -2.645 -3.324 4.069 1.00 0.00 C ATOM 679 C ILE A 167 -2.957 -2.731 5.438 1.00 0.00 C ATOM 680 O ILE A 167 -3.334 -1.564 5.532 1.00 0.00 O ATOM 681 CB ILE A 167 -3.960 -3.732 3.400 1.00 0.00 C ATOM 682 CG1 ILE A 167 -4.647 -4.851 4.191 1.00 0.00 C ATOM 683 CG2 ILE A 167 -3.657 -4.191 1.980 1.00 0.00 C ATOM 684 CD1 ILE A 167 -5.663 -5.610 3.343 1.00 0.00 C ATOM 0 H ILE A 167 -2.199 -5.360 3.883 1.00 0.00 H new ATOM 0 HA ILE A 167 -2.129 -2.568 3.476 1.00 0.00 H new ATOM 0 HB ILE A 167 -4.639 -2.880 3.377 1.00 0.00 H new ATOM 0 HG12 ILE A 167 -3.895 -5.546 4.564 1.00 0.00 H new ATOM 0 HG13 ILE A 167 -5.147 -4.426 5.061 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -4.584 -4.486 1.487 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -3.195 -3.375 1.425 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -2.976 -5.041 2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 167 -6.125 -6.393 3.944 1.00 0.00 H new ATOM 0 HD12 ILE A 167 -6.431 -4.921 2.992 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -5.159 -6.059 2.487 1.00 0.00 H new ATOM 696 N SER A 168 -2.808 -3.534 6.490 1.00 0.00 N ATOM 697 CA SER A 168 -3.028 -3.121 7.868 1.00 0.00 C ATOM 698 C SER A 168 -2.301 -1.810 8.142 1.00 0.00 C ATOM 699 O SER A 168 -2.870 -0.894 8.734 1.00 0.00 O ATOM 700 CB SER A 168 -2.614 -4.242 8.813 1.00 0.00 C ATOM 701 OG SER A 168 -1.240 -4.523 8.683 1.00 0.00 O ATOM 0 H SER A 168 -2.525 -4.510 6.402 1.00 0.00 H new ATOM 0 HA SER A 168 -4.088 -2.933 8.041 1.00 0.00 H new ATOM 0 HB2 SER A 168 -2.836 -3.957 9.842 1.00 0.00 H new ATOM 0 HB3 SER A 168 -3.195 -5.139 8.598 1.00 0.00 H new ATOM 0 HG SER A 168 -0.994 -5.244 9.299 1.00 0.00 H new ATOM 707 N HIS A 169 -1.039 -1.730 7.718 1.00 0.00 N ATOM 708 CA HIS A 169 -0.207 -0.558 7.911 1.00 0.00 C ATOM 709 C HIS A 169 0.445 -0.171 6.588 1.00 0.00 C ATOM 710 O HIS A 169 0.021 -0.608 5.520 1.00 0.00 O ATOM 711 CB HIS A 169 0.835 -0.865 8.993 1.00 0.00 C ATOM 712 CG HIS A 169 1.683 -2.077 8.693 1.00 0.00 C ATOM 713 ND1 HIS A 169 1.532 -3.328 9.244 1.00 0.00 N ATOM 714 CD2 HIS A 169 2.747 -2.146 7.830 1.00 0.00 C ATOM 715 CE1 HIS A 169 2.485 -4.124 8.724 1.00 0.00 C ATOM 716 NE2 HIS A 169 3.263 -3.443 7.861 1.00 0.00 N ATOM 0 H HIS A 169 -0.568 -2.489 7.226 1.00 0.00 H new ATOM 0 HA HIS A 169 -0.806 0.290 8.242 1.00 0.00 H new ATOM 0 HB2 HIS A 169 1.485 0.001 9.115 1.00 0.00 H new ATOM 0 HB3 HIS A 169 0.324 -1.016 9.944 1.00 0.00 H new ATOM 0 HD1 HIS A 169 0.824 -3.603 9.925 1.00 0.00 H new ATOM 0 HD2 HIS A 169 3.123 -1.333 7.227 1.00 0.00 H new ATOM 0 HE1 HIS A 169 2.609 -5.169 8.966 1.00 0.00 H new ATOM 724 N MET A 170 1.489 0.655 6.669 1.00 0.00 N ATOM 725 CA MET A 170 2.279 1.069 5.527 1.00 0.00 C ATOM 726 C MET A 170 3.736 0.830 5.870 1.00 0.00 C ATOM 727 O MET A 170 4.067 0.642 7.039 1.00 0.00 O ATOM 728 CB MET A 170 2.044 2.562 5.282 1.00 0.00 C ATOM 729 CG MET A 170 0.608 2.921 4.910 1.00 0.00 C ATOM 730 SD MET A 170 0.273 3.058 3.133 1.00 0.00 S ATOM 731 CE MET A 170 0.563 1.347 2.632 1.00 0.00 C ATOM 0 H MET A 170 1.809 1.058 7.550 1.00 0.00 H new ATOM 0 HA MET A 170 2.004 0.512 4.632 1.00 0.00 H new ATOM 0 HB2 MET A 170 2.323 3.113 6.180 1.00 0.00 H new ATOM 0 HB3 MET A 170 2.708 2.896 4.484 1.00 0.00 H new ATOM 0 HG2 MET A 170 -0.057 2.167 5.330 1.00 0.00 H new ATOM 0 HG3 MET A 170 0.355 3.869 5.384 1.00 0.00 H new ATOM 0 HE1 MET A 170 0.435 1.257 1.553 1.00 0.00 H new ATOM 0 HE2 MET A 170 1.578 