USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=21 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 128 SER OG : rot -90:sc= 1.05 USER MOD Set 1.2: A 183 SER OG : rot 148:sc= 1.22 USER MOD Set 2.1: A 159 LYS NZ :NH3+ 140:sc= 0.103 (180deg=0) USER MOD Set 2.2: B 2 G O2' : rot 57:sc= 1.28 USER MOD Set 3.1: A 150 LYS NZ :NH3+ 175:sc= 0.78 (180deg=0.77) USER MOD Set 3.2: B 4 A O2' : rot 25:sc= 0.287 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl 177:sc= -1.66 (180deg=-1.71) 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 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 ASN : amide:sc= -0.144 K(o=-0.14,f=-7.9!) USER MOD Single : A 148 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.0038) USER MOD Single : A 153 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.124) USER MOD Single : A 157 GLN : amide:sc= -0.704 K(o=-0.7,f=-0.17) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 HIS : no HD1:sc= -1.42 X(o=-1.4,f=-1.5) USER MOD Single : A 165 GLN : amide:sc= -0.621 X(o=-0.62,f=-0.84) USER MOD Single : A 166 SER OG : rot 83:sc= 1.45 USER MOD Single : A 168 SER OG : rot 180:sc= -0.203 USER MOD Single : A 170 MET CE :methyl 180:sc= -3.01! (180deg=-3.01!) USER MOD Single : A 173 SER OG : rot -52:sc= 0.0339 USER MOD Single : A 177 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.029) USER MOD Single : A 179 GLN : amide:sc= -1.29! K(o=-1.3!,f=-0.57) USER MOD Single : A 180 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 185 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : B 1 A O2' : rot -21:sc= -0.0245 USER MOD Single : B 1 A O5' : rot -85:sc= 0.891 USER MOD Single : B 3 G O2' : rot -150:sc= 1.26 USER MOD Single : B 5 G O2' : rot 18:sc= 0.234 USER MOD Single : B 6 A O2' : rot 173:sc= -0.164 USER MOD Single : B 7 U O2' : rot 17:sc= 0.536 USER MOD Single : B 7 U O3' : rot 36:sc= 0.114 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 124 9.853 -8.643 2.150 1.00 0.00 N ATOM 2 CA PRO A 124 10.609 -7.551 2.781 1.00 0.00 C ATOM 3 C PRO A 124 11.386 -6.718 1.773 1.00 0.00 C ATOM 4 O PRO A 124 11.448 -7.054 0.590 1.00 0.00 O ATOM 5 CB PRO A 124 11.511 -8.194 3.834 1.00 0.00 C ATOM 6 CG PRO A 124 10.874 -9.556 4.110 1.00 0.00 C ATOM 7 CD PRO A 124 9.591 -9.535 3.287 1.00 0.00 C ATOM 0 HA PRO A 124 9.929 -6.838 3.248 1.00 0.00 H new ATOM 0 HB2 PRO A 124 12.532 -8.301 3.469 1.00 0.00 H new ATOM 0 HB3 PRO A 124 11.558 -7.588 4.739 1.00 0.00 H new ATOM 0 HG2 PRO A 124 11.530 -10.372 3.807 1.00 0.00 H new ATOM 0 HG3 PRO A 124 10.666 -9.692 5.171 1.00 0.00 H new ATOM 0 HD2 PRO A 124 9.331 -10.537 2.945 1.00 0.00 H new ATOM 0 HD3 PRO A 124 8.752 -9.173 3.881 1.00 0.00 H new ATOM 15 N LYS A 125 11.990 -5.621 2.249 1.00 0.00 N ATOM 16 CA LYS A 125 12.777 -4.701 1.429 1.00 0.00 C ATOM 17 C LYS A 125 13.954 -4.177 2.251 1.00 0.00 C ATOM 18 O LYS A 125 14.161 -4.618 3.383 1.00 0.00 O ATOM 19 CB LYS A 125 11.884 -3.550 0.943 1.00 0.00 C ATOM 20 CG LYS A 125 10.882 -3.998 -0.129 1.00 0.00 C ATOM 21 CD LYS A 125 11.595 -4.354 -1.431 1.00 0.00 C ATOM 22 CE LYS A 125 10.575 -4.784 -2.477 1.00 0.00 C ATOM 23 NZ LYS A 125 11.216 -5.054 -3.776 1.00 0.00 N ATOM 0 H LYS A 125 11.943 -5.347 3.230 1.00 0.00 H new ATOM 0 HA LYS A 125 13.168 -5.219 0.554 1.00 0.00 H new ATOM 0 HB2 LYS A 125 11.342 -3.132 1.791 1.00 0.00 H new ATOM 0 HB3 LYS A 125 12.510 -2.753 0.541 1.00 0.00 H new ATOM 0 HG2 LYS A 125 10.321 -4.861 0.230 1.00 0.00 H new ATOM 0 HG3 LYS A 125 10.160 -3.202 -0.312 1.00 0.00 H new ATOM 0 HD2 LYS A 125 12.161 -3.496 -1.793 1.00 0.00 H new ATOM 0 HD3 LYS A 125 12.311 -5.157 -1.256 1.00 0.00 H new ATOM 0 HE2 LYS A 125 10.055 -5.678 -2.134 1.00 0.00 H new ATOM 0 HE3 LYS A 125 9.823 -4.004 -2.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 10.494 -5.344 -4.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 11.691 -4.193 -4.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 11.916 -5.815 -3.666 1.00 0.00 H new ATOM 37 N GLY A 126 14.723 -3.242 1.689 1.00 0.00 N ATOM 38 CA GLY A 126 15.910 -2.711 2.328 1.00 0.00 C ATOM 39 C GLY A 126 15.911 -1.189 2.317 1.00 0.00 C ATOM 40 O GLY A 126 14.946 -0.566 1.876 1.00 0.00 O ATOM 0 H GLY A 126 14.532 -2.836 0.773 1.00 0.00 H new ATOM 0 HA2 GLY A 126 15.963 -3.069 3.356 1.00 0.00 H new ATOM 0 HA3 GLY A 126 16.798 -3.081 1.815 1.00 0.00 H new ATOM 44 N LYS A 127 17.010 -0.602 2.809 1.00 0.00 N ATOM 45 CA LYS A 127 17.196 0.836 2.954 1.00 0.00 C ATOM 46 C LYS A 127 16.084 1.487 3.773 1.00 0.00 C ATOM 47 O LYS A 127 15.197 0.812 4.290 1.00 0.00 O ATOM 48 CB LYS A 127 17.309 1.486 1.575 1.00 0.00 C ATOM 49 CG LYS A 127 18.401 0.817 0.747 1.00 0.00 C ATOM 50 CD LYS A 127 18.515 1.542 -0.591 1.00 0.00 C ATOM 51 CE LYS A 127 19.617 0.886 -1.424 1.00 0.00 C ATOM 52 NZ LYS A 127 19.870 1.644 -2.661 1.00 0.00 N ATOM 0 H LYS A 127 17.817 -1.139 3.126 1.00 0.00 H new ATOM 0 HA LYS A 127 18.123 0.996 3.505 1.00 0.00 H new ATOM 0 HB2 LYS A 127 16.355 1.411 1.054 1.00 0.00 H new ATOM 0 HB3 LYS A 127 17.530 2.548 1.686 1.00 0.00 H new ATOM 0 HG2 LYS A 127 19.352 0.852 1.278 1.00 0.00 H new ATOM 0 HG3 LYS A 127 18.163 -0.235 0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 127 17.565 1.499 -1.124 1.00 0.00 H new ATOM 0 HD3 LYS A 127 18.743 2.596 -0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 127 20.533 0.826 -0.837 1.00 0.00 H new ATOM 0 HE3 LYS A 127 19.330 -0.136 -1.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 20.622 1.177 -3.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 19.000 1.680 -3.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 20.167 2.611 -2.421 1.00 0.00 H new ATOM 66 N SER A 128 16.138 2.816 3.889 1.00 0.00 N ATOM 67 CA SER A 128 15.149 3.575 4.631 1.00 0.00 C ATOM 68 C SER A 128 15.166 5.039 4.213 1.00 0.00 C ATOM 69 O SER A 128 16.148 5.526 3.648 1.00 0.00 O ATOM 70 CB SER A 128 15.471 3.462 6.120 1.00 0.00 C ATOM 71 OG SER A 128 16.734 4.037 6.379 1.00 0.00 O ATOM 0 H SER A 128 16.870 3.388 3.469 1.00 0.00 H new ATOM 0 HA SER A 128 14.157 3.175 4.424 1.00 0.00 H new ATOM 0 HB2 SER A 128 14.704 3.967 6.707 1.00 0.00 H new ATOM 0 HB3 SER A 128 15.468 2.415 6.424 1.00 0.00 H new ATOM 0 HG SER A 128 17.429 3.352 6.291 1.00 0.00 H new ATOM 77 N MET A 129 14.065 5.738 4.502 1.00 0.00 N ATOM 78 CA MET A 129 13.898 7.154 4.212 1.00 0.00 C ATOM 79 C MET A 129 13.075 7.784 5.330 1.00 0.00 C ATOM 80 O MET A 129 12.397 7.072 6.068 1.00 0.00 O ATOM 81 CB MET A 129 13.204 7.354 2.864 1.00 0.00 C ATOM 82 CG MET A 129 14.107 6.978 1.679 1.00 0.00 C ATOM 83 SD MET A 129 14.226 5.212 1.285 1.00 0.00 S ATOM 84 CE MET A 129 12.552 4.938 0.658 1.00 0.00 C ATOM 0 H MET A 129 13.251 5.321 4.954 1.00 0.00 H new ATOM 0 HA MET A 129 14.876 7.632 4.155 1.00 0.00 H new ATOM 0 HB2 MET A 129 12.297 6.750 2.832 1.00 0.00 H new ATOM 0 HB3 MET A 129 12.897 8.395 2.767 1.00 0.00 H new ATOM 0 HG2 MET A 129 13.745 7.502 0.794 1.00 0.00 H new ATOM 0 HG3 MET A 129 15.111 7.351 1.882 1.00 0.00 H new ATOM 0 HE1 MET A 129 12.456 3.908 0.315 1.00 0.00 H new ATOM 0 HE2 MET A 129 11.831 5.124 1.454 1.00 0.00 H new ATOM 0 HE3 MET A 129 12.359 5.617 -0.173 1.00 0.00 H new ATOM 94 N GLN A 130 13.123 9.116 5.463 1.00 0.00 N ATOM 95 CA GLN A 130 12.462 9.820 6.557 1.00 0.00 C ATOM 96 C GLN A 130 11.829 11.133 6.103 1.00 0.00 C ATOM 97 O GLN A 130 11.058 11.731 6.853 1.00 0.00 O ATOM 98 CB GLN A 130 13.479 10.088 7.665 1.00 0.00 C ATOM 99 CG GLN A 130 14.060 8.785 8.209 1.00 0.00 C ATOM 100 CD GLN A 130 15.106 9.048 9.286 1.00 0.00 C ATOM 101 OE1 GLN A 130 16.301 8.922 9.040 1.00 0.00 O ATOM 102 NE2 GLN A 130 14.675 9.418 10.491 1.00 0.00 N ATOM 0 H GLN A 130 13.620 9.729 4.816 1.00 0.00 H new ATOM 0 HA GLN A 130 11.655 9.186 6.926 1.00 0.00 H new ATOM 0 HB2 GLN A 130 14.283 10.715 7.280 1.00 0.00 H new ATOM 0 HB3 GLN A 130 13.002 10.642 8.474 1.00 0.00 H new ATOM 0 HG2 GLN A 130 13.258 8.172 8.621 1.00 0.00 H new ATOM 0 HG3 GLN A 130 14.510 8.217 7.394 1.00 0.00 H new ATOM 0 HE21 GLN A 130 13.675 9.515 10.667 1.00 0.00 H new ATOM 0 HE22 GLN A 130 15.345 9.604 11.237 1.00 0.00 H new ATOM 111 N LYS A 131 12.146 11.587 4.891 1.00 0.00 N ATOM 112 CA LYS A 131 11.572 12.816 4.350 1.00 0.00 C ATOM 113 C LYS A 131 11.537 12.786 2.820 1.00 0.00 C ATOM 114 O LYS A 131 11.070 13.726 2.184 1.00 0.00 O ATOM 115 CB LYS A 131 12.394 13.994 4.880 1.00 0.00 C ATOM 116 CG LYS A 131 11.864 15.386 4.539 1.00 0.00 C ATOM 117 CD LYS A 131 10.424 15.646 5.004 1.00 0.00 C ATOM 118 CE LYS A 131 9.421 15.152 3.963 1.00 0.00 C ATOM 119 NZ LYS A 131 8.044 15.537 4.305 1.00 0.00 N ATOM 0 H LYS A 131 12.800 11.119 4.264 1.00 0.00 H new ATOM 0 HA LYS A 131 10.536 12.921 4.673 1.00 0.00 H new ATOM 0 HB2 LYS A 131 12.460 13.907 5.965 1.00 0.00 H new ATOM 0 HB3 LYS A 131 13.409 13.908 4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 131 12.519 16.132 4.990 1.00 0.00 H new ATOM 0 HG3 LYS A 131 11.916 15.527 3.459 1.00 0.00 H new ATOM 0 HD2 LYS A 131 10.247 15.142 5.954 1.00 0.00 H new ATOM 0 HD3 LYS A 131 10.280 16.712 5.177 1.00 0.00 H new ATOM 0 HE2 LYS A 131 9.680 15.560 2.986 1.00 0.00 H new ATOM 0 HE3 LYS A 131 9.486 14.067 3.