USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 147 HIS HE2 : A 147 HIS NE2 : A 187 ZNZN :(H bumps) USER MOD NoAdj-H: A 169 HIS HE2 : A 169 HIS NE2 : A 188 ZNZN :(H bumps) USER MOD Set 1.1: A 150 LYS NZ :NH3+ 164:sc= 0.0876 (180deg=-0.106) USER MOD Set 1.2: B 4 A O2' : rot 180:sc= 0.12 USER MOD Set 2.1: A 135 LYS NZ :NH3+ -166:sc= 0.709 (180deg=0) USER MOD Set 2.2: A 148 HIS : no HE2:sc= -0.551 X(o=0.79,f=0.85) USER MOD Set 2.3: B 5 G O2' : rot 144:sc= 0.627 USER MOD Single : A 125 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.125) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 MET CE :methyl 166:sc= 0 (180deg=-0.24) USER MOD Single : A 130 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.5!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= -0.0179 USER MOD Single : A 140 TYR OH : rot -9:sc= 0.359 USER MOD Single : A 141 ASN : amide:sc= -0.63 X(o=-0.63,f=-0.84) USER MOD Single : A 153 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0421) USER MOD Single : A 157 GLN : amide:sc= 0.131 X(o=0.13,f=-0.041) USER MOD Single : A 159 LYS NZ :NH3+ -108:sc= 0.495 (180deg=-0.46) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 HIS : no HD1:sc= 0.165 K(o=0.16,f=-7.7!) USER MOD Single : A 165 GLN : amide:sc= 0.879 K(o=0.88,f=-1.4) USER MOD Single : A 166 SER OG : rot 98:sc= 1.38 USER MOD Single : A 168 SER OG : rot 180:sc= -0.231 USER MOD Single : A 170 MET CE :methyl -179:sc= -3.6! (180deg=-3.8!) USER MOD Single : A 173 SER OG : rot -54:sc= 0.0116 USER MOD Single : A 177 LYS NZ :NH3+ 180:sc= 0.183 (180deg=0.183) USER MOD Single : A 179 GLN : amide:sc= -0.184 K(o=-0.18,f=-2.6!) USER MOD Single : A 180 GLN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 183 SER OG : rot 180:sc= -0.0127 USER MOD Single : A 185 GLN : amide:sc=-0.00406 K(o=-0.0041,f=-1.2) USER MOD Single : B 1 A O2' : rot 24:sc= -0.768 USER MOD Single : B 1 A O5' : rot 180:sc= 0 USER MOD Single : B 2 G O2' : rot 46:sc= 0.273 USER MOD Single : B 3 G O2' : rot 16:sc= 0.351 USER MOD Single : B 6 A O2' : rot 55:sc= 0.809 USER MOD Single : B 7 U O2' : rot 180:sc= 0 USER MOD Single : B 7 U O3' : rot 126:sc= 0.0718 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 124 5.422 -6.156 -3.970 1.00 0.00 N ATOM 2 CA PRO A 124 6.187 -4.900 -3.967 1.00 0.00 C ATOM 3 C PRO A 124 7.268 -4.880 -2.897 1.00 0.00 C ATOM 4 O PRO A 124 6.987 -5.103 -1.725 1.00 0.00 O ATOM 5 CB PRO A 124 5.169 -3.773 -3.783 1.00 0.00 C ATOM 6 CG PRO A 124 3.862 -4.354 -4.330 1.00 0.00 C ATOM 7 CD PRO A 124 4.223 -5.781 -4.733 1.00 0.00 C ATOM 0 HA PRO A 124 6.729 -4.781 -4.905 1.00 0.00 H new ATOM 0 HB2 PRO A 124 5.072 -3.492 -2.734 1.00 0.00 H new ATOM 0 HB3 PRO A 124 5.465 -2.876 -4.328 1.00 0.00 H new ATOM 0 HG2 PRO A 124 3.075 -4.341 -3.576 1.00 0.00 H new ATOM 0 HG3 PRO A 124 3.497 -3.780 -5.182 1.00 0.00 H new ATOM 0 HD2 PRO A 124 3.400 -6.462 -4.516 1.00 0.00 H new ATOM 0 HD3 PRO A 124 4.414 -5.842 -5.804 1.00 0.00 H new ATOM 15 N LYS A 125 8.511 -4.612 -3.307 1.00 0.00 N ATOM 16 CA LYS A 125 9.664 -4.539 -2.420 1.00 0.00 C ATOM 17 C LYS A 125 10.608 -3.446 -2.921 1.00 0.00 C ATOM 18 O LYS A 125 10.403 -2.890 -3.996 1.00 0.00 O ATOM 19 CB LYS A 125 10.392 -5.892 -2.391 1.00 0.00 C ATOM 20 CG LYS A 125 9.525 -7.038 -1.860 1.00 0.00 C ATOM 21 CD LYS A 125 9.175 -6.853 -0.381 1.00 0.00 C ATOM 22 CE LYS A 125 8.222 -7.963 0.075 1.00 0.00 C ATOM 23 NZ LYS A 125 8.866 -9.286 0.036 1.00 0.00 N ATOM 0 H LYS A 125 8.743 -4.437 -4.285 1.00 0.00 H new ATOM 0 HA LYS A 125 9.334 -4.301 -1.409 1.00 0.00 H new ATOM 0 HB2 LYS A 125 10.728 -6.137 -3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 125 11.284 -5.803 -1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 125 8.607 -7.100 -2.445 1.00 0.00 H new ATOM 0 HG3 LYS A 125 10.052 -7.983 -1.993 1.00 0.00 H new ATOM 0 HD2 LYS A 125 10.083 -6.872 0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 125 8.711 -5.879 -0.228 1.00 0.00 H new ATOM 0 HE2 LYS A 125 7.880 -7.755 1.089 1.00 0.00 H new ATOM 0 HE3 LYS A 125 7.339 -7.969 -0.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 8.263 -9.980 0.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 9.001 -9.577 -0.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 9.789 -9.237 0.512 1.00 0.00 H new ATOM 37 N GLY A 126 11.644 -3.144 -2.139 1.00 0.00 N ATOM 38 CA GLY A 126 12.592 -2.101 -2.497 1.00 0.00 C ATOM 39 C GLY A 126 13.648 -1.889 -1.420 1.00 0.00 C ATOM 40 O GLY A 126 13.660 -2.581 -0.404 1.00 0.00 O ATOM 0 H GLY A 126 11.844 -3.610 -1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 126 13.080 -2.363 -3.436 1.00 0.00 H new ATOM 0 HA3 GLY A 126 12.056 -1.167 -2.666 1.00 0.00 H new ATOM 44 N LYS A 127 14.535 -0.922 -1.653 1.00 0.00 N ATOM 45 CA LYS A 127 15.635 -0.562 -0.760 1.00 0.00 C ATOM 46 C LYS A 127 15.783 0.957 -0.733 1.00 0.00 C ATOM 47 O LYS A 127 14.932 1.672 -1.262 1.00 0.00 O ATOM 48 CB LYS A 127 16.930 -1.226 -1.241 1.00 0.00 C ATOM 49 CG LYS A 127 16.845 -2.757 -1.252 1.00 0.00 C ATOM 50 CD LYS A 127 16.702 -3.319 0.163 1.00 0.00 C ATOM 51 CE LYS A 127 16.438 -4.823 0.089 1.00 0.00 C ATOM 52 NZ LYS A 127 16.268 -5.399 1.439 1.00 0.00 N ATOM 0 H LYS A 127 14.506 -0.349 -2.496 1.00 0.00 H new ATOM 0 HA LYS A 127 15.424 -0.914 0.250 1.00 0.00 H new ATOM 0 HB2 LYS A 127 17.163 -0.872 -2.246 1.00 0.00 H new ATOM 0 HB3 LYS A 127 17.753 -0.917 -0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 127 15.995 -3.071 -1.857 1.00 0.00 H new ATOM 0 HG3 LYS A 127 17.739 -3.169 -1.720 1.00 0.00 H new ATOM 0 HD2 LYS A 127 17.609 -3.126 0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 127 15.884 -2.820 0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 127 15.543 -5.010 -0.505 1.00 0.00 H new ATOM 0 HE3 LYS A 127 17.267 -5.317 -0.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 16.090 -6.421 1.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 17.132 -5.240 1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 15.462 -4.943 1.912 1.00 0.00 H new ATOM 66 N SER A 128 16.856 1.459 -0.115 1.00 0.00 N ATOM 67 CA SER A 128 17.117 2.889 -0.046 1.00 0.00 C ATOM 68 C SER A 128 17.236 3.494 -1.444 1.00 0.00 C ATOM 69 O SER A 128 17.443 2.781 -2.427 1.00 0.00 O ATOM 70 CB SER A 128 18.392 3.140 0.764 1.00 0.00 C ATOM 71 OG SER A 128 19.497 2.564 0.103 1.00 0.00 O ATOM 0 H SER A 128 17.561 0.885 0.347 1.00 0.00 H new ATOM 0 HA SER A 128 16.277 3.374 0.452 1.00 0.00 H new ATOM 0 HB2 SER A 128 18.549 4.211 0.890 1.00 0.00 H new ATOM 0 HB3 SER A 128 18.290 2.713 1.762 1.00 0.00 H new ATOM 0 HG SER A 128 20.311 2.728 0.623 1.00 0.00 H new ATOM 77 N MET A 129 17.099 4.818 -1.527 1.00 0.00 N ATOM 78 CA MET A 129 17.169 5.551 -2.782 1.00 0.00 C ATOM 79 C MET A 129 18.563 5.471 -3.400 1.00 0.00 C ATOM 80 O MET A 129 19.459 4.829 -2.857 1.00 0.00 O ATOM 81 CB MET A 129 16.749 7.002 -2.533 1.00 0.00 C ATOM 82 CG MET A 129 15.286 7.048 -2.086 1.00 0.00 C ATOM 83 SD MET A 129 14.650 8.702 -1.733 1.00 0.00 S ATOM 84 CE MET A 129 13.013 8.225 -1.123 1.00 0.00 C ATOM 0 H MET A 129 16.935 5.413 -0.715 1.00 0.00 H new ATOM 0 HA MET A 129 16.486 5.098 -3.500 1.00 0.00 H new ATOM 0 HB2 MET A 129 17.386 7.449 -1.770 1.00 0.00 H new ATOM 0 HB3 MET A 129 16.880 7.589 -3.442 1.00 0.00 H new ATOM 0 HG2 MET A 129 14.670 6.596 -2.863 1.00 0.00 H new ATOM 0 HG3 MET A 129 15.175 6.433 -1.193 1.00 0.00 H new ATOM 0 HE1 MET A 129 12.550 9.075 -0.621 1.00 0.00 H new ATOM 0 HE2 MET A 129 12.389 7.914 -1.961 1.00 0.00 H new ATOM 0 HE3 MET A 129 13.113 7.399 -0.419 1.00 0.00 H new ATOM 94 N GLN A 130 18.750 6.129 -4.545 1.00 0.00 N ATOM 95 CA GLN A 130 19.984 6.058 -5.314 1.00 0.00 C ATOM 96 C GLN A 130 20.507 7.469 -5.577 1.00 0.00 C ATOM 97 O GLN A 130 20.004 8.434 -4.997 1.00 0.00 O ATOM 98 CB GLN A 130 19.719 5.316 -6.628 1.00 0.00 C ATOM 99 CG GLN A 130 19.004 3.976 -6.435 1.00 0.00 C ATOM 100 CD GLN A 130 17.491 4.128 -6.264 1.00 0.00 C ATOM 101 OE1 GLN A 130 16.902 5.119 -6.688 1.00 0.00 O ATOM 102 NE2 GLN A 130 16.849 3.150 -5.634 1.00 0.00 N ATOM 0 H GLN A 130 18.041 6.730 -4.965 1.00 0.00 H new ATOM 0 HA GLN A 130 20.743 5.512 -4.753 1.00 0.00 H new ATOM 0 HB2 GLN A 130 19.118 5.950 -7.280 1.00 0.00 H new ATOM 0 HB3 GLN A 130 20.667 5.144 -7.137 1.00 0.00 H new ATOM 0 HG2 GLN A 130 19.205 3.336 -7.294 1.00 0.00 H new ATOM 0 HG3 GLN A 130 19.415 3.473 -5.559 1.00 0.00 H new ATOM 0 HE21 GLN A 130 17.364 2.339 -5.293 1.00 0.00 H new ATOM 0 HE22 GLN A 130 15.841 3.211 -5.492 1.00 0.00 H new ATOM 111 N LYS A 131 21.516 7.609 -6.446 1.00 0.00 N ATOM 112 CA LYS A 131 22.020 8.916 -6.861 1.00 0.00 C ATOM 113 C LYS A 131 20.882 9.761 -7.451 1.00 0.00 C ATOM 114 O LYS A 131 20.993 10.980 -7.540 1.00 0.00 O ATOM 115 CB LYS A 131 23.160 8.711 -7.862 1.00 0.00 C ATOM 116 CG LYS A 131 23.732 10.018 -8.430 1.00 0.00 C ATOM 117 CD LYS A 131 24.343 10.917 -7.355 1.00 0.00 C ATOM 118 CE LYS A 131 25.550 10.235 -6.708 1.00 0.00 C ATOM 119 NZ LYS A 131 26.135 11.086 -5.657 1.00 0.00 N ATOM 0 H LYS A 131 22.001 6.822 -6.877 1.00 0.00 H new ATOM 0 HA LYS A 131 22.409 9.461 -6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 131 23.962 8.156 -7.375 1.00 0.00 H new ATOM 0 HB3 LYS A 131 22.800 8.095 -8.686 1.00 0.00 H new ATOM 0 HG2 LYS A 131 24.492 9.783 -9.175 1.00 0.00 H new ATOM 0 HG3 LYS A 131 22.940 10.562 -8.944 1.00 0.00 H new ATOM 0 HD2 LYS A 131 24.648 11.866 -7.796 1.00 0.00 H new ATOM 0 HD3 LYS A 131 23.596 11.144 -6.595 1.00 0.00 H new ATOM 0 HE2 LYS A 131 25.247 9.279 -6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 131 26.302 10.020 -7.