1.056 2.903 1.00 0.00 H new ATOM 0 HE3 MET A 170 -0.149 0.694 3.137 1.00 0.00 H new ATOM 741 N VAL A 171 4.629 0.833 4.874 1.00 0.00 N ATOM 742 CA VAL A 171 6.055 0.694 5.144 1.00 0.00 C ATOM 743 C VAL A 171 6.492 1.801 6.084 1.00 0.00 C ATOM 744 O VAL A 171 7.499 1.686 6.779 1.00 0.00 O ATOM 745 CB VAL A 171 6.857 0.756 3.848 1.00 0.00 C ATOM 746 CG1 VAL A 171 6.873 2.185 3.328 1.00 0.00 C ATOM 747 CG2 VAL A 171 8.304 0.347 4.075 1.00 0.00 C ATOM 0 H VAL A 171 4.389 0.929 3.887 1.00 0.00 H new ATOM 0 HA VAL A 171 6.239 -0.275 5.608 1.00 0.00 H new ATOM 0 HB VAL A 171 6.386 0.076 3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 171 7.446 2.229 2.402 1.00 0.00 H new ATOM 0 HG12 VAL A 171 5.851 2.515 3.138 1.00 0.00 H new ATOM 0 HG13 VAL A 171 7.333 2.837 4.070 1.00 0.00 H new ATOM 0 HG21 VAL A 171 8.850 0.401 3.133 1.00 0.00 H new ATOM 0 HG22 VAL A 171 8.763 1.020 4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 171 8.338 -0.674 4.456 1.00 0.00 H new ATOM 757 N ALA A 172 5.714 2.884 6.089 1.00 0.00 N ATOM 758 CA ALA A 172 5.955 4.014 6.949 1.00 0.00 C ATOM 759 C ALA A 172 5.862 3.629 8.421 1.00 0.00 C ATOM 760 O ALA A 172 6.191 4.416 9.306 1.00 0.00 O ATOM 761 CB ALA A 172 4.925 5.086 6.632 1.00 0.00 C ATOM 0 H ALA A 172 4.897 2.990 5.488 1.00 0.00 H new ATOM 0 HA ALA A 172 6.965 4.384 6.771 1.00 0.00 H new ATOM 0 HB1 ALA A 172 5.091 5.951 7.274 1.00 0.00 H new ATOM 0 HB2 ALA A 172 5.020 5.385 5.588 1.00 0.00 H new ATOM 0 HB3 ALA A 172 3.924 4.692 6.806 1.00 0.00 H new ATOM 767 N SER A 173 5.404 2.404 8.668 1.00 0.00 N ATOM 768 CA SER A 173 5.144 1.866 9.991 1.00 0.00 C ATOM 769 C SER A 173 5.458 0.374 10.064 1.00 0.00 C ATOM 770 O SER A 173 5.158 -0.264 11.071 1.00 0.00 O ATOM 771 CB SER A 173 3.660 2.075 10.288 1.00 0.00 C ATOM 772 OG SER A 173 3.367 1.812 11.636 1.00 0.00 O ATOM 0 H SER A 173 5.198 1.739 7.922 1.00 0.00 H new ATOM 0 HA SER A 173 5.779 2.375 10.716 1.00 0.00 H new ATOM 0 HB2 SER A 173 3.379 3.100 10.046 1.00 0.00 H new ATOM 0 HB3 SER A 173 3.064 1.422 9.650 1.00 0.00 H new ATOM 0 HG SER A 173 3.837 1.001 11.921 1.00 0.00 H new ATOM 778 N CYS A 174 6.056 -0.191 9.004 1.00 0.00 N ATOM 779 CA CYS A 174 6.235 -1.645 8.943 1.00 0.00 C ATOM 780 C CYS A 174 6.900 -2.169 10.221 1.00 0.00 C ATOM 781 O CYS A 174 7.908 -1.616 10.665 1.00 0.00 O ATOM 782 CB CYS A 174 7.039 -2.051 7.712 1.00 0.00 C ATOM 783 SG CYS A 174 6.798 -3.817 7.403 1.00 0.00 S ATOM 0 H CYS A 174 6.414 0.322 8.199 1.00 0.00 H new ATOM 0 HA CYS A 174 5.246 -2.097 8.863 1.00 0.00 H new ATOM 0 HB2 CYS A 174 6.720 -1.471 6.846 1.00 0.00 H new ATOM 0 HB3 CYS A 174 8.097 -1.837 7.866 1.00 0.00 H new ATOM 788 N PRO A 175 6.357 -3.228 10.822 1.00 0.00 N ATOM 789 CA PRO A 175 6.912 -3.824 12.025 1.00 0.00 C ATOM 790 C PRO A 175 8.199 -4.570 11.703 1.00 0.00 C ATOM 791 O PRO A 175 8.963 -4.907 12.607 1.00 0.00 O ATOM 792 CB PRO A 175 5.839 -4.802 12.508 1.00 0.00 C ATOM 793 CG PRO A 175 5.153 -5.229 11.211 1.00 0.00 C ATOM 794 CD PRO A 175 5.172 -3.947 10.391 1.00 0.00 C ATOM 0 HA PRO A 175 7.159 -3.076 12.778 1.00 0.00 H new ATOM 0 HB2 PRO A 175 6.275 -5.652 13.033 1.00 0.00 H new ATOM 0 HB3 PRO A 175 5.140 -4.327 13.196 1.00 0.00 H new ATOM 0 HG2 PRO A 175 5.691 -6.036 10.714 1.00 0.00 H new ATOM 0 HG3 PRO A 175 4.137 -5.583 11.387 1.00 0.00 H new ATOM 0 HD2 PRO A 175 5.212 -4.165 9.324 1.00 0.00 H new ATOM 0 HD3 PRO A 175 4.271 -3.358 10.563 1.00 0.00 H new ATOM 802 