USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=23 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+ 150:sc= 0.427 (180deg=0.117) USER MOD Set 1.2: B 4 A O2' : rot 180:sc= 0.395 USER MOD Set 2.1: A 177 LYS NZ :NH3+ 165:sc= 0.202 (180deg=-0.0477) USER MOD Set 2.2: A 183 SER OG : rot -11:sc= 0.342 USER MOD Set 3.1: A 148 HIS :FLIP no HE2:sc= 0.124 F(o=-1.2,f=0.36) USER MOD Set 3.2: B 5 G O2' : rot -164:sc= 0.231 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 128 SER OG : rot 180:sc= -0.0471 USER MOD Single : A 129 MET CE :methyl -165:sc= -0.0346 (180deg=-0.329) USER MOD Single : A 130 GLN : amide:sc= 1.46 K(o=1.5,f=-5.4!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0.0878 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 TYR OH : rot -139:sc= 0.793 USER MOD Single : A 141 ASN : amide:sc= -0.586 K(o=-0.59,f=-8.6!) USER MOD Single : A 153 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00722) USER MOD Single : A 157 GLN : amide:sc= -0.625 X(o=-0.63,f=-0.28) USER MOD Single : A 159 LYS NZ :NH3+ 132:sc= 1.16 (180deg=-0.57) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 HIS : no HD1:sc= -0.718 X(o=-0.72,f=-0.94) USER MOD Single : A 165 GLN : amide:sc= -1.08 X(o=-1.1,f=-1) USER MOD Single : A 166 SER OG : rot 75:sc= 1.29 USER MOD Single : A 168 SER OG : rot 180:sc= -0.188 USER MOD Single : A 170 MET CE :methyl 174:sc= -2.96 (180deg=-3.2) USER MOD Single : A 173 SER OG : rot -52:sc= 0.017 USER MOD Single : A 179 GLN : amide:sc= -0.46 K(o=-0.46,f=-3!) USER MOD Single : A 180 GLN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 185 GLN : amide:sc= -0.238 K(o=-0.24,f=-3!) USER MOD Single : B 1 A O2' : rot 68:sc= -0.608 USER MOD Single : B 1 A O5' : rot -37:sc= -0.124 USER MOD Single : B 2 G O2' : rot -90:sc= -0.745 USER MOD Single : B 3 G O2' : rot 95:sc= 1.71 USER MOD Single : B 6 A O2' : rot 46:sc= 0.718 USER MOD Single : B 7 U O2' : rot 180:sc= 0 USER MOD Single : B 7 U O3' : rot 134:sc= 0.118 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 124 9.151 -6.675 -7.147 1.00 0.00 N ATOM 2 CA PRO A 124 9.436 -5.940 -8.384 1.00 0.00 C ATOM 3 C PRO A 124 9.660 -6.869 -9.575 1.00 0.00 C ATOM 4 O PRO A 124 10.443 -7.813 -9.476 1.00 0.00 O ATOM 5 CB PRO A 124 10.658 -5.071 -8.087 1.00 0.00 C ATOM 6 CG PRO A 124 10.550 -4.788 -6.584 1.00 0.00 C ATOM 7 CD PRO A 124 9.365 -5.640 -6.128 1.00 0.00 C ATOM 0 HA PRO A 124 8.584 -5.327 -8.676 1.00 0.00 H new ATOM 0 HB2 PRO A 124 11.586 -5.589 -8.331 1.00 0.00 H new ATOM 0 HB3 PRO A 124 10.645 -4.150 -8.669 1.00 0.00 H new ATOM 0 HG2 PRO A 124 11.465 -5.064 -6.060 1.00 0.00 H new ATOM 0 HG3 PRO A 124 10.378 -3.729 -6.389 1.00 0.00 H new ATOM 0 HD2 PRO A 124 9.569 -6.093 -5.158 1.00 0.00 H new ATOM 0 HD3 PRO A 124 8.472 -5.025 -6.012 1.00 0.00 H new ATOM 15 N LYS A 125 8.974 -6.603 -10.691 1.00 0.00 N ATOM 16 CA LYS A 125 9.141 -7.383 -11.908 1.00 0.00 C ATOM 17 C LYS A 125 8.801 -6.541 -13.135 1.00 0.00 C ATOM 18 O LYS A 125 8.101 -5.534 -13.026 1.00 0.00 O ATOM 19 CB LYS A 125 8.246 -8.627 -11.859 1.00 0.00 C ATOM 20 CG LYS A 125 6.761 -8.256 -11.850 1.00 0.00 C ATOM 21 CD LYS A 125 5.905 -9.519 -11.879 1.00 0.00 C ATOM 22 CE LYS A 125 4.426 -9.128 -11.897 1.00 0.00 C ATOM 23 NZ LYS A 125 3.573 -10.321 -12.029 1.00 0.00 N ATOM 0 H LYS A 125 8.294 -5.846 -10.770 1.00 0.00 H new ATOM 0 HA LYS A 125 10.183 -7.695 -11.981 1.00 0.00 H new ATOM 0 HB2 LYS A 125 8.457 -9.261 -12.720 1.00 0.00 H new ATOM 0 HB3 LYS A 125 8.481 -9.210 -10.968 1.00 0.00 H new ATOM 0 HG2 LYS A 125 6.530 -7.671 -10.960 1.00 0.00 H new ATOM 0 HG3 LYS A 125 6.529 -7.630 -12.712 1.00 0.00 H new ATOM 0 HD2 LYS A 125 6.146 -10.115 -12.759 1.00 0.00 H new ATOM 0 HD3 LYS A 125 6.119 -10.137 -11.007 1.00 0.00 H new ATOM 0 HE2 LYS A 125 4.175 -8.595 -10.980 1.00 0.00 H new ATOM 0 HE3 LYS A 125 4.235 -8.445 -12.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 2.574 -10.034 -12.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 3.801 -10.814 -12.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 3.742 -10.959 -11.225 1.00 0.00 H new ATOM 37 N GLY A 126 9.292 -6.952 -14.305 1.00 0.00 N ATOM 38 CA GLY A 126 9.045 -6.235 -15.545 1.00 0.00 C ATOM 39 C GLY A 126 10.160 -6.453 -16.561 1.00 0.00 C ATOM 40 O GLY A 126 11.011 -7.332 -16.394 1.00 0.00 O ATOM 0 H GLY A 126 9.868 -7.787 -14.414 1.00 0.00 H new ATOM 0 HA2 GLY A 126 8.097 -6.563 -15.971 1.00 0.00 H new ATOM 0 HA3 GLY A 126 8.949 -5.170 -15.335 1.00 0.00 H new ATOM 44 N LYS A 127 10.148 -5.640 -17.616 1.00 0.00 N ATOM 45 CA LYS A 127 11.139 -5.667 -18.686 1.00 0.00 C ATOM 46 C LYS A 127 11.527 -4.259 -19.100 1.00 0.00 C ATOM 47 O LYS A 127 12.266 -4.066 -20.064 1.00 0.00 O ATOM 48 CB LYS A 127 10.576 -6.393 -19.899 1.00 0.00 C ATOM 49 CG LYS A 127 10.359 -7.882 -19.631 1.00 0.00 C ATOM 50 CD LYS A 127 9.782 -8.531 -20.886 1.00 0.00 C ATOM 51 CE LYS A 127 9.560 -10.017 -20.622 1.00 0.00 C ATOM 52 NZ LYS A 127 9.072 -10.699 -21.829 1.00 0.00 N ATOM 0 H LYS A 127 9.431 -4.928 -17.752 1.00 0.00 H new ATOM 0 HA LYS A 127 12.021 -6.188 -18.312 1.00 0.00 H new ATOM 0 HB2 LYS A 127 9.629 -5.936 -20.187 1.00 0.00 H new ATOM 0 HB3 LYS A 127 11.258 -6.273 -20.741 1.00 0.00 H new ATOM 0 HG2 LYS A 127 11.302 -8.358 -19.360 1.00 0.00 H new ATOM 0 HG3 LYS A 127 9.680 -8.019 -18.790 1.00 0.00 H new ATOM 0 HD2 LYS A 127 8.841 -8.053 -21.158 1.00 0.00 H new ATOM 0 HD3 LYS A 127 10.463 -8.396 -21.726 1.00 0.00 H new ATOM 0 HE2 LYS A 127 10.493 -10.475 -20.293 1.00 0.00 H new ATOM 0 HE3 LYS A 127 8.841 -10.143 -19.