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 26.952 10.602 -5.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 26.444 11.988 -6.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 25.422 11.270 -4.922 1.00 0.00 H new ATOM 133 N ARG A 132 19.787 9.104 -7.851 1.00 0.00 N ATOM 134 CA ARG A 132 18.579 9.730 -8.371 1.00 0.00 C ATOM 135 C ARG A 132 17.361 9.026 -7.772 1.00 0.00 C ATOM 136 O ARG A 132 17.503 8.222 -6.853 1.00 0.00 O ATOM 137 CB ARG A 132 18.566 9.657 -9.898 1.00 0.00 C ATOM 138 CG ARG A 132 19.717 10.431 -10.552 1.00 0.00 C ATOM 139 CD ARG A 132 19.624 11.926 -10.240 1.00 0.00 C ATOM 140 NE ARG A 132 20.744 12.655 -10.844 1.00 0.00 N ATOM 141 CZ ARG A 132 20.678 13.427 -11.932 1.00 0.00 C ATOM 142 NH1 ARG A 132 19.540 13.594 -12.599 1.00 0.00 N ATOM 143 NH2 ARG A 132 21.772 14.050 -12.357 1.00 0.00 N ATOM 0 H ARG A 132 19.722 8.087 -7.818 1.00 0.00 H new ATOM 0 HA ARG A 132 18.552 10.783 -8.090 1.00 0.00 H new ATOM 0 HB2 ARG A 132 18.619 8.613 -10.205 1.00 0.00 H new ATOM 0 HB3 ARG A 132 17.618 10.050 -10.266 1.00 0.00 H new ATOM 0 HG2 ARG A 132 20.670 10.041 -10.196 1.00 0.00 H new ATOM 0 HG3 ARG A 132 19.694 10.280 -11.631 1.00 0.00 H new ATOM 0 HD2 ARG A 132 18.681 12.323 -10.616 1.00 0.00 H new ATOM 0 HD3 ARG A 132 19.625 12.078 -9.161 1.00 0.00 H new ATOM 0 HE ARG A 132 21.654 12.564 -10.393 1.00 0.00 H new ATOM 0 HH11 ARG A 132 18.690 13.127 -12.283 1.00 0.00 H new ATOM 0 HH12 ARG A 132 19.517 14.189 -13.427 1.00 0.00 H new ATOM 0 HH21 ARG A 132 22.652 13.936 -11.853 1.00 0.00 H new ATOM 0 HH22 ARG A 132 21.732 14.642 -13.187 1.00 0.00 H new ATOM 157 N ARG A 133 16.167 9.322 -8.288 1.00 0.00 N ATOM 158 CA ARG A 133 14.918 8.809 -7.723 1.00 0.00 C ATOM 159 C ARG A 133 14.005 8.270 -8.825 1.00 0.00 C ATOM 160 O ARG A 133 14.313 8.403 -10.011 1.00 0.00 O ATOM 161 CB ARG A 133 14.236 9.906 -6.905 1.00 0.00 C ATOM 162 CG ARG A 133 15.113 10.294 -5.709 1.00 0.00 C ATOM 163 CD ARG A 133 14.480 11.449 -4.942 1.00 0.00 C ATOM 164 NE ARG A 133 15.298 11.833 -3.790 1.00 0.00 N ATOM 165 CZ ARG A 133 15.415 13.082 -3.324 1.00 0.00 C ATOM 166 NH1 ARG A 133 14.805 14.102 -3.924 1.00 0.00 N ATOM 167 NH2 ARG A 133 16.152 13.310 -2.244 1.00 0.00 N ATOM 0 H ARG A 133 16.039 9.920 -9.104 1.00 0.00 H new ATOM 0 HA ARG A 133 15.139 7.975 -7.057 1.00 0.00 H new ATOM 0 HB2 ARG A 133 14.056 10.779 -7.532 1.00 0.00 H new ATOM 0 HB3 ARG A 133 13.264 9.559 -6.555 1.00 0.00 H new ATOM 0 HG2 ARG A 133 15.240 9.436 -5.049 1.00 0.00 H new ATOM 0 HG3 ARG A 133 16.106 10.579 -6.055 1.00 0.00 H new ATOM 0 HD2 ARG A 133 14.357 12.305 -5.605 1.00 0.00 H new ATOM 0 HD3 ARG A 133 13.484 11.162 -4.604 1.00 0.00 H new ATOM 0 HE ARG A 133 15.815 11.097 -3.309 1.00 0.00 H new ATOM 0 HH11 ARG A 133 14.236 13.939 -4.755 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.907 15.047 -3.553 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.624 12.536 -1.776 1.00 0.00 H new ATOM 0 HH22 ARG A 133 16.247 14.259 -1.882 1.00 0.00 H new ATOM 181 N SER A 134 12.885 7.661 -8.434 1.00 0.00 N ATOM 182 CA SER A 134 12.034 6.919 -9.356 1.00 0.00 C ATOM 183 C SER A 134 10.545 7.082 -9.053 1.00 0.00 C ATOM 184 O SER A 134 9.756 6.263 -9.521 1.00 0.00 O ATOM 185 CB SER A 134 12.434 5.444 -9.299 1.00 0.00 C ATOM 186 OG SER A 134 13.810 5.313 -9.585 1.00 0.00 O ATOM 0 H SER A 134 12.546 7.670 -7.472 1.00 0.00 H new ATOM 0 HA SER A 134 12.183 7.322 -10.358 1.00 0.00 H new ATOM 0 HB2 SER A 134 12.218 5.036 -8.312 1.00 0.00 H new ATOM 0 HB3 SER A 134 11.847 4.870 -10.016 1.00 0.00 H new ATOM 0 HG SER A 134 14.064 4.367 -9.546 1.00 0.00 H new ATOM 192 N LYS A 135 10.179 8.120 -8.287 1.00 0.00 N ATOM 193 CA LYS A 135 8.815 8.603 -7.994 1.00 0.00 C ATOM 194 C LYS A 135 8.559 8.640 -6.487 1.00 0.00 C ATOM 195 O LYS A 135 7.711 9.398 -6.025 1.00 0.00 O ATOM 196 CB LYS A 135 7.730 7.787 -8.715 1.00 0.00 C ATOM 197 CG LYS A 135 6.341 8.429 -8.649 1.00 0.00 C ATOM 198 CD LYS A 135 6.253 9.737 -9.438 1.00 0.00 C ATOM 199 CE LYS A 135 6.553 9.500 -10.921 1.00 0.00 C ATOM 200 NZ LYS A 135 6.444 10.741 -11.703 1.00 0.00 N ATOM 0 H LYS A 135 10.882 8.691 -7.818 1.00 0.00 H new ATOM 0 HA LYS A 135 8.753 9.620 -8.382 1.00 0.00 H new ATOM 0 HB2 LYS A 135 8.015 7.661 -9.760 1.00 0.00 H new ATOM 0 HB3 LYS A 135 7.683 6.791 -8.275 1.00 0.00 H new ATOM 0 HG2 LYS A 135 5.603 7.727 -9.036 1.00 0.00 H new ATOM 0 HG3 LYS A 135 6.084 8.621 -7.607 1.00 0.00 H new ATOM 0 HD2 LYS A 135 5.257 10.167 -9.328 1.00 0.00 H new ATOM 0 HD3 LYS A 135 6.959 10.461 -9.031 1.00 0.00 H new ATOM 0 HE2 LYS A 135 7.557 9.089 -11.028 1.00 0.00 H new ATOM 0 HE3 LYS A 135 5.861 8.758 -11.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 6.417 10.511 -12.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 5.572 11.243 -11.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 7.265 11.348 -11.507 1.00 0.00 H new ATOM 214 N GLY A 136 9.289 7.823 -5.723 1.00 0.00 N ATOM 215 CA GLY A 136 9.165 7.740 -4.273 1.00 0.00 C ATOM 216 C GLY A 136 7.943 6.935 -3.825 1.00 0.00 C ATOM 217 O GLY A 136 7.961 6.340 -2.745 1.00 0.00 O ATOM 0 H GLY A 136 9.993 7.192 -6.105 1.00 0.00 H new ATOM 0 HA2 GLY A 136 10.065 7.283 -3.862 1.00 0.00 H new ATOM 0 HA3 GLY A 136 9.102 8.747 -3.861 1.00 0.00 H new ATOM 221 N ASP A 137 6.884 6.910 -4.637 1.00 0.00 N ATOM 222 CA ASP A 137 5.678 6.136 -4.376 1.00 0.00 C ATOM 223 C ASP A 137 5.158 5.518 -5.684 1.00 0.00 C ATOM 224 O ASP A 137 5.829 5.585 -6.711 1.00 0.00 O ATOM 225 CB ASP A 137 4.654 7.024 -3.671 1.00 0.00 C ATOM 226 CG ASP A 137 3.844 6.241 -2.648 1.00 0.00 C ATOM 227 OD1 ASP A 137 3.416 5.113 -2.977 1.00 0.00 O ATOM 228 OD2 ASP A 137 3.657 6.781 -1.532 1.00 0.00 O ATOM 0 H ASP A 137 6.844 7.438 -5.509 1.00 0.00 H new ATOM 0 HA ASP A 137 5.890 5.301 -3.708 1.00 0.00 H new ATOM 0 HB2 ASP A 137 5.166 7.849 -3.176 1.00 0.00 H new ATOM 0 HB3 ASP A 137 3.983 7.463 -4.409 1.00 0.00 H new ATOM 233 N ARG A 138 3.967 4.917 -5.652 1.00 0.00 N ATOM 234 CA ARG A 138 3.383 4.205 -6.787 1.00 0.00 C ATOM 235 C ARG A 138 1.906 4.583 -6.965 1.00 0.00 C ATOM 236 O ARG A 138 1.371 5.362 -6.176 1.00 0.00 O ATOM 237 CB ARG A 138 3.561 2.700 -6.550 1.00 0.00 C ATOM 238 CG ARG A 138 4.936 2.260 -7.056 1.00 0.00 C ATOM 239 CD ARG A 138 5.185 0.779 -6.805 1.00 0.00 C ATOM 240 NE ARG A 138 5.301 0.456 -5.382 1.00 0.00 N ATOM 241 CZ ARG A 138 6.458 0.257 -4.744 1.00 0.00 C ATOM 242 NH1 ARG A 138 7.622 0.390 -5.364 1.00 0.00 N ATOM 243 NH2 ARG A 138 6.446 -0.088 -3.465 1.00 0.00 N ATOM 0 H ARG A 138 3.373 4.912 -4.823 1.00 0.00 H new ATOM 0 HA ARG A 138 3.889 4.486 -7.711 1.00 0.00 H new ATOM 0 HB2 ARG A 138 3.464 2.475 -5.488 1.00 0.00 H new ATOM 0 HB3 ARG A 138 2.778 2.145 -7.066 1.00 0.00 H new ATOM 0 HG2 ARG A 138 5.013 2.465 -8.124 1.00 0.00 H new ATOM 0 HG3 ARG A 138 5.710 2.847 -6.562 1.00 0.00 H new ATOM 0 HD2 ARG A 138 4.370 0.200 -7.239 1.00 0.00 H new ATOM 0 HD3 ARG A 138 6.099 0.477 -7.317 1.00 0.00 H new ATOM 0 HE ARG A 138 4.440 0.378 -4.841 1.00 0.00 H new ATOM 0 HH11 ARG A 138 7.648 0.650 -6.350 1.00 0.00 H new ATOM 0 HH12 ARG A 138 8.492 0.233 -4.855 1.00 0.00 H new ATOM 0 HH21 ARG A 138 5.558 -0.200 -2.975 1.00 0.00 H new ATOM 0 HH22 ARG A 138 7.324 -0.242 -2.970 1.00 0.00 H new ATOM 257 N CYS A 139 1.256 4.036 -7.999 1.00 0.00 N ATOM 258 CA CYS A 139 -0.166 4.220 -8.270 1.00 0.00 C ATOM 259 C CYS A 139 -0.952 4.067 -6.975 1.00 0.00 C ATOM 260 O CYS A 139 -1.049 2.970 -6.419 1.00 0.00 O ATOM 261 CB CYS A 139 -0.618 3.219 -9.346 1.00 0.00 C ATOM 262 SG CYS A 139 -2.423 3.047 -9.393 1.00 0.00 S ATOM 0 H CYS A 139 1.720 3.440 -8.684 1.00 0.00 H new ATOM 0 HA CYS A 139 -0.354 5.223 -8.654 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -0.259 3.547 -10.321 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -0.165 2.247 -9.151 1.00 0.00 H