N LEU A 176 8.447 -4.838 10.416 1.00 0.00 N ATOM 803 CA LEU A 176 9.636 -5.553 10.014 1.00 0.00 C ATOM 804 C LEU A 176 10.807 -4.593 9.933 1.00 0.00 C ATOM 805 O LEU A 176 11.812 -4.794 10.611 1.00 0.00 O ATOM 806 CB LEU A 176 9.412 -6.190 8.644 1.00 0.00 C ATOM 807 CG LEU A 176 8.160 -7.062 8.595 1.00 0.00 C ATOM 808 CD1 LEU A 176 8.097 -7.709 7.217 1.00 0.00 C ATOM 809 CD2 LEU A 176 8.222 -8.136 9.668 1.00 0.00 C ATOM 0 H LEU A 176 7.835 -4.566 9.647 1.00 0.00 H new ATOM 0 HA LEU A 176 9.852 -6.329 10.748 1.00 0.00 H new ATOM 0 HB2 LEU A 176 9.332 -5.405 7.892 1.00 0.00 H new ATOM 0 HB3 LEU A 176 10.281 -6.794 8.383 1.00 0.00 H new ATOM 0 HG LEU A 176 7.272 -6.455 8.775 1.00 0.00 H new ATOM 0 HD11 LEU A 176 7.211 -8.340 7.151 1.00 0.00 H new ATOM 0 HD12 LEU A 176 8.048 -6.933 6.453 1.00 0.00 H new ATOM 0 HD13 LEU A 176 8.988 -8.317 7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 176 7.323 -8.750 9.621 1.00 0.00 H new ATOM 0 HD22 LEU A 176 9.098 -8.763 9.505 1.00 0.00 H new ATOM 0 HD23 LEU A 176 8.290 -7.666 10.649 1.00 0.00 H new ATOM 821 N LYS A 177 10.682 -3.553 9.108 1.00 0.00 N ATOM 822 CA LYS A 177 11.779 -2.630 8.833 1.00 0.00 C ATOM 823 C LYS A 177 12.349 -2.045 10.118 1.00 0.00 C ATOM 824 O LYS A 177 13.470 -1.551 10.116 1.00 0.00 O ATOM 825 CB LYS A 177 11.306 -1.520 7.898 1.00 0.00 C ATOM 826 CG LYS A 177 10.497 -0.478 8.653 1.00 0.00 C ATOM 827 CD LYS A 177 10.137 0.685 7.733 1.00 0.00 C ATOM 828 CE LYS A 177 11.355 1.537 7.369 1.00 0.00 C ATOM 829 NZ LYS A 177 11.859 2.298 8.526 1.00 0.00 N ATOM 0 H LYS A 177 9.819 -3.329 8.613 1.00 0.00 H new ATOM 0 HA LYS A 177 12.578 -3.187 8.345 1.00 0.00 H new ATOM 0 HB2 LYS A 177 12.167 -1.046 7.427 1.00 0.00 H new ATOM 0 HB3 LYS A 177 10.700 -1.947 7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 177 9.588 -0.931 9.050 1.00 0.00 H new ATOM 0 HG3 LYS A 177 11.069 -0.112 9.506 1.00 0.00 H new ATOM 0 HD2 LYS A 177 9.683 0.297 6.821 1.00 0.00 H new ATOM 0 HD3 LYS A 177 9.390 1.312 8.219 1.00 0.00 H new ATOM 0 HE2 LYS A 177 12.147 0.893 6.985 1.00 0.00 H new ATOM 0 HE3 LYS A 177 11.089 2.227 6.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 12.606 2.950 8.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 11.080 2.841 8.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 12.246 1.640 9.232 1.00 0.00 H new ATOM 843 N ALA A 178 11.579 -2.101 11.210 1.00 0.00 N ATOM 844 CA ALA A 178 12.027 -1.625 12.497 1.00 0.00 C ATOM 845 C ALA A 178 13.312 -2.337 12.932 1.00 0.00 C ATOM 846 O ALA A 178 14.012 -1.857 13.823 1.00 0.00 O ATOM 847 CB ALA A 178 10.924 -1.884 13.514 1.00 0.00 C ATOM 0 H ALA A 178 10.632 -2.479 11.213 1.00 0.00 H new ATOM 0 HA ALA A 178 12.244 -0.559 12.430 1.00 0.00 H new ATOM 0 HB1 ALA A 178 11.243 -1.531 14.495 1.00 0.00 H new ATOM 0 HB2 ALA A 178 10.020 -1.354 13.214 1.00 0.00 H new ATOM 0 HB3 ALA A 178 10.718 -2.953 13.563 1.00 0.00 H new ATOM 853 N GLN A 179 13.607 -3.472 12.298 1.00 0.00 N ATOM 854 CA GLN A 179 14.802 -4.249 12.552 1.00 0.00 C ATOM 855 C GLN A 179 15.405 -4.822 11.261 1.00 0.00 C ATOM 856 O GLN A 179 16.404 -5.534 11.325 1.00 0.00 O ATOM 857 CB GLN A 179 14.511 -5.315 13.619 1.00 0.00 C ATOM 858 CG GLN A 179 13.181 -6.060 13.462 1.00 0.00 C ATOM 859 CD GLN A 179 13.154 -7.054 12.312 1.00 0.00 C ATOM 860 OE1 GLN A 179 14.191 -7.420 11.760 1.00 0.00 O ATOM 861 NE2 GLN A 179 11.961 -7.507 11.929 1.00 0.00 N ATOM 0 H GLN A 179 13.005 -3.878 11.581 