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 8.929 -11.708 -21.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 8.170 -10.275 -22.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 9.771 -10.597 -22.592 1.00 0.00 H new ATOM 66 N SER A 128 11.019 -3.281 -18.362 1.00 0.00 N ATOM 67 CA SER A 128 11.240 -1.874 -18.616 1.00 0.00 C ATOM 68 C SER A 128 11.206 -1.116 -17.289 1.00 0.00 C ATOM 69 O SER A 128 10.991 -1.713 -16.235 1.00 0.00 O ATOM 70 CB SER A 128 10.140 -1.382 -19.556 1.00 0.00 C ATOM 71 OG SER A 128 10.379 -0.052 -19.966 1.00 0.00 O ATOM 0 H SER A 128 10.427 -3.455 -17.550 1.00 0.00 H new ATOM 0 HA SER A 128 12.211 -1.706 -19.081 1.00 0.00 H new ATOM 0 HB2 SER A 128 10.087 -2.031 -20.430 1.00 0.00 H new ATOM 0 HB3 SER A 128 9.174 -1.443 -19.054 1.00 0.00 H new ATOM 0 HG SER A 128 9.662 0.239 -20.568 1.00 0.00 H new ATOM 77 N MET A 129 11.422 0.200 -17.331 1.00 0.00 N ATOM 78 CA MET A 129 11.432 1.045 -16.150 1.00 0.00 C ATOM 79 C MET A 129 10.929 2.438 -16.526 1.00 0.00 C ATOM 80 O MET A 129 10.678 2.707 -17.700 1.00 0.00 O ATOM 81 CB MET A 129 12.853 1.130 -15.587 1.00 0.00 C ATOM 82 CG MET A 129 13.405 -0.236 -15.185 1.00 0.00 C ATOM 83 SD MET A 129 15.030 -0.179 -14.382 1.00 0.00 S ATOM 84 CE MET A 129 16.017 0.518 -15.734 1.00 0.00 C ATOM 0 H MET A 129 11.596 0.708 -18.198 1.00 0.00 H new ATOM 0 HA MET A 129 10.779 0.620 -15.388 1.00 0.00 H new ATOM 0 HB2 MET A 129 13.510 1.579 -16.333 1.00 0.00 H new ATOM 0 HB3 MET A 129 12.858 1.790 -14.720 1.00 0.00 H new ATOM 0 HG2 MET A 129 12.696 -0.717 -14.511 1.00 0.00 H new ATOM 0 HG3 MET A 129 13.474 -0.863 -16.074 1.00 0.00 H new ATOM 0 HE1 MET A 129 17.077 0.378 -15.520 1.00 0.00 H new ATOM 0 HE2 MET A 129 15.765 0.013 -16.666 1.00 0.00 H new ATOM 0 HE3 MET A 129 15.803 1.583 -15.829 1.00 0.00 H new ATOM 94 N GLN A 130 10.782 3.320 -15.535 1.00 0.00 N ATOM 95 CA GLN A 130 10.381 4.698 -15.779 1.00 0.00 C ATOM 96 C GLN A 130 11.363 5.379 -16.724 1.00 0.00 C ATOM 97 O GLN A 130 12.514 4.957 -16.848 1.00 0.00 O ATOM 98 CB GLN A 130 10.298 5.460 -14.455 1.00 0.00 C ATOM 99 CG GLN A 130 8.848 5.592 -13.995 1.00 0.00 C ATOM 100 CD GLN A 130 8.041 6.492 -14.926 1.00 0.00 C ATOM 101 OE1 GLN A 130 8.583 7.140 -15.818 1.00 0.00 O ATOM 102 NE2 GLN A 130 6.729 6.537 -14.721 1.00 0.00 N ATOM 0 H GLN A 130 10.937 3.098 -14.552 1.00 0.00 H new ATOM 0 HA GLN A 130 9.397 4.700 -16.248 1.00 0.00 H new ATOM 0 HB2 GLN A 130 10.880 4.940 -13.694 1.00 0.00 H new ATOM 0 HB3 GLN A 130 10.739 6.450 -14.572 1.00 0.00 H new ATOM 0 HG2 GLN A 130 8.388 4.605 -13.954 1.00 0.00 H new ATOM 0 HG3 GLN A 130 8.822 5.998 -12.984 1.00 0.00 H new ATOM 0 HE21 GLN A 130 6.311 5.986 -13.971 1.00 0.00 H new ATOM 0 HE22 GLN A 130 6.140 7.122 -15.313 1.00 0.00 H new ATOM 111 N LYS A 131 10.899 6.437 -17.390 1.00 0.00 N ATOM 112 CA LYS A 131 11.679 7.146 -18.406 1.00 0.00 C ATOM 113 C LYS A 131 11.850 8.605 -18.003 1.00 0.00 C ATOM 114 O LYS A 131 12.345 9.417 -18.784 1.00 0.00 O ATOM 115 CB LYS A 131 10.981 7.031 -19.764 1.00 0.00 C ATOM 116 CG LYS A 131 10.566 5.607 -20.152 1.00 0.00 C ATOM 117 CD LYS A 131 11.702 4.742 -20.715 1.00 0.00 C ATOM 118 CE LYS A 131 12.773 4.424 -19.678 1.00 0.00 C ATOM 119 NZ LYS A 131 13.766 3.481 -20.207 1.00 0.00 N ATOM 0 H LYS A 131 9.969 6.828 -17.240 1.00 0.00 H new ATOM 0 HA LYS A 131 12.669 6.696 -18.487 1.00 0.00 H new ATOM 0 HB2 LYS A 131 10.094 7.664 -19.756 1.00 0.00 H new ATOM 0 HB3 LYS A 131 11.646 7.424 -20.533 1.00 0.00 H new ATOM 0 HG2 LYS A 131 10.151 5.112 -19.274 1.00 0.00 H new ATOM 0 HG3 LYS A 131 9.769 5.664 -20.893 1.00 0.00 H new ATOM 0 HD2 LYS A 131 11.287 3.810 -21.099 1.00 0.00 H new ATOM 0 HD3 LYS A 131 12.161 5.258 -21.558 1.00 0.00 H new ATOM 0 HE2 LYS A 131 13.270 5.344 -19.372 1.00 0.00 H new ATOM 0 HE3 LYS A 131 12.306 4.002 -18.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 14.481 3.285 -19.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 13.294 2.594 -20.