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 7.393 15.184 3.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 7.787 15.127 5.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 7.976 16.573 4.357 1.00 0.00 H new ATOM 133 N ARG A 132 12.030 11.696 2.222 1.00 0.00 N ATOM 134 CA ARG A 132 12.096 11.525 0.777 1.00 0.00 C ATOM 135 C ARG A 132 11.690 10.101 0.413 1.00 0.00 C ATOM 136 O ARG A 132 11.208 9.350 1.258 1.00 0.00 O ATOM 137 CB ARG A 132 13.497 11.865 0.276 1.00 0.00 C ATOM 138 CG ARG A 132 13.781 13.353 0.474 1.00 0.00 C ATOM 139 CD ARG A 132 15.085 13.703 -0.234 1.00 0.00 C ATOM 140 NE ARG A 132 15.312 15.154 -0.240 1.00 0.00 N ATOM 141 CZ ARG A 132 15.916 15.842 0.728 1.00 0.00 C ATOM 142 NH1 ARG A 132 16.420 15.243 1.805 1.00 0.00 N ATOM 143 NH2 ARG A 132 16.018 17.163 0.615 1.00 0.00 N ATOM 0 H ARG A 132 12.398 10.899 2.741 1.00 0.00 H new ATOM 0 HA ARG A 132 11.400 12.207 0.289 1.00 0.00 H new ATOM 0 HB2 ARG A 132 14.237 11.271 0.813 1.00 0.00 H new ATOM 0 HB3 ARG A 132 13.586 11.607 -0.779 1.00 0.00 H new ATOM 0 HG2 ARG A 132 12.962 13.950 0.073 1.00 0.00 H new ATOM 0 HG3 ARG A 132 13.854 13.585 1.536 1.00 0.00 H new ATOM 0 HD2 ARG A 132 15.917 13.204 0.263 1.00 0.00 H new ATOM 0 HD3 ARG A 132 15.057 13.332 -1.259 1.00 0.00 H new ATOM 0 HE ARG A 132 14.981 15.677 -1.050 1.00 0.00 H new ATOM 0 HH11 ARG A 132 16.349 14.230 1.905 1.00 0.00 H new ATOM 0 HH12 ARG A 132 16.877 15.797 2.530 1.00 0.00 H new ATOM 0 HH21 ARG A 132 15.637 17.636 -0.204 1.00 0.00 H new ATOM 0 HH22 ARG A 132 16.478 17.704 1.348 1.00 0.00 H new ATOM 157 N ARG A 133 11.879 9.723 -0.854 1.00 0.00 N ATOM 158 CA ARG A 133 11.487 8.413 -1.349 1.00 0.00 C ATOM 159 C ARG A 133 12.558 7.880 -2.298 1.00 0.00 C ATOM 160 O ARG A 133 13.571 8.538 -2.521 1.00 0.00 O ATOM 161 CB ARG A 133 10.139 8.524 -2.062 1.00 0.00 C ATOM 162 CG ARG A 133 9.045 9.003 -1.110 1.00 0.00 C ATOM 163 CD ARG A 133 7.721 9.060 -1.863 1.00 0.00 C ATOM 164 NE ARG A 133 6.667 9.653 -1.035 1.00 0.00 N ATOM 165 CZ ARG A 133 5.502 10.108 -1.508 1.00 0.00 C ATOM 166 NH1 ARG A 133 5.222 10.016 -2.803 1.00 0.00 N ATOM 167 NH2 ARG A 133 4.615 10.654 -0.684 1.00 0.00 N ATOM 0 H ARG A 133 12.308 10.321 -1.560 1.00 0.00 H new ATOM 0 HA ARG A 133 11.387 7.717 -0.516 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.224 9.217 -2.899 1.00 0.00 H new ATOM 0 HB3 ARG A 133 9.864 7.554 -2.477 1.00 0.00 H new ATOM 0 HG2 ARG A 133 8.965 8.327 -0.258 1.00 0.00 H new ATOM 0 HG3 ARG A 133 9.295 9.987 -0.714 1.00 0.00 H new ATOM 0 HD2 ARG A 133 7.843 9.644 -2.775 1.00 0.00 H new ATOM 0 HD3 ARG A 133 7.428 8.055 -2.165 1.00 0.00 H new ATOM 0 HE ARG A 133 6.833 9.723 -0.031 1.00 0.00 H new ATOM 0 HH11 ARG A 133 5.897 9.597 -3.442 1.00 0.00 H new ATOM 0 HH12 ARG A 133 4.332 10.365 -3.158 1.00 0.00 H new ATOM 0 HH21 ARG A 133 4.822 10.727 0.312 1.00 0.00 H new ATOM 0 HH22 ARG A 133 3.727 11.000 -1.047 1.00 0.00 H new ATOM 181 N SER A 134 12.323 6.693 -2.846 1.00 0.00 N ATOM 182 CA SER A 134 13.247 6.058 -3.771 1.00 0.00 C ATOM 183 C SER A 134 12.534 5.789 -5.096 1.00 0.00 C ATOM 184 O SER A 134 11.304 5.807 -5.162 1.00 0.00 O ATOM 185 CB SER A 134 13.769 4.770 -3.139 1.00 0.00 C ATOM 186 OG SER A 134 14.785 4.213 -3.945 1.00 0.00 O ATOM 0 H SER A 134 11.483 6.145 -2.659 1.00 0.00 H new ATOM 0 HA SER A 134 14.097 6.709 -3.976 1.00 0.00 H new ATOM 0 HB2 SER A 134 14.157 4.976 -2.141 1.00 0.00 H new ATOM 0 HB3 SER A 134 12.954 4.056 -3.023 1.00 0.00 H new ATOM 0 HG SER A 134 15.115 3.388 -3.531 1.00 0.00 H new ATOM 192 N LYS A 135 13.308 5.538 -6.153 1.00 0.00 N ATOM 193 CA LYS A 135 12.770 5.297 -7.481 1.00 0.00 C ATOM 194 C LYS A 135 12.016 3.981 -7.544 1.00 0.00 C ATOM 195 O LYS A 135 12.110 3.151 -6.642 1.00 0.00 O ATOM 196 CB LYS A 135 13.913 5.286 -8.490 1.00 0.00 C ATOM 197 CG LYS A 135 14.480 6.697 -8.619 1.00 0.00 C ATOM 198 CD LYS A 135 15.640 6.741 -9.615 1.00 0.00 C ATOM 199 CE LYS A 135 16.795 5.866 -9.138 1.00 0.00 C ATOM 200 NZ LYS A 135 17.946 5.952 -10.052 1.00 0.00 N ATOM 0 H LYS A 135 14.326 5.497 -6.106 1.00 0.00 H new ATOM 0 HA LYS A 135 12.067 6.096 -7.719 1.00 0.00 H new ATOM 0 HB2 LYS A 135 14.692 4.596 -8.167 1.00 0.00 H new ATOM 0 HB3 LYS A 135 13.556 4.934 -9.458 1.00 0.00 H new ATOM 0 HG2 LYS A 135 13.694 7.379 -8.943 1.00 0.00 H new ATOM 0 HG3 LYS A 135 14.822 7.044 -7.644 1.00 0.00 H new ATOM 0 HD2 LYS A 135 15.299 6.400 -10.593 1.00 0.00 H new ATOM 0 HD3 LYS A 135 15.982 7.769 -9.737 1.00 0.00 H new ATOM 0 HE2 LYS A 135 17.099 6.175 -8.138 1.00 0.00 H new ATOM 0 HE3 LYS A 135 16.463 4.830 -9.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 18.715 5.346 -9.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 17.661 5.634 -11.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 18.277 6.937 -10.102 1.00 0.00 H new ATOM 214 N GLY A 136 11.260 3.796 -8.623 1.00 0.00 N ATOM 215 CA GLY A 136 10.542 2.561 -8.879 1.00 0.00 C ATOM 216 C GLY A 136 9.040 2.695 -8.640 1.00 0.00 C ATOM 217 O GLY A 136 8.343 1.690 -8.545 1.00 0.00 O ATOM 0 H GLY A 136 11.131 4.505 -9.345 1.00 0.00 H new ATOM 0 HA2 GLY A 136 10.716 2.251 -9.909 1.00 0.00 H new ATOM 0 HA3 GLY A 136 10.939 1.774 -8.238 1.00 0.00 H new ATOM 221 N ASP A 137 8.535 3.927 -8.533 1.00 0.00 N ATOM 222 CA ASP A 137 7.124 4.178 -8.276 1.00 0.00 C ATOM 223 C ASP A 137 6.225 3.577 -9.360 1.00 0.00 C ATOM 224 O ASP A 137 6.649 3.376 -10.496 1.00 0.00 O ATOM 225 CB ASP A 137 6.885 5.682 -8.132 1.00 0.00 C ATOM 226 CG ASP A 137 7.371 6.460 -9.346 1.00 0.00 C ATOM 227 OD1 ASP A 137 8.602 6.635 -9.473 1.00 0.00 O ATOM 228 OD2 ASP A 137 6.504 6.882 -10.147 1.00 0.00 O ATOM 0 H ASP A 137 9.096 4.774 -8.623 1.00 0.00 H new ATOM 0 HA ASP A 137 6.857 3.684 -7.342 1.00 0.00 H new ATOM 0 HB2 ASP A 137 5.821 5.867 -7.986 1.00 0.00 H new ATOM 0 HB3 ASP A 137 7.396 6.046 -7.241 1.00 0.00 H new ATOM 233 N ARG A 138 4.973 3.287 -8.986 1.00 0.00 N ATOM 234 CA ARG A 138 3.975 2.660 -9.843 1.00 0.00 C ATOM 235 C ARG A 138 2.578 3.174 -9.471 1.00 0.00 C ATOM 236 O ARG A 138 2.446 3.919 -8.503 1.00 0.00 O ATOM 237 CB ARG A 138 4.054 1.141 -9.658 1.00 0.00 C ATOM 238 CG ARG A 138 5.253 0.535 -10.400 1.00 0.00 C ATOM 239 CD ARG A 138 5.348 -0.966 -10.135 1.00 0.00 C ATOM 240 NE ARG A 138 6.701 -1.475 -10.389 1.00 0.00 N ATOM 241 CZ ARG A 138 7.634 -1.656 -9.448 1.00 0.00 C ATOM 242 NH1 ARG A 138 7.387 -1.384 -8.171 1.00 0.00 N ATOM 243 NH2 ARG A 138 8.833 -2.116 -9.782 1.00 0.00 N ATOM 0 H ARG A 138 4.622 3.490 -8.050 1.00 0.00 H new ATOM 0 HA ARG A 138 4.166 2.908 -10.887 1.00 0.00 H new ATOM 0 HB2 ARG A 138 4.129 0.908 -8.596 1.00 0.00 H new ATOM 0 HB3 ARG A 138 3.134 0.683 -10.020 1.00 0.00 H new ATOM 0 HG2 ARG A 138 5.154 0.715 -11.470 1.00 0.00 H new ATOM 0 HG3 ARG A 138 6.172 1.025 -10.078 1.00 0.00 H new ATOM 0 HD2 ARG A 138 5.069 -1.172 -9.102 1.00 0.00 H new ATOM 0 HD3 ARG A 138 4.635 -1.494 -10.769 1.00 0.00 H new ATOM 0 HE ARG A 138 6.947 -1.707 -11.351 1.00 0.00 H new ATOM 0 HH11 ARG A 138 6.472 -1.030 -7.893 1.00 0.00 H new ATOM 0 HH12 ARG A 138 8.113 -1.529 -7.469 1.00 0.00 H new ATOM 0 HH21 ARG A 138 9.043 -2.332 -10.757 1.00 0.00 H new ATOM 0 HH22 ARG A 138 9.544 -2.254 -9.064 1.00 0.00 H new ATOM 257 N CYS A 139 1.553 2.780 -10.230 1.00 0.00 N ATOM 258 CA CYS A 139 0.156 3.099 -9.965 1.00 0.00 C ATOM 259 C CYS A 139 -0.148 2.870 -8.486 1.00 0.00 C ATOM 260 O CYS A 139 -0.096 1.741 -7.999 1.00 0.00 O ATOM 261 CB CYS A 139 -0.728 2.236 -10.882 1.00 0.00 C ATOM 262 SG CYS A 139 -2.442 2.136 -10.292 1.00 0.00 S ATOM 0 H CYS A 139 1.680 2.214 -11.069 1.00 0.00 H new ATOM 0 HA CYS A 139 -0.053 4.147 -10.180 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -0.717 2.651 -11.890 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -0.309 1.232 -10.946 1.00 0.00 H new ATOM 267 N TYR A 140 -0.467 3.959 -7.779 1.00 0.00 N ATOM 268 CA TYR A 140 -0.741 3.939 -6.346 1.00 0.00 C ATOM 269 C TYR A 140 -2.011 3.161 -6.006 1.00 0.00 C ATOM 270 O TYR A 140 -2.404 3.112 -4.841 1.00 0.00 O ATOM 271 CB TYR A 140 -0.870 5.374 -5.826 1.00 0.00 C ATOM 272 CG TYR A 140 0.372 6.229 -5.914 1.00 0.00 C