1.00 0.00 H new ATOM 0 HA GLN A 179 15.574 -3.591 12.951 1.00 0.00 H new ATOM 0 HB2 GLN A 179 15.320 -6.045 13.608 1.00 0.00 H new ATOM 0 HB3 GLN A 179 14.526 -4.837 14.599 1.00 0.00 H new ATOM 0 HG2 GLN A 179 12.962 -6.589 14.390 1.00 0.00 H new ATOM 0 HG3 GLN A 179 12.384 -5.331 13.316 1.00 0.00 H new ATOM 0 HE21 GLN A 179 11.117 -7.187 12.404 1.00 0.00 H new ATOM 0 HE22 GLN A 179 11.891 -8.174 11.161 1.00 0.00 H new ATOM 870 N GLN A 180 14.816 -4.524 10.092 1.00 0.00 N ATOM 871 CA GLN A 180 15.426 -4.884 8.813 1.00 0.00 C ATOM 872 C GLN A 180 16.056 -3.666 8.139 1.00 0.00 C ATOM 873 O GLN A 180 16.935 -3.816 7.294 1.00 0.00 O ATOM 874 CB GLN A 180 14.408 -5.469 7.827 1.00 0.00 C ATOM 875 CG GLN A 180 13.401 -6.426 8.440 1.00 0.00 C ATOM 876 CD GLN A 180 12.891 -7.441 7.420 1.00 0.00 C ATOM 877 OE1 GLN A 180 12.689 -7.116 6.251 1.00 0.00 O ATOM 878 NE2 GLN A 180 12.676 -8.677 7.851 1.00 0.00 N ATOM 0 H GLN A 180 13.923 -4.037 10.011 1.00 0.00 H new ATOM 0 HA GLN A 180 16.182 -5.632 9.050 1.00 0.00 H new ATOM 0 HB2 GLN A 180 13.867 -4.648 7.356 1.00 0.00 H new ATOM 0 HB3 GLN A 180 14.948 -5.990 7.036 1.00 0.00 H new ATOM 0 HG2 GLN A 180 13.861 -6.951 9.277 1.00 0.00 H new ATOM 0 HG3 GLN A 180 12.560 -5.861 8.842 1.00 0.00 H new ATOM 0 HE21 GLN A 180 12.853 -8.915 8.827 1.00 0.00 H new ATOM 0 HE22 GLN A 180 12.333 -9.389 7.206 1.00 0.00 H new ATOM 887 N GLY A 181 15.612 -2.462 8.513 1.00 0.00 N ATOM 888 CA GLY A 181 16.091 -1.230 7.907 1.00 0.00 C ATOM 889 C GLY A 181 15.298 -0.019 8.411 1.00 0.00 C ATOM 890 O GLY A 181 14.421 0.476 7.706 1.00 0.00 O ATOM 0 H GLY A 181 14.913 -2.321 9.242 1.00 0.00 H new ATOM 0 HA2 GLY A 181 17.148 -1.096 8.136 1.00 0.00 H new ATOM 0 HA3 GLY A 181 16.006 -1.298 6.822 1.00 0.00 H new ATOM 894 N PRO A 182 15.598 0.463 9.629 1.00 0.00 N ATOM 895 CA PRO A 182 14.971 1.633 10.225 1.00 0.00 C ATOM 896 C PRO A 182 15.017 2.861 9.317 1.00 0.00 C ATOM 897 O PRO A 182 14.261 3.808 9.519 1.00 0.00 O ATOM 898 CB PRO A 182 15.750 1.888 11.519 1.00 0.00 C ATOM 899 CG PRO A 182 16.289 0.507 11.885 1.00 0.00 C ATOM 900 CD PRO A 182 16.577 -0.113 10.523 1.00 0.00 C ATOM 0 HA PRO A 182 13.910 1.451 10.399 1.00 0.00 H new ATOM 0 HB2 PRO A 182 16.555 2.607 11.368 1.00 0.00 H new ATOM 0 HB3 PRO A 182 15.107 2.289 12.303 1.00 0.00 H new ATOM 0 HG2 PRO A 182 17.188 0.573 12.498 1.00 0.00 H new ATOM 0 HG3 PRO A 182 15.560 -0.075 12.449 1.00 0.00 H new ATOM 0 HD2 PRO A 182 17.591 0.113 10.194 1.00 0.00 H new ATOM 0 HD3 PRO A 182 16.488 -1.199 10.558 1.00 0.00 H new ATOM 908 N SER A 183 15.900 2.842 8.317 1.00 0.00 N ATOM 909 CA SER A 183 16.053 3.895 7.326 1.00 0.00 C ATOM 910 C SER A 183 16.595 3.272 6.041 1.00 0.00 C ATOM 911 O SER A 183 17.036 2.122 6.051 1.00 0.00 O ATOM 912 CB SER A 183 17.012 4.958 7.864 1.00 0.00 C ATOM 913 OG SER A 183 17.112 6.045 6.963 1.00 0.00 O ATOM 0 H SER A 183 16.546 2.066 8.175 1.00 0.00 H new ATOM 0 HA SER A 183 15.096 4.372 7.116 1.00 0.00 H new ATOM 0 HB2 SER A 183 16.662 5.314 8.833 1.00 0.00 H new ATOM 0 HB3 SER A 183 17.997 4.519 8.023 1.00 0.00 H new ATOM 0 HG SER A 183 17.729 6.715 7.326 1.00 0.00 H new ATOM 919 N ALA A 184 16.568 4.016 4.932 1.00 0.00 N ATOM 920 CA ALA A 184 17.012 3.517 3.637 1.00 0.00 C ATOM 921 C ALA A 184 17.717 4.614 2.829 1.00 0.00 C ATOM 922 O ALA A 184 17.916 4.464 1.626 1.00 0.00 O ATOM 923 CB ALA A 184 15.801 2.966 2.887 1.00 0.00 C ATOM 0 H ALA A 184 16.237 4.981 4.911 