new ATOM 267 N TYR A 140 -1.510 5.179 -6.496 1.00 0.00 N ATOM 268 CA TYR A 140 -2.274 5.219 -5.259 1.00 0.00 C ATOM 269 C TYR A 140 -3.616 4.499 -5.367 1.00 0.00 C ATOM 270 O TYR A 140 -4.452 4.616 -4.472 1.00 0.00 O ATOM 271 CB TYR A 140 -2.452 6.680 -4.827 1.00 0.00 C ATOM 272 CG TYR A 140 -1.167 7.289 -4.313 1.00 0.00 C ATOM 273 CD1 TYR A 140 -0.472 6.656 -3.266 1.00 0.00 C ATOM 274 CD2 TYR A 140 -0.664 8.467 -4.876 1.00 0.00 C ATOM 275 CE1 TYR A 140 0.724 7.195 -2.788 1.00 0.00 C ATOM 276 CE2 TYR A 140 0.537 9.017 -4.397 1.00 0.00 C ATOM 277 CZ TYR A 140 1.231 8.382 -3.351 1.00 0.00 C ATOM 278 OH TYR A 140 2.392 8.911 -2.878 1.00 0.00 O ATOM 0 H TYR A 140 -1.441 6.083 -6.963 1.00 0.00 H new ATOM 0 HA TYR A 140 -1.714 4.678 -4.496 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -2.815 7.264 -5.672 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -3.214 6.736 -4.050 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -0.865 5.749 -2.830 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -1.199 8.953 -5.678 1.00 0.00 H new ATOM 0 HE1 TYR A 140 1.259 6.703 -1.989 1.00 0.00 H new ATOM 0 HE2 TYR A 140 0.927 9.926 -4.831 1.00 0.00 H new ATOM 0 HH TYR A 140 2.662 8.433 -2.066 1.00 0.00 H new ATOM 288 N ASN A 141 -3.836 3.753 -6.452 1.00 0.00 N ATOM 289 CA ASN A 141 -5.077 3.016 -6.635 1.00 0.00 C ATOM 290 C ASN A 141 -4.832 1.510 -6.714 1.00 0.00 C ATOM 291 O ASN A 141 -5.704 0.743 -6.309 1.00 0.00 O ATOM 292 CB ASN A 141 -5.779 3.537 -7.890 1.00 0.00 C ATOM 293 CG ASN A 141 -7.169 2.943 -8.054 1.00 0.00 C ATOM 294 OD1 ASN A 141 -8.147 3.542 -7.621 1.00 0.00 O ATOM 295 ND2 ASN A 141 -7.266 1.775 -8.674 1.00 0.00 N ATOM 0 H ASN A 141 -3.167 3.647 -7.215 1.00 0.00 H new ATOM 0 HA ASN A 141 -5.720 3.177 -5.769 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -5.853 4.623 -7.839 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.177 3.299 -8.767 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -8.180 1.342 -8.806 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -6.427 1.310 -9.019 1.00 0.00 H new ATOM 302 N CYS A 142 -3.676 1.070 -7.235 1.00 0.00 N ATOM 303 CA CYS A 142 -3.356 -0.346 -7.321 1.00 0.00 C ATOM 304 C CYS A 142 -2.038 -0.665 -6.627 1.00 0.00 C ATOM 305 O CYS A 142 -1.934 -1.669 -5.926 1.00 0.00 O ATOM 306 CB CYS A 142 -3.368 -0.751 -8.792 1.00 0.00 C ATOM 307 SG CYS A 142 -1.853 -0.275 -9.636 1.00 0.00 S ATOM 0 H CYS A 142 -2.950 1.685 -7.602 1.00 0.00 H new ATOM 0 HA CYS A 142 -4.106 -0.933 -6.792 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -3.502 -1.830 -8.870 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -4.220 -0.287 -9.288 1.00 0.00 H new ATOM 312 N GLY A 143 -1.040 0.199 -6.839 1.00 0.00 N ATOM 313 CA GLY A 143 0.306 0.004 -6.324 1.00 0.00 C ATOM 314 C GLY A 143 1.300 -0.306 -7.446 1.00 0.00 C ATOM 315 O GLY A 143 2.364 -0.863 -7.183 1.00 0.00 O ATOM 0 H GLY A 143 -1.151 1.058 -7.378 1.00 0.00 H new ATOM 0 HA2 GLY A 143 0.626 0.900 -5.791 1.00 0.00 H new ATOM 0 HA3 GLY A 143 0.305 -0.813 -5.602 1.00 0.00 H new ATOM 319 N GLY A 144 0.967 0.050 -8.693 1.00 0.00 N ATOM 320 CA GLY A 144 1.830 -0.130 -9.849 1.00 0.00 C ATOM 321 C GLY A 144 2.754 1.064 -10.059 1.00 0.00 C ATOM 322 O GLY A 144 2.569 2.106 -9.440 1.00 0.00 O ATOM 0 H GLY A 144 0.071 0.479 -8.923 1.00 0.00 H new ATOM 0 HA2 GLY A 144 2.427 -1.033 -9.720 1.00 0.00 H new ATOM 0 HA3 GLY A 144 1.219 -0.277 -10.739 1.00 0.00 H new ATOM 326 N LEU A 145 3.752 0.924 -10.929 1.00 0.00 N ATOM 327 CA LEU A 145 4.763 1.952 -11.141 1.00 0.00 C ATOM 328 C LEU A 145 4.727 2.483 -12.565 1.00 0.00 C ATOM 329 O LEU A 145 5.141 3.614 -12.819 1.00 0.00 O ATOM 330 CB LEU A 145 6.174 1.423 -10.848 1.00 0.00 C ATOM 331 CG LEU A 145 6.316 -0.097 -10.951 1.00 0.00 C ATOM 332 CD1 LEU A 145 7.784 -0.479 -11.153 1.00 0.00 C ATOM 333 CD2 LEU A 145 5.848 -0.737 -9.652 1.00 0.00 C ATOM 0 H LEU A 145 3.881 0.093 -11.506 1.00 0.00 H new ATOM 0 HA LEU A 145 4.530 2.761 -10.448 1.00 0.00 H new ATOM 0 HB2 LEU A 145 6.874 1.888 -11.542 1.00 0.00 H new ATOM 0 HB3 LEU A 145 6.464 1.735 -9.845 1.00 0.00 H new ATOM 0 HG LEU A 145 5.718 -0.443 -11.794 1.00 0.00 H new ATOM 0 HD11 LEU A 145 7.871 -1.563 -11.225 1.00 0.00 H new ATOM 0 HD12 LEU A 145 8.155 -0.024 -12.071 1.00 0.00 H new ATOM 0 HD13 LEU A 145 8.372 -0.123 -10.307 1.00 0.00 H new ATOM 0 HD21 LEU A 145 5.948 -1.820 -9.723 1.00 0.00 H new ATOM 0 HD22 LEU A 145 6.457 -0.370 -8.826 1.00 0.00 H new ATOM 0 HD23 LEU A 145 4.803 -0.480 -9.476 1.00 0.00 H new ATOM 345 N ASP A 146 4.239 1.667 -13.497 1.00 0.00 N ATOM 346 CA ASP A 146 4.203 2.011 -14.904 1.00 0.00 C ATOM 347 C ASP A 146 3.098 3.028 -15.197 1.00 0.00 C ATOM 348 O ASP A 146 2.918 3.437 -16.345 1.00 0.00 O ATOM 349 CB ASP A 146 4.007 0.711 -15.684 1.00 0.00 C ATOM 350 CG ASP A 146 4.021 0.942 -17.192 1.00 0.00 C ATOM 351 OD1 ASP A 146 4.986 1.578 -17.667 1.00 0.00 O ATOM 352 OD2 ASP A 146 3.072 0.478 -17.859 1.00 0.00 O ATOM 0 H ASP A 146 3.857 0.745 -13.289 1.00 0.00 H new ATOM 0 HA ASP A 146 5.135 2.488 -15.208 1.00 0.00 H new ATOM 0 HB2 ASP A 146 4.795 0.006 -15.418 1.00 0.00 H new ATOM 0 HB3 ASP A 146 3.060 0.254 -15.396 1.00 0.00 H new ATOM 357 N HIS A 147 2.360 3.436 -14.166 1.00 0.00 N ATOM 358 CA HIS A 147 1.227 4.327 -14.307 1.00 0.00 C ATOM 359 C HIS A 147 0.891 4.970 -12.959 1.00 0.00 C ATOM 360 O HIS A 147 1.628 4.814 -11.985 1.00 0.00 O ATOM 361 CB HIS A 147 0.044 3.510 -14.815 1.00 0.00 C ATOM 362 CG HIS A 147 -0.369 2.439 -13.844 1.00 0.00 C ATOM 363 ND1 HIS A 147 0.164 1.173 -13.731 1.00 0.00 N ATOM 364 CD2 HIS A 147 -1.345 2.554 -12.892 1.00 0.00 C ATOM 365 CE1 HIS A 147 -0.474 0.554 -12.721 1.00 0.00 C ATOM 366 NE2 HIS A 147 -1.417 1.353 -12.188 1.00 0.00 N ATOM 0 H HIS A 147 2.540 3.150 -13.203 1.00 0.00 H new ATOM 0 HA HIS A 147 1.460 5.126 -15.011 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -0.800 4.174 -15.001 1.00 0.00 H new ATOM 0 HB3 HIS A 147 0.305 3.052 -15.769 1.00 0.00 H new ATOM 0 HD1 HIS A 147 0.907 0.778 -14.308 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -1.956 3.427 -12.716 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -0.258 -0.449 -12.383 1.00 0.00 H new ATOM 374 N HIS A 148 -0.233 5.690 -12.901 1.00 0.00 N ATOM 375 CA HIS A 148 -0.694 6.357 -11.691 1.00 0.00 C ATOM 376 C HIS A 148 -2.175 6.072 -11.447 1.00 0.00 C ATOM 377 O HIS A 148 -2.852 5.508 -12.302 1.00 0.00 O ATOM 378 CB HIS A 148 -0.446 7.860 -11.818 1.00 0.00 C ATOM 379 CG HIS A 148 1.019 8.217 -11.782 1.00 0.00 C ATOM 380 ND1 HIS A 148 1.653 9.098 -12.662 1.00 0.00 N ATOM 381 CD2 HIS A 148 1.932 7.732 -10.893 1.00 0.00 C ATOM 382 CE1 HIS A 148 2.940 9.109 -12.280 1.00 0.00 C ATOM 383 NE2 HIS A 148 3.139 8.296 -11.223 1.00 0.00 N ATOM 0 H HIS A 148 -0.850 5.824 -13.702 1.00 0.00 H new ATOM 0 HA HIS A 148 -0.138 5.973 -10.836 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -0.879 8.217 -12.752 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -0.961 8.378 -11.009 1.00 0.00 H new ATOM 0 HD1 HIS A 148 1.229 9.620 -13.429 1.00 0.00 H new ATOM 0 HD2 HIS A 148 1.742 7.039 -10.086 1.00 0.00 H new ATOM 0 HE1 HIS A 148 3.714 9.692 -12.757 1.00 0.00 H new ATOM 391 N ALA A 149 -2.683 6.460 -10.272 1.00 0.00 N ATOM 392 CA ALA A 149 -4.042 6.149 -9.843 1.00 0.00 C ATOM 393 C ALA A 149 -5.097 6.681 -10.815 1.00 0.00 C ATOM 394 O ALA A 149 -6.221 6.189 -10.837 1.00 0.00 O ATOM 395 CB ALA A 149 -4.255 6.747 -8.451 1.00 0.00 C ATOM 0 H ALA A 149 -2.154 7.003 -9.590 1.00 0.00 H new ATOM 0 HA ALA A 149 -4.159 5.066 -9.821 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -5.267 6.526 -8.111 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -3.536 6.315 -7.755 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -4.115 7.827 -8.494 1.00 0.00 H new ATOM 401 N LYS A 150 -4.736 7.686 -11.620 1.00 0.00 N ATOM 402 CA LYS A 150 -5.621 8.280 -12.610 1.00 0.00 C ATOM 403 C LYS A 150 -5.567 7.523 -13.932 1.00 0.00 C ATOM 404 O LYS A 150 -6.468 7.646 -14.758 1.00 0.00 O ATOM 405 CB LYS A 150 -5.203 9.736 -12.813 1.00 0.00 C ATOM 406 CG LYS A 150 -3.758 9.836 -13.312 1.00 0.00 C ATOM 407 CD LYS A 150 -3.195 11.241 -13.099 1.00 0.00 C ATOM 408 CE LYS A 150 -3.060 11.532 -11.606 1.00 0.00 C ATOM 409 NZ LYS A 150 -2.507 12.879 -11.376 1.00 0.00 N ATOM 0 H LYS A 150 -3.809 8.110 -11.597 1.00 0.00 H new ATOM 0 HA LYS A 150 -6.649 8.227 -12.252 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -5.871 10.212 -13.531 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.304 10.280 -11.874 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -3.138 9.110 -12.787 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -3.718 9.582 -14.371 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.223 11.329 -13.584 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.850 11.978 -13.563 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -4.035 11.449 -11.127 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -2.413 10.786 -11.