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 14.228 3.895 -21.042 1.00 0.00 H new ATOM 133 N ARG A 132 11.434 8.934 -16.773 1.00 0.00 N ATOM 134 CA ARG A 132 11.515 10.272 -16.206 1.00 0.00 C ATOM 135 C ARG A 132 11.987 10.176 -14.759 1.00 0.00 C ATOM 136 O ARG A 132 11.909 9.106 -14.151 1.00 0.00 O ATOM 137 CB ARG A 132 10.147 10.925 -16.273 1.00 0.00 C ATOM 138 CG ARG A 132 9.550 10.766 -17.672 1.00 0.00 C ATOM 139 CD ARG A 132 8.341 11.673 -17.814 1.00 0.00 C ATOM 140 NE ARG A 132 7.346 11.436 -16.761 1.00 0.00 N ATOM 141 CZ ARG A 132 6.547 10.369 -16.676 1.00 0.00 C ATOM 142 NH1 ARG A 132 6.572 9.407 -17.594 1.00 0.00 N ATOM 143 NH2 ARG A 132 5.709 10.268 -15.648 1.00 0.00 N ATOM 0 H ARG A 132 11.022 8.254 -16.134 1.00 0.00 H new ATOM 0 HA ARG A 132 12.225 10.877 -16.770 1.00 0.00 H new ATOM 0 HB2 ARG A 132 9.485 10.474 -15.534 1.00 0.00 H new ATOM 0 HB3 ARG A 132 10.229 11.983 -16.023 1.00 0.00 H new ATOM 0 HG2 ARG A 132 10.295 11.015 -18.427 1.00 0.00 H new ATOM 0 HG3 ARG A 132 9.261 9.728 -17.840 1.00 0.00 H new ATOM 0 HD2 ARG A 132 8.663 12.714 -17.780 1.00 0.00 H new ATOM 0 HD3 ARG A 132 7.881 11.513 -18.789 1.00 0.00 H new ATOM 0 HE ARG A 132 7.257 12.145 -16.033 1.00 0.00 H new ATOM 0 HH11 ARG A 132 7.212 9.474 -18.386 1.00 0.00 H new ATOM 0 HH12 ARG A 132 5.952 8.602 -17.506 1.00 0.00 H new ATOM 0 HH21 ARG A 132 5.682 11.000 -14.938 1.00 0.00 H new ATOM 0 HH22 ARG A 132 5.093 9.459 -15.570 1.00 0.00 H new ATOM 157 N ARG A 133 12.473 11.287 -14.198 1.00 0.00 N ATOM 158 CA ARG A 133 12.916 11.302 -12.812 1.00 0.00 C ATOM 159 C ARG A 133 11.720 11.281 -11.869 1.00 0.00 C ATOM 160 O ARG A 133 10.634 11.740 -12.221 1.00 0.00 O ATOM 161 CB ARG A 133 13.778 12.538 -12.559 1.00 0.00 C ATOM 162 CG ARG A 133 15.120 12.373 -13.273 1.00 0.00 C ATOM 163 CD ARG A 133 16.052 13.533 -12.937 1.00 0.00 C ATOM 164 NE ARG A 133 17.406 13.270 -13.435 1.00 0.00 N ATOM 165 CZ ARG A 133 18.519 13.719 -12.852 1.00 0.00 C ATOM 166 NH1 ARG A 133 18.463 14.481 -11.768 1.00 0.00 N ATOM 167 NH2 ARG A 133 19.708 13.404 -13.357 1.00 0.00 N ATOM 0 H ARG A 133 12.567 12.179 -14.683 1.00 0.00 H new ATOM 0 HA ARG A 133 13.513 10.410 -12.621 1.00 0.00 H new ATOM 0 HB2 ARG A 133 13.268 13.431 -12.920 1.00 0.00 H new ATOM 0 HB3 ARG A 133 13.936 12.672 -11.489 1.00 0.00 H new ATOM 0 HG2 ARG A 133 15.582 11.431 -12.978 1.00 0.00 H new ATOM 0 HG3 ARG A 133 14.962 12.327 -14.350 1.00 0.00 H new ATOM 0 HD2 ARG A 133 15.669 14.453 -13.378 1.00 0.00 H new ATOM 0 HD3 ARG A 133 16.079 13.684 -11.858 1.00 0.00 H new ATOM 0 HE ARG A 133 17.503 12.708 -14.281 1.00 0.00 H new ATOM 0 HH11 ARG A 133 17.559 14.732 -11.367 1.00 0.00 H new ATOM 0 HH12 ARG A 133 19.324 14.816 -11.335 1.00 0.00 H new ATOM 0 HH21 ARG A 133 19.769 12.819 -14.190 1.00 0.00 H new ATOM 0 HH22 ARG A 133 20.559 13.747 -12.911 1.00 0.00 H new ATOM 181 N SER A 134 11.930 10.749 -10.664 1.00 0.00 N ATOM 182 CA SER A 134 10.896 10.656 -9.647 1.00 0.00 C ATOM 183 C SER A 134 11.535 10.399 -8.291 1.00 0.00 C ATOM 184 O SER A 134 12.632 9.846 -8.202 1.00 0.00 O ATOM 185 CB SER A 134 9.948 9.509 -10.004 1.00 0.00 C ATOM 186 OG SER A 134 8.988 9.321 -8.984 1.00 0.00 O ATOM 0 H SER A 134 12.830 10.370 -10.370 1.00 0.00 H new ATOM 0 HA SER A 134 10.336 11.590 -9.602 1.00 0.00 H new ATOM 0 HB2 SER A 134 9.447 9.725 -10.947 1.00 0.00 H new ATOM 0 HB3 SER A 134 10.518 8.591 -10.148 1.00 0.00 H new ATOM 0 HG SER A 134 8.389 8.585 -9.230 1.00 0.00 H new ATOM 192 N LYS A 135 10.849 10.795 -7.214 1.00 0.00 N ATOM 193 CA LYS A 135 11.285 10.530 -5.852 1.00 0.00 C ATOM 194 C LYS A 135 11.341 9.025 -5.585 1.00 0.00 C ATOM 195 O LYS A 135 11.986 8.588 -4.633 1.00 0.00 O ATOM 196 CB LYS A 135 10.313 11.212 -4.890 1.00 0.00 C ATOM 197 CG LYS A 135 10.790 11.126 -3.436 1.00 0.00 C ATOM 198 CD LYS A 135 9.837 11.889 -2.517 1.00 0.00 C ATOM 199 CE LYS A 135 8.455 11.238 -2.485 1.00 0.00 C ATOM 200 NZ LYS A 135 7.502 12.045 -1.695 1.00 0.00 N ATOM 0 H LYS A 135 9.971 11.311 -7.270 1.00 0.00 H new ATOM 0 HA LYS A 135 12.289 10.927 -5.704 1.00 0.00 H new ATOM 0 HB2 LYS A 135 10.197 12.258 -5.172 1.00 0.00 H new ATOM 0 HB3 LYS A 135 9.331 10.748 -4.977 1.00 0.00 H new ATOM 0 HG2 LYS A 135 10.847 10.082 -3.126 1.00 0.00 H new ATOM 0 HG3 LYS A 135 11.795 11.539 -3.351 1.00 0.00 H new ATOM 0 HD2 LYS A 135 10.249 11.921 -1.509 1.00 0.00 H new ATOM 0 HD3 LYS A 135 9.748 12.920 -2.858 1.00 0.00 H new ATOM 0 HE2 LYS A 135 8.081 11.122 -3.502 1.00 0.00 H new ATOM 0 HE3 LYS A 135 8.531 10.238 -2.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 6.572 11.579 -1.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 7.849 12.134 -0.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 7.413 12.991 -2.119 1.00 0.00 H new ATOM 214 N GLY A 136 10.667 8.230 -6.425 1.00 0.00 N ATOM 215 CA GLY A 136 10.522 6.794 -6.233 1.00 0.00 C ATOM 216 C GLY A 136 9.049 6.422 -6.082 1.00 0.00 C ATOM 217 O GLY A 136 8.723 5.291 -5.727 1.00 0.00 O ATOM 0 H GLY A 136 10.204 8.576 -7.265 1.00 0.00 H new ATOM 0 HA2 GLY A 136 10.953 6.262 -7.081 1.00 0.00 H new ATOM 0 HA3 GLY A 136 11.075 6.482 -5.347 1.00 0.00 H new ATOM 221 N ASP A 137 8.161 7.385 -6.350 1.00 0.00 N ATOM 222 CA ASP A 137 6.726 7.219 -6.209 1.00 0.00 C ATOM 223 C ASP A 137 6.185 6.075 -7.059 1.00 0.00 C ATOM 224 O ASP A 137 6.698 5.798 -8.143 1.00 0.00 O ATOM 225 CB ASP A 137 6.024 8.505 -6.642 1.00 0.00 C ATOM 226 CG ASP A 137 6.330 9.666 -5.703 1.00 0.00 C ATOM 227 OD1 ASP A 137 6.041 9.523 -4.497 1.00 0.00 O ATOM 228 OD2 ASP A 137 6.858 10.684 -6.201 1.00 0.00 O ATOM 0 H ASP A 137 8.432 8.313 -6.675 1.00 0.00 H new ATOM 0 HA ASP A 137 6.531 6.989 -5.161 1.00 0.00 H new ATOM 0 HB2 ASP A 137 6.335 8.765 -7.654 1.00 0.00 H new ATOM 0 HB3 ASP A 137 4.947 8.338 -6.673 1.00 0.00 H new ATOM 233 N ARG A 138 5.138 5.425 -6.548 1.00 0.00 N ATOM 234 CA ARG A 