ATOM 273 CD1 TYR A 140 1.649 5.657 -6.041 1.00 0.00 C ATOM 274 CD2 TYR A 140 0.235 7.625 -5.858 1.00 0.00 C ATOM 275 CE1 TYR A 140 2.783 6.476 -6.112 1.00 0.00 C ATOM 276 CE2 TYR A 140 1.366 8.452 -5.923 1.00 0.00 C ATOM 277 CZ TYR A 140 2.650 7.879 -6.049 1.00 0.00 C ATOM 278 OH TYR A 140 3.763 8.661 -6.103 1.00 0.00 O ATOM 0 H TYR A 140 -0.542 4.888 -8.194 1.00 0.00 H new ATOM 0 HA TYR A 140 0.095 3.432 -5.864 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -1.667 5.869 -6.381 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -1.185 5.334 -4.783 1.00 0.00 H new ATOM 0 HD1 TYR A 140 1.756 4.583 -6.084 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -0.747 8.065 -5.764 1.00 0.00 H new ATOM 0 HE1 TYR A 140 3.762 6.032 -6.215 1.00 0.00 H new ATOM 0 HE2 TYR A 140 1.255 9.525 -5.877 1.00 0.00 H new ATOM 0 HH TYR A 140 3.503 9.604 -6.049 1.00 0.00 H new ATOM 288 N ASN A 141 -2.661 2.550 -7.002 1.00 0.00 N ATOM 289 CA ASN A 141 -3.884 1.810 -6.760 1.00 0.00 C ATOM 290 C ASN A 141 -3.690 0.324 -7.035 1.00 0.00 C ATOM 291 O ASN A 141 -4.185 -0.501 -6.274 1.00 0.00 O ATOM 292 CB ASN A 141 -4.992 2.384 -7.648 1.00 0.00 C ATOM 293 CG ASN A 141 -6.349 1.789 -7.311 1.00 0.00 C ATOM 294 OD1 ASN A 141 -6.809 1.894 -6.182 1.00 0.00 O ATOM 295 ND2 ASN A 141 -7.003 1.158 -8.282 1.00 0.00 N ATOM 0 H ASN A 141 -2.355 2.558 -7.975 1.00 0.00 H new ATOM 0 HA ASN A 141 -4.164 1.912 -5.711 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -5.030 3.467 -7.528 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -4.758 2.187 -8.694 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -7.916 0.744 -8.096 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -6.591 1.088 -9.213 1.00 0.00 H new ATOM 302 N CYS A 142 -2.981 -0.046 -8.104 1.00 0.00 N ATOM 303 CA CYS A 142 -2.900 -1.448 -8.482 1.00 0.00 C ATOM 304 C CYS A 142 -1.460 -1.944 -8.481 1.00 0.00 C ATOM 305 O CYS A 142 -1.190 -3.093 -8.135 1.00 0.00 O ATOM 306 CB CYS A 142 -3.587 -1.610 -9.836 1.00 0.00 C ATOM 307 SG CYS A 142 -2.471 -1.204 -11.190 1.00 0.00 S ATOM 0 H CYS A 142 -2.467 0.595 -8.709 1.00 0.00 H new ATOM 0 HA CYS A 142 -3.414 -2.070 -7.750 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -3.939 -2.636 -9.947 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -4.465 -0.965 -9.880 1.00 0.00 H new ATOM 312 N GLY A 143 -0.537 -1.069 -8.870 1.00 0.00 N ATOM 313 CA GLY A 143 0.877 -1.374 -8.860 1.00 0.00 C ATOM 314 C GLY A 143 1.426 -1.516 -10.275 1.00 0.00 C ATOM 315 O GLY A 143 2.536 -2.011 -10.448 1.00 0.00 O ATOM 0 H GLY A 143 -0.756 -0.129 -9.200 1.00 0.00 H new ATOM 0 HA2 GLY A 143 1.417 -0.585 -8.336 1.00 0.00 H new ATOM 0 HA3 GLY A 143 1.047 -2.298 -8.308 1.00 0.00 H new ATOM 319 N GLY A 144 0.667 -1.089 -11.287 1.00 0.00 N ATOM 320 CA GLY A 144 1.123 -1.109 -12.661 1.00 0.00 C ATOM 321 C GLY A 144 2.089 0.031 -12.935 1.00 0.00 C ATOM 322 O GLY A 144 2.187 0.965 -12.146 1.00 0.00 O ATOM 0 H GLY A 144 -0.277 -0.722 -11.168 1.00 0.00 H new ATOM 0 HA2 GLY A 144 1.610 -2.061 -12.871 1.00 0.00 H new ATOM 0 HA3 GLY A 144 0.267 -1.034 -13.332 1.00 0.00 H new ATOM 326 N LEU A 145 2.814 -0.031 -14.051 1.00 0.00 N ATOM 327 CA LEU A 145 3.876 0.923 -14.350 1.00 0.00 C ATOM 328 C LEU A 145 3.567 1.725 -15.603 1.00 0.00 C ATOM 329 O LEU A 145 4.129 2.798 -15.806 1.00 0.00 O ATOM 330 CB LEU A 145 5.232 0.231 -14.532 1.00 0.00 C ATOM 331 CG LEU A 145 5.156 -1.268 -14.811 1.00 0.00 C ATOM 332 CD1 LEU A 145 6.479 -1.736 -15.409 1.00 0.00 C ATOM 333 CD2 LEU A 145 4.936 -2.020 -13.502 1.00 0.00 C ATOM 0 H LEU A 145 2.681 -0.742 -14.770 1.00 0.00 H new ATOM 0 HA LEU A 145 3.931 1.594 -13.493 1.00 0.00 H new ATOM 0 HB2 LEU A 145 5.762 0.712 -15.354 1.00 0.00 H new ATOM 0 HB3 LEU A 145 5.828 0.389 -13.633 1.00 0.00 H new ATOM 0 HG LEU A 145 4.334 -1.462 -15.501 1.00 0.00 H new ATOM 0 HD11 LEU A 145 6.429 -2.806 -15.610 1.00 0.00 H new ATOM 0 HD12 LEU A 145 6.667 -1.201 -16.340 1.00 0.00 H new ATOM 0 HD13 LEU A 145 7.287 -1.536 -14.705 1.00 0.00 H new ATOM 0 HD21 LEU A 145 4.882 -3.090 -13.702 1.00 0.00 H new ATOM 0 HD22 LEU A 145 5.765 -1.819 -12.823 1.00 0.00 H new ATOM 0 HD23 LEU A 145 4.004 -1.689 -13.044 1.00 0.00 H new ATOM 345 N ASP A 146 2.670 1.204 -16.441 1.00 0.00 N ATOM 346 CA ASP A 146 2.302 1.842 -17.686 1.00 0.00 C ATOM 347 C ASP A 146 1.236 2.924 -17.465 1.00 0.00 C ATOM 348 O ASP A 146 0.825 3.606 -18.400 1.00 0.00 O ATOM 349 CB ASP A 146 1.828 0.744 -18.643 1.00 0.00 C ATOM 350 CG ASP A 146 1.345 1.307 -19.974 1.00 0.00 C ATOM 351 OD1 ASP A 146 2.196 1.864 -20.703 1.00 0.00 O ATOM 352 OD2 ASP A 146 0.134 1.178 -20.255 1.00 0.00 O ATOM 0 H ASP A 146 2.182 0.325 -16.267 1.00 0.00 H new ATOM 0 HA ASP A 146 3.158 2.359 -18.120 1.00 0.00 H new ATOM 0 HB2 ASP A 146 2.644 0.044 -18.822 1.00 0.00 H new ATOM 0 HB3 ASP A 146 1.021 0.180 -18.175 1.00 0.00 H new ATOM 357 N HIS A 147 0.785 3.090 -16.220 1.00 0.00 N ATOM 358 CA HIS A 147 -0.269 4.039 -15.889 1.00 0.00 C ATOM 359 C HIS A 147 -0.156 4.477 -14.428 1.00 0.00 C ATOM 360 O HIS A 147 0.776 4.078 -13.725 1.00 0.00 O ATOM 361 CB HIS A 147 -1.627 3.372 -16.133 1.00 0.00 C ATOM 362 CG HIS A 147 -1.874 2.177 -15.254 1.00 0.00 C ATOM 363 ND1 HIS A 147 -1.468 0.882 -15.474 1.00 0.00 N ATOM 364 CD2 HIS A 147 -2.553 2.194 -14.067 1.00 0.00 C ATOM 365 CE1 HIS A 147 -1.881 0.141 -14.432 1.00 0.00 C ATOM 366 NE2 HIS A 147 -2.556 0.899 -13.543 1.00 0.00 N ATOM 0 H HIS A 147 1.142 2.570 -15.418 1.00 0.00 H new ATOM 0 HA HIS A 147 -0.171 4.924 -16.518 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -2.418 4.104 -15.968 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -1.690 3.065 -17.177 1.00 0.00 H new ATOM 0 HD1 HIS A 147 -0.947 0.544 -16.283 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -3.009 3.061 -13.612 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -1.698 -0.918 -14.321 1.00 0.00 H new ATOM 374 N HIS A 148 -1.100 5.300 -13.966 1.00 0.00 N ATOM 375 CA HIS A 148 -1.142 5.785 -12.591 1.00 0.00 C ATOM 376 C HIS A 148 -2.508 5.511 -11.975 1.00 0.00 C ATOM 377 O HIS A 148 -3.442 5.139 -12.677 1.00 0.00 O ATOM 378 CB HIS A 148 -0.809 7.281 -12.561 1.00 0.00 C ATOM 379 CG HIS A 148 0.629 7.571 -12.901 1.00 0.00 C ATOM 380 ND1 HIS A 148 1.077 8.576 -13.764 1.00 0.00 N ATOM 381 CD2 HIS A 148 1.707 6.887 -12.414 1.00 0.00 C ATOM 382 CE1 HIS A 148 2.413 8.469 -13.767 1.00 0.00 C ATOM 383 NE2 HIS A 148 2.815 7.459 -12.976 1.00 0.00 N ATOM 0 H HIS A 148 -1.863 5.650 -14.545 1.00 0.00 H new ATOM 0 HA HIS A 148 -0.397 5.255 -11.997 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -1.456 7.806 -13.264 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -1.029 7.677 -11.569 1.00 0.00 H new ATOM 0 HD2 HIS A 148 1.688 6.058 -11.722 1.00 0.00 H new ATOM 0 HE1 HIS A 148 3.077 9.108 -14.329 1.00 0.00 H new ATOM 0 HE2 HIS A 148 3.781 7.169 -12.821 1.00 0.00 H new ATOM 391 N ALA A 149 -2.634 5.697 -10.659 1.00 0.00 N ATOM 392 CA ALA A 149 -3.842 5.365 -9.917 1.00 0.00 C ATOM 393 C ALA A 149 -5.083 6.061 -10.468 1.00 0.00 C ATOM 394 O ALA A 149 -6.185 5.530 -10.375 1.00 0.00 O ATOM 395 CB ALA A 149 -3.633 5.765 -8.457 1.00 0.00 C ATOM 0 H ALA A 149 -1.891 6.086 -10.078 1.00 0.00 H new ATOM 0 HA ALA A 149 -4.015 4.293 -10.013 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -4.527 5.525 -7.882 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -2.782 5.220 -8.049 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -3.440 6.836 -8.397 1.00 0.00 H new ATOM 401 N LYS A 150 -4.900 7.249 -11.044 1.00 0.00 N ATOM 402 CA LYS A 150 -5.982 8.030 -11.630 1.00 0.00 C ATOM 403 C LYS A 150 -6.350 7.540 -13.025 1.00 0.00 C ATOM 404 O LYS A 150 -7.383 7.915 -13.572 1.00 0.00 O ATOM 405 CB LYS A 150 -5.532 9.485 -11.703 1.00 0.00 C ATOM 406 CG LYS A 150 -4.250 9.626 -12.545 1.00 0.00 C ATOM 407 CD LYS A 150 -3.547 10.943 -12.241 1.00 0.00 C ATOM 408 CE LYS A 150 -3.000 10.906 -10.812 1.00 0.00 C ATOM 409 NZ LYS A 150 -2.492 12.230 -10.423 1.00 0.00 N ATOM 0 H LYS A 150 -3.987 7.698 -11.116 1.00 0.00 H new ATOM 0 HA LYS A 150 -6.868 7.922 -11.005 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -6.325 10.093 -12.138 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.354 9.865 -10.697 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -3.579 8.793 -12.336 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.498 9.577 -13.605 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.735 11.107 -12.949 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -4.242 11.775 -12.355 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -3.785 10.594 -10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -2.201 10.168 -10.