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -2.674 13.159 -10.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -1.484 12.872 -11.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -2.972 13.558 -12.012 1.00 0.00 H new ATOM 423 N GLU A 151 -4.504 6.745 -14.117 1.00 0.00 N ATOM 424 CA GLU A 151 -4.288 5.926 -15.303 1.00 0.00 C ATOM 425 C GLU A 151 -4.570 4.458 -15.013 1.00 0.00 C ATOM 426 O GLU A 151 -4.540 3.628 -15.916 1.00 0.00 O ATOM 427 CB GLU A 151 -2.834 6.068 -15.765 1.00 0.00 C ATOM 428 CG GLU A 151 -2.399 7.525 -15.836 1.00 0.00 C ATOM 429 CD GLU A 151 -1.045 7.668 -16.531 1.00 0.00 C ATOM 430 OE1 GLU A 151 -0.113 6.937 -16.124 1.00 0.00 O ATOM 431 OE2 GLU A 151 -0.950 8.506 -17.452 1.00 0.00 O ATOM 0 H GLU A 151 -3.753 6.666 -13.431 1.00 0.00 H new ATOM 0 HA GLU A 151 -4.970 6.269 -16.081 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -2.181 5.528 -15.080 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -2.718 5.607 -16.746 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -3.149 8.105 -16.374 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -2.339 7.938 -14.829 1.00 0.00 H new ATOM 438 N CYS A 152 -4.845 4.138 -13.745 1.00 0.00 N ATOM 439 CA CYS A 152 -5.130 2.795 -13.293 1.00 0.00 C ATOM 440 C CYS A 152 -6.338 2.213 -14.029 1.00 0.00 C ATOM 441 O CYS A 152 -7.103 2.944 -14.659 1.00 0.00 O ATOM 442 CB CYS A 152 -5.330 2.824 -11.776 1.00 0.00 C ATOM 443 SG CYS A 152 -4.875 1.204 -11.127 1.00 0.00 S ATOM 0 H CYS A 152 -4.873 4.830 -12.996 1.00 0.00 H new ATOM 0 HA CYS A 152 -4.292 2.137 -13.522 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -4.715 3.602 -11.325 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -6.367 3.056 -11.532 1.00 0.00 H new ATOM 448 N LYS A 153 -6.508 0.892 -13.950 1.00 0.00 N ATOM 449 CA LYS A 153 -7.534 0.187 -14.714 1.00 0.00 C ATOM 450 C LYS A 153 -8.391 -0.734 -13.860 1.00 0.00 C ATOM 451 O LYS A 153 -9.284 -1.401 -14.376 1.00 0.00 O ATOM 452 CB LYS A 153 -6.891 -0.558 -15.890 1.00 0.00 C ATOM 453 CG LYS A 153 -5.583 -1.269 -15.542 1.00 0.00 C ATOM 454 CD LYS A 153 -5.774 -2.384 -14.517 1.00 0.00 C ATOM 455 CE LYS A 153 -6.664 -3.498 -15.058 1.00 0.00 C ATOM 456 NZ LYS A 153 -5.984 -4.276 -16.110 1.00 0.00 N ATOM 0 H LYS A 153 -5.941 0.285 -13.358 1.00 0.00 H new ATOM 0 HA LYS A 153 -8.221 0.937 -15.105 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -7.600 -1.292 -16.272 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -6.703 0.152 -16.696 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -5.148 -1.686 -16.450 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -4.871 -0.541 -15.153 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -4.803 -2.795 -14.241 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -6.216 -1.973 -13.609 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -6.952 -4.162 -14.243 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -7.582 -3.068 -15.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -6.570 -5.095 -16.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -5.837 -3.675 -16.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -5.064 -4.608 -15.757 1.00 0.00 H new ATOM 470 N LEU A 154 -8.126 -0.774 -12.554 1.00 0.00 N ATOM 471 CA LEU A 154 -8.885 -1.586 -11.607 1.00 0.00 C ATOM 472 C LEU A 154 -9.542 -0.688 -10.551 1.00 0.00 C ATOM 473 O LEU A 154 -9.186 0.484 -10.432 1.00 0.00 O ATOM 474 CB LEU A 154 -7.964 -2.678 -11.032 1.00 0.00 C ATOM 475 CG LEU A 154 -6.579 -2.198 -10.617 1.00 0.00 C ATOM 476 CD1 LEU A 154 -6.728 -1.299 -9.408 1.00 0.00 C ATOM 477 CD2 LEU A 154 -5.720 -3.389 -10.209 1.00 0.00 C ATOM 0 H LEU A 154 -7.373 -0.239 -12.122 1.00 0.00 H new ATOM 0 HA LEU A 154 -9.708 -2.102 -12.100 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -8.452 -3.125 -10.166 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -7.851 -3.466 -11.776 1.00 0.00 H new ATOM 0 HG LEU A 154 -6.113 -1.671 -11.450 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -5.746 -0.944 -9.095 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -7.357 -0.446 -9.664 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -7.188 -1.858 -8.593 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -4.731 -3.040 -9.913 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -6.188 -3.905 -9.371 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -5.626 -4.075 -11.051 1.00 0.00 H new ATOM 489 N PRO A 155 -10.501 -1.214 -9.778 1.00 0.00 N ATOM 490 CA PRO A 155 -11.189 -0.462 -8.740 1.00 0.00 C ATOM 491 C PRO A 155 -10.210 -0.109 -7.618 1.00 0.00 C ATOM 492 O PRO A 155 -9.111 -0.650 -7.575 1.00 0.00 O ATOM 493 CB PRO A 155 -12.310 -1.388 -8.259 1.00 0.00 C ATOM 494 CG PRO A 155 -11.807 -2.788 -8.588 1.00 0.00 C ATOM 495 CD PRO A 155 -10.995 -2.577 -9.863 1.00 0.00 C ATOM 0 HA PRO A 155 -11.594 0.486 -9.095 1.00 0.00 H new ATOM 0 HB2 PRO A 155 -12.492 -1.271 -7.191 1.00 0.00 H new ATOM 0 HB3 PRO A 155 -13.250 -1.173 -8.768 1.00 0.00 H new ATOM 0 HG2 PRO A 155 -11.195 -3.195 -7.783 1.00 0.00 H new ATOM 0 HG3 PRO A 155 -12.630 -3.485 -8.746 1.00 0.00 H new ATOM 0 HD2 PRO A 155 -10.173 -3.290 -9.929 1.00 0.00 H new ATOM 0 HD3 PRO A 155 -11.612 -2.718 -10.751 1.00 0.00 H new ATOM 503 N PRO A 156 -10.579 0.797 -6.704 1.00 0.00 N ATOM 504 CA PRO A 156 -9.662 1.303 -5.700 1.00 0.00 C ATOM 505 C PRO A 156 -9.217 0.206 -4.734 1.00 0.00 C ATOM 506 O PRO A 156 -9.950 -0.152 -3.811 1.00 0.00 O ATOM 507 CB PRO A 156 -10.404 2.441 -5.003 1.00 0.00 C ATOM 508 CG PRO A 156 -11.878 2.098 -5.218 1.00 0.00 C ATOM 509 CD PRO A 156 -11.893 1.401 -6.575 1.00 0.00 C ATOM 0 HA PRO A 156 -8.735 1.664 -6.145 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -10.155 2.491 -3.943 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -10.151 3.409 -5.436 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -12.257 1.448 -4.430 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -12.501 2.992 -5.220 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -12.680 0.648 -6.623 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -12.082 2.111 -7.381 1.00 0.00 H new ATOM 517 N GLN A 157 -8.013 -0.326 -4.948 1.00 0.00 N ATOM 518 CA GLN A 157 -7.446 -1.353 -4.088 1.00 0.00 C ATOM 519 C GLN A 157 -6.995 -0.739 -2.774 1.00 0.00 C ATOM 520 O GLN A 157 -6.751 0.467 -2.702 1.00 0.00 O ATOM 521 CB GLN A 157 -6.222 -1.976 -4.759 1.00 0.00 C ATOM 522 CG GLN A 157 -6.528 -2.456 -6.177 1.00 0.00 C ATOM 523 CD GLN A 157 -7.578 -3.554 -6.200 1.00 0.00 C ATOM 524 OE1 GLN A 157 -7.467 -4.547 -5.488 1.00 0.00 O ATOM 525 NE2 GLN A 157 -8.609 -3.388 -7.017 1.00 0.00 N ATOM 0 H GLN A 157 -7.408 -0.054 -5.723 1.00 0.00 H new ATOM 0 HA GLN A 157 -8.209 -2.111 -3.910 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -5.414 -1.245 -4.790 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -5.869 -2.816 -4.160 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -6.873 -1.614 -6.777 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -5.612 -2.823 -6.640 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -8.671 -2.550 -7.596 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -9.340 -4.098 -7.067 1.00 0.00 H new ATOM 534 N PRO A 158 -6.870 -1.546 -1.716 1.00 0.00 N ATOM 535 CA PRO A 158 -6.299 -1.095 -0.464 1.00 0.00 C ATOM 536 C PRO A 158 -4.792 -1.001 -0.648 1.00 0.00 C ATOM 537 O PRO A 158 -4.138 -1.961 -1.054 1.00 0.00 O ATOM 538 CB PRO A 158 -6.688 -2.156 0.554 1.00 0.00 C ATOM 539 CG PRO A 158 -6.801 -3.434 -0.282 1.00 0.00 C ATOM 540 CD PRO A 158 -7.251 -2.939 -1.659 1.00 0.00 C ATOM 0 HA PRO A 158 -6.651 -0.116 -0.137 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -5.936 -2.255 1.337 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -7.630 -1.914 1.045 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -5.847 -3.959 -0.339 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -7.523 -4.129 0.147 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -6.773 -3.509 -2.456 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -8.327 -3.056 -1.785 1.00 0.00 H new ATOM 548 N LYS A 159 -4.243 0.171 -0.345 1.00 0.00 N ATOM 549 CA LYS A 159 -2.822 0.433 -0.506 1.00 0.00 C ATOM 550 C LYS A 159 -2.045 -0.310 0.572 1.00 0.00 C ATOM 551 O LYS A 159 -1.985 0.116 1.722 1.00 0.00 O ATOM 552 CB LYS A 159 -2.550 1.941 -0.539 1.00 0.00 C ATOM 553 CG LYS A 159 -3.184 2.716 0.614 1.00 0.00 C ATOM 554 CD LYS A 159 -2.772 4.186 0.527 1.00 0.00 C ATOM 555 CE LYS A 159 -1.959 4.543 1.763 1.00 0.00 C ATOM 556 NZ LYS A 159 -2.788 4.488 2.974 1.00 0.00 N ATOM 0 H LYS A 159 -4.772 0.963 0.019 1.00 0.00 H new ATOM 0 HA LYS A 159 -2.473 0.053 -1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -1.473 2.105 -0.523 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -2.920 2.345 -1.481 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -4.270 2.628 0.572 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -2.867 2.294 1.568 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -2.184 4.360 -0.374 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -3.655 4.822 0.460 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -1.120 3.855 1.861 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -1.540 5.543 1.