138 4.408 4.386 -7.245 1.00 0.00 C ATOM 235 C ARG A 138 2.932 4.498 -6.915 1.00 0.00 C ATOM 236 O ARG A 138 2.573 4.933 -5.822 1.00 0.00 O ATOM 237 CB ARG A 138 4.907 3.016 -6.790 1.00 0.00 C ATOM 238 CG ARG A 138 6.270 2.713 -7.397 1.00 0.00 C ATOM 239 CD ARG A 138 6.683 1.278 -7.083 1.00 0.00 C ATOM 240 NE ARG A 138 6.572 0.982 -5.653 1.00 0.00 N ATOM 241 CZ ARG A 138 7.357 1.512 -4.713 1.00 0.00 C ATOM 242 NH1 ARG A 138 8.365 2.325 -5.024 1.00 0.00 N ATOM 243 NH2 ARG A 138 7.127 1.222 -3.436 1.00 0.00 N ATOM 0 H ARG A 138 4.772 5.617 -5.615 1.00 0.00 H new ATOM 0 HA ARG A 138 4.562 4.500 -8.318 1.00 0.00 H new ATOM 0 HB2 ARG A 138 4.973 2.990 -5.702 1.00 0.00 H new ATOM 0 HB3 ARG A 138 4.193 2.247 -7.084 1.00 0.00 H new ATOM 0 HG2 ARG A 138 6.236 2.861 -8.476 1.00 0.00 H new ATOM 0 HG3 ARG A 138 7.013 3.407 -7.004 1.00 0.00 H new ATOM 0 HD2 ARG A 138 6.056 0.587 -7.647 1.00 0.00 H new ATOM 0 HD3 ARG A 138 7.710 1.115 -7.409 1.00 0.00 H new ATOM 0 HE ARG A 138 5.848 0.328 -5.356 1.00 0.00 H new ATOM 0 HH11 ARG A 138 8.552 2.556 -6.000 1.00 0.00 H new ATOM 0 HH12 ARG A 138 8.950 2.717 -4.286 1.00 0.00 H new ATOM 0 HH21 ARG A 138 6.358 0.601 -3.185 1.00 0.00 H new ATOM 0 HH22 ARG A 138 7.720 1.621 -2.708 1.00 0.00 H new ATOM 257 N CYS A 139 2.101 4.101 -7.878 1.00 0.00 N ATOM 258 CA CYS A 139 0.653 4.106 -7.784 1.00 0.00 C ATOM 259 C CYS A 139 0.217 3.668 -6.392 1.00 0.00 C ATOM 260 O CYS A 139 0.405 2.515 -6.012 1.00 0.00 O ATOM 261 CB CYS A 139 0.121 3.185 -8.891 1.00 0.00 C ATOM 262 SG CYS A 139 -1.635 2.822 -8.650 1.00 0.00 S ATOM 0 H CYS A 139 2.437 3.755 -8.777 1.00 0.00 H new ATOM 0 HA CYS A 139 0.243 5.106 -7.928 1.00 0.00 H new ATOM 0 HB2 CYS A 139 0.268 3.657 -9.863 1.00 0.00 H new ATOM 0 HB3 CYS A 139 0.690 2.255 -8.899 1.00 0.00 H new ATOM 267 N TYR A 140 -0.363 4.598 -5.629 1.00 0.00 N ATOM 268 CA TYR A 140 -0.835 4.314 -4.286 1.00 0.00 C ATOM 269 C TYR A 140 -1.930 3.256 -4.302 1.00 0.00 C ATOM 270 O TYR A 140 -2.273 2.732 -3.248 1.00 0.00 O ATOM 271 CB TYR A 140 -1.415 5.572 -3.644 1.00 0.00 C ATOM 272 CG TYR A 140 -0.430 6.638 -3.224 1.00 0.00 C ATOM 273 CD1 TYR A 140 0.848 6.301 -2.752 1.00 0.00 C ATOM 274 CD2 TYR A 140 -0.818 7.984 -3.290 1.00 0.00 C ATOM 275 CE1 TYR A 140 1.712 7.300 -2.292 1.00 0.00 C ATOM 276 CE2 TYR A 140 0.036 8.990 -2.824 1.00 0.00 C ATOM 277 CZ TYR A 140 1.304 8.651 -2.306 1.00 0.00 C ATOM 278 OH TYR A 140 2.129 9.617 -1.826 1.00 0.00 O ATOM 0 H TYR A 140 -0.515 5.561 -5.929 1.00 0.00 H new ATOM 0 HA TYR A 140 0.022 3.955 -3.716 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -2.119 6.018 -4.346 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -1.987 5.273 -2.766 1.00 0.00 H new ATOM 0 HD1 TYR A 140 1.165 5.269 -2.744 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -1.781 8.246 -3.703 1.00 0.00 H new ATOM 0 HE1 TYR A 140 2.693 7.037 -1.925 1.00 0.00 H new ATOM 0 HE2 TYR A 140 -0.275 10.024 -2.861 1.00 0.00 H new ATOM 0 HH TYR A 140 1.607 10.265 -1.308 1.00 0.00 H new ATOM 288 N ASN A 141 -2.484 2.943 -5.477 1.00 0.00 N ATOM 289 CA ASN A 141 -3.596 2.022 -5.545 1.00 0.00 C ATOM 290 C ASN A 141 -3.106 0.603 -5.775 1.00 0.00 C ATOM 291 O ASN A 141 -3.591 -0.325 -5.136 1.00 0.00 O ATOM 292 CB ASN A 141 -4.521 2.470 -6.675 1.00 0.00 C ATOM 293 CG ASN A 141 -5.833 1.709 -6.652 1.00 0.00 C ATOM 294 OD1 ASN A 141 -6.567 1.768 -5.670 1.00 0.00 O ATOM 295 ND2 ASN A 141 -6.134 0.989 -7.727 1.00 0.00 N ATOM 0 H ASN A 141 -2.178 3.314 -6.377 1.00 0.00 H new ATOM 0 HA ASN A 141 -4.140 2.026 -4.601 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -4.717 3.538 -6.585 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -4.027 2.317 -7.634 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -7.004 0.457 -7.758 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -5.495 0.968 -8.522 1.00 0.00 H new ATOM 302 N CYS A 142 -2.151 0.413 -6.686 1.00 0.00 N ATOM 303 CA CYS A 142 -1.749 -0.922 -7.078 1.00 0.00 C ATOM 304 C CYS A 142 -0.269 -1.155 -6.796 1.00 0.00 C ATOM 305 O CYS A 142 0.127 -2.259 -6.422 1.00 0.00 O ATOM 306 CB CYS A 142 -2.152 -1.119 -8.536 1.00 0.00 C ATOM 307 SG CYS A 142 -0.895 -0.457 -9.651 1.00 0.00 S ATOM 0 H CYS A 142 -1.650 1.165 -7.158 1.00 0.00 H new ATOM 0 HA CYS A 142 -2.258 -1.681 -6.484 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -2.298 -2.180 -8.736 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -3.106 -0.625 -8.723 1.00 0.00 H new ATOM 312 N GLY A 143 0.540 -0.109 -6.971 1.00 0.00 N ATOM 313 CA GLY A 143 1.961 -0.159 -6.676 1.00 0.00 C ATOM 314 C GLY A 143 2.803 -0.112 -7.943 1.00 0.00 C ATOM 315 O GLY A 143 3.998 -0.388 -7.891 1.00 0.00 O ATOM 0 H GLY A 143 0.222 0.794 -7.322 1.00 0.00 H new ATOM 0 HA2 GLY A 143 2.228 0.678 -6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 143 2.186 -1.071 -6.124 1.00 0.00 H new ATOM 319 N GLY A 144 2.198 0.235 -9.083 1.00 0.00 N ATOM 320 CA GLY A 144 2.941 0.382 -10.323 1.00 0.00 C ATOM 321 C GLY A 144 3.762 1.669 -10.331 1.00 0.00 C ATOM 322 O GLY A 144 3.546 2.553 -9.508 1.00 0.00 O ATOM 0 H GLY A 144 1.198 0.417 -9.166 1.00 0.00 H new ATOM 0 HA2 GLY A 144 