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -2.202 12.211 -9.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -1.674 12.476 -11.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -3.240 12.941 -10.553 1.00 0.00 H new ATOM 423 N GLU A 151 -5.492 6.700 -13.603 1.00 0.00 N ATOM 424 CA GLU A 151 -5.695 6.105 -14.923 1.00 0.00 C ATOM 425 C GLU A 151 -6.000 4.615 -14.826 1.00 0.00 C ATOM 426 O GLU A 151 -6.277 3.975 -15.840 1.00 0.00 O ATOM 427 CB GLU A 151 -4.445 6.296 -15.784 1.00 0.00 C ATOM 428 CG GLU A 151 -3.813 7.671 -15.591 1.00 0.00 C ATOM 429 CD GLU A 151 -2.670 7.887 -16.568 1.00 0.00 C ATOM 430 OE1 GLU A 151 -1.754 7.035 -16.583 1.00 0.00 O ATOM 431 OE2 GLU A 151 -2.714 8.901 -17.296 1.00 0.00 O ATOM 0 H GLU A 151 -4.621 6.409 -13.159 1.00 0.00 H new ATOM 0 HA GLU A 151 -6.548 6.608 -15.379 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -3.715 5.525 -15.537 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -4.706 6.163 -16.834 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -4.568 8.445 -15.732 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -3.446 7.766 -14.569 1.00 0.00 H new ATOM 438 N CYS A 152 -5.951 4.064 -13.610 1.00 0.00 N ATOM 439 CA CYS A 152 -6.151 2.646 -13.368 1.00 0.00 C ATOM 440 C CYS A 152 -7.509 2.182 -13.906 1.00 0.00 C ATOM 441 O CYS A 152 -8.395 2.992 -14.162 1.00 0.00 O ATOM 442 CB CYS A 152 -5.992 2.386 -11.873 1.00 0.00 C ATOM 443 SG CYS A 152 -5.432 0.688 -11.636 1.00 0.00 S ATOM 0 H CYS A 152 -5.769 4.601 -12.762 1.00 0.00 H new ATOM 0 HA CYS A 152 -5.403 2.062 -13.905 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -5.274 3.084 -11.443 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -6.940 2.546 -11.359 1.00 0.00 H new ATOM 448 N LYS A 153 -7.657 0.865 -14.076 1.00 0.00 N ATOM 449 CA LYS A 153 -8.808 0.292 -14.757 1.00 0.00 C ATOM 450 C LYS A 153 -9.570 -0.705 -13.897 1.00 0.00 C ATOM 451 O LYS A 153 -10.485 -1.379 -14.374 1.00 0.00 O ATOM 452 CB LYS A 153 -8.382 -0.323 -16.092 1.00 0.00 C ATOM 453 CG LYS A 153 -7.060 -1.092 -16.032 1.00 0.00 C ATOM 454 CD LYS A 153 -7.128 -2.317 -15.124 1.00 0.00 C ATOM 455 CE LYS A 153 -8.161 -3.319 -15.636 1.00 0.00 C ATOM 456 NZ LYS A 153 -7.749 -3.918 -16.916 1.00 0.00 N ATOM 0 H LYS A 153 -6.983 0.174 -13.745 1.00 0.00 H new ATOM 0 HA LYS A 153 -9.506 1.106 -14.955 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -9.167 -0.997 -16.436 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -8.295 0.471 -16.834 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -6.782 -1.406 -17.038 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -6.273 -0.426 -15.677 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -6.148 -2.792 -15.074 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -7.385 -2.009 -14.110 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -8.304 -4.106 -14.895 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -9.122 -2.820 -15.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -8.361 -4.731 -17.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -7.833 -3.210 -17.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -6.761 -4.237 -16.848 1.00 0.00 H new ATOM 470 N LEU A 154 -9.186 -0.792 -12.627 1.00 0.00 N ATOM 471 CA LEU A 154 -9.841 -1.627 -11.632 1.00 0.00 C ATOM 472 C LEU A 154 -10.365 -0.715 -10.518 1.00 0.00 C ATOM 473 O LEU A 154 -9.999 0.459 -10.474 1.00 0.00 O ATOM 474 CB LEU A 154 -8.879 -2.725 -11.156 1.00 0.00 C ATOM 475 CG LEU A 154 -7.433 -2.282 -10.995 1.00 0.00 C ATOM 476 CD1 LEU A 154 -7.336 -1.379 -9.773 1.00 0.00 C ATOM 477 CD2 LEU A 154 -6.574 -3.520 -10.781 1.00 0.00 C ATOM 0 H LEU A 154 -8.392 -0.271 -12.255 1.00 0.00 H new ATOM 0 HA LEU A 154 -10.699 -2.157 -12.044 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -9.234 -3.110 -10.200 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -8.914 -3.551 -11.866 1.00 0.00 H new ATOM 0 HG LEU A 154 -7.093 -1.742 -11.879 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -6.304 -1.052 -9.643 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -7.978 -0.509 -9.912 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -7.657 -1.929 -8.888 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -5.532 -3.224 -10.663 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -6.906 -4.043 -9.884 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -6.668 -4.181 -11.642 1.00 0.00 H new ATOM 489 N PRO A 155 -11.213 -1.228 -9.619 1.00 0.00 N ATOM 490 CA PRO A 155 -11.802 -0.434 -8.558 1.00 0.00 C ATOM 491 C PRO A 155 -10.732 0.091 -7.597 1.00 0.00 C ATOM 492 O PRO A 155 -9.577 -0.341 -7.665 1.00 0.00 O ATOM 493 CB PRO A 155 -12.792 -1.367 -7.856 1.00 0.00 C ATOM 494 CG PRO A 155 -12.274 -2.763 -8.170 1.00 0.00 C ATOM 495 CD PRO A 155 -11.683 -2.598 -9.564 1.00 0.00 C ATOM 0 HA PRO A 155 -12.302 0.454 -8.945 1.00 0.00 H new ATOM 0 HB2 PRO A 155 -12.819 -1.184 -6.782 1.00 0.00 H new ATOM 0 HB3 PRO A 155 -13.806 -1.225 -8.229 1.00 0.00 H new ATOM 0 HG2 PRO A 155 -11.524 -3.088 -7.449 1.00 0.00 H new ATOM 0 HG3 PRO A 155 -13.073 -3.504 -8.155 1.00 0.00 H new ATOM 0 HD2 PRO A 155 -10.867 -3.301 -9.731 1.00 0.00 H new ATOM 0 HD3 PRO A 155 -12.431 -2.789 -10.334 1.00 0.00 H new ATOM 503 N PRO A 156 -11.097 1.018 -6.708 1.00 0.00 N ATOM 504 CA PRO A 156 -10.170 1.608 -5.764 1.00 0.00 C ATOM 505 C PRO A 156 -9.710 0.548 -4.774 1.00 0.00 C ATOM 506 O PRO A 156 -10.442 0.168 -3.867 1.00 0.00 O ATOM 507 CB PRO A 156 -10.935 2.745 -5.088 1.00 0.00 C ATOM 508 CG PRO A 156 -12.399 2.328 -5.223 1.00 0.00 C ATOM 509 CD PRO A 156 -12.432 1.558 -6.543 1.00 0.00 C ATOM 0 HA PRO A 156 -9.268 1.995 -6.239 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -10.645 2.857 -4.043 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -10.744 3.701 -5.576 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -12.717 1.705 -4.387 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -13.062 3.193 -5.246 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -13.177 0.763 -6.515 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -12.696 2.213 -7.373 1.00 0.00 H new ATOM 517 N GLN A 157 -8.484 0.077 -4.970 1.00 0.00 N ATOM 518 CA GLN A 157 -7.871 -0.909 -4.107 1.00 0.00 C ATOM 519 C GLN A 157 -7.365 -0.235 -2.833 1.00 0.00 C ATOM 520 O GLN A 157 -7.240 0.986 -2.786 1.00 0.00 O ATOM 521 CB GLN A 157 -6.643 -1.475 -4.813 1.00 0.00 C ATOM 522 CG GLN A 157 -6.962 -2.056 -6.184 1.00 0.00 C ATOM 523 CD GLN A 157 -7.949 -3.212 -6.102 1.00 0.00 C ATOM 524 OE1 GLN A 157 -7.845 -4.079 -5.234 1.00 0.00 O ATOM 525 NE2 GLN A 157 -8.921 -3.225 -7.001 1.00 0.00 N ATOM 0 H GLN A 157 -7.887 0.376 -5.741 1.00 0.00 H new ATOM 0 HA GLN A 157 -8.604 -1.682 -3.875 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -5.898 -0.687 -4.922 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -6.197 -2.251 -4.190 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -7.373 -1.274 -6.822 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -6.041 -2.399 -6.655 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -8.974 -2.489 -7.705 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -9.616 -3.971 -6.989 1.00 0.00 H new ATOM 534 N PRO A 158 -7.073 -1.026 -1.799 1.00 0.00 N ATOM 535 CA PRO A 158 -6.360 -0.566 -0.635 1.00 0.00 C ATOM 536 C PRO A 158 -4.880 -0.523 -0.981 1.00 0.00 C ATOM 537 O PRO A 158 -4.345 -1.454 -1.587 1.00 0.00 O ATOM 538 CB PRO A 158 -6.638 -1.616 0.435 1.00 0.00 C ATOM 539 CG PRO A 158 -6.790 -2.904 -0.377 1.00 0.00 C ATOM 540 CD PRO A 158 -7.395 -2.434 -1.701 1.00 0.00 C ATOM 0 HA PRO A 158 -6.660 0.426 -0.297 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -5.821 -1.686 1.153 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -7.541 -1.387 1.000 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -5.829 -3.396 -0.529 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -7.439 -3.620 0.127 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -6.979 -2.990 -2.541 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -8.473 -2.591 -1.717 1.00 0.00 H new ATOM 548 N LYS A 159 -4.218 0.560 -0.591 1.00 0.00 N ATOM 549 CA LYS A 159 -2.783 0.678 -0.761 1.00 0.00 C ATOM 550 C LYS A 159 -2.117 -0.108 0.371 1.00 0.00 C ATOM 551 O LYS A 159 -2.613 -0.127 1.496 1.00 0.00 O ATOM 552 CB LYS A 159 -2.359 2.141 -0.830 1.00 0.00 C ATOM 553 CG LYS A 159 -2.763 2.931 0.406 1.00 0.00 C ATOM 554 CD LYS A 159 -2.201 4.351 0.296 1.00 0.00 C ATOM 555 CE LYS A 159 -1.543 4.706 1.619 1.00 0.00 C ATOM 556 NZ LYS A 159 -2.543 5.006 2.659 1.00 0.00 N ATOM 0 H LYS A 159 -4.658 1.370 -0.154 1.00 0.00 H new ATOM 0 HA LYS A 159 -2.459 0.251 -1.710 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -1.277 2.196 -0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -2.804 2.602 -1.712 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -3.849 2.962 0.495 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -2.383 2.444 1.304 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -1.477 4.411 -0.517 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -2.998 5.058 0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -0.914 3.879 1.947 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -0.890 5.568 1.