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -2.968 5.454 3.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -3.692 4.024 2.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -2.291 3.948 3.711 1.00 0.00 H new ATOM 570 N LYS A 160 -1.447 -1.440 0.186 1.00 0.00 N ATOM 571 CA LYS A 160 -0.697 -2.304 1.089 1.00 0.00 C ATOM 572 C LYS A 160 0.658 -1.694 1.433 1.00 0.00 C ATOM 573 O LYS A 160 1.151 -0.814 0.728 1.00 0.00 O ATOM 574 CB LYS A 160 -0.460 -3.655 0.410 1.00 0.00 C ATOM 575 CG LYS A 160 -1.767 -4.383 0.108 1.00 0.00 C ATOM 576 CD LYS A 160 -1.602 -5.380 -1.029 1.00 0.00 C ATOM 577 CE LYS A 160 -2.892 -5.366 -1.847 1.00 0.00 C ATOM 578 NZ LYS A 160 -2.789 -6.236 -3.034 1.00 0.00 N ATOM 0 H LYS A 160 -1.473 -1.781 -0.775 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.275 -2.424 2.005 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.092 -3.502 -0.517 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.162 -4.279 1.052 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -2.109 -4.903 1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.537 -3.657 -0.153 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -0.750 -5.111 -1.653 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -1.408 -6.379 -0.637 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -3.723 -5.696 -1.224 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -3.114 -4.346 -2.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -3.682 -6.203 -3.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -2.011 -5.905 -3.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -2.601 -7.214 -2.733 1.00 0.00 H new ATOM 592 N CYS A 161 1.255 -2.182 2.519 1.00 0.00 N ATOM 593 CA CYS A 161 2.629 -1.885 2.889 1.00 0.00 C ATOM 594 C CYS A 161 3.542 -2.226 1.712 1.00 0.00 C ATOM 595 O CYS A 161 3.507 -3.344 1.198 1.00 0.00 O ATOM 596 CB CYS A 161 2.947 -2.706 4.136 1.00 0.00 C ATOM 597 SG CYS A 161 4.705 -2.644 4.546 1.00 0.00 S ATOM 0 H CYS A 161 0.785 -2.806 3.175 1.00 0.00 H new ATOM 0 HA CYS A 161 2.781 -0.830 3.116 1.00 0.00 H new ATOM 0 HB2 CYS A 161 2.364 -2.331 4.977 1.00 0.00 H new ATOM 0 HB3 CYS A 161 2.647 -3.742 3.976 1.00 0.00 H new ATOM 602 N HIS A 162 4.366 -1.269 1.279 1.00 0.00 N ATOM 603 CA HIS A 162 5.311 -1.443 0.183 1.00 0.00 C ATOM 604 C HIS A 162 6.433 -2.410 0.563 1.00 0.00 C ATOM 605 O HIS A 162 7.401 -2.541 -0.183 1.00 0.00 O ATOM 606 CB HIS A 162 5.928 -0.081 -0.167 1.00 0.00 C ATOM 607 CG HIS A 162 5.024 0.831 -0.946 1.00 0.00 C ATOM 608 ND1 HIS A 162 4.036 0.414 -1.842 1.00 0.00 N ATOM 609 CD2 HIS A 162 5.049 2.198 -0.909 1.00 0.00 C ATOM 610 CE1 HIS A 162 3.505 1.547 -2.337 1.00 0.00 C ATOM 611 NE2 HIS A 162 4.101 2.628 -1.802 1.00 0.00 N ATOM 0 H HIS A 162 4.393 -0.336 1.690 1.00 0.00 H new ATOM 0 HA HIS A 162 4.773 -1.856 -0.670 1.00 0.00 H new ATOM 0 HB2 HIS A 162 6.220 0.419 0.756 1.00 0.00 H new ATOM 0 HB3 HIS A 162 6.839 -0.246 -0.742 1.00 0.00 H new ATOM 0 HD2 HIS A 162 5.689 2.817 -0.297 1.00 0.00 H new ATOM 0 HE1 HIS A 162 2.708 1.584 -3.065 1.00 0.00 H new ATOM 0 HE2 HIS A 162 3.885 3.600 -2.023 1.00 0.00 H new ATOM 619 N PHE A 163 6.314 -3.085 1.710 1.00 0.00 N ATOM 620 CA PHE A 163 7.418 -3.836 2.272 1.00 0.00 C ATOM 621 C PHE A 163 7.038 -5.255 2.679 1.00 0.00 C ATOM 622 O PHE A 163 7.866 -6.160 2.599 1.00 0.00 O ATOM 623 CB PHE A 163 7.850 -3.040 3.491 1.00 0.00 C ATOM 624 CG PHE A 163 9.274 -3.234 3.912 1.00 0.00 C ATOM 625 CD1 PHE A 163 9.647 -4.395 4.601 1.00 0.00 C ATOM 626 CD2 PHE A 163 10.218 -2.246 3.616 1.00 0.00 C ATOM 627 CE1 PHE A 163 10.979 -4.562 5.000 1.00 0.00 C ATOM 628 CE2 PHE A 163 11.546 -2.408 4.020 1.00 0.00 C ATOM 629 CZ PHE A 163 11.926 -3.568 4.704 1.00 0.00 C ATOM 0 H PHE A 163 5.457 -3.121 2.262 1.00 0.00 H new ATOM 0 HA PHE A 163 8.208 -3.957 1.531 1.00 0.00 H new ATOM 0 HB2 PHE A 163 7.690 -1.981 3.288 1.00 0.00 H new ATOM 0 HB3 PHE A 163 7.202 -3.306 4.326 1.00 0.00 H new ATOM 0 HD1 PHE A 163 8.913 -5.156 4.823 1.00 0.00 H new ATOM 0 HD2 PHE A 163 9.921 -1.359 3.076 1.00 0.00 H new ATOM 0 HE1 PHE A 163 11.277 -5.452 5.534 1.00 0.00 H new ATOM 0 HE2 PHE A 163 12.276 -1.641 3.805 1.00 0.00 H new ATOM 0 HZ PHE A 163 12.954 -3.700 5.006 1.00 0.00 H new ATOM 639 N CYS A 164 5.787 -5.452 3.113 1.00 0.00 N ATOM 640 CA CYS A 164 5.276 -6.771 3.457 1.00 0.00 C ATOM 641 C CYS A 164 3.874 -7.002 2.890 1.00 0.00 C ATOM 642 O CYS A 164 3.233 -8.009 3.187 1.00 0.00 O ATOM 643 CB CYS A 164 5.263 -6.871 4.973 1.00 0.00 C ATOM 644 SG CYS A 164 3.982 -5.766 5.593 1.00 0.00 S ATOM 0 H CYS A 164 5.108 -4.700 3.233 1.00 0.00 H new ATOM 0 HA CYS A 164 5.915 -7.539 3.022 1.00 0.00 H new ATOM 0 HB2 CYS A 164 5.066 -7.896 5.286 1.00 0.00 H new ATOM 0 HB3 CYS A 164 6.235 -6.595 5.381 1.00 0.00 H new ATOM 649 N GLN A 165 3.408 -6.054 2.073 1.00 0.00 N ATOM 650 CA GLN A 165 2.074 -6.035 1.477 1.00 0.00 C ATOM 651 C GLN A 165 0.950 -6.203 2.511 1.00 0.00 C ATOM 652 O GLN A 165 -0.122 -6.704 2.174 1.00 0.00 O ATOM 653 CB GLN A 165 1.960 -7.018 0.305 1.00 0.00 C ATOM 654 CG GLN A 165 2.565 -6.432 -0.973 1.00 0.00 C ATOM 655 CD GLN A 165 4.082 -6.345 -0.939 1.00 0.00 C ATOM 656 OE1 GLN A 165 4.770 -7.263 -1.377 1.00 0.00 O ATOM 657 NE2 GLN A 165 4.628 -5.247 -0.428 1.00 0.00 N ATOM 0 H GLN A 165 3.972 -5.249 1.800 1.00 0.00 H new ATOM 0 HA GLN A 165 1.934 -5.037 1.063 1.00 0.00 H new ATOM 0 HB2 GLN A 165 2.469 -7.948 0.557 1.00 0.00 H new ATOM 0 HB3 GLN A 165 0.912 -7.264 0.134 1.00 0.00 H new ATOM 0 HG2 GLN A 165 2.263 -7.044 -1.823 1.00 0.00 H new ATOM 0 HG3 GLN A 165 2.155 -5.435 -1.136 1.00 0.00 H new ATOM 0 HE21 GLN A 165 4.032 -4.500 -0.071 1.00 0.00 H new ATOM 0 HE22 GLN A 165 5.643 -5.151 -0.393 1.00 0.00 H new ATOM 666 N SER A 166 1.179 -5.788 3.756 1.00 0.00 N ATOM 667 CA SER A 166 0.133 -5.783 4.767 1.00 0.00 C ATOM 668 C SER A 166 -0.633 -4.465 4.723 1.00 0.00 C ATOM 669 O SER A 166 -0.059 -3.411 4.973 1.00 0.00 O ATOM 670 CB SER A 166 0.774 -5.956 6.139 1.00 0.00 C ATOM 671 OG SER A 166 1.422 -7.206 6.214 1.00 0.00 O ATOM 0 H SER A 166 2.084 -5.451 4.085 1.00 0.00 H new ATOM 0 HA SER A 166 -0.563 -6.599 4.574 1.00 0.00 H new ATOM 0 HB2 SER A 166 1.490 -5.154 6.319 1.00 0.00 H new ATOM 0 HB3 SER A 166 0.014 -5.884 6.917 1.00 0.00 H new ATOM 0 HG SER A 166 2.379 -7.089 6.041 1.00 0.00 H new ATOM 677 N ILE A 167 -1.930 -4.518 4.410 1.00 0.00 N ATOM 678 CA ILE A 167 -2.810 -3.349 4.449 1.00 0.00 C ATOM 679 C ILE A 167 -3.049 -2.858 5.874 1.00 0.00 C ATOM 680 O ILE A 167 -3.461 -1.717 6.082 1.00 0.00 O ATOM 681 CB ILE A 167 -4.167 -3.682 3.837 1.00 0.00 C ATOM 682 CG1 ILE A 167 -4.836 -4.825 4.612 1.00 0.00 C ATOM 683 CG2 ILE A 167 -3.986 -4.049 2.371 1.00 0.00 C ATOM 684 CD1 ILE A 167 -5.901 -5.526 3.776 1.00 0.00 C ATOM 0 H ILE A 167 -2.400 -5.376 4.122 1.00 0.00 H new ATOM 0 HA ILE A 167 -2.309 -2.566 3.879 1.00 0.00 H new ATOM 0 HB ILE A 167 -4.817 -2.810 3.902 1.00 0.00 H new ATOM 0 HG12 ILE A 167 -4.080 -5.548 4.919 1.00 0.00 H new ATOM 0 HG13 ILE A 167 -5.289 -4.431 5.522 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -4.955 -4.287 1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -3.544 -3.208 1.837 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -3.329 -4.915 2.291 1.00 0.00 H new ATOM 0 HD11 ILE A 167 -6.351 -6.329 4.360 1.00 0.00 H new ATOM 0 HD12 ILE A 167 -6.671 -4.809 3.491 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -5.443 -5.942 2.879 1.00 0.00 H new ATOM 696 N SER A 168 -2.795 -3.732 6.846 1.00 0.00 N ATOM 697 CA SER A 168 -2.890 -3.422 8.265 1.00 0.00 C ATOM 698 C SER A 168 -2.144 -2.128 8.577 1.00 0.00 C ATOM 699 O SER A 168 -2.671 -1.245 9.251 1.00 0.00 O ATOM 700 CB SER A 168 -2.405 -4.608 9.086 1.00 0.00 C ATOM 701 OG SER A 168 -1.040 -4.868 8.831 1.00 0.00 O ATOM 0 H SER A 168 -2.512 -4.694 6.662 1.00 0.00 H new ATOM 0 HA SER A 168 -3.931 -3.250 8.540 1.00 0.00 H new ATOM 0 HB2 SER A 168 -2.549 -4.405 10.147 1.00 0.00 