3.602 -0.474 -10.456 1.00 0.00 H new ATOM 0 HA3 GLY A 144 2.249 0.385 -11.165 1.00 0.00 H new ATOM 326 N LEU A 145 4.708 1.779 -11.264 1.00 0.00 N ATOM 327 CA LEU A 145 5.641 2.900 -11.328 1.00 0.00 C ATOM 328 C LEU A 145 5.448 3.666 -12.626 1.00 0.00 C ATOM 329 O LEU A 145 5.745 4.856 -12.698 1.00 0.00 O ATOM 330 CB LEU A 145 7.097 2.418 -11.246 1.00 0.00 C ATOM 331 CG LEU A 145 7.301 0.922 -11.500 1.00 0.00 C ATOM 332 CD1 LEU A 145 8.764 0.656 -11.812 1.00 0.00 C ATOM 333 CD2 LEU A 145 6.936 0.113 -10.254 1.00 0.00 C ATOM 0 H LEU A 145 4.848 1.087 -12.001 1.00 0.00 H new ATOM 0 HA LEU A 145 5.437 3.549 -10.477 1.00 0.00 H new ATOM 0 HB2 LEU A 145 7.690 2.978 -11.969 1.00 0.00 H new ATOM 0 HB3 LEU A 145 7.488 2.660 -10.258 1.00 0.00 H new ATOM 0 HG LEU A 145 6.665 0.628 -12.335 1.00 0.00 H new ATOM 0 HD11 LEU A 145 8.910 -0.409 -11.993 1.00 0.00 H new ATOM 0 HD12 LEU A 145 9.055 1.218 -12.700 1.00 0.00 H new ATOM 0 HD13 LEU A 145 9.379 0.968 -10.968 1.00 0.00 H new ATOM 0 HD21 LEU A 145 7.087 -0.948 -10.452 1.00 0.00 H new ATOM 0 HD22 LEU A 145 7.570 0.420 -9.422 1.00 0.00 H new ATOM 0 HD23 LEU A 145 5.891 0.289 -9.999 1.00 0.00 H new ATOM 345 N ASP A 146 4.942 2.979 -13.650 1.00 0.00 N ATOM 346 CA ASP A 146 4.678 3.563 -14.951 1.00 0.00 C ATOM 347 C ASP A 146 3.413 4.423 -14.914 1.00 0.00 C ATOM 348 O ASP A 146 3.064 5.063 -15.902 1.00 0.00 O ATOM 349 CB ASP A 146 4.548 2.417 -15.953 1.00 0.00 C ATOM 350 CG ASP A 146 4.293 2.916 -17.369 1.00 0.00 C ATOM 351 OD1 ASP A 146 5.200 3.575 -17.931 1.00 0.00 O ATOM 352 OD2 ASP A 146 3.188 2.633 -17.883 1.00 0.00 O ATOM 0 H ASP A 146 4.703 1.989 -13.591 1.00 0.00 H new ATOM 0 HA ASP A 146 5.493 4.223 -15.247 1.00 0.00 H new ATOM 0 HB2 ASP A 146 5.460 1.819 -15.939 1.00 0.00 H new ATOM 0 HB3 ASP A 146 3.732 1.761 -15.648 1.00 0.00 H new ATOM 357 N HIS A 147 2.729 4.447 -13.768 1.00 0.00 N ATOM 358 CA HIS A 147 1.499 5.194 -13.598 1.00 0.00 C ATOM 359 C HIS A 147 1.269 5.528 -12.126 1.00 0.00 C ATOM 360 O HIS A 147 2.082 5.193 -11.265 1.00 0.00 O ATOM 361 CB HIS A 147 0.329 4.364 -14.141 1.00 0.00 C ATOM 362 CG HIS A 147 0.021 3.138 -13.327 1.00 0.00 C ATOM 363 ND1 HIS A 147 0.647 1.917 -13.402 1.00 0.00 N ATOM 364 CD2 HIS A 147 -0.953 3.033 -12.374 1.00 0.00 C ATOM 365 CE1 HIS A 147 0.072 1.105 -12.499 1.00 0.00 C ATOM 366 NE2 HIS A 147 -0.918 1.739 -11.851 1.00 0.00 N ATOM 0 H HIS A 147 3.022 3.942 -12.931 1.00 0.00 H new ATOM 0 HA HIS A 147 1.571 6.131 -14.149 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -0.560 4.993 -14.183 1.00 0.00 H new ATOM 0 HB3 HIS A 147 0.555 4.062 -15.164 1.00 0.00 H new ATOM 0 HD1 HIS A 147 1.412 1.671 -14.031 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -1.633 3.817 -12.076 1.00 0.00 H new ATOM 0 HE1 HIS A 147 0.366 0.082 -12.319 1.00 0.00 H new ATOM 374 N HIS A 148 0.147 6.195 -11.832 1.00 0.00 N ATOM 375 CA HIS A 148 -0.223 6.587 -10.481 1.00 0.00 C ATOM 376 C HIS A 148 -1.663 6.190 -10.194 1.00 0.00 C ATOM 377 O HIS A 148 -2.375 5.752 -11.096 1.00 0.00 O ATOM 378 CB HIS A 148 -0.020 8.092 -10.305 1.00 0.00 C ATOM 379 CG HIS A 148 1.430 8.482 -10.177 1.00 0.00 C ATOM 380 ND1 HIS A 148 2.308 7.960 -9.274 1.00 0.00 N flip ATOM 381 CD2 HIS A 148 2.086 9.444 -10.948 1.00 0.00 C flip ATOM 382 CE1 HIS A 148 3.509 8.598 -9.480 1.00 0.00 C flip ATOM 383 NE2 HIS A 148 3.345 9.479 -10.482 1.00 0.00 N flip ATOM 0 H HIS A 148 -0.532 6.478 -12.538 1.00 0.00 H new ATOM 0 HA HIS A 148 0.416 6.068 -9.767 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -0.456 8.613 -11.157 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -0.559 8.424 -9.418 1.00 0.00 H new ATOM 0 HD1 HIS A 148 2.112 7.238 -8.581 1.00 0.00 H new ATOM 0 HD2 HIS A 148 1.669 10.035 -11.750 1.00 0.00 H new ATOM 0 HE1 HIS A 148 4.423 8.422 -8.933 1.00 0.00 H new ATOM 391 N ALA A 149 -2.097 6.339 -8.942 1.00 0.00 N ATOM 392 CA ALA A 149 -3.402 5.866 -8.496 1.00 0.00 C ATOM 393 C ALA A 149 -4.551 6.511 -9.275 1.00 0.00 C ATOM 394 O ALA A 149 -5.650 5.961 -9.329 1.00 0.00 O ATOM 395 CB ALA A 149 -3.525 6.158 -6.999 1.00 0.00 C ATOM 0 H ALA A 149 -1.550 6.792 -8.210 1.00 0.00 H new ATOM 0 HA ALA A 149 -3.475 4.795 -8.683 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -4.495 5.813 -6.639 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -2.732 5.638 -6.461 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -3.436 7.231 -6.829 1.00 0.00 H new ATOM 401 N LYS A 150 -4.304 7.675 -9.871 1.00 0.00 N ATOM 402 CA LYS A 150 -5.280 8.394 -10.680 1.00 0.00 C ATOM 403 C LYS A 150 -5.318 7.879 -12.110 1.00 0.00 C ATOM 404 O LYS A 150 -6.242 8.179 -12.859 1.00 0.00 O ATOM 405 CB LYS A 150 -4.922 9.877 -10.673 1.00 0.00 C ATOM 406 CG LYS A 150 -3.533 10.120 -11.276 1.00 0.00 C ATOM 407 CD LYS A 150 -2.996 11.501 -10.917 1.00 0.00 C ATOM 408 CE LYS A 150 -2.779 11.589 -9.410 1.00 0.00 C ATOM 409 NZ LYS A 150 -2.238 12.900 -9.028 1.00 0.00 N ATOM 0 H LYS A 150 -3.405 8.151 -9.803 1.00 0.00 H new ATOM 0 HA LYS A 150 -6.270 8.236 -10.251 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -5.668 10.436 -11.238 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -4.948 10.254 -9.651 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -2.842 9.357 -10.918 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -3.584 10.020 -12.360 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.058 11.685 -11.441 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.698 12.270 -11.239 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -3.723 11.417 -8.893 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -2.094 10.803 -9.