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -2.235 4.597 3.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -2.641 6.036 2.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -3.460 4.596 2.388 1.00 0.00 H new ATOM 570 N LYS A 160 -0.997 -0.752 0.059 1.00 0.00 N ATOM 571 CA LYS A 160 -0.343 -1.682 0.970 1.00 0.00 C ATOM 572 C LYS A 160 1.043 -1.181 1.349 1.00 0.00 C ATOM 573 O LYS A 160 1.591 -0.288 0.707 1.00 0.00 O ATOM 574 CB LYS A 160 -0.189 -3.044 0.289 1.00 0.00 C ATOM 575 CG LYS A 160 -1.532 -3.648 -0.092 1.00 0.00 C ATOM 576 CD LYS A 160 -1.330 -4.731 -1.140 1.00 0.00 C ATOM 577 CE LYS A 160 -2.657 -4.898 -1.869 1.00 0.00 C ATOM 578 NZ LYS A 160 -2.529 -5.866 -2.972 1.00 0.00 N ATOM 0 H LYS A 160 -0.517 -0.643 -0.834 1.00 0.00 H new ATOM 0 HA LYS A 160 -0.957 -1.767 1.867 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.425 -2.935 -0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.338 -3.725 0.957 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -2.016 -4.068 0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.193 -2.873 -0.479 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -0.540 -4.451 -1.837 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -1.026 -5.668 -0.673 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -3.422 -5.236 -1.169 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -2.986 -3.935 -2.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -3.445 -5.965 -3.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -1.815 -5.529 -3.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -2.237 -6.789 -2.592 1.00 0.00 H new ATOM 592 N CYS A 161 1.591 -1.776 2.407 1.00 0.00 N ATOM 593 CA CYS A 161 2.951 -1.524 2.843 1.00 0.00 C ATOM 594 C CYS A 161 3.921 -1.750 1.680 1.00 0.00 C ATOM 595 O CYS A 161 3.919 -2.815 1.067 1.00 0.00 O ATOM 596 CB CYS A 161 3.215 -2.474 4.010 1.00 0.00 C ATOM 597 SG CYS A 161 4.911 -2.326 4.605 1.00 0.00 S ATOM 0 H CYS A 161 1.094 -2.452 2.987 1.00 0.00 H new ATOM 0 HA CYS A 161 3.095 -0.493 3.167 1.00 0.00 H new ATOM 0 HB2 CYS A 161 2.522 -2.256 4.823 1.00 0.00 H new ATOM 0 HB3 CYS A 161 3.026 -3.501 3.696 1.00 0.00 H new ATOM 602 N HIS A 162 4.752 -0.748 1.377 1.00 0.00 N ATOM 603 CA HIS A 162 5.770 -0.846 0.338 1.00 0.00 C ATOM 604 C HIS A 162 6.868 -1.837 0.725 1.00 0.00 C ATOM 605 O HIS A 162 7.892 -1.915 0.049 1.00 0.00 O ATOM 606 CB HIS A 162 6.415 0.524 0.117 1.00 0.00 C ATOM 607 CG HIS A 162 5.499 1.538 -0.514 1.00 0.00 C ATOM 608 ND1 HIS A 162 4.526 1.254 -1.470 1.00 0.00 N ATOM 609 CD2 HIS A 162 5.506 2.876 -0.254 1.00 0.00 C ATOM 610 CE1 HIS A 162 3.975 2.438 -1.779 1.00 0.00 C ATOM 611 NE2 HIS A 162 4.542 3.430 -1.066 1.00 0.00 N ATOM 0 H HIS A 162 4.734 0.156 1.850 1.00 0.00 H new ATOM 0 HA HIS A 162 5.281 -1.194 -0.572 1.00 0.00 H new ATOM 0 HB2 HIS A 162 6.762 0.910 1.076 1.00 0.00 H new ATOM 0 HB3 HIS A 162 7.295 0.402 -0.514 1.00 0.00 H new ATOM 0 HD2 HIS A 162 6.140 3.397 0.448 1.00 0.00 H new ATOM 0 HE1 HIS A 162 3.184 2.577 -2.501 1.00 0.00 H new ATOM 0 HE2 HIS A 162 4.299 4.419 -1.118 1.00 0.00 H new ATOM 619 N PHE A 163 6.667 -2.590 1.810 1.00 0.00 N ATOM 620 CA PHE A 163 7.727 -3.383 2.397 1.00 0.00 C ATOM 621 C PHE A 163 7.311 -4.823 2.675 1.00 0.00 C ATOM 622 O PHE A 163 8.140 -5.725 2.580 1.00 0.00 O ATOM 623 CB PHE A 163 8.076 -2.675 3.689 1.00 0.00 C ATOM 624 CG PHE A 163 9.459 -2.911 4.204 1.00 0.00 C ATOM 625 CD1 PHE A 163 9.778 -4.119 4.827 1.00 0.00 C ATOM 626 CD2 PHE A 163 10.417 -1.896 4.073 1.00 0.00 C ATOM 627 CE1 PHE A 163 11.083 -4.323 5.310 1.00 0.00 C ATOM 628 CE2 PHE A 163 11.712 -2.095 4.563 1.00 0.00 C ATOM 629 CZ PHE A 163 12.043 -3.310 5.177 1.00 0.00 C ATOM 0 H PHE A 163 5.772 -2.661 2.295 1.00 0.00 H new ATOM 0 HA PHE A 163 8.570 -3.460 1.711 1.00 0.00 H new ATOM 0 HB2 PHE A 163 7.940 -1.603 3.543 1.00 0.00 H new ATOM 0 HB3 PHE A 163 7.365 -2.985 4.455 1.00 0.00 H new ATOM 0 HD1 PHE A 163 9.030 -4.890 4.937 1.00 0.00 H new ATOM 0 HD2 PHE A 163 10.156 -0.963 3.595 1.00 0.00 H new ATOM 0 HE1 PHE A 163 11.345 -5.258 5.782 1.00 0.00 H new ATOM 0 HE2 PHE A 163 12.453 -1.315 4.468 1.00 0.00 H new ATOM 0 HZ PHE A 163 13.044 -3.467 5.550 1.00 0.00 H new ATOM 639 N CYS A 164 6.038 -5.037 3.013 1.00 0.00 N ATOM 640 CA CYS A 164 5.508 -6.378 3.224 1.00 0.00 C ATOM 641 C CYS A 164 4.140 -6.570 2.559 1.00 0.00 C ATOM 642 O CYS A 164 3.502 -7.606 2.721 1.00 0.00 O ATOM 643 CB CYS A 164 5.395 -6.585 4.723 1.00 0.00 C ATOM 644 SG CYS A 164 4.072 -5.510 5.299 1.00 0.00 S ATOM 0 H CYS A 164 5.355 -4.292 3.146 1.00 0.00 H new ATOM 0 HA CYS A 164 6.177 -7.109 2.770 1.00 0.00 H new ATOM 0 HB2 CYS A 164 5.174 -7.627 4.954 1.00 0.00 H new ATOM 0 HB3 CYS A 164 6.335 -6.341 5.219 1.00 0.00 H new ATOM 649 N GLN A 165 3.695 -5.551 1.816 1.00 0.00 N ATOM 650 CA GLN A 165 2.397 -5.503 1.146 1.00 0.00 C ATOM 651 C GLN A 165 1.227 -5.804 2.089 1.00 0.00 C ATOM 652 O GLN A 165 0.215 -6.363 1.675 1.00 0.00 O ATOM 653 CB GLN A 165 2.378 -6.381 -0.113 1.00 0.00 C ATOM 654 CG GLN A 165 3.237 -5.798 -1.239 1.00 0.00 C ATOM 655 CD GLN A 165 4.727 -5.846 -0.932 1.00 0.00 C ATOM 656 OE1 GLN A 165 5.374 -6.876 -1.115 1.00 0.00 O ATOM 657 NE2 GLN A 165 5.290 -4.736 -0.463 1.00 0.00 N ATOM 0 H GLN A 165 4.250 -4.709 1.661 1.00 0.00 H new ATOM 0 HA GLN A 165 2.253 -4.473 0.820 1.00 0.00 H new ATOM 0 HB2 GLN A 165 2.738 -7.379 0.137 1.00 0.00 H new ATOM 0 HB3 GLN A 165 1.351 -6.491 -0.462 1.00 0.00 H new ATOM 0 HG2 GLN A 165 3.043 -6.348 -2.160 1.00 0.00 H new ATOM 0 HG3 GLN A 165 2.941 -4.764 -1.417 1.00 0.00 H new ATOM 0 HE21 GLN A 165 4.726 -3.898 -0.322 1.00 0.00 H new ATOM 0 HE22 GLN A 165 6.286 -4.723 -0.244 1.00 0.00 H new ATOM 666 N SER A 166 1.355 -5.434 3.366 1.00 0.00 N ATOM 667 CA SER A 166 0.281 -5.562 4.331 1.00 0.00 C ATOM 668 C SER A 166 -0.496 -4.250 4.448 1.00 0.00 C ATOM 669 O SER A 166 0.082 -3.224 4.798 1.00 0.00 O ATOM 670 CB SER A 166 0.888 -5.923 5.679 1.00 0.00 C ATOM 671 OG SER A 166 1.595 -7.145 5.573 1.00 0.00 O ATOM 0 H SER A 166 2.212 -5.037 3.752 1.00 0.00 H new ATOM 0 HA SER A 166 -0.411 -6.339 4.006 1.00 0.00 H new ATOM 0 HB2 SER A 166 1.560 -5.131 6.010 1.00 0.00 H new ATOM 0 HB3 SER A 166 0.103 -6.010 6.430 1.00 0.00 H new ATOM 0 HG SER A 166 2.495 -6.973 5.224 1.00 0.00 H new ATOM 677 N ILE A 167 -1.799 -4.278 4.156 1.00 0.00 N ATOM 678 CA ILE A 167 -2.698 -3.135 4.345 1.00 0.00 C ATOM 679 C ILE A 167 -2.953 -2.852 5.820 1.00 0.00 C ATOM 680 O ILE A 167 -3.398 -1.762 6.170 1.00 0.00 O ATOM 681 CB ILE A 167 -4.056 -3.416 3.695 1.00 0.00 C ATOM 682 CG1 ILE A 167 -4.684 -4.674 4.314 1.00 0.00 C ATOM 683 CG2 ILE A 167 -3.873 -3.576 2.196 1.00 0.00 C ATOM 684 CD1 ILE A 167 -5.726 -5.301 3.398 1.00 0.00 C ATOM 0 H ILE A 167 -2.265 -5.103 3.778 1.00 0.00 H new ATOM 0 HA ILE A 167 -2.210 -2.275 3.886 1.00 0.00 H new ATOM 0 HB ILE A 167 -4.732 -2.580 3.875 1.00 0.00 H new ATOM 0 HG12 ILE A 167 -3.902 -5.403 4.526 1.00 0.00 H new ATOM 0 HG13 ILE A 167 -5.147 -4.417 5.267 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -4.838 -3.776 1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -3.453 -2.660 1.781 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -3.196 -4.407 1.999 1.00 0.00 H new ATOM 0 HD11 ILE A 167 -6.144 -6.187 3.875 1.00 0.00 H new ATOM 0 HD12 ILE A 167 -6.523 -4.582 3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -5.259 -5.583 2.455 1.00 0.00 H new ATOM 696 N SER A 168 -2.674 -3.827 6.677 1.00 0.00 N ATOM 697 CA SER A 168 -2.782 -3.695 8.120 1.00 0.00 C ATOM 698 C SER A 168 -2.118 -2.399 8.578 1.00 0.00 C ATOM 699 O SER A 168 -2.703 -1.621 9.332 1.00 0.00 O ATOM 700 CB SER A 168 -2.209 -4.942 8.786 1.00 0.00 C ATOM 701 OG SER A 168 -0.843 -5.096 8.462 1.00 0.00 O ATOM 0 H SER A 168 -2.360 -4.750 6.379 1.00 0.00 H new ATOM 0 HA SER A 168 -3.827 -3.625 8.423 1.00 0.00 H new ATOM 0 HB2 SER A 168 -2.326 -4.869 9.867 1.00 0.00 H new ATOM 0 HB3 SER A 168 -2.766 -5.822 8.463 1.00 0.00 H new ATOM 0 HG SER A 168 -0.492 -5.900 8.899 1.00 0.00 H new ATOM 707 