H new ATOM 0 HB3 SER A 168 -2.999 -5.490 8.846 1.00 0.00 H new ATOM 0 HG SER A 168 -0.747 -5.633 9.369 1.00 0.00 H new ATOM 707 N HIS A 169 -0.907 -2.029 8.083 1.00 0.00 N ATOM 708 CA HIS A 169 -0.034 -0.884 8.289 1.00 0.00 C ATOM 709 C HIS A 169 0.511 -0.404 6.948 1.00 0.00 C ATOM 710 O HIS A 169 -0.007 -0.756 5.891 1.00 0.00 O ATOM 711 CB HIS A 169 1.106 -1.252 9.245 1.00 0.00 C ATOM 712 CG HIS A 169 1.921 -2.433 8.788 1.00 0.00 C ATOM 713 ND1 HIS A 169 1.821 -3.723 9.260 1.00 0.00 N ATOM 714 CD2 HIS A 169 2.905 -2.436 7.837 1.00 0.00 C ATOM 715 CE1 HIS A 169 2.727 -4.474 8.613 1.00 0.00 C ATOM 716 NE2 HIS A 169 3.424 -3.731 7.735 1.00 0.00 N ATOM 0 H HIS A 169 -0.481 -2.762 7.517 1.00 0.00 H new ATOM 0 HA HIS A 169 -0.604 -0.073 8.741 1.00 0.00 H new ATOM 0 HB2 HIS A 169 1.764 -0.391 9.361 1.00 0.00 H new ATOM 0 HB3 HIS A 169 0.688 -1.468 10.228 1.00 0.00 H new ATOM 0 HD1 HIS A 169 1.172 -4.051 9.976 1.00 0.00 H new ATOM 0 HD2 HIS A 169 3.227 -1.581 7.261 1.00 0.00 H new ATOM 0 HE1 HIS A 169 2.876 -5.531 8.776 1.00 0.00 H new ATOM 724 N MET A 170 1.563 0.411 6.996 1.00 0.00 N ATOM 725 CA MET A 170 2.224 0.943 5.827 1.00 0.00 C ATOM 726 C MET A 170 3.711 0.674 5.972 1.00 0.00 C ATOM 727 O MET A 170 4.180 0.402 7.076 1.00 0.00 O ATOM 728 CB MET A 170 1.984 2.454 5.778 1.00 0.00 C ATOM 729 CG MET A 170 0.510 2.838 5.640 1.00 0.00 C ATOM 730 SD MET A 170 -0.045 3.152 3.948 1.00 0.00 S ATOM 731 CE MET A 170 0.193 1.516 3.212 1.00 0.00 C ATOM 0 H MET A 170 1.982 0.721 7.873 1.00 0.00 H new ATOM 0 HA MET A 170 1.843 0.482 4.916 1.00 0.00 H new ATOM 0 HB2 MET A 170 2.385 2.906 6.685 1.00 0.00 H new ATOM 0 HB3 MET A 170 2.540 2.874 4.940 1.00 0.00 H new ATOM 0 HG2 MET A 170 -0.099 2.039 6.063 1.00 0.00 H new ATOM 0 HG3 MET A 170 0.325 3.730 6.238 1.00 0.00 H new ATOM 0 HE1 MET A 170 -0.088 1.546 2.159 1.00 0.00 H new ATOM 0 HE2 MET A 170 1.240 1.226 3.300 1.00 0.00 H new ATOM 0 HE3 MET A 170 -0.429 0.789 3.733 1.00 0.00 H new ATOM 741 N VAL A 171 4.471 0.752 4.884 1.00 0.00 N ATOM 742 CA VAL A 171 5.916 0.643 4.971 1.00 0.00 C ATOM 743 C VAL A 171 6.438 1.705 5.917 1.00 0.00 C ATOM 744 O VAL A 171 7.536 1.594 6.460 1.00 0.00 O ATOM 745 CB VAL A 171 6.544 0.838 3.594 1.00 0.00 C ATOM 746 CG1 VAL A 171 6.459 2.303 3.193 1.00 0.00 C ATOM 747 CG2 VAL A 171 8.014 0.465 3.600 1.00 0.00 C ATOM 0 H VAL A 171 4.110 0.889 3.940 1.00 0.00 H new ATOM 0 HA VAL A 171 6.178 -0.348 5.341 1.00 0.00 H new ATOM 0 HB VAL A 171 6.000 0.200 2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 171 6.909 2.438 2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 171 5.414 2.611 3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 171 6.993 2.912 3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 171 8.432 0.615 2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 171 8.546 1.093 4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 171 8.123 -0.581 3.885 1.00 0.00 H new ATOM 757 N ALA A 172 5.632 2.748 6.117 1.00 0.00 N ATOM 758 CA ALA A 172 5.970 3.827 7.008 1.00 0.00 C ATOM 759 C ALA A 172 6.054 3.349 8.452 1.00 0.00 C ATOM 760 O ALA A 172 6.533 4.068 9.326 1.00 0.00 O ATOM 761 CB ALA A 172 4.910 4.911 6.874 1.00 0.00 C ATOM 0 H ALA A 172 4.727 2.856 5.659 1.00 0.00 H new ATOM 0 HA ALA A 172 6.950 4.220 6.738 1.00 0.00 H new ATOM 0 HB1 ALA A 172 5.149 5.738 7.542 1.00 0.00 H new ATOM 0 HB2 ALA A 172 4.886 5.271 5.845 1.00 0.00 H new ATOM 0 HB3 ALA A 172 3.935 4.501 7.138 1.00 0.00 H new ATOM 767 N SER A 173 5.583 2.124 8.683 1.00 0.00 N ATOM 768 CA SER A 173 5.544 1.514 9.998 1.00 0.00 C ATOM 769 C SER A 173 5.796 0.012 9.928 1.00 0.00 C ATOM 770 O SER A 173 5.526 -0.697 10.891 1.00 0.00 O ATOM 771 CB SER A 173 4.174 1.768 10.614 1.00 0.00 C ATOM 772 OG SER A 173 4.276 1.787 12.021 1.00 0.00 O ATOM 0 H SER A 173 5.214 1.524 7.946 1.00 0.00 H new ATOM 0 HA SER A 173 6.331 1.957 10.608 1.00 0.00 H new ATOM 0 HB2 SER A 173 3.775 2.718 10.257 1.00 0.00 H new ATOM 0 HB3 SER A 173 3.476 0.992 10.302 1.00 0.00 H new ATOM 0 HG SER A 173 4.707 0.962 12.329 1.00 0.00 H new ATOM 778 N CYS A 174 6.305 -0.479 8.792 1.00 0.00 N ATOM 779 CA CYS A 174 6.481 -1.919 8.626 1.00 0.00 C ATOM 780 C CYS A 174 7.248 -2.499 9.816 1.00 0.00 C ATOM 781 O CYS A 174 8.292 -1.966 10.203 1.00 0.00 O ATOM 782 CB CYS A 174 7.173 -2.250 7.311 1.00 0.00 C ATOM 783 SG CYS A 174 6.906 -4.001 6.935 1.00 0.00 S ATOM 0 H CYS A 174 6.595 0.087 7.994 1.00 0.00 H new ATOM 0 HA CYS A 174 5.494 -2.380 8.593 1.00 0.00 H new ATOM 0 HB2 CYS A 174 6.777 -1.627 6.509 1.00 0.00 H new ATOM 0 HB3 CYS A 174 8.240 -2.038 7.382 1.00 0.00 H new ATOM 788 N PRO A 175 6.760 -3.591 10.414 1.00 0.00 N ATOM 789 CA PRO A 175 7.414 -4.234 11.535 1.00 0.00 C ATOM 790 C PRO A 175 8.668 -4.962 11.079 1.00 0.00 C ATOM 791 O PRO A 175 9.492 -5.342 11.906 1.00 0.00 O ATOM 792 CB PRO A 175 6.389 -5.231 12.065 1.00 0.00 C ATOM 793 CG PRO A 175 5.593 -5.603 10.823 1.00 0.00 C ATOM 794 CD PRO A 175 5.541 -4.291 10.057 1.00 0.00 C ATOM 0 HA PRO A 175 7.726 -3.515 12.293 1.00 0.00 H new ATOM 0 HB2 PRO A 175 6.868 -6.102 12.512 1.00 0.00 H new ATOM 0 HB3 PRO A 175 5.755 -4.787 12.832 1.00 0.00 H new ATOM 0 HG2 PRO A 175 6.083 -6.389 10.248 1.00 0.00 H new ATOM 0 HG3 PRO A 175 4.596 -5.966 11.074 1.00 0.00 H new ATOM 0 HD2 PRO A 175 5.488 -4.465 8.982 1.00 0.00 H new ATOM 0 HD3 PRO A 175 4.660 -3.711 10.330 1.00 0.00 H new ATOM 802 N LEU A 176 8.817 -5.163 9.763 1.00 0.00 N ATOM 803 CA LEU A 176 9.972 -5.847 9.213 1.00 0.00 C ATOM 804 C LEU A 176 11.133 -4.885 9.056 1.00 0.00 C ATOM 805 O LEU A 176 12.221 -5.140 9.560 1.00 0.00 O ATOM 806 CB LEU A 176 9.623 -6.427 7.849 1.00 0.00 C ATOM 807 CG LEU A 176 8.372 -7.303 7.906 1.00 0.00 C ATOM 808 CD1 LEU A 176 8.154 -7.927 6.535 1.00 0.00 C ATOM 809 CD2 LEU A 176 8.544 -8.399 8.952 1.00 0.00 C ATOM 0 H LEU A 176 8.141 -4.855 9.063 1.00 0.00 H new ATOM 0 HA LEU A 176 10.258 -6.646 9.897 1.00 0.00 H new ATOM 0 HB2 LEU A 176 9.466 -5.615 7.139 1.00 0.00 H new ATOM 0 HB3 LEU A 176 10.462 -7.016 7.479 1.00 0.00 H new ATOM 0 HG LEU A 176 7.510 -6.695 8.182 1.00 0.00 H new ATOM 0 HD11 LEU A 176 7.264 -8.556 6.559 1.00 0.00 H new ATOM 0 HD12 LEU A 176 8.022 -7.139 5.793 1.00 0.00 H new ATOM 0 HD13 LEU A 176 9.020 -8.534 6.269 1.00 0.00 H new ATOM 0 HD21 LEU A 176 7.646 -9.016 8.983 1.00 0.00 H new ATOM 0 HD22 LEU A 176 9.402 -9.019 8.692 1.00 0.00 H new ATOM 0 HD23 LEU A 176 8.707 -7.946 9.930 1.00 0.00 H new ATOM 821 N LYS A 177 10.919 -3.769 8.357 1.00 0.00 N ATOM 822 CA LYS A 177 11.988 -2.831 8.061 1.00 0.00 C ATOM 823 C LYS A 177 12.703 -2.372 9.324 1.00 0.00 C ATOM 824 O LYS A 177 13.802 -1.839 9.248 1.00 0.00 O ATOM 825 CB LYS A 177 11.435 -1.638 7.294 1.00 0.00 C ATOM 826 CG LYS A 177 10.665 -0.744 8.249 1.00 0.00 C ATOM 827 CD LYS A 177 10.110 0.467 7.500 1.00 0.00 C ATOM 828 CE LYS A 177 11.192 1.506 7.225 1.00 0.00 C ATOM 829 NZ LYS A 177 11.529 2.258 8.445 1.00 0.00 N ATOM 0 H LYS A 177 10.008 -3.497 7.986 1.00 0.00 H new ATOM 0 HA LYS A 177 12.724 -3.345 7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 177 12.248 -1.080 6.830 1.00 0.00 H new ATOM 0 HB3 LYS A 177 10.783 -1.978 6.490 1.00 0.00 H new ATOM 0 HG2 LYS A 177 9.849 -1.304 8.706 1.00 0.00 H new ATOM 0 HG3 LYS A 177 11.318 -0.414 9.057 1.00 0.00 H new ATOM 0 HD2 LYS A 177 9.670 0.141 6.557 1.00 0.00 H new ATOM 0 HD3 LYS A 177 9.310 0.921 8.085 1.00 0.00 H new ATOM 0 HE2 LYS A 177 12.085 1.013 6.840 1.00 0.00 H new ATOM 0 HE3 LYS A 177 10.851 2.195 6.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 12.267 2.958 8.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 10.681 2.747 8.