1.00 0.00 H new ATOM 0 HA ALA A 184 17.741 2.721 3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 184 16.116 2.588 1.914 1.00 0.00 H new ATOM 0 HB2 ALA A 184 15.354 2.156 3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 184 15.067 3.760 2.747 1.00 0.00 H new ATOM 929 N GLN A 185 18.089 5.712 3.493 1.00 0.00 N ATOM 930 CA GLN A 185 18.761 6.827 2.848 1.00 0.00 C ATOM 931 C GLN A 185 19.717 7.489 3.838 1.00 0.00 C ATOM 932 O GLN A 185 19.548 7.366 5.052 1.00 0.00 O ATOM 933 CB GLN A 185 17.691 7.813 2.364 1.00 0.00 C ATOM 934 CG GLN A 185 18.281 8.993 1.588 1.00 0.00 C ATOM 935 CD GLN A 185 17.193 9.949 1.113 1.00 0.00 C ATOM 936 OE1 GLN A 185 16.098 9.526 0.749 1.00 0.00 O ATOM 937 NE2 GLN A 185 17.481 11.248 1.116 1.00 0.00 N ATOM 0 H GLN A 185 17.930 5.846 4.492 1.00 0.00 H new ATOM 0 HA GLN A 185 19.348 6.487 1.995 1.00 0.00 H new ATOM 0 HB2 GLN A 185 16.978 7.286 1.729 1.00 0.00 H new ATOM 0 HB3 GLN A 185 17.135 8.190 3.223 1.00 0.00 H new ATOM 0 HG2 GLN A 185 18.987 9.530 2.221 1.00 0.00 H new ATOM 0 HG3 GLN A 185 18.841 8.622 0.730 1.00 0.00 H new ATOM 0 HE21 GLN A 185 18.400 11.566 1.424 1.00 0.00 H new ATOM 0 HE22 GLN A 185 16.783 11.926 0.810 1.00 0.00 H new ATOM 946 N GLY A 186 20.727 8.192 3.319 1.00 0.00 N ATOM 947 CA GLY A 186 21.707 8.893 4.135 1.00 0.00 C ATOM 948 C GLY A 186 22.600 9.762 3.262 1.00 0.00 C ATOM 949 O GLY A 186 22.277 10.960 3.119 1.00 0.00 O ATOM 950 OXT GLY A 186 23.593 9.208 2.741 1.00 0.00 O ATOM 0 H GLY A 186 20.884 8.288 2.316 1.00 0.00 H new ATOM 0 HA2 GLY A 186 21.198 9.511 4.875 1.00 0.00 H new ATOM 0 HA3 GLY A 186 22.314 8.173 4.684 1.00 0.00 H new TER 954 GLY A 186 ATOM 955 O5' A B 1 11.551 7.665 4.198 1.00 0.00 O ATOM 956 C5' A B 1 10.330 7.160 4.691 1.00 0.00 C ATOM 957 C4' A B 1 9.220 7.374 3.665 1.00 0.00 C ATOM 958 O4' A B 1 9.516 6.563 2.534 1.00 0.00 O ATOM 959 C3' A B 1 7.914 6.894 4.289 1.00 0.00 C ATOM 960 O3' A B 1 6.787 7.732 4.015 1.00 0.00 O ATOM 961 C2' A B 1 7.823 5.490 3.724 1.00 0.00 C ATOM 962 O2' A B 1 6.496 5.055 3.667 1.00 0.00 O ATOM 963 C1' A B 1 8.455 5.652 2.350 1.00 0.00 C ATOM 964 N9 A B 1 8.868 4.363 1.759 1.00 0.00 N ATOM 965 C8 A B 1 8.394 3.828 0.593 1.00 0.00 C ATOM 966 N7 A B 1 8.938 2.682 0.276 1.00 0.00 N ATOM 967 C5 A B 1 9.809 2.424 1.331 1.00 0.00 C ATOM 968 C6 A B 1 10.680 1.356 1.618 1.00 0.00 C ATOM 969 N6 A B 1 10.860 0.306 0.817 1.00 0.00 N ATOM 970 N1 A B 1 11.376 1.388 2.762 1.00 0.00 N ATOM 971 C2 A B 1 11.226 2.425 3.570 1.00 0.00 C ATOM 972 N3 A B 1 10.468 3.503 3.413 1.00 0.00 N ATOM 973 C4 A B 1 9.767 3.436 2.253 1.00 0.00 C ATOM 0 H5' A B 1 10.073 7.658 5.626 1.00 0.00 H new ATOM 0 H5'' A B 1 10.430 6.098 4.913 1.00 0.00 H new ATOM 0 H4' A B 1 9.140 8.421 3.372 1.00 0.00 H new ATOM 0 H3' A B 1 7.904 6.923 5.379 1.00 0.00 H new ATOM 0 H2' A B 1 8.322 4.730 4.326 1.00 0.00 H new ATOM 0 HO2' A B 1 6.062 5.431 2.873 1.00 0.00 H new ATOM 0 HO5' A B 1 11.574 7.572 3.223 1.00 0.00 H new ATOM 0 H1' A B 1 7.744 6.037 1.619 1.00 0.00 H new ATOM 0 H8 A B 1 7.639 4.309 -0.011 1.00 0.00 H new ATOM 0 H61 A B 1 11.508 -0.435 1.085 1.00 0.00 H new ATOM 0 H62 A B 1 10.350 0.244 -0.064 1.00 0.00 H new ATOM 0 H2 A B 1 11.800 2.389 4.484 1.00 0.00 H new ATOM 986 P G B 2 6.227 8.075 2.534 1.00 0.00 P ATOM 987 OP1 G B 2 5.776 6.827 1.895 1.00 0.00 O ATOM 988 OP2 G B 2 7.206 8.939 1.833 1.00 0.00 O ATOM 989 O5' G B 2 4.922 8.965 2.862 1.00 0.00 O ATOM 990 C5' G B 2 