N HIS A 169 -0.888 -2.183 8.106 1.00 0.00 N ATOM 708 CA HIS A 169 -0.081 -1.019 8.417 1.00 0.00 C ATOM 709 C HIS A 169 0.431 -0.387 7.123 1.00 0.00 C ATOM 710 O HIS A 169 -0.127 -0.613 6.047 1.00 0.00 O ATOM 711 CB HIS A 169 1.073 -1.434 9.331 1.00 0.00 C ATOM 712 CG HIS A 169 1.904 -2.558 8.763 1.00 0.00 C ATOM 713 ND1 HIS A 169 1.815 -3.888 9.103 1.00 0.00 N ATOM 714 CD2 HIS A 169 2.894 -2.454 7.820 1.00 0.00 C ATOM 715 CE1 HIS A 169 2.720 -4.562 8.378 1.00 0.00 C ATOM 716 NE2 HIS A 169 3.423 -3.728 7.590 1.00 0.00 N ATOM 0 H HIS A 169 -0.420 -2.837 7.479 1.00 0.00 H new ATOM 0 HA HIS A 169 -0.682 -0.275 8.939 1.00 0.00 H new ATOM 0 HB2 HIS A 169 1.714 -0.571 9.511 1.00 0.00 H new ATOM 0 HB3 HIS A 169 0.671 -1.740 10.297 1.00 0.00 H new ATOM 0 HD1 HIS A 169 1.174 -4.291 9.786 1.00 0.00 H new ATOM 0 HD2 HIS A 169 3.212 -1.542 7.336 1.00 0.00 H new ATOM 0 HE1 HIS A 169 2.865 -5.631 8.421 1.00 0.00 H new ATOM 724 N MET A 170 1.495 0.406 7.220 1.00 0.00 N ATOM 725 CA MET A 170 2.165 1.018 6.089 1.00 0.00 C ATOM 726 C MET A 170 3.660 0.799 6.263 1.00 0.00 C ATOM 727 O MET A 170 4.104 0.501 7.373 1.00 0.00 O ATOM 728 CB MET A 170 1.876 2.523 6.089 1.00 0.00 C ATOM 729 CG MET A 170 0.407 2.870 5.869 1.00 0.00 C ATOM 730 SD MET A 170 -0.062 3.228 4.158 1.00 0.00 S ATOM 731 CE MET A 170 0.287 1.639 3.379 1.00 0.00 C ATOM 0 H MET A 170 1.922 0.644 8.115 1.00 0.00 H new ATOM 0 HA MET A 170 1.817 0.582 5.152 1.00 0.00 H new ATOM 0 HB2 MET A 170 2.201 2.945 7.040 1.00 0.00 H new ATOM 0 HB3 MET A 170 2.472 2.998 5.309 1.00 0.00 H new ATOM 0 HG2 MET A 170 -0.202 2.040 6.228 1.00 0.00 H new ATOM 0 HG3 MET A 170 0.160 3.736 6.484 1.00 0.00 H new ATOM 0 HE1 MET A 170 0.049 1.695 2.317 1.00 0.00 H new ATOM 0 HE2 MET A 170 1.343 1.397 3.503 1.00 0.00 H new ATOM 0 HE3 MET A 170 -0.320 0.864 3.846 1.00 0.00 H new ATOM 741 N VAL A 171 4.455 0.949 5.205 1.00 0.00 N ATOM 742 CA VAL A 171 5.904 0.859 5.333 1.00 0.00 C ATOM 743 C VAL A 171 6.378 1.860 6.367 1.00 0.00 C ATOM 744 O VAL A 171 7.443 1.695 6.950 1.00 0.00 O ATOM 745 CB VAL A 171 6.583 1.133 4.001 1.00 0.00 C ATOM 746 CG1 VAL A 171 6.466 2.615 3.656 1.00 0.00 C ATOM 747 CG2 VAL A 171 8.063 0.809 4.074 1.00 0.00 C ATOM 0 H VAL A 171 4.122 1.132 4.258 1.00 0.00 H new ATOM 0 HA VAL A 171 6.167 -0.151 5.648 1.00 0.00 H new ATOM 0 HB VAL A 171 6.096 0.512 3.249 1.00 0.00 H new ATOM 0 HG11 VAL A 171 6.954 2.806 2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 171 5.414 2.891 3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 171 6.946 3.209 4.434 1.00 0.00 H new ATOM 0 HG21 VAL A 171 8.528 1.013 3.109 1.00 0.00 H new ATOM 0 HG22 VAL A 171 8.533 1.425 4.841 1.00 0.00 H new ATOM 0 HG23 VAL A 171 8.193 -0.244 4.324 1.00 0.00 H new ATOM 757 N ALA A 172 5.567 2.894 6.582 1.00 0.00 N ATOM 758 CA ALA A 172 5.865 3.924 7.542 1.00 0.00 C ATOM 759 C ALA A 172 5.877 3.366 8.964 1.00 0.00 C ATOM 760 O ALA A 172 6.286 4.048 9.903 1.00 0.00 O ATOM 761 CB ALA A 172 4.817 5.015 7.406 1.00 0.00 C ATOM 0 H ALA A 172 4.685 3.030 6.088 1.00 0.00 H new ATOM 0 HA ALA A 172 6.858 4.329 7.347 1.00 0.00 H new ATOM 0 HB1 ALA A 172 5.022 5.808 8.125 1.00 0.00 H new ATOM 0 HB2 ALA A 172 4.846 5.424 6.396 1.00 0.00 H new ATOM 0 HB3 ALA A 172 3.829 4.597 7.599 1.00 0.00 H new ATOM 767 N SER A 173 5.430 2.119 9.105 1.00 0.00 N ATOM 768 CA SER A 173 5.298 1.435 10.378 1.00 0.00 C ATOM 769 C SER A 173 5.596 -0.053 10.238 1.00 0.00 C ATOM 770 O SER A 173 5.301 -0.824 11.152 1.00 0.00 O ATOM 771 CB SER A 173 3.867 1.613 10.868 1.00 0.00 C ATOM 772 OG SER A 173 3.813 1.500 12.273 1.00 0.00 O ATOM 0 H SER A 173 5.143 1.546 8.311 1.00 0.00 H new ATOM 0 HA SER A 173 6.011 1.859 11.085 1.00 0.00 H new ATOM 0 HB2 SER A 173 3.489 2.588 10.560 1.00 0.00 H new ATOM 0 HB3 SER A 173 3.223 0.862 10.411 1.00 0.00 H new ATOM 0 HG SER A 173 4.248 0.667 12.551 1.00 0.00 H new ATOM 778 N CYS A 174 6.171 -0.470 9.097 1.00 0.00 N ATOM 779 CA CYS A 174 6.367 -1.895 8.847 1.00 0.00 C ATOM 780 C CYS A 174 7.065 -2.560 10.038 1.00 0.00 C ATOM 781 O CYS A 174 8.072 -2.049 10.529 1.00 0.00 O ATOM 782 CB CYS A 174 7.138 -2.138 7.549 1.00 0.00 C ATOM 783 SG CYS A 174 6.924 -3.863 7.032 1.00 0.00 S ATOM 0 H CYS A 174 6.499 0.147 8.354 1.00 0.00 H new ATOM 0 HA CYS A 174 5.384 -2.351 8.728 1.00 0.00 H new ATOM 0 HB2 CYS A 174 6.779 -1.466 6.769 1.00 0.00 H new ATOM 0 HB3 CYS A 174 8.196 -1.920 7.696 1.00 0.00 H new ATOM 788 N PRO A 175 6.545 -3.700 10.514 1.00 0.00 N ATOM 789 CA PRO A 175 7.134 -4.441 11.613 1.00 0.00 C ATOM 790 C PRO A 175 8.420 -5.118 11.161 1.00 0.00 C ATOM 791 O PRO A 175 9.213 -5.568 11.987 1.00 0.00 O ATOM 792 CB PRO A 175 6.080 -5.474 11.997 1.00 0.00 C ATOM 793 CG PRO A 175 5.362 -5.734 10.680 1.00 0.00 C ATOM 794 CD PRO A 175 5.355 -4.361 10.023 1.00 0.00 C ATOM 0 HA PRO A 175 7.398 -3.800 12.454 1.00 0.00 H new ATOM 0 HB2 PRO A 175 6.531 -6.382 12.397 1.00 0.00 H new ATOM 0 HB3 PRO A 175 5.400 -5.093 12.759 1.00 0.00 H new ATOM 0 HG2 PRO A 175 5.887 -6.471 10.072 1.00 0.00 H new ATOM 0 HG3 PRO A 175 4.352 -6.112 10.838 1.00 0.00 H new ATOM 0 HD2 PRO A 175 5.371 -4.444 8.936 1.00 0.00 H new ATOM 0 HD3 PRO A 175 4.457 -3.803 10.287 1.00 0.00 H new ATOM 802 N LEU A 176 8.640 -5.197 9.845 1.00 0.00 N ATOM 803 CA LEU A 176 9.841 -5.794 9.308 1.00 0.00 C ATOM 804 C LEU A 176 10.962 -4.770 9.278 1.00 0.00 C ATOM 805 O LEU A 176 12.044 -5.034 9.789 1.00 0.00 O ATOM 806 CB LEU A 176 9.571 -6.276 7.885 1.00 0.00 C ATOM 807 CG LEU A 176 8.341 -7.174 7.800 1.00 0.00 C ATOM 808 CD1 LEU A 176 8.226 -7.682 6.367 1.00 0.00 C ATOM 809 CD2 LEU A 176 8.476 -8.356 8.746 1.00 0.00 C ATOM 0 H LEU A 176 7.991 -4.850 9.139 1.00 0.00 H new ATOM 0 HA LEU A 176 10.135 -6.633 9.939 1.00 0.00 H new ATOM 0 HB2 LEU A 176 9.434 -5.414 7.232 1.00 0.00 H new ATOM 0 HB3 LEU A 176 10.441 -6.820 7.517 1.00 0.00 H new ATOM 0 HG LEU A 176 7.453 -6.609 8.083 1.00 0.00 H new ATOM 0 HD11 LEU A 176 7.352 -8.328 6.279 1.00 0.00 H new ATOM 0 HD12 LEU A 176 8.121 -6.836 5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 176 9.122 -8.246 6.108 1.00 0.00 H new ATOM 0 HD21 LEU A 176 7.589 -8.985 8.671 1.00 0.00 H new ATOM 0 HD22 LEU A 176 9.357 -8.938 8.477 1.00 0.00 H new ATOM 0 HD23 LEU A 176 8.578 -7.994 9.769 1.00 0.00 H new ATOM 821 N LYS A 177 10.736 -3.595 8.684 1.00 0.00 N ATOM 822 CA LYS A 177 11.812 -2.620 8.571 1.00 0.00 C ATOM 823 C LYS A 177 12.342 -2.237 9.947 1.00 0.00 C ATOM 824 O LYS A 177 13.472 -1.776 10.065 1.00 0.00 O ATOM 825 CB LYS A 177 11.347 -1.388 7.807 1.00 0.00 C ATOM 826 CG LYS A 177 10.471 -0.530 8.704 1.00 0.00 C ATOM 827 CD LYS A 177 10.047 0.737 7.969 1.00 0.00 C ATOM 828 CE LYS A 177 11.198 1.736 7.842 1.00 0.00 C ATOM 829 NZ LYS A 177 11.445 2.421 9.121 1.00 0.00 N ATOM 0 H LYS A 177 9.843 -3.305 8.286 1.00 0.00 H new ATOM 0 HA LYS A 177 12.627 -3.078 8.010 1.00 0.00 H new ATOM 0 HB2 LYS A 177 12.208 -0.813 7.466 1.00 0.00 H new ATOM 0 HB3 LYS A 177 10.791 -1.687 6.918 1.00 0.00 H new ATOM 0 HG2 LYS A 177 9.590 -1.093 9.011 1.00 0.00 H new ATOM 0 HG3 LYS A 177 11.014 -0.268 9.612 1.00 0.00 H new ATOM 0 HD2 LYS A 177 9.682 0.475 6.976 1.00 0.00 H new ATOM 0 HD3 LYS A 177 9.218 1.204 8.500 1.00 0.00 H new ATOM 0 HE2 LYS A 177 12.102 1.217 7.523 1.00 0.00 H new ATOM 0 HE3 LYS A 177 10.964 2.470 7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 12.147 3.175 8.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 10.557 2.835 9.