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -2.557 13.141 -8.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -1.199 12.866 -9.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -2.574 13.622 -9.696 1.00 0.00 H new ATOM 423 N GLU A 151 -4.306 7.102 -12.480 1.00 0.00 N ATOM 424 CA GLU A 151 -4.197 6.484 -13.799 1.00 0.00 C ATOM 425 C GLU A 151 -4.242 4.964 -13.722 1.00 0.00 C ATOM 426 O GLU A 151 -4.065 4.297 -14.739 1.00 0.00 O ATOM 427 CB GLU A 151 -2.879 6.886 -14.463 1.00 0.00 C ATOM 428 CG GLU A 151 -2.526 8.344 -14.202 1.00 0.00 C ATOM 429 CD GLU A 151 -1.367 8.796 -15.090 1.00 0.00 C ATOM 430 OE1 GLU A 151 -0.340 8.083 -15.087 1.00 0.00 O ATOM 431 OE2 GLU A 151 -1.522 9.842 -15.759 1.00 0.00 O ATOM 0 H GLU A 151 -3.525 6.879 -11.863 1.00 0.00 H new ATOM 0 HA GLU A 151 -5.048 6.835 -14.383 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -2.077 6.248 -14.092 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -2.949 6.717 -15.538 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -3.397 8.972 -14.388 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -2.258 8.475 -13.154 1.00 0.00 H new ATOM 438 N CYS A 152 -4.473 4.415 -12.524 1.00 0.00 N ATOM 439 CA CYS A 152 -4.497 2.980 -12.321 1.00 0.00 C ATOM 440 C CYS A 152 -5.529 2.313 -13.224 1.00 0.00 C ATOM 441 O CYS A 152 -6.404 2.974 -13.784 1.00 0.00 O ATOM 442 CB CYS A 152 -4.719 2.674 -10.839 1.00 0.00 C ATOM 443 SG CYS A 152 -4.016 1.042 -10.491 1.00 0.00 S ATOM 0 H CYS A 152 -4.647 4.958 -11.678 1.00 0.00 H new ATOM 0 HA CYS A 152 -3.533 2.558 -12.604 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -4.244 3.433 -10.218 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -5.783 2.689 -10.602 1.00 0.00 H new ATOM 448 N LYS A 153 -5.414 0.994 -13.368 1.00 0.00 N ATOM 449 CA LYS A 153 -6.178 0.236 -14.346 1.00 0.00 C ATOM 450 C LYS A 153 -6.988 -0.905 -13.726 1.00 0.00 C ATOM 451 O LYS A 153 -7.648 -1.659 -14.441 1.00 0.00 O ATOM 452 CB LYS A 153 -5.262 -0.239 -15.479 1.00 0.00 C ATOM 453 CG LYS A 153 -3.856 -0.609 -15.009 1.00 0.00 C ATOM 454 CD LYS A 153 -3.882 -1.799 -14.056 1.00 0.00 C ATOM 455 CE LYS A 153 -2.540 -1.942 -13.342 1.00 0.00 C ATOM 456 NZ LYS A 153 -1.446 -2.290 -14.266 1.00 0.00 N ATOM 0 H LYS A 153 -4.784 0.422 -12.805 1.00 0.00 H new ATOM 0 HA LYS A 153 -6.924 0.907 -14.771 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -5.714 -1.104 -15.963 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -5.190 0.546 -16.232 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -3.233 -0.846 -15.872 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -3.400 0.247 -14.512 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -4.678 -1.668 -13.323 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -4.105 -2.711 -14.610 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -2.300 -1.007 -12.835 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -2.621 -2.710 -12.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -0.560 -2.393 -13.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -1.668 -3.186 -14.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -1.338 -1.537 -14.975 1.00 0.00 H new ATOM 470 N LEU A 154 -6.924 -1.021 -12.402 1.00 0.00 N ATOM 471 CA LEU A 154 -7.715 -1.954 -11.613 1.00 0.00 C ATOM 472 C LEU A 154 -8.589 -1.152 -10.645 1.00 0.00 C ATOM 473 O LEU A 154 -8.375 0.051 -10.491 1.00 0.00 O ATOM 474 CB LEU A 154 -6.787 -2.979 -10.948 1.00 0.00 C ATOM 475 CG LEU A 154 -5.481 -2.412 -10.418 1.00 0.00 C ATOM 476 CD1 LEU A 154 -5.775 -1.489 -9.245 1.00 0.00 C ATOM 477 CD2 LEU A 154 -4.620 -3.577 -9.950 1.00 0.00 C ATOM 0 H LEU A 154 -6.300 -0.449 -11.833 1.00 0.00 H new ATOM 0 HA LEU A 154 -8.396 -2.540 -12.230 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -7.322 -3.451 -10.124 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -6.559 -3.763 -11.670 1.00 0.00 H new ATOM 0 HG LEU A 154 -4.963 -1.847 -11.193 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -4.841 -1.080 -8.861 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -6.419 -0.674 -9.576 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -6.276 -2.051 -8.457 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -3.674 -3.198 -9.564 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -5.141 -4.122 -9.163 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -4.427 -4.247 -10.788 1.00 0.00 H new ATOM 489 N PRO A 155 -9.565 -1.786 -9.981 1.00 0.00 N ATOM 490 CA PRO A 155 -10.469 -1.094 -9.077 1.00 0.00 C ATOM 491 C PRO A 155 -9.721 -0.502 -7.885 1.00 0.00 C ATOM 492 O PRO A 155 -8.544 -0.806 -7.689 1.00 0.00 O ATOM 493 CB PRO A 155 -11.492 -2.151 -8.643 1.00 0.00 C ATOM 494 CG PRO A 155 -10.765 -3.475 -8.842 1.00 0.00 C ATOM 495 CD PRO A 155 -9.887 -3.202 -10.055 1.00 0.00 C ATOM 0 HA PRO A 155 -10.954 -0.246 -9.559 1.00 0.00 H new ATOM 0 HB2 PRO A 155 -11.792 -2.013 -7.604 1.00 0.00 H new ATOM 0 HB3 PRO A 155 -12.399 -2.099 -9.246 1.00 0.00 H new ATOM 0 HG2 PRO A 155 -10.173 -3.746 -7.968 1.00 0.00 H new ATOM 0 HG3 PRO A 155 -11.460 -4.295 -9.023 1.00 0.00 H new ATOM 0 HD2 PRO A 155 -8.984 -3.813 -10.033 1.00 0.00 H new ATOM 0 HD3 PRO A 155 -10.410 -3.439 -10.981 1.00 0.00 H new ATOM 503 N PRO A 156 -10.379 0.343 -7.084 1.00 0.00 N ATOM 504 CA PRO A 156 -9.763 1.000 -5.950 1.00 0.00 C ATOM 505 C PRO A 156 -9.390 -0.016 -4.879 1.00 0.00 C ATOM 506 O PRO A 156 -10.236 -0.463 -4.102 1.00 0.00 O ATOM 507 CB PRO A 156 -10.777 2.027 -5.455 1.00 0.00 C ATOM 508 CG PRO A 156 -12.118 1.463 -5.914 1.00 0.00 C ATOM 509 CD PRO A 156 -11.771 0.738 -7.213 1.00 0.00 C ATOM 0 HA PRO A 156 -8.830 1.495 -6.220 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -10.739 2.137 -4.371 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -10.590 3.012 -5.882 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -12.542 0.783 -5.175 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -12.851 2.253 -6.078 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -12.412 -0.131 -7.360 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -11.915 1.389 -8.075 1.00 0.00 H new ATOM 517 N GLN A 157 -8.111 -0.383 -4.844 1.00 0.00 N ATOM 518 CA GLN A 157 -7.580 -1.340 -3.901 1.00 0.00 C ATOM 519 C GLN A 157 -7.387 -0.697 -2.537 1.00 0.00 C ATOM 520 O GLN A 157 -7.431 0.528 -2.415 1.00 0.00 O ATOM 521 CB GLN A 157 -6.180 -1.748 -4.349 1.00 0.00 C ATOM 522 CG GLN A 157 -6.122 -2.294 -5.767 1.00 0.00 C ATOM 523 CD GLN A 157 -6.929 -3.572 -5.909 1.00 0.00 C ATOM 524 OE1 GLN A 157 -6.853 -4.461 -5.061 1.00 0.00 O ATOM 525 NE2 GLN A 157 -7.704 -3.663 -6.976 1.00 0.00 N ATOM 0 H GLN A 157 -7.410 -0.012 -5.485 1.00 0.00 H new ATOM 0 HA GLN A 157 -8.274 -2.179 -3.851 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -5.519 -0.884 -4.275 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -5.795 -2.503 -3.663 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -6.502 -1.545 -6.462 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -5.085 -2.486 -6.041 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -7.733 -2.899 -7.652 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -8.273 -4.497 -7.124 1.00 0.00 H new ATOM 534 N PRO A 158 -7.165 -1.510 -1.506 1.00 0.00 N ATOM 535 CA PRO A 158 -6.658 -1.019 -0.246 1.00 0.00 C ATOM 536 C PRO A 158 -5.162 -0.815 -0.443 1.00 0.00 C ATOM 537 O PRO A 158 -4.475 -1.684 -0.993 1.00 0.00 O ATOM 538 CB PRO A 158 -6.950 -2.126 0.755 1.00 0.00 C ATOM 539 CG PRO A 158 -6.883 -3.394 -0.097 1.00 0.00 C ATOM 540 CD PRO A 158 -7.342 -2.946 -1.485 1.00 0.00 C ATOM 0 HA PRO A 158 -7.098 -0.083 0.098 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -6.217 -2.143 1.561 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -7.929 -2.003 1.217 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -5.872 -3.801 -0.125 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -7.530 -4.175 0.302 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -6.753 -3.425 -2.267 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -8.384 -3.216 -1.660 1.00 0.00 H new ATOM 548 N LYS A 159 -4.638 0.325 -0.001 1.00 0.00 N ATOM 549 CA LYS A 159 -3.215 0.610 -0.133 1.00 0.00 C ATOM 550 C LYS A 159 -2.445 -0.232 0.882 1.00 0.00 C ATOM 551 O LYS A 159 -2.341 0.130 2.051 1.00 0.00 O ATOM 552 CB LYS A 159 -2.894 2.109 -0.062 1.00 0.00 C ATOM 553 CG LYS A 159 -3.807 2.975 0.803 1.00 0.00 C ATOM 554 CD LYS A 159 -3.387 4.443 0.688 1.00 0.00 C ATOM 555 CE LYS A 159 -2.297 4.807 1.694 1.00 0.00 C ATOM 556 NZ LYS A 159 -2.830 4.808 3.067 1.00 0.00 N ATOM 0 H LYS A 159 -5.177 1.064 0.450 1.00 0.00 H new ATOM 0 HA LYS A 159 -2.887 0.323 -1.132 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -1.874 2.220 0.306 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -2.911 2.507 -1.076 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -4.843 2.857 0.486 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -3.753 2.652 1.843 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -3.028 4.639 -0.322 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -4.255 5.082 0.847 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -1.475 4.095 1.619 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -1.890 5.790 1.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -2.191 4.271 3.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -2.904 5.787 3.