4.120 9.524 1.831 1.00 0.00 C ATOM 991 C4' G B 2 2.907 8.656 1.466 1.00 0.00 C ATOM 992 O4' G B 2 3.274 7.456 0.816 1.00 0.00 O ATOM 993 C3' G B 2 2.052 8.264 2.667 1.00 0.00 C ATOM 994 O3' G B 2 1.145 9.302 3.012 1.00 0.00 O ATOM 995 C2' G B 2 1.360 6.995 2.182 1.00 0.00 C ATOM 996 O2' G B 2 0.126 7.238 1.543 1.00 0.00 O ATOM 997 C1' G B 2 2.313 6.459 1.122 1.00 0.00 C ATOM 998 N9 G B 2 2.984 5.253 1.626 1.00 0.00 N ATOM 999 C8 G B 2 3.791 5.118 2.724 1.00 0.00 C ATOM 1000 N7 G B 2 4.152 3.894 2.949 1.00 0.00 N ATOM 1001 C5 G B 2 3.608 3.175 1.905 1.00 0.00 C ATOM 1002 C6 G B 2 3.719 1.793 1.610 1.00 0.00 C ATOM 1003 O6 G B 2 4.321 0.929 2.227 1.00 0.00 O ATOM 1004 N1 G B 2 3.039 1.446 0.463 1.00 0.00 N ATOM 1005 C2 G B 2 2.325 2.321 -0.311 1.00 0.00 C ATOM 1006 N2 G B 2 1.718 1.811 -1.377 1.00 0.00 N ATOM 1007 N3 G B 2 2.217 3.634 -0.051 1.00 0.00 N ATOM 1008 C4 G B 2 2.895 3.996 1.077 1.00 0.00 C ATOM 0 H5' G B 2 4.734 9.671 0.942 1.00 0.00 H new ATOM 0 H5'' G B 2 3.772 10.508 2.144 1.00 0.00 H new ATOM 0 H4' G B 2 2.329 9.295 0.798 1.00 0.00 H new ATOM 0 H3' G B 2 2.617 8.099 3.584 1.00 0.00 H new ATOM 0 H2' G B 2 1.152 6.334 3.024 1.00 0.00 H new ATOM 0 HO2' G B 2 -0.521 6.552 1.809 1.00 0.00 H new ATOM 0 H1' G B 2 1.756 6.203 0.221 1.00 0.00 H new ATOM 0 H8 G B 2 4.096 5.950 3.342 1.00 0.00 H new ATOM 0 H1 G B 2 3.070 0.469 0.170 1.00 0.00 H new ATOM 0 H21 G B 2 1.172 2.415 -1.991 1.00 0.00 H new ATOM 0 H22 G B 2 1.798 0.815 -1.582 1.00 0.00 H new ATOM 1020 P G B 3 0.032 9.098 4.154 1.00 0.00 P ATOM 1021 OP1 G B 3 -0.149 10.388 4.853 1.00 0.00 O ATOM 1022 OP2 G B 3 0.378 7.888 4.926 1.00 0.00 O ATOM 1023 O5' G B 3 -1.312 8.795 3.316 1.00 0.00 O ATOM 1024 C5' G B 3 -1.914 9.780 2.487 1.00 0.00 C ATOM 1025 C4' G B 3 -1.426 9.626 1.046 1.00 0.00 C ATOM 1026 O4' G B 3 -2.081 8.496 0.472 1.00 0.00 O ATOM 1027 C3' G B 3 -1.783 10.846 0.194 1.00 0.00 C ATOM 1028 O3' G B 3 -0.758 11.013 -0.777 1.00 0.00 O ATOM 1029 C2' G B 3 -3.104 10.397 -0.408 1.00 0.00 C ATOM 1030 O2' G B 3 -3.459 11.090 -1.581 1.00 0.00 O ATOM 1031 C1' G B 3 -2.809 8.927 -0.661 1.00 0.00 C ATOM 1032 N9 G B 3 -4.053 8.162 -0.877 1.00 0.00 N ATOM 1033 C8 G B 3 -4.426 7.461 -1.994 1.00 0.00 C ATOM 1034 N7 G B 3 -5.612 6.924 -1.917 1.00 0.00 N ATOM 1035 C5 G B 3 -6.066 7.298 -0.655 1.00 0.00 C ATOM 1036 C6 G B 3 -7.306 7.019 -0.006 1.00 0.00 C ATOM 1037 O6 G B 3 -8.260 6.378 -0.433 1.00 0.00 O ATOM 1038 N1 G B 3 -7.364 7.579 1.260 1.00 0.00 N ATOM 1039 C2 G B 3 -6.364 8.317 1.835 1.00 0.00 C ATOM 1040 N2 G B 3 -6.591 8.783 3.063 1.00 0.00 N ATOM 1041 N3 G B 3 -5.197 8.589 1.238 1.00 0.00 N ATOM 1042 C4 G B 3 -5.112 8.047 -0.004 1.00 0.00 C ATOM 0 H5' G B 3 -1.670 10.776 2.857 1.00 0.00 H new ATOM 0 H5'' G B 3 -2.999 9.683 2.524 1.00 0.00 H new ATOM 0 H4' G B 3 -0.342 9.513 1.064 1.00 0.00 H new ATOM 0 H3' G B 3 -1.866 11.804 0.707 1.00 0.00 H new ATOM 0 H2' G B 3 -3.965 10.587 0.233 1.00 0.00 H new ATOM 0 HO2' G B 3 -4.246 10.668 -1.985 1.00 0.00 H new ATOM 0 H1' G B 3 -2.231 8.768 -1.571 1.00 0.00 H new ATOM 0 H8 G B 3 -3.792 7.362 -2.863 1.00 0.00 H new ATOM 0 H1 G B 3 -8.214 7.431 1.804 1.00 0.00 H new ATOM 0 H21 G B 3 -5.879 9.339 3.537 1.00 0.00 H new ATOM 0 H22 G B 3 -7.477 8.584 3.528 1.00 0.00 H new ATOM 1054 P A B 4 -0.565 12.405 -1.566 1.00 0.00 P ATOM 1055 OP1 A B 4 0.883 12.678 -1.648 1.00 0.00 O ATOM 1056 OP2 A B 4 -1.452 13.406 -0.933 1.00 0.00 O ATOM 1057 O5' A B 4 -1.083 