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 11.805 1.737 9.817 1.00 0.00 H new ATOM 843 N ALA A 178 11.532 -2.429 10.990 1.00 0.00 N ATOM 844 CA ALA A 178 11.937 -2.138 12.349 1.00 0.00 C ATOM 845 C ALA A 178 13.094 -3.033 12.793 1.00 0.00 C ATOM 846 O ALA A 178 13.724 -2.784 13.819 1.00 0.00 O ATOM 847 CB ALA A 178 10.743 -2.379 13.262 1.00 0.00 C ATOM 0 H ALA A 178 10.582 -2.790 10.907 1.00 0.00 H new ATOM 0 HA ALA A 178 12.274 -1.103 12.402 1.00 0.00 H new ATOM 0 HB1 ALA A 178 11.025 -2.166 14.293 1.00 0.00 H new ATOM 0 HB2 ALA A 178 9.922 -1.725 12.968 1.00 0.00 H new ATOM 0 HB3 ALA A 178 10.426 -3.419 13.180 1.00 0.00 H new ATOM 853 N GLN A 179 13.357 -4.074 12.006 1.00 0.00 N ATOM 854 CA GLN A 179 14.377 -5.072 12.236 1.00 0.00 C ATOM 855 C GLN A 179 15.090 -5.412 10.921 1.00 0.00 C ATOM 856 O GLN A 179 15.767 -6.436 10.829 1.00 0.00 O ATOM 857 CB GLN A 179 13.730 -6.311 12.875 1.00 0.00 C ATOM 858 CG GLN A 179 12.572 -6.805 12.006 1.00 0.00 C ATOM 859 CD GLN A 179 11.872 -8.038 12.559 1.00 0.00 C ATOM 860 OE1 GLN A 179 12.302 -8.637 13.545 1.00 0.00 O ATOM 861 NE2 GLN A 179 10.779 -8.426 11.917 1.00 0.00 N ATOM 0 H GLN A 179 12.832 -4.245 11.148 1.00 0.00 H new ATOM 0 HA GLN A 179 15.132 -4.687 12.921 1.00 0.00 H new ATOM 0 HB2 GLN A 179 14.472 -7.101 12.989 1.00 0.00 H new ATOM 0 HB3 GLN A 179 13.368 -6.068 13.874 1.00 0.00 H new ATOM 0 HG2 GLN A 179 11.843 -6.002 11.898 1.00 0.00 H new ATOM 0 HG3 GLN A 179 12.949 -7.029 11.008 1.00 0.00 H new ATOM 0 HE21 GLN A 179 10.453 -7.904 11.103 1.00 0.00 H new ATOM 0 HE22 GLN A 179 10.264 -9.246 12.237 1.00 0.00 H new ATOM 870 N GLN A 180 14.935 -4.558 9.900 1.00 0.00 N ATOM 871 CA GLN A 180 15.605 -4.722 8.615 1.00 0.00 C ATOM 872 C GLN A 180 16.278 -3.418 8.188 1.00 0.00 C ATOM 873 O GLN A 180 17.213 -3.435 7.390 1.00 0.00 O ATOM 874 CB GLN A 180 14.602 -5.119 7.529 1.00 0.00 C ATOM 875 CG GLN A 180 13.667 -6.263 7.904 1.00 0.00 C ATOM 876 CD GLN A 180 13.913 -7.522 7.079 1.00 0.00 C ATOM 877 OE1 GLN A 180 13.917 -7.467 5.854 1.00 0.00 O ATOM 878 NE2 GLN A 180 14.115 -8.655 7.738 1.00 0.00 N ATOM 0 H GLN A 180 14.338 -3.733 9.948 1.00 0.00 H new ATOM 0 HA GLN A 180 16.353 -5.506 8.735 1.00 0.00 H new ATOM 0 HB2 GLN A 180 14.000 -4.246 7.274 1.00 0.00 H new ATOM 0 HB3 GLN A 180 15.153 -5.399 6.631 1.00 0.00 H new ATOM 0 HG2 GLN A 180 13.792 -6.497 8.961 1.00 0.00 H new ATOM 0 HG3 GLN A 180 12.634 -5.941 7.769 1.00 0.00 H new ATOM 0 HE21 GLN A 180 14.104 -8.661 8.758 1.00 0.00 H new ATOM 0 HE22 GLN A 180 14.281 -9.521 7.225 1.00 0.00 H new ATOM 887 N GLY A 181 15.803 -2.288 8.716 1.00 0.00 N ATOM 888 CA GLY A 181 16.357 -0.974 8.420 1.00 0.00 C ATOM 889 C GLY A 181 15.731 0.117 9.284 1.00 0.00 C ATOM 890 O GLY A 181 15.212 1.100 8.754 1.00 0.00 O ATOM 0 H GLY A 181 15.017 -2.264 9.366 1.00 0.00 H new ATOM 0 HA2 GLY A 181 17.435 -0.990 8.581 1.00 0.00 H new ATOM 0 HA3 GLY A 181 16.195 -0.741 7.368 1.00 0.00 H new ATOM 894 N PRO A 182 15.763 -0.031 10.616 1.00 0.00 N ATOM 895 CA PRO A 182 15.117 0.888 11.539 1.00 0.00 C ATOM 896 C PRO A 182 15.787 2.262 11.562 1.00 0.00 C ATOM 897 O PRO A 182 15.148 3.239 11.950 1.00 0.00 O ATOM 898 CB PRO A 182 15.215 0.216 12.906 1.00 0.00 C ATOM 899 CG PRO A 182 16.471 -0.646 12.784 1.00 0.00 C ATOM 900 CD PRO A 182 16.427 -1.104 11.333 1.00 0.00 C ATOM 0 HA PRO A 182 14.086 1.077 11.239 1.00 0.00 H new ATOM 0 HB2 PRO A 182 15.306 0.948 13.709 1.00 0.00 H new ATOM 0 HB3 PRO A 182 14.333 -0.387 13.122 1.00 0.00 H new ATOM 0 HG2 PRO A 182 17.375 -0.077 13.001 1.00 0.00 H new ATOM 0 HG3 PRO A 182 16.452 -1.489 13.475 1.00 0.00 H new ATOM 0 HD2 PRO A 182 17.430 -1.276 10.944 1.00 0.00 H new ATOM 0 HD3 PRO A 182 15.881 -2.042 11.232 1.00 0.00 H new ATOM 908 N SER A 183 17.060 2.339 11.150 1.00 0.00 N ATOM 909 CA SER A 183 17.870 3.550 11.152 1.00 0.00 C ATOM 910 C SER A 183 17.700 4.422 12.394 1.00 0.00 C ATOM 911 O SER A 183 17.928 5.626 12.353 1.00 0.00 O ATOM 912 CB SER A 183 17.570 4.338 9.886 1.00 0.00 C ATOM 913 OG SER A 183 17.844 3.541 8.756 1.00 0.00 O ATOM 0 H SER A 183 17.565 1.527 10.795 1.00 0.00 H new ATOM 0 HA SER A 183 18.914 3.238 11.177 1.00 0.00 H new ATOM 0 HB2 SER A 183 16.526 4.650 9.879 1.00 0.00 H new ATOM 0 HB3 SER A 183 18.174 5.245 9.859 1.00 0.00 H new ATOM 0 HG SER A 183 17.228 3.778 8.032 1.00 0.00 H new ATOM 919 N ALA A 184 17.296 3.801 13.501 1.00 0.00 N ATOM 920 CA ALA A 184 17.078 4.495 14.756 1.00 0.00 C ATOM 921 C ALA A 184 16.957 3.500 15.910 1.00 0.00 C ATOM 922 O ALA A 184 16.686 3.895 17.042 1.00 0.00 O ATOM 923 CB ALA A 184 15.798 5.319 14.635 1.00 0.00 C ATOM 0 H ALA A 184 17.112 2.799 13.546 1.00 0.00 H new ATOM 0 HA ALA A 184 17.926 5.147 14.965 1.00 0.00 H new ATOM 0 HB1 ALA A 184 15.617 5.849 15.570 1.00 0.00 H new ATOM 0 HB2 ALA A 184 15.904 6.040 13.824 1.00 0.00 H new ATOM 0 HB3 ALA A 184 14.958 4.657 14.424 1.00 0.00 H new ATOM 929 N GLN A 185 17.154 2.208 15.620 1.00 0.00 N ATOM 930 CA GLN A 185 16.975 1.112 16.562 1.00 0.00 C ATOM 931 C GLN A 185 15.610 1.152 17.264 1.00 0.00 C ATOM 932 O GLN A 185 15.401 0.470 18.269 1.00 0.00 O ATOM 933 CB GLN A 185 18.157 1.099 17.537 1.00 0.00 C ATOM 934 CG GLN A 185 18.324 -0.264 18.215 1.00 0.00 C ATOM 935 CD GLN A 185 19.535 -0.273 19.144 1.00 0.00 C ATOM 936 OE1 GLN A 185 19.834 0.727 19.794 1.00 0.00 O ATOM 937 NE2 GLN A 185 20.242 -1.395 19.211 1.00 0.00 N ATOM 0 H GLN A 185 17.451 1.894 14.696 1.00 0.00 H new ATOM 0 HA GLN A 185 16.968 0.169 16.015 1.00 0.00 H new ATOM 0 HB2 GLN A 185 19.072 1.352 17.002 1.00 0.00 H new ATOM 0 HB3 GLN A 185 18.009 1.867 18.297 1.00 0.00 H new ATOM 0 HG2 GLN A 185 17.425 -0.503 18.783 1.00 0.00 H new ATOM 0 HG3 GLN A 185 18.438 -1.039 17.457 1.00 0.00 H new ATOM 0 HE21 GLN A 185 19.965 -2.206 18.658 1.00 0.00 H new ATOM 0 HE22 GLN A 185 21.062 -1.446 19.816 1.00 0.00 H new ATOM 946 N GLY A 186 14.674 1.951 16.745 1.00 0.00 N ATOM 947 CA GLY A 186 13.349 2.109 17.326 1.00 0.00 C ATOM 948 C GLY A 186 12.609 3.259 16.658 1.00 0.00 C ATOM 949 O GLY A 186 12.703 3.360 15.417 1.00 0.00 O ATOM 950 OXT GLY A 186 11.954 4.024 17.396 1.00 0.00 O ATOM 0 H GLY A 186 14.821 2.508 15.903 1.00 0.00 H new ATOM 0 HA2 GLY A 186 12.781 1.186 17.208 1.00 0.00 H new ATOM 0 HA3 GLY A 186 13.435 2.296 18.396 1.00 0.00 H new TER 954 GLY A 186 ATOM 955 O5' A B 1 10.289 7.370 7.616 1.00 0.00 O ATOM 956 C5' A B 1 9.070 6.813 7.183 1.00 0.00 C ATOM 957 C4' A B 1 8.569 7.552 5.939 1.00 0.00 C ATOM 958 O4' A B 1 9.316 7.149 4.787 1.00 0.00 O ATOM 959 C3' A B 1 7.105 7.172 5.680 1.00 0.00 C ATOM 960 O3' A B 1 6.480 8.211 4.945 1.00 0.00 O ATOM 961 C2' A B 1 7.298 5.967 4.782 1.00 0.00 C ATOM 962 O2' A B 1 6.163 5.657 4.012 1.00 0.00 O ATOM 963 C1' A B 1 8.368 6.574 3.911 1.00 0.00 C ATOM 964 N9 A B 1 8.809 5.669 2.837 1.00 0.00 N ATOM 965 C8 A B 1 8.439 5.782 1.528 1.00 0.00 C ATOM 966 N7 A B 1 8.853 4.814 0.762 1.00 0.00 N ATOM 967 C5 A B 1 9.524 3.969 1.650 1.00 0.00 C ATOM 968 C6 A B 1 10.190 2.740 1.484 1.00 0.00 C ATOM 969 N6 A B 1 10.291 2.100 0.316 1.00 0.00 N ATOM 970 N1 A B 1 10.764 2.174 2.553 1.00 0.00 N ATOM 971 C2 A B 1 10.666 2.782 3.729 1.00 0.00 C ATOM 972 N3 A B 1 10.062 3.927 4.027 1.00 0.00 N ATOM 973 C4 A B 1 9.498 4.480 2.923 1.00 0.00 C ATOM 0 H5' A B 1 8.328 6.879 7.979 1.00 0.00 H new ATOM 0 H5'' A B 1 9.204 5.755 6.958 1.00 0.00 H new ATOM 0 H4' A B 1 8.680 8.623 6.110 1.00 0.00 H new ATOM 0 H3' A B 1 6.500 6.997 6.570 1.00 0.00 H new ATOM 0 H2' A B 1 7.514 5.029 5.293 1.00 0.00 H new ATOM 0 HO2' A B 1 5.368 6.053 4.427 1.00 0.00 H new ATOM 0 HO5' A B 1 11.030 6.958 7.124 1.00 0.00 H new ATOM 0 H1' A B 1 8.018 7.393 3.283 1.00 0.00 H new ATOM 0 H8 A B 1 7.850 6.608 1.157 1.00 0.00 H new ATOM 0 H61 A B 1 10.788 1.211 0.263 1.00 0.00 H new ATOM 0 H62 A B 1 9.871 2.500 -0.523 1.00 0.00 H new ATOM 0 H2 A B 1 11.142 2.277 4.556 1.00 0.00 H new ATOM 986 P G B 2 5.620 9.361 5.649 1.00 0.00 P ATOM 987 OP1 G B 2 6.143 10.674 5.223 1.00 0.00 O ATOM 988 OP2 G B 2 5.514 9.047 7.090 1.00 0.00 O ATOM 989 O5' G B 2 4.178 9.132 4.982 1.00 0.00 O ATOM 990 C5' G B 2 3.785 9.858 3.833 1.00 0.00 C ATOM 991 C4' G B 2 2.528 9.265 3.195 1.00 0.00 C ATOM 992 O4' G B 2 2.858 8.183 2.351 1.00 0.00 O ATOM 993 C3' G B 2 1.500 8.772 4.224 1.00 0.00 C ATOM 994 O3' G B 2 0.485 9.706 4.581 1.00 0.00 O ATOM 995 C2' G B 2 0.903 7.527 3.565 1.00 0.00 C ATOM 996 O2' G B 2 -0.386 7.744 3.040 1.00 0.00 O ATOM 997 C1' G B 2 1.863 7.174 2.439 1.00 0.00 C ATOM 998 N9 G B 2 2.540 5.907 2.749 1.00 0.00 N ATOM 999 C8 G B 2 3.404 5.623 3.771 1.00 0.00 C ATOM 1000 N7 G B 2 3.757 4.380 3.822 1.00 0.00 N ATOM 1001 C5 G B 2 3.149 3.809 2.709 1.00 0.00 C ATOM 1002 C6 G B 2 3.243 2.488 2.190 1.00 0.00 C ATOM 1003 O6 G B 2 3.865 1.535 2.640 1.00 0.00 O ATOM 1004 N1 G B 2 2.525 2.325 1.028 1.00 0.00 N ATOM 1005 C2 G B 2 1.782 3.319 0.421 1.00 0.00 C ATOM 1006 N2 G B 2 1.150 3.004 -0.705 1.00 0.00 N ATOM 1007 N3 G B 2 1.686 4.566 0.900 1.00 0.00 N ATOM 1008 C4 G B 2 2.401 4.741 2.041 1.00 0.00 C ATOM 0 H5' G B 2 4.597 9.858 3.106 1.00 0.00 H new ATOM 0 H5'' G B 2 3.600 10.897 4.104 1.00 0.00 H new ATOM 0 H4' G B 2 2.079 10.079 2.626 1.00 0.00 H new ATOM 0 H3' G B 2 1.988 8.589 5.181 1.00 0.00 H new ATOM 0 H2' G B 2 0.788 6.732 4.302 1.00 0.00 H new ATOM 0 HO2' G B 2 -0.359 8.488 2.403 1.00 0.00 H new ATOM 0 H1' G B 2 1.306 7.089 1.506 1.00 0.00 H new ATOM 0 H8 G B 2 3.758 6.367 4.469 1.00 0.00 H new ATOM 0 H1 G B 2 2.542 1.407 0.584 1.00 0.00 H new ATOM 0 H21 G B 2 0.589 3.706 -1.189 1.00 0.00 H new ATOM 0 H22 G B 2 1.226 2.061 -1.086 1.00 0.00 H new ATOM 1020 P G B 3 -0.015 10.880 3.592 1.00 0.00 P ATOM 1021 OP1 G B 3 1.074 11.878 3.477 1.00 0.00 O ATOM 1022 OP2 G B 3 -1.355 11.313 4.038 1.00 0.00 O ATOM 1023 O5' G B 3 -0.165 10.127 2.180 1.00 0.00 O ATOM 1024 C5' G