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 11.877 1.601 9.173 1.00 0.00 H new ATOM 843 N ALA A 178 12.077 -2.584 10.486 1.00 0.00 N ATOM 844 CA ALA A 178 12.638 -2.191 11.763 1.00 0.00 C ATOM 845 C ALA A 178 13.996 -2.836 12.003 1.00 0.00 C ATOM 846 O ALA A 178 14.762 -2.373 12.844 1.00 0.00 O ATOM 847 CB ALA A 178 11.666 -2.583 12.868 1.00 0.00 C ATOM 0 H ALA A 178 11.165 -3.035 10.557 1.00 0.00 H new ATOM 0 HA ALA A 178 12.789 -1.112 11.761 1.00 0.00 H new ATOM 0 HB1 ALA A 178 12.077 -2.292 13.835 1.00 0.00 H new ATOM 0 HB2 ALA A 178 10.714 -2.076 12.712 1.00 0.00 H new ATOM 0 HB3 ALA A 178 11.510 -3.662 12.850 1.00 0.00 H new ATOM 853 N GLN A 179 14.298 -3.906 11.259 1.00 0.00 N ATOM 854 CA GLN A 179 15.573 -4.594 11.344 1.00 0.00 C ATOM 855 C GLN A 179 16.056 -5.017 9.956 1.00 0.00 C ATOM 856 O GLN A 179 16.948 -5.857 9.842 1.00 0.00 O ATOM 857 CB GLN A 179 15.459 -5.782 12.302 1.00 0.00 C ATOM 858 CG GLN A 179 14.318 -6.727 11.912 1.00 0.00 C ATOM 859 CD GLN A 179 12.976 -6.313 12.508 1.00 0.00 C ATOM 860 OE1 GLN A 179 12.915 -5.638 13.532 1.00 0.00 O ATOM 861 NE2 GLN A 179 11.886 -6.713 11.864 1.00 0.00 N ATOM 0 H GLN A 179 13.655 -4.314 10.580 1.00 0.00 H new ATOM 0 HA GLN A 179 16.323 -3.912 11.745 1.00 0.00 H new ATOM 0 HB2 GLN A 179 16.399 -6.333 12.310 1.00 0.00 H new ATOM 0 HB3 GLN A 179 15.296 -5.416 13.316 1.00 0.00 H new ATOM 0 HG2 GLN A 179 14.234 -6.758 10.826 1.00 0.00 H new ATOM 0 HG3 GLN A 179 14.560 -7.737 12.242 1.00 0.00 H new ATOM 0 HE21 GLN A 179 11.971 -7.273 11.016 1.00 0.00 H new ATOM 0 HE22 GLN A 179 10.963 -6.460 12.218 1.00 0.00 H new ATOM 870 N GLN A 180 15.465 -4.433 8.907 1.00 0.00 N ATOM 871 CA GLN A 180 15.822 -4.730 7.523 1.00 0.00 C ATOM 872 C GLN A 180 16.168 -3.448 6.766 1.00 0.00 C ATOM 873 O GLN A 180 16.757 -3.505 5.689 1.00 0.00 O ATOM 874 CB GLN A 180 14.641 -5.404 6.818 1.00 0.00 C ATOM 875 CG GLN A 180 13.969 -6.502 7.636 1.00 0.00 C ATOM 876 CD GLN A 180 14.742 -7.809 7.589 1.00 0.00 C ATOM 877 OE1 GLN A 180 15.505 -8.129 8.497 1.00 0.00 O ATOM 878 NE2 GLN A 180 14.552 -8.583 6.530 1.00 0.00 N ATOM 0 H GLN A 180 14.723 -3.739 8.999 1.00 0.00 H new ATOM 0 HA GLN A 180 16.689 -5.391 7.531 1.00 0.00 H new ATOM 0 HB2 GLN A 180 13.899 -4.645 6.570 1.00 0.00 H new ATOM 0 HB3 GLN A 180 14.989 -5.829 5.876 1.00 0.00 H new ATOM 0 HG2 GLN A 180 13.875 -6.175 8.671 1.00 0.00 H new ATOM 0 HG3 GLN A 180 12.959 -6.666 7.260 1.00 0.00 H new ATOM 0 HE21 GLN A 180 13.912 -8.290 5.792 1.00 0.00 H new ATOM 0 HE22 GLN A 180 15.046 -9.472 6.453 1.00 0.00 H new ATOM 887 N GLY A 181 15.794 -2.299 7.330 1.00 0.00 N ATOM 888 CA GLY A 181 16.057 -0.998 6.746 1.00 0.00 C ATOM 889 C GLY A 181 15.293 0.075 7.510 1.00 0.00 C ATOM 890 O GLY A 181 14.268 0.551 7.026 1.00 0.00 O ATOM 0 H GLY A 181 15.293 -2.253 8.218 1.00 0.00 H new ATOM 0 HA2 GLY A 181 17.126 -0.786 6.774 1.00 0.00 H new ATOM 0 HA3 GLY A 181 15.759 -0.993 5.698 1.00 0.00 H new ATOM 894 N PRO A 182 15.779 0.452 8.707 1.00 0.00 N ATOM 895 CA PRO A 182 15.153 1.441 9.577 1.00 0.00 C ATOM 896 C PRO A 182 14.807 2.743 8.853 1.00 0.00 C ATOM 897 O PRO A 182 13.987 3.517 9.342 1.00 0.00 O ATOM 898 CB PRO A 182 16.157 1.681 10.703 1.00 0.00 C ATOM 899 CG PRO A 182 16.938 0.374 10.769 1.00 0.00 C ATOM 900 CD PRO A 182 16.983 -0.076 9.311 1.00 0.00 C ATOM 0 HA PRO A 182 14.196 1.074 9.947 1.00 0.00 H new ATOM 0 HB2 PRO A 182 16.809 2.527 10.486 1.00 0.00 H new ATOM 0 HB3 PRO A 182 15.657 1.898 11.647 1.00 0.00 H new ATOM 0 HG2 PRO A 182 17.938 0.522 11.176 1.00 0.00 H new ATOM 0 HG3 PRO A 182 16.441 -0.361 11.403 1.00 0.00 H new ATOM 0 HD2 PRO A 182 17.873 0.305 8.810 1.00 0.00 H new ATOM 0 HD3 PRO A 182 17.016 -1.163 9.236 1.00 0.00 H new ATOM 908 N SER A 183 15.419 2.980 7.690 1.00 0.00 N ATOM 909 CA SER A 183 15.119 4.110 6.829 1.00 0.00 C ATOM 910 C SER A 183 15.450 3.728 5.389 1.00 0.00 C ATOM 911 O SER A 183 16.144 2.739 5.161 1.00 0.00 O ATOM 912 CB SER A 183 15.931 5.327 7.270 1.00 0.00 C ATOM 913 OG SER A 183 15.545 6.450 6.509 1.00 0.00 O ATOM 0 H SER A 183 16.151 2.375 7.319 1.00 0.00 H new ATOM 0 HA SER A 183 14.062 4.367 6.898 1.00 0.00 H new ATOM 0 HB2 SER A 183 15.770 5.520 8.331 1.00 0.00 H new ATOM 0 HB3 SER A 183 16.996 5.134 7.139 1.00 0.00 H new ATOM 0 HG SER A 183 16.064 7.231 6.792 1.00 0.00 H new ATOM 919 N ALA A 184 14.955 4.502 4.420 1.00 0.00 N ATOM 920 CA ALA A 184 15.196 4.236 3.011 1.00 0.00 C ATOM 921 C ALA A 184 15.274 5.532 2.200 1.00 0.00 C ATOM 922 O ALA A 184 15.494 5.487 0.990 1.00 0.00 O ATOM 923 CB ALA A 184 14.073 3.337 2.493 1.00 0.00 C ATOM 0 H ALA A 184 14.379 5.326 4.595 1.00 0.00 H new ATOM 0 HA ALA A 184 16.158 3.736 2.897 1.00 0.00 H new ATOM 0 HB1 ALA A 184 14.235 3.125 1.436 1.00 0.00 H new ATOM 0 HB2 ALA A 184 14.067 2.402 3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 184 13.115 3.842 2.619 1.00 0.00 H new ATOM 929 N GLN A 185 15.100 6.682 2.855 1.00 0.00 N ATOM 930 CA GLN A 185 15.191 7.979 2.200 1.00 0.00 C ATOM 931 C GLN A 185 16.644 8.262 1.820 1.00 0.00 C ATOM 932 O GLN A 185 17.562 7.731 2.441 1.00 0.00 O ATOM 933 CB GLN A 185 14.639 9.044 3.156 1.00 0.00 C ATOM 934 CG GLN A 185 14.529 10.419 2.494 1.00 0.00 C ATOM 935 CD GLN A 185 13.821 11.421 3.396 1.00 0.00 C ATOM 936 OE1 GLN A 185 13.223 11.062 4.409 1.00 0.00 O ATOM 937 NE2 GLN A 185 13.874 12.698 3.039 1.00 0.00 N ATOM 0 H GLN A 185 14.893 6.735 3.852 1.00 0.00 H new ATOM 0 HA GLN A 185 14.603 7.992 1.282 1.00 0.00 H new ATOM 0 HB2 GLN A 185 13.656 8.735 3.512 1.00 0.00 H new ATOM 0 HB3 GLN A 185 15.287 9.115 4.030 1.00 0.00 H new ATOM 0 HG2 GLN A 185 15.526 10.788 2.252 1.00 0.00 H new ATOM 0 HG3 GLN A 185 13.986 10.328 1.553 1.00 0.00 H new ATOM 0 HE21 GLN A 185 14.376 12.971 2.194 1.00 0.00 H new ATOM 0 HE22 GLN A 185 13.412 13.407 3.609 1.00 0.00 H new ATOM 946 N GLY A 186 16.849 9.097 0.798 1.00 0.00 N ATOM 947 CA GLY A 186 18.182 9.442 0.319 1.00 0.00 C ATOM 948 C GLY A 186 18.095 10.426 -0.838 1.00 0.00 C ATOM 949 O GLY A 186 18.843 10.223 -1.816 1.00 0.00 O ATOM 950 OXT GLY A 186 17.282 11.367 -0.732 1.00 0.00 O ATOM 0 H GLY A 186 16.094 9.550 0.283 1.00 0.00 H new ATOM 0 HA2 GLY A 186 18.765 9.877 1.131 1.00 0.00 H new ATOM 0 HA3 GLY A 186 18.704 8.540 -0.001 1.00 0.00 H new TER 954 GLY A 186 ATOM 955 O5' A B 1 9.076 7.435 7.415 1.00 0.00 O ATOM 956 C5' A B 1 9.501 6.814 6.224 1.00 0.00 C ATOM 957 C4' A B 1 8.722 7.372 5.032 1.00 0.00 C ATOM 958 O4' A B 1 9.327 6.896 3.834 1.00 0.00 O ATOM 959 C3' A B 1 7.275 6.865 5.059 1.00 0.00 C ATOM 960 O3' A B 1 6.424 7.792 4.403 1.00 0.00 O ATOM 961 C2' A B 1 7.403 5.621 4.202 1.00 0.00 C ATOM 962 O2' A B 1 6.183 5.246 3.619 1.00 0.00 O ATOM 963 C1' A B 1 8.332 6.169 3.147 1.00 0.00 C ATOM 964 N9 A B 1 8.805 5.124 2.216 1.00 0.00 N ATOM 965 C8 A B 1 8.454 5.011 0.895 1.00 0.00 C ATOM 966 N7 A B 1 8.973 3.976 0.293 1.00 0.00 N ATOM 967 C5 A B 1 9.687 3.333 1.297 1.00 0.00 C ATOM 968 C6 A B 1 10.443 2.144 1.327 1.00 0.00 C ATOM 969 N6 A B 1 10.643 1.371 0.257 1.00 0.00 N ATOM 970 N1 A B 1 10.987 1.765 2.486 1.00 0.00 N ATOM 971 C2 A B 1 10.797 2.513 3.561 1.00 0.00 C ATOM 972 N3 A B 1 10.118 3.648 3.679 1.00 0.00 N ATOM 973 C4 A B 1 9.574 4.009 2.484 1.00 0.00 C ATOM 0 H5' A B 1 9.352 5.737 6.293 1.00 0.00 H new ATOM 0 H5'' A B 1 10.569 6.979 6.080 1.00 0.00 H new ATOM 0 H4' A B 1 8.732 8.461 5.079 1.00 0.00 H new ATOM 0 H3' A B 1 6.866 6.709 6.057 1.00 0.00 H new ATOM 0 H2' A B 1 7.732 4.730 4.736 1.00 0.00 H new ATOM 0 HO2' A B 1 5.599 6.030 3.550 1.00 0.00 H new ATOM 0 HO5' A B 1 9.580 7.070 8.172 1.00 0.00 H new ATOM 0 H1' A B 1 7.828 6.852 2.463 1.00 0.00 H new ATOM 0 H8 A B 1 7.805 5.716 0.397 1.00 0.00 H new ATOM 0 H61 A B 1 11.200 0.521 0.339 1.00 0.00 H new ATOM 0 H62 A B 1 10.239 1.631 -0.643 1.00 0.00 H new ATOM 0 H2 A B 1 11.258 2.150 4.468 1.00 0.00 H new ATOM 986 P G B 2 5.381 8.712 5.203 1.00 0.00 P ATOM 987 OP1 G B 2 5.767 10.129 4.988 1.00 0.00 O ATOM 988 OP2 G B 2 5.250 8.201 6.582 1.00 0.00 O ATOM 989 O5' G B 2 3.989 8.445 4.433 1.00 0.00 O ATOM 990 C5' G B 2 3.510 9.350 3.456 1.00 0.00 C ATOM 991 C4' G B 2 2.269 8.813 2.734 1.00 0.00 C ATOM 992 O4' G B 2 2.614 7.843 1.763 1.00 0.00 O ATOM 993 C3' G B 2 1.247 8.183 3.686 1.00 0.00 C ATOM 994 O3' G B 2 0.244 9.040 4.205 1.00 0.00 O ATOM 995 C2' G B 2 0.632 7.065 2.850 1.00 0.00 C ATOM 996 O2' G B 2 -0.547 7.469 2.188 1.00 0.00 O ATOM 997 C1' G B 2 1.699 6.760 1.804 1.00 0.00 C ATOM 998 N9 G B 2 2.436 5.534 2.159 1.00 0.00 N ATOM 999 C8 G B 2 3.394 5.338 3.125 1.00 0.00 C ATOM 1000 N7 G B 2 3.747 4.094 3.247 1.00 0.00 N ATOM 1001 C5 G B 2 3.056 3.435 2.238 1.00 0.00 C ATOM 1002 C6 G B 2 3.118 2.074 1.836 1.00 0.00 C ATOM 1003 O6 G B 2 3.765 1.160 2.330 1.00 0.00 O ATOM 1004 N1 G B 2 2.318 1.811 0.743 1.00 0.00 N ATOM 1005 C2 G B 2 1.558 2.756 0.093 1.00 0.00 C ATOM 1006 N2 G B 2 0.869 2.346 -0.967 1.00 0.00 N ATOM 1007 N3 G B 2 1.487 4.044 0.468 1.00 0.00 N ATOM 1008 C4 G B 2 2.269 4.314 1.545 1.00 0.00 C ATOM 0 H5' G B 2 4.297 9.546 2.727 1.00 0.00 H new ATOM 0 H5'' G B 2 3.270 10.302 3.930 1.00 0.00 H new ATOM 0 H4' G B 2 1.818 9.684 2.260 1.00 0.00 H new ATOM 0 H3' G B 2 1.751 7.862 4.598 1.00 0.00 H new ATOM 0 H2' G B 2 0.356 6.218 3.478 1.00 0.00 H new ATOM 0 HO2' G B 2 -0.403 8.342 1.768 1.00 0.00 H new ATOM 0 H1' G B 2 1.219 6.618 0.836 1.00 0.00 H new ATOM 0 H8 G B 2 3.810 6.136 3.721 1.00 0.00 H new ATOM 0 H1 G B 2 2.288 0.853 0.394 1.00 0.00 H new ATOM 0 H21 G B 2 0.289 3.006 -1.485 1.00 0.00 H new ATOM 0 H22 G B 2 0.920 1.371 -1.262 1.00 0.00 H new ATOM 1020 P G B 3 -0.216 10.418 3.498 1.00 0.00 P ATOM 1021 OP1 G B 3 0.924 11.360 3.539 1.00 0.00 O ATOM 1022 OP2 G B 3 -1.507 10.810 4.096 1.00 0.00 O ATOM 1023 O5' G B 3 -0.480 10.005 1.968 1.00 0.00 O