12.136 -3.068 1.00 0.00 O ATOM 1058 C5' A B 4 -2.004 13.009 -3.691 1.00 0.00 C ATOM 1059 C4' A B 4 -2.011 12.799 -5.206 1.00 0.00 C ATOM 1060 O4' A B 4 -2.654 11.579 -5.547 1.00 0.00 O ATOM 1061 C3' A B 4 -2.820 13.917 -5.859 1.00 0.00 C ATOM 1062 O3' A B 4 -2.420 14.108 -7.202 1.00 0.00 O ATOM 1063 C2' A B 4 -4.229 13.340 -5.813 1.00 0.00 C ATOM 1064 O2' A B 4 -5.050 13.857 -6.838 1.00 0.00 O ATOM 1065 C1' A B 4 -3.980 11.848 -5.984 1.00 0.00 C ATOM 1066 N9 A B 4 -4.982 11.088 -5.215 1.00 0.00 N ATOM 1067 C8 A B 4 -5.373 11.270 -3.913 1.00 0.00 C ATOM 1068 N7 A B 4 -6.305 10.444 -3.518 1.00 0.00 N ATOM 1069 C5 A B 4 -6.554 9.666 -4.648 1.00 0.00 C ATOM 1070 C6 A B 4 -7.458 8.623 -4.920 1.00 0.00 C ATOM 1071 N6 A B 4 -8.313 8.133 -4.021 1.00 0.00 N ATOM 1072 N1 A B 4 -7.472 8.092 -6.147 1.00 0.00 N ATOM 1073 C2 A B 4 -6.637 8.568 -7.063 1.00 0.00 C ATOM 1074 N3 A B 4 -5.734 9.531 -6.946 1.00 0.00 N ATOM 1075 C4 A B 4 -5.747 10.048 -5.688 1.00 0.00 C ATOM 0 H5' A B 4 -1.743 14.043 -3.464 1.00 0.00 H new ATOM 0 H5'' A B 4 -3.003 12.837 -3.291 1.00 0.00 H new ATOM 0 H4' A B 4 -0.976 12.788 -5.548 1.00 0.00 H new ATOM 0 H3' A B 4 -2.709 14.885 -5.371 1.00 0.00 H new ATOM 0 H2' A B 4 -4.764 13.588 -4.896 1.00 0.00 H new ATOM 0 HO2' A B 4 -4.520 13.975 -7.654 1.00 0.00 H new ATOM 0 H1' A B 4 -4.079 11.543 -7.026 1.00 0.00 H new ATOM 0 H8 A B 4 -4.948 12.028 -3.272 1.00 0.00 H new ATOM 0 H61 A B 4 -8.945 7.375 -4.279 1.00 0.00 H new ATOM 0 H62 A B 4 -8.335 8.516 -3.076 1.00 0.00 H new ATOM 0 H2 A B 4 -6.703 8.107 -8.037 1.00 0.00 H new ATOM 1087 P G B 5 -1.387 15.272 -7.607 1.00 0.00 P ATOM 1088 OP1 G B 5 -1.533 16.383 -6.644 1.00 0.00 O ATOM 1089 OP2 G B 5 -1.555 15.537 -9.049 1.00 0.00 O ATOM 1090 O5' G B 5 0.057 14.607 -7.410 1.00 0.00 O ATOM 1091 C5' G B 5 0.856 14.892 -6.279 1.00 0.00 C ATOM 1092 C4' G B 5 2.171 14.124 -6.354 1.00 0.00 C ATOM 1093 O4' G B 5 1.898 12.738 -6.244 1.00 0.00 O ATOM 1094 C3' G B 5 2.897 14.359 -7.680 1.00 0.00 C ATOM 1095 O3' G B 5 4.290 14.335 -7.457 1.00 0.00 O ATOM 1096 C2' G B 5 2.441 13.161 -8.504 1.00 0.00 C ATOM 1097 O2' G B 5 3.383 12.808 -9.498 1.00 0.00 O ATOM 1098 C1' G B 5 2.303 12.089 -7.432 1.00 0.00 C ATOM 1099 N9 G B 5 1.298 11.068 -7.797 1.00 0.00 N ATOM 1100 C8 G B 5 0.017 11.237 -8.252 1.00 0.00 C ATOM 1101 N7 G B 5 -0.651 10.130 -8.410 1.00 0.00 N ATOM 1102 C5 G B 5 0.272 9.142 -8.055 1.00 0.00 C ATOM 1103 C6 G B 5 0.132 7.727 -7.996 1.00 0.00 C ATOM 1104 O6 G B 5 -0.861 7.042 -8.238 1.00 0.00 O ATOM 1105 N1 G B 5 1.307 7.098 -7.600 1.00 0.00 N ATOM 1106 C2 G B 5 2.488 7.746 -7.375 1.00 0.00 C ATOM 1107 N2 G B 5 3.540 6.972 -7.123 1.00 0.00 N ATOM 1108 N3 G B 5 2.632 9.075 -7.398 1.00 0.00 N ATOM 1109 C4 G B 5 1.480 9.712 -7.735 1.00 0.00 C ATOM 0 H5' G B 5 0.320 14.621 -5.369 1.00 0.00 H new ATOM 0 H5'' G B 5 1.055 15.962 -6.226 1.00 0.00 H new ATOM 0 H4' G B 5 2.808 14.476 -5.542 1.00 0.00 H new ATOM 0 H3' G B 5 2.684 15.313 -8.163 1.00 0.00 H new ATOM 0 H2' G B 5 1.527 13.336 -9.071 1.00 0.00 H new ATOM 0 HO2' G B 5 4.271 13.127 -9.235 1.00 0.00 H new ATOM 0 H1' G B 5 3.256 11.574 -7.312 1.00 0.00 H new ATOM 0 H8 G B 5 -0.405 12.209 -8.463 1.00 0.00 H new ATOM 0 H1 G B 5 1.286 6.087 -7.469 1.00 0.00 H new ATOM 0 H21 G B 5 4.452 7.393 -6.946 1.00 0.00 H new ATOM 0 H22 G B 5 3.435 5.958 -7.107 1.00 0.00 H new ATOM 1121 P A B 6 5.057 15.685 -7.045 1.00 0.00 P ATOM 1122 OP1 A B 6 4.565 16.097 -5.712 1.00 