B 3 -0.512 10.816 0.997 1.00 0.00 C ATOM 1025 C4' G B 3 -0.060 9.955 -0.181 1.00 0.00 C ATOM 1026 O4' G B 3 -0.816 8.754 -0.234 1.00 0.00 O ATOM 1027 C3' G B 3 -0.219 10.679 -1.523 1.00 0.00 C ATOM 1028 O3' G B 3 1.008 10.557 -2.222 1.00 0.00 O ATOM 1029 C2' G B 3 -1.317 9.880 -2.205 1.00 0.00 C ATOM 1030 O2' G B 3 -1.182 9.844 -3.612 1.00 0.00 O ATOM 1031 C1' G B 3 -1.112 8.507 -1.592 1.00 0.00 C ATOM 1032 N9 G B 3 -2.293 7.635 -1.754 1.00 0.00 N ATOM 1033 C8 G B 3 -2.361 6.439 -2.417 1.00 0.00 C ATOM 1034 N7 G B 3 -3.547 5.899 -2.433 1.00 0.00 N ATOM 1035 C5 G B 3 -4.333 6.814 -1.731 1.00 0.00 C ATOM 1036 C6 G B 3 -5.719 6.769 -1.408 1.00 0.00 C ATOM 1037 O6 G B 3 -6.543 5.894 -1.674 1.00 0.00 O ATOM 1038 N1 G B 3 -6.124 7.894 -0.709 1.00 0.00 N ATOM 1039 C2 G B 3 -5.299 8.927 -0.336 1.00 0.00 C ATOM 1040 N2 G B 3 -5.859 9.924 0.340 1.00 0.00 N ATOM 1041 N3 G B 3 -3.988 8.963 -0.611 1.00 0.00 N ATOM 1042 C4 G B 3 -3.572 7.881 -1.316 1.00 0.00 C ATOM 0 H5' G B 3 -0.030 11.793 0.966 1.00 0.00 H new ATOM 0 H5'' G B 3 -1.587 10.990 0.955 1.00 0.00 H new ATOM 0 H4' G B 3 0.996 9.739 -0.021 1.00 0.00 H new ATOM 0 H3' G B 3 -0.461 11.740 -1.458 1.00 0.00 H new ATOM 0 H2' G B 3 -2.311 10.302 -2.057 1.00 0.00 H new ATOM 0 HO2' G B 3 -2.068 9.766 -4.024 1.00 0.00 H new ATOM 0 H1' G B 3 -0.308 7.964 -2.089 1.00 0.00 H new ATOM 0 H8 G B 3 -1.503 5.981 -2.887 1.00 0.00 H new ATOM 0 H1 G B 3 -7.109 7.960 -0.452 1.00 0.00 H new ATOM 0 H21 G B 3 -5.293 10.717 0.642 1.00 0.00 H new ATOM 0 H22 G B 3 -6.855 9.897 0.557 1.00 0.00 H new ATOM 1054 P A B 4 1.585 11.763 -3.120 1.00 0.00 P ATOM 1055 OP1 A B 4 3.025 11.500 -3.330 1.00 0.00 O ATOM 1056 OP2 A B 4 1.174 13.044 -2.504 1.00 0.00 O ATOM 1057 O5' A B 4 0.850 11.622 -4.543 1.00 0.00 O ATOM 1058 C5' A B 4 -0.252 12.435 -4.882 1.00 0.00 C ATOM 1059 C4' A B 4 -0.635 12.182 -6.340 1.00 0.00 C ATOM 1060 O4' A B 4 -1.364 10.972 -6.439 1.00 0.00 O ATOM 1061 C3' A B 4 -1.546 13.302 -6.837 1.00 0.00 C ATOM 1062 O3' A B 4 -1.456 13.452 -8.238 1.00 0.00 O ATOM 1063 C2' A B 4 -2.921 12.757 -6.505 1.00 0.00 C ATOM 1064 O2' A B 4 -3.919 13.236 -7.381 1.00 0.00 O ATOM 1065 C1' A B 4 -2.734 11.260 -6.672 1.00 0.00 C ATOM 1066 N9 A B 4 -3.645 10.568 -5.743 1.00 0.00 N ATOM 1067 C8 A B 4 -3.855 10.812 -4.410 1.00 0.00 C ATOM 1068 N7 A B 4 -4.784 10.061 -3.876 1.00 0.00 N ATOM 1069 C5 A B 4 -5.213 9.264 -4.936 1.00 0.00 C ATOM 1070 C6 A B 4 -6.203 8.271 -5.065 1.00 0.00 C ATOM 1071 N6 A B 4 -6.986 7.875 -4.060 1.00 0.00 N ATOM 1072 N1 A B 4 -6.380 7.690 -6.255 1.00 0.00 N ATOM 1073 C2 A B 4 -5.628 8.082 -7.271 1.00 0.00 C ATOM 1074 N3 A B 4 -4.675 9.001 -7.300 1.00 0.00 N ATOM 1075 C4 A B 4 -4.510 9.555 -6.073 1.00 0.00 C ATOM 0 H5' A B 4 -0.002 13.486 -4.737 1.00 0.00 H new ATOM 0 H5'' A B 4 -1.096 12.215 -4.228 1.00 0.00 H new ATOM 0 H4' A B 4 0.279 12.135 -6.933 1.00 0.00 H new ATOM 0 H3' A B 4 -1.304 14.270 -6.398 1.00 0.00 H new ATOM 0 H2' A B 4 -3.259 13.057 -5.513 1.00 0.00 H new ATOM 0 HO2' A B 4 -3.510 13.496 -8.233 1.00 0.00 H new ATOM 0 H1' A B 4 -2.982 10.912 -7.675 1.00 0.00 H new ATOM 0 H8 A B 4 -3.305 11.555 -3.852 1.00 0.00 H new ATOM 0 H61 A B 4 -7.687 7.150 -4.215 1.00 0.00 H new ATOM 0 H62 A B 4 -6.884 8.297 -3.137 1.00 0.00 H new ATOM 0 H2 A B 4 -5.818 7.582 -8.209 1.00 0.00 H new ATOM 1087 P G B 5 -0.699 14.687 -8.931 1.00 0.00 P ATOM 1088 OP1 G B 5 -0.648 15.820 -7.980 1.00 0.00 O ATOM 1089 OP2 G B 5 -1.306 14.886 -10.266 1.00 0.00 O ATOM 1090 O5' G B 5 0.786 14.134 -9.153 1.00 0.00 O ATOM 1091 C5' G B 5 1.823 14.409 -8.234 1.00 0.00 C ATOM 1092 C4' G B 5 3.084 13.645 -8.667 1.00 0.00 C ATOM 1093 O4' G B 5 2.896 12.271 -8.378 1.00 0.00 O ATOM 1094 C3' G B 5 3.349 13.792 -10.164 1.00 0.00 C ATOM 1095 O3' G B 5 4.740 13.805 -10.413 1.00 0.00 O ATOM 1096 C2' G B 5 2.713 12.531 -10.729 1.00 0.00 C ATOM 1097 O2' G B 5 3.374 12.094 -11.896 1.00 0.00 O ATOM 1098 C1' G B 5 2.878 11.539 -9.587 1.00 0.00 C ATOM 1099 N9 G B 5 1.780 10.546 -9.539 1.00 0.00 N ATOM 1100 C8 G B 5 0.429 10.760 -9.578 1.00 0.00 C ATOM 1101 N7 G B 5 -0.287 9.676 -9.458 1.00 0.00 N ATOM 1102 C5 G B 5 0.664 8.666 -9.346 1.00 0.00 C ATOM 1103 C6 G B 5 0.496 7.263 -9.167 1.00 0.00 C ATOM 1104 O6 G B 5 -0.547 6.620 -9.058 1.00 0.00 O ATOM 1105 N1 G B 5 1.712 6.601 -9.117 1.00 0.00 N ATOM 1106 C2 G B 5 2.929 7.194 -9.308 1.00 0.00 C ATOM 1107 N2 G B 5 3.967 6.366 -9.356 1.00 0.00 N ATOM 1108 N3 G B 5 3.108 8.508 -9.451 1.00 0.00 N ATOM 1109 C4 G B 5 1.932 9.183 -9.448 1.00 0.00 C ATOM 0 H5' G B 5 1.526 14.109 -7.229 1.00 0.00 H new ATOM 0 H5'' G B 5 2.023 15.480 -8.200 1.00 0.00 H new ATOM 0 H4' G B 5 3.936 14.057 -8.127 1.00 0.00 H new ATOM 0 H3' G B 5 2.955 14.711 -10.598 1.00 0.00 H new ATOM 0 H2' G B 5 1.676 12.669 -11.036 1.00 0.00 H new ATOM 0 HO2' G B 5 4.261 12.508 -11.944 1.00 0.00 H new ATOM 0 H1' G B 5 3.805 10.986 -9.739 1.00 0.00 H new ATOM 0 H8 G B 5 -0.007 11.741 -9.698 1.00 0.00 H new ATOM 0 H1 G B 5 1.698 5.600 -8.924 1.00 0.00 H new ATOM 0 H21 G B 5 4.908 6.735 -9.496 1.00 0.00 H new ATOM 0 H22 G B 5 3.823 5.361 -9.253 1.00 0.00 H new ATOM 1121 P A B 6 5.578 15.164 -10.254 1.00 0.00 P ATOM 1122 OP1 A B 6 4.828 16.071 -9.364 1.00 0.00 O ATOM 1123 OP2 A B 6 5.961 15.618 -11.606 1.00 0.00 O ATOM 1124 O5' A B 6 6.920 14.716 -9.492 1.00 0.00 O ATOM 1125 C5' A B 6 6.929 14.496 -8.099 1.00 0.00 C ATOM 1126 C4' A B 6 8.374 14.294 -7.642 1.00 0.00 C ATOM 1127 O4' A B 6 8.472 14.523 -6.246 1.00 0.00 O ATOM 1128 C3' A B 6 8.871 12.879 -7.937 1.00 0.00 C ATOM 1129 O3' A B 6 10.214 12.986 -8.368 1.00 0.00 O ATOM 1130 C2' A B 6 8.721 12.221 -6.564 1.00 0.00 C ATOM 1131 O2' A B 6 9.566 11.110 -6.350 1.00 0.00 O ATOM 1132 C1' A B 6 9.076 13.387 -5.657 1.00 0.00 C ATOM 1133 N9 A B 6 8.626 13.184 -4.270 1.00 0.00 N ATOM 1134 C8 A B 6 7.554 12.467 -3.804 1.00 0.00 C ATOM 1135 N7 A B 6 7.444 12.459 -2.506 1.00 0.00 N ATOM 1136 C5 A B 6 8.521 13.232 -2.077 1.00 0.00 C ATOM 1137 C6 A B 6 9.006 13.607 -0.811 1.00 0.00 C ATOM 1138 N6 A B 6 8.437 13.247 0.339 1.00 0.00 N ATOM 1139 N1 A B 6 10.102 14.373 -0.742 1.00 0.00 N ATOM 1140 C2 A B 6 10.692 14.742 -1.870 1.00 0.00 C ATOM 1141 N3 A B 6 10.357 14.452 -3.119 1.00 0.00 N ATOM 1142 C4 A B 6 9.246 13.681 -3.149 1.00 0.00 C ATOM 0 H5' A B 6 6.329 13.621 -7.851 1.00 0.00 H new ATOM 0 H5'' A B 6 6.484 15.345 -7.580 1.00 0.00 H new ATOM 0 H4' A B 6 8.991 15.003 -8.194 1.00 0.00 H new ATOM 0 H3' A B 6 8.352 12.315 -8.712 1.00 0.00 H new ATOM 0 H2' A B 6 7.734 11.785 -6.406 1.00 0.00 H new ATOM 0 HO2' A B 6 9.488 10.814 -5.419 1.00 0.00 H new ATOM 0 H1' A B 6 10.157 13.502 -5.577 1.00 0.00 H new ATOM 0 H8 A B 6 6.862 11.954 -4.456 1.00 0.00 H new ATOM 0 H61 A B 6 8.839 13.553 1.225 1.00 0.00 H new ATOM 0 H62 A B 6 7.599 12.665 0.333 1.00 0.00 H new ATOM 0 H2 A B 6 11.567 15.365 -1.755 1.00 0.00 H new ATOM 1154 P U B 7 11.002 11.739 -9.005 1.00 0.00 P ATOM 1155 OP1 U B 7 11.734 12.248 -10.186 1.00 0.00 O ATOM 1156 OP2 U B 7 10.067 10.604 -9.159 1.00 0.00 O ATOM 1157 O5' U B 7 12.073 11.361 -7.866 1.00 0.00 O ATOM 1158 C5' U B 7 13.462 11.436 -8.118 1.00 0.00 C ATOM 1159 C4' U B 7 14.294 11.093 -6.875 1.00 0.00 C ATOM 1160 O4' U B 7 14.711 12.282 -6.219 1.00 0.00 O ATOM 1161 C3' U B 7 13.506 10.296 -5.839 1.00 0.00 C ATOM 1162 O3' U B 7 14.417 9.600 -5.012 1.00 0.00 O ATOM 1163 C2' U B 7 12.820 11.416 -5.066 1.00 0.00 C ATOM 1164 O2' U B 7 12.453 11.008 -3.764 1.00 0.00 O ATOM 1165 C1' U B 7 13.904 12.493 -5.067 1.00 0.00 C ATOM 1166 N1 U B 7 13.335 13.864 -5.076 1.00 0.00 N ATOM 1167 C2 U B 7 13.792 14.769 -4.127 1.00 0.00 C ATOM 1168 O2 U B 7 14.661 14.482 -3.307 1.00 0.00 O ATOM 1169 N3 U B 7 13.218 16.025 -4.140 1.00 0.00 N ATOM 1170 C4 U B 7 12.237 16.452 -5.020 1.00 0.00 C ATOM 1171 O4 U B 7 11.785 17.596 -4.938 1.00 0.00 O ATOM 1172 C5 U B 7 11.830 15.455 -5.985 1.00 0.00 C ATOM 1173 C6 U B 7 12.384 14.222 -5.989 1.00 0.00 C ATOM 0 H5' U B 7 13.715 12.441 -8.457 1.00 0.00 H new ATOM 0 H5'' U B 7 13.721 10.752 -8.927 1.00 0.00 H new ATOM 0 H4' U B 7 15.134 10.502 -7.238 1.00 0.00 H new ATOM 0 H3' U B 7 12.816 9.554 -6.240 1.00 0.00 H new ATOM 0 H2' U B 7 11.877 11.750 -5.499 1.00 0.00 H new ATOM 0 HO2' U B 7 12.946 10.196 -3.525 1.00 0.00 H new ATOM 0 HO3' U B 7 15.218 10.147 -4.875 1.00 0.00 H new ATOM 0 H1' U B 7 14.493 12.414 -4.153 1.00 0.00 H new ATOM 0 H3 U B 7 13.544 16.695 -3.443 1.00 0.00 H new ATOM 0 H5 U B 7 11.072 15.699 -6.714 1.00 0.00 H new ATOM 0 H6 U B 7 12.068 13.504 -6.731 1.00 0.00 H new TER 1185 U B 7 HETATM 1186 ZN ZN A 187 -3.317 0.683 -11.595 1.00 0.00 ZN HETATM 1187 ZN ZN A 188 4.982 -3.796 6.131 1.00 0.00 ZN