ATOM 1024 C5' G B 3 -1.256 10.814 1.108 1.00 0.00 C ATOM 1025 C4' G B 3 -1.381 10.121 -0.245 1.00 0.00 C ATOM 1026 O4' G B 3 -2.054 8.883 -0.071 1.00 0.00 O ATOM 1027 C3' G B 3 -2.203 10.957 -1.235 1.00 0.00 C ATOM 1028 O3' G B 3 -1.555 11.044 -2.489 1.00 0.00 O ATOM 1029 C2' G B 3 -3.468 10.130 -1.424 1.00 0.00 C ATOM 1030 O2' G B 3 -3.977 10.272 -2.734 1.00 0.00 O ATOM 1031 C1' G B 3 -2.963 8.725 -1.140 1.00 0.00 C ATOM 1032 N9 G B 3 -4.088 7.835 -0.789 1.00 0.00 N ATOM 1033 C8 G B 3 -4.467 6.679 -1.415 1.00 0.00 C ATOM 1034 N7 G B 3 -5.536 6.124 -0.915 1.00 0.00 N ATOM 1035 C5 G B 3 -5.892 6.975 0.129 1.00 0.00 C ATOM 1036 C6 G B 3 -6.983 6.896 1.045 1.00 0.00 C ATOM 1037 O6 G B 3 -7.865 6.041 1.107 1.00 0.00 O ATOM 1038 N1 G B 3 -6.988 7.944 1.952 1.00 0.00 N ATOM 1039 C2 G B 3 -6.051 8.943 1.986 1.00 0.00 C ATOM 1040 N2 G B 3 -6.195 9.862 2.936 1.00 0.00 N ATOM 1041 N3 G B 3 -5.024 9.033 1.132 1.00 0.00 N ATOM 1042 C4 G B 3 -5.004 8.019 0.223 1.00 0.00 C ATOM 0 H5' G B 3 -0.790 11.792 0.989 1.00 0.00 H new ATOM 0 H5'' G B 3 -2.243 10.982 1.538 1.00 0.00 H new ATOM 0 H4' G B 3 -0.375 9.983 -0.640 1.00 0.00 H new ATOM 0 H3' G B 3 -2.365 11.972 -0.873 1.00 0.00 H new ATOM 0 H2' G B 3 -4.301 10.422 -0.784 1.00 0.00 H new ATOM 0 HO2' G B 3 -3.290 10.666 -3.311 1.00 0.00 H new ATOM 0 H1' G B 3 -2.482 8.262 -2.002 1.00 0.00 H new ATOM 0 H8 G B 3 -3.927 6.262 -2.252 1.00 0.00 H new ATOM 0 H1 G B 3 -7.740 7.974 2.641 1.00 0.00 H new ATOM 0 H21 G B 3 -5.527 10.629 3.009 1.00 0.00 H new ATOM 0 H22 G B 3 -6.974 9.800 3.592 1.00 0.00 H new ATOM 1054 P A B 4 -0.348 12.064 -2.738 1.00 0.00 P ATOM 1055 OP1 A B 4 0.891 11.445 -2.225 1.00 0.00 O ATOM 1056 OP2 A B 4 -0.765 13.400 -2.249 1.00 0.00 O ATOM 1057 O5' A B 4 -0.279 12.116 -4.341 1.00 0.00 O ATOM 1058 C5' A B 4 -1.147 12.960 -5.068 1.00 0.00 C ATOM 1059 C4' A B 4 -1.006 12.729 -6.574 1.00 0.00 C ATOM 1060 O4' A B 4 -1.721 11.566 -6.965 1.00 0.00 O ATOM 1061 C3' A B 4 -1.618 13.911 -7.318 1.00 0.00 C ATOM 1062 O3' A B 4 -0.966 14.116 -8.555 1.00 0.00 O ATOM 1063 C2' A B 4 -3.052 13.458 -7.527 1.00 0.00 C ATOM 1064 O2' A B 4 -3.602 13.981 -8.722 1.00 0.00 O ATOM 1065 C1' A B 4 -2.931 11.944 -7.601 1.00 0.00 C ATOM 1066 N9 A B 4 -4.104 11.332 -6.954 1.00 0.00 N ATOM 1067 C8 A B 4 -4.513 11.438 -5.651 1.00 0.00 C ATOM 1068 N7 A B 4 -5.600 10.766 -5.385 1.00 0.00 N ATOM 1069 C5 A B 4 -5.946 10.187 -6.606 1.00 0.00 C ATOM 1070 C6 A B 4 -7.001 9.353 -7.023 1.00 0.00 C ATOM 1071 N6 A B 4 -7.961 8.898 -6.217 1.00 0.00 N ATOM 1072 N1 A B 4 -7.054 8.986 -8.310 1.00 0.00 N ATOM 1073 C2 A B 4 -6.114 9.426 -9.137 1.00 0.00 C ATOM 1074 N3 A B 4 -5.060 10.187 -8.876 1.00 0.00 N ATOM 1075 C4 A B 4 -5.039 10.537 -7.567 1.00 0.00 C ATOM 0 H5' A B 4 -0.927 14.002 -4.834 1.00 0.00 H new ATOM 0 H5'' A B 4 -2.177 12.776 -4.764 1.00 0.00 H new ATOM 0 H4' A B 4 0.052 12.615 -6.809 1.00 0.00 H new ATOM 0 H3' A B 4 -1.535 14.857 -6.783 1.00 0.00 H new ATOM 0 H2' A B 4 -3.718 13.802 -6.736 1.00 0.00 H new ATOM 0 HO2' A B 4 -4.525 13.666 -8.823 1.00 0.00 H new ATOM 0 H1' A B 4 -2.906 11.598 -8.634 1.00 0.00 H new ATOM 0 H8 A B 4 -3.985 12.023 -4.912 1.00 0.00 H new ATOM 0 H61 A B 4 -8.696 8.296 -6.588 1.00 0.00 H new ATOM 0 H62 A B 4 -7.960 9.152 -5.229 1.00 0.00 H new ATOM 0 H2 A B 4 -6.223 9.121 -10.167 1.00 0.00 H new ATOM 1087 P G B 5 -1.032 15.557 -9.269 1.00 0.00 P ATOM 1088 OP1 G B 5 -1.956 16.409 -8.489 1.00 0.00 O ATOM 1089 OP2 G B 5 -1.276 15.361 -10.715 1.00 0.00 O ATOM 1090 O5' G B 5 0.454 16.135 -9.082 1.00 0.00 O ATOM 1091 C5' G B 5 1.503 15.668 -9.906 1.00 0.00 C ATOM 1092 C4' G B 5 2.548 14.906 -9.086 1.00 0.00 C ATOM 1093 O4' G B 5 1.951 13.787 -8.461 1.00 0.00 O ATOM 1094 C3' G B 5 3.617 14.356 -10.029 1.00 0.00 C ATOM 1095 O3' G B 5 4.819 14.115 -9.315 1.00 0.00 O ATOM 1096 C2' G B 5 2.981 13.033 -10.426 1.00 0.00 C ATOM 1097 O2' G B 5 3.904 12.113 -10.971 1.00 0.00 O ATOM 1098 C1' G B 5 2.466 12.615 -9.062 1.00 0.00 C ATOM 1099 N9 G B 5 1.418 11.585 -9.152 1.00 0.00 N ATOM 1100 C8 G B 5 0.246 11.622 -9.853 1.00 0.00 C ATOM 1101 N7 G B 5 -0.503 10.564 -9.690 1.00 0.00 N ATOM 1102 C5 G B 5 0.257 9.751 -8.842 1.00 0.00 C ATOM 1103 C6 G B 5 -0.009 8.449 -8.316 1.00 0.00 C ATOM 1104 O6 G B 5 -1.004 7.741 -8.471 1.00 0.00 O ATOM 1105 N1 G B 5 1.034 7.982 -7.535 1.00 0.00 N ATOM 1106 C2 G B 5 2.192 8.672 -7.283 1.00 0.00 C ATOM 1107 N2 G B 5 3.088 8.067 -6.515 1.00 0.00 N ATOM 1108 N3 G B 5 2.453 9.891 -7.760 1.00 0.00 N ATOM 1109 C4 G B 5 1.440 10.369 -8.527 1.00 0.00 C ATOM 0 H5' G B 5 1.976 16.510 -10.411 1.00 0.00 H new ATOM 0 H5'' G B 5 1.099 15.017 -10.681 1.00 0.00 H new ATOM 0 H4' G B 5 2.970 15.587 -8.346 1.00 0.00 H new ATOM 0 H3' G B 5 3.878 15.013 -10.859 1.00 0.00 H new ATOM 0 H2' G B 5 2.233 13.091 -11.217 1.00 0.00 H new ATOM 0 HO2' G B 5 3.664 11.205 -10.693 1.00 0.00 H new ATOM 0 H1' G B 5 3.272 12.172 -8.476 1.00 0.00 H new ATOM 0 H8 G B 5 -0.036 12.451 -10.485 1.00 0.00 H new ATOM 0 H1 G B 5 0.934 7.057 -7.116 1.00 0.00 H new ATOM 0 H21 G B 5 3.968 8.533 -6.294 1.00 0.00 H new ATOM 0 H22 G B 5 2.897 7.136 -6.145 1.00 0.00 H new ATOM 1121 P A B 6 5.676 15.313 -8.675 1.00 0.00 P ATOM 1122 OP1 A B 6 5.738 15.111 -7.210 1.00 0.00 O ATOM 1123 OP2 A B 6 5.191 16.595 -9.229 1.00 0.00 O ATOM 1124 O5' A B 6 7.130 15.028 -9.287 1.00 0.00 O ATOM 1125 C5' A B 6 7.833 13.851 -8.941 1.00 0.00 C ATOM 1126 C4' A B 6 9.080 13.740 -9.819 1.00 0.00 C ATOM 1127 O4' A B 6 10.129 14.539 -9.290 1.00 0.00 O ATOM 1128 C3' A B 6 9.585 12.297 -9.882 1.00 0.00 C ATOM 1129 O3' A B 6 9.883 12.058 -11.250 1.00 0.00 O ATOM 1130 C2' A B 6 10.811 12.358 -8.980 1.00 0.00 C ATOM 1131 O2' A B 6 11.766 11.346 -9.224 1.00 0.00 O ATOM 1132 C1' A B 6 11.300 13.752 -9.311 1.00 0.00 C ATOM 1133 N9 A B 6 12.316 14.255 -8.368 1.00 0.00 N ATOM 1134 C8 A B 6 12.822 13.663 -7.243 1.00 0.00 C ATOM 1135 N7 A B 6 13.745 14.362 -6.642 1.00 0.00 N ATOM 1136 C5 A B 6 13.863 15.503 -7.432 1.00 0.00 C ATOM 1137 C6 A B 6 14.680 16.648 -7.368 1.00 0.00 C ATOM 1138 N6 A B 6 15.590 16.856 -6.418 1.00 0.00 N ATOM 1139 N1 A B 6 14.537 17.583 -8.313 1.00 0.00 N ATOM 1140 C2 A B 6 13.638 17.401 -9.268 1.00 0.00 C ATOM 1141 N3 A B 6 12.815 16.378 -9.450 1.00 0.00 N ATOM 1142 C4 A B 6 12.982 15.448 -8.479 1.00 0.00 C ATOM 0 H5' A B 6 7.196 12.977 -9.080 1.00 0.00 H new ATOM 0 H5'' A B 6 8.115 13.876 -7.888 1.00 0.00 H new ATOM 0 H4' A B 6 8.801 14.080 -10.817 1.00 0.00 H new ATOM 0 H3' A B 6 8.915 11.500 -9.559 1.00 0.00 H new ATOM 0 H2' A B 6 10.603 12.182 -7.925 1.00 0.00 H new ATOM 0 HO2' A B 6 12.030 11.366 -10.168 1.00 0.00 H new ATOM 0 H1' A B 6 11.811 13.776 -10.273 1.00 0.00 H new ATOM 0 H8 A B 6 12.487 12.701 -6.884 1.00 0.00 H new ATOM 0 H61 A B 6 16.151 17.708 -6.427 1.00 0.00 H new ATOM 0 H62 A B 6 15.725 16.164 -5.681 1.00 0.00 H new ATOM 0 H2 A B 6 13.565 18.194 -9.998 1.00 0.00 H new ATOM 1154 P U B 7 10.226 10.591 -11.805 1.00 0.00 P ATOM 1155 OP1 U B 7 9.822 10.529 -13.227 1.00 0.00 O ATOM 1156 OP2 U B 7 9.691 9.597 -10.852 1.00 0.00 O ATOM 1157 O5' U B 7 11.835 10.539 -11.737 1.00 0.00 O ATOM 1158 C5' U B 7 12.634 10.946 -12.831 1.00 0.00 C ATOM 1159 C4' U B 7 12.340 12.389 -13.257 1.00 0.00 C ATOM 1160 O4' U B 7 12.654 13.279 -12.198 1.00 0.00 O ATOM 1161 C3' U B 7 13.258 12.765 -14.416 1.00 0.00 C ATOM 1162 O3' U B 7 12.679 13.838 -15.130 1.00 0.00 O ATOM 1163 C2' U B 7 14.504 13.209 -13.658 1.00 0.00 C ATOM 1164 O2' U B 7 15.330 14.054 -14.430 1.00 0.00 O ATOM 1165 C1' U B 7 13.885 13.932 -12.464 1.00 0.00 C ATOM 1166 N1 U B 7 14.767 13.915 -11.278 1.00 0.00 N ATOM 1167 C2 U B 7 15.538 15.040 -11.026 1.00 0.00 C ATOM 1168 O2 U B 7 15.526 16.031 -11.754 1.00 0.00 O ATOM 1169 N3 U B 7 16.344 15.003 -9.901 1.00 0.00 N ATOM 1170 C4 U B 7 16.453 13.938 -9.021 1.00 0.00 C ATOM 1171 O4 U B 7 17.201 14.004 -8.048 1.00 0.00 O ATOM 1172 C5 U B 7 15.627 12.806 -9.364 1.00 0.00 C ATOM 1173 C6 U B 7 14.827 12.820 -10.456 1.00 0.00 C ATOM 0 H5' U B 7 12.460 10.277 -13.674 1.00 0.00 H new ATOM 0 H5'' U B 7 13.687 10.855 -12.564 1.00 0.00 H new ATOM 0 H4' U B 7 11.287 12.459 -13.532 1.00 0.00 H new ATOM 0 H3' U B 7 13.447 11.981 -15.149 1.00 0.00 H new ATOM 0 H2' U B 7 15.171 12.392 -13.384 1.00 0.00 H new ATOM 0 HO2' U B 7 16.114 14.315 -13.904 1.00 0.00 H new ATOM 0 HO3' U B 7 13.321 14.576 -15.190 1.00 0.00 H new ATOM 0 H1' U B 7 13.735 14.986 -12.696 1.00 0.00 H new ATOM 0 H3 U B 7 16.906 15.831 -9.703 1.00 0.00 H new ATOM 0 H5 U B 7 15.647 11.928 -8.736 1.00 0.00 H new ATOM 0 H6 U B 7 14.225 11.953 -10.684 1.00 0.00 H new TER 1185 U B 7 HETATM 1186 ZN ZN A 187 -2.807 1.334 -10.618 1.00 0.00 ZN HETATM 1187 ZN ZN A 188 4.911 -3.964 6.197 1.00 0.00 ZN