0.00 O ATOM 1123 OP2 A B 6 4.950 16.624 -8.181 1.00 0.00 O ATOM 1124 O5' A B 6 6.599 15.260 -6.890 1.00 0.00 O ATOM 1125 C5' A B 6 7.330 14.753 -7.986 1.00 0.00 C ATOM 1126 C4' A B 6 8.809 15.100 -7.825 1.00 0.00 C ATOM 1127 O4' A B 6 9.327 14.440 -6.686 1.00 0.00 O ATOM 1128 C3' A B 6 9.611 14.619 -9.036 1.00 0.00 C ATOM 1129 O3' A B 6 10.656 15.516 -9.341 1.00 0.00 O ATOM 1130 C2' A B 6 10.216 13.326 -8.515 1.00 0.00 C ATOM 1131 O2' A B 6 11.384 12.964 -9.221 1.00 0.00 O ATOM 1132 C1' A B 6 10.492 13.748 -7.080 1.00 0.00 C ATOM 1133 N9 A B 6 10.765 12.599 -6.193 1.00 0.00 N ATOM 1134 C8 A B 6 11.017 11.294 -6.527 1.00 0.00 C ATOM 1135 N7 A B 6 11.270 10.525 -5.502 1.00 0.00 N ATOM 1136 C5 A B 6 11.191 11.388 -4.414 1.00 0.00 C ATOM 1137 C6 A B 6 11.383 11.216 -3.029 1.00 0.00 C ATOM 1138 N6 A B 6 11.730 10.054 -2.469 1.00 0.00 N ATOM 1139 N1 A B 6 11.211 12.272 -2.223 1.00 0.00 N ATOM 1140 C2 A B 6 10.883 13.439 -2.763 1.00 0.00 C ATOM 1141 N3 A B 6 10.687 13.742 -4.036 1.00 0.00 N ATOM 1142 C4 A B 6 10.856 12.649 -4.822 1.00 0.00 C ATOM 0 H5' A B 6 6.947 15.173 -8.916 1.00 0.00 H new ATOM 0 H5'' A B 6 7.205 13.672 -8.050 1.00 0.00 H new ATOM 0 H4' A B 6 8.893 16.182 -7.727 1.00 0.00 H new ATOM 0 H3' A B 6 9.007 14.521 -9.938 1.00 0.00 H new ATOM 0 H2' A B 6 9.594 12.437 -8.618 1.00 0.00 H new ATOM 0 HO2' A B 6 11.764 13.757 -9.653 1.00 0.00 H new ATOM 0 H1' A B 6 11.389 14.364 -7.011 1.00 0.00 H new ATOM 0 H8 A B 6 11.007 10.934 -7.545 1.00 0.00 H new ATOM 0 H61 A B 6 11.854 9.992 -1.459 1.00 0.00 H new ATOM 0 H62 A B 6 11.870 9.229 -3.052 1.00 0.00 H new ATOM 0 H2 A B 6 10.759 14.255 -2.066 1.00 0.00 H new ATOM 1154 P U B 7 10.384 16.893 -10.117 1.00 0.00 P ATOM 1155 OP1 U B 7 9.318 16.658 -11.116 1.00 0.00 O ATOM 1156 OP2 U B 7 11.692 17.433 -10.549 1.00 0.00 O ATOM 1157 O5' U B 7 9.787 17.846 -8.976 1.00 0.00 O ATOM 1158 C5' U B 7 10.630 18.586 -8.119 1.00 0.00 C ATOM 1159 C4' U B 7 10.033 18.548 -6.713 1.00 0.00 C ATOM 1160 O4' U B 7 10.523 17.402 -6.027 1.00 0.00 O ATOM 1161 C3' U B 7 10.491 19.749 -5.901 1.00 0.00 C ATOM 1162 O3' U B 7 9.603 19.945 -4.816 1.00 0.00 O ATOM 1163 C2' U B 7 11.853 19.277 -5.421 1.00 0.00 C ATOM 1164 O2' U B 7 12.262 19.972 -4.261 1.00 0.00 O ATOM 1165 C1' U B 7 11.598 17.788 -5.173 1.00 0.00 C ATOM 1166 N1 U B 7 12.833 17.006 -5.404 1.00 0.00 N ATOM 1167 C2 U B 7 13.773 16.985 -4.383 1.00 0.00 C ATOM 1168 O2 U B 7 13.595 17.545 -3.306 1.00 0.00 O ATOM 1169 N3 U B 7 14.942 16.294 -4.640 1.00 0.00 N ATOM 1170 C4 U B 7 15.248 15.614 -5.804 1.00 0.00 C ATOM 1171 O4 U B 7 16.329 15.047 -5.927 1.00 0.00 O ATOM 1172 C5 U B 7 14.199 15.646 -6.794 1.00 0.00 C ATOM 1173 C6 U B 7 13.049 16.326 -6.576 1.00 0.00 C ATOM 0 H5' U B 7 10.717 19.615 -8.467 1.00 0.00 H new ATOM 0 H5'' U B 7 11.635 18.164 -8.117 1.00 0.00 H new ATOM 0 H4' U B 7 8.948 18.538 -6.814 1.00 0.00 H new ATOM 0 H3' U B 7 10.523 20.696 -6.440 1.00 0.00 H new ATOM 0 H2' U B 7 12.667 19.456 -6.123 1.00 0.00 H new ATOM 0 HO2' U B 7 12.791 19.375 -3.692 1.00 0.00 H new ATOM 0 HO3' U B 7 10.116 20.049 -3.988 1.00 0.00 H new ATOM 0 H1' U B 7 11.319 17.592 -4.138 1.00 0.00 H new ATOM 0 H3 U B 7 15.645 16.285 -3.901 1.00 0.00 H new ATOM 0 H5 U B 7 14.334 15.118 -7.726 1.00 0.00 H new ATOM 0 H6 U B 7 12.286 16.333 -7.340 1.00 0.00 H new TER 1185 U B 7 HETATM 1186 ZN ZN A 187 -3.564 1.467 -11.173 1.00 0.00 ZN HETATM 1187 ZN ZN A 188 4.877 -3.750 6.457 1.00 0.00 ZN