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -3.772 4.367 3.074 1.00 0.00 H new ATOM 570 N LYS A 160 -1.909 -1.357 0.402 1.00 0.00 N ATOM 571 CA LYS A 160 -1.099 -2.288 1.173 1.00 0.00 C ATOM 572 C LYS A 160 0.272 -1.689 1.449 1.00 0.00 C ATOM 573 O LYS A 160 0.701 -0.765 0.763 1.00 0.00 O ATOM 574 CB LYS A 160 -0.898 -3.559 0.352 1.00 0.00 C ATOM 575 CG LYS A 160 -2.191 -4.333 0.113 1.00 0.00 C ATOM 576 CD LYS A 160 -2.039 -5.256 -1.091 1.00 0.00 C ATOM 577 CE LYS A 160 -3.214 -5.019 -2.042 1.00 0.00 C ATOM 578 NZ LYS A 160 -3.031 -5.759 -3.300 1.00 0.00 N ATOM 0 H LYS A 160 -2.034 -1.650 -0.567 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.605 -2.501 2.115 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -0.457 -3.296 -0.609 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -0.185 -4.205 0.864 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -2.442 -4.917 0.998 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -3.014 -3.638 -0.054 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -1.095 -5.061 -1.600 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -2.018 -6.297 -0.769 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -4.142 -5.331 -1.564 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -3.307 -3.954 -2.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -3.841 -5.582 -3.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -2.156 -5.442 -3.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -2.966 -6.777 -3.098 1.00 0.00 H new ATOM 592 N CYS A 161 0.959 -2.234 2.452 1.00 0.00 N ATOM 593 CA CYS A 161 2.349 -1.932 2.720 1.00 0.00 C ATOM 594 C CYS A 161 3.190 -2.324 1.502 1.00 0.00 C ATOM 595 O CYS A 161 3.185 -3.477 1.078 1.00 0.00 O ATOM 596 CB CYS A 161 2.748 -2.718 3.970 1.00 0.00 C ATOM 597 SG CYS A 161 4.518 -2.578 4.291 1.00 0.00 S ATOM 0 H CYS A 161 0.554 -2.905 3.105 1.00 0.00 H new ATOM 0 HA CYS A 161 2.512 -0.869 2.897 1.00 0.00 H new ATOM 0 HB2 CYS A 161 2.189 -2.348 4.830 1.00 0.00 H new ATOM 0 HB3 CYS A 161 2.480 -3.767 3.844 1.00 0.00 H new ATOM 602 N HIS A 162 3.924 -1.370 0.924 1.00 0.00 N ATOM 603 CA HIS A 162 4.797 -1.608 -0.218 1.00 0.00 C ATOM 604 C HIS A 162 5.983 -2.505 0.150 1.00 0.00 C ATOM 605 O HIS A 162 6.931 -2.618 -0.623 1.00 0.00 O ATOM 606 CB HIS A 162 5.308 -0.268 -0.750 1.00 0.00 C ATOM 607 CG HIS A 162 4.302 0.499 -1.566 1.00 0.00 C ATOM 608 ND1 HIS A 162 3.332 -0.063 -2.398 1.00 0.00 N ATOM 609 CD2 HIS A 162 4.209 1.861 -1.626 1.00 0.00 C ATOM 610 CE1 HIS A 162 2.692 0.978 -2.949 1.00 0.00 C ATOM 611 NE2 HIS A 162 3.194 2.143 -2.507 1.00 0.00 N ATOM 0 H HIS A 162 3.926 -0.401 1.243 1.00 0.00 H new ATOM 0 HA HIS A 162 4.219 -2.123 -0.985 1.00 0.00 H new ATOM 0 HB2 HIS A 162 5.621 0.349 0.093 1.00 0.00 H new ATOM 0 HB3 HIS A 162 6.193 -0.446 -1.360 1.00 0.00 H new ATOM 0 HD2 HIS A 162 4.814 2.575 -1.087 1.00 0.00 H new ATOM 0 HE1 HIS A 162 1.880 0.891 -3.655 1.00 0.00 H new ATOM 0 HE2 HIS A 162 2.877 3.074 -2.778 1.00 0.00 H new ATOM 619 N PHE A 163 5.935 -3.140 1.322 1.00 0.00 N ATOM 620 CA PHE A 163 7.071 -3.864 1.853 1.00 0.00 C ATOM 621 C PHE A 163 6.706 -5.266 2.331 1.00 0.00 C ATOM 622 O PHE A 163 7.516 -6.181 2.222 1.00 0.00 O ATOM 623 CB PHE A 163 7.581 -3.029 3.009 1.00 0.00 C ATOM 624 CG PHE A 163 9.020 -3.228 3.374 1.00 0.00 C ATOM 625 CD1 PHE A 163 9.405 -4.370 4.083 1.00 0.00 C ATOM 626 CD2 PHE A 163 9.964 -2.258 3.012 1.00 0.00 C ATOM 627 CE1 PHE A 163 10.756 -4.549 4.414 1.00 0.00 C ATOM 628 CE2 PHE A 163 11.309 -2.423 3.361 1.00 0.00 C ATOM 629 CZ PHE A 163 11.705 -3.574 4.053 1.00 0.00 C ATOM 0 H PHE A 163 5.109 -3.162 1.920 1.00 0.00 H new ATOM 0 HA PHE A 163 7.822 -4.009 1.077 1.00 0.00 H new ATOM 0 HB2 PHE A 163 7.430 -1.977 2.767 1.00 0.00 H new ATOM 0 HB3 PHE A 163 6.970 -3.245 3.886 1.00 0.00 H new ATOM 0 HD1 PHE A 163 8.670 -5.106 4.373 1.00 0.00 H new ATOM 0 HD2 PHE A 163 9.653 -1.382 2.463 1.00 0.00 H new ATOM 0 HE1 PHE A 163 11.068 -5.435 4.946 1.00 0.00 H new ATOM 0 HE2 PHE A 163 12.036 -1.669 3.099 1.00 0.00 H new ATOM 0 HZ PHE A 163 12.744 -3.715 4.311 1.00 0.00 H new ATOM 639 N CYS A 164 5.490 -5.428 2.854 1.00 0.00 N ATOM 640 CA CYS A 164 4.993 -6.732 3.273 1.00 0.00 C ATOM 641 C CYS A 164 3.562 -6.975 2.773 1.00 0.00 C ATOM 642 O CYS A 164 2.925 -7.970 3.113 1.00 0.00 O ATOM 643 CB CYS A 164 5.052 -6.794 4.793 1.00 0.00 C ATOM 644 SG CYS A 164 3.814 -5.670 5.458 1.00 0.00 S ATOM 0 H CYS A 164 4.829 -4.664 2.997 1.00 0.00 H new ATOM 0 HA CYS A 164 5.615 -7.515 2.839 1.00 0.00 H new ATOM 0 HB2 CYS A 164 4.865 -7.811 5.138 1.00 0.00 H new ATOM 0 HB3 CYS A 164 6.045 -6.515 5.145 1.00 0.00 H new ATOM 649 N GLN A 165 3.073 -6.038 1.957 1.00 0.00 N ATOM 650 CA GLN A 165 1.730 -6.022 1.387 1.00 0.00 C ATOM 651 C GLN A 165 0.631 -6.120 2.446 1.00 0.00 C ATOM 652 O GLN A 165 -0.480 -6.544 2.139 1.00 0.00 O ATOM 653 CB GLN A 165 1.593 -7.064 0.274 1.00 0.00 C ATOM 654 CG GLN A 165 2.478 -6.714 -0.926 1.00 0.00 C ATOM 655 CD GLN A 165 3.960 -6.936 -0.651 1.00 0.00 C ATOM 656 OE1 GLN A 165 4.407 -8.071 -0.511 1.00 0.00 O ATOM 657 NE2 GLN A 165 4.730 -5.856 -0.568 1.00 0.00 N ATOM 0 H GLN A 165 3.630 -5.235 1.665 1.00 0.00 H new ATOM 0 HA GLN A 165 1.585 -5.045 0.927 1.00 0.00 H new ATOM 0 HB2 GLN A 165 1.868 -8.047 0.657 1.00 0.00 H new ATOM 0 HB3 GLN A 165 0.552 -7.125 -0.044 1.00 0.00 H new ATOM 0 HG2 GLN A 165 2.177 -7.318 -1.782 1.00 0.00 H new ATOM 0 HG3 GLN A 165 2.316 -5.671 -1.199 1.00 0.00 H new ATOM 0 HE21 GLN A 165 4.323 -4.929 -0.690 1.00 0.00 H new ATOM 0 HE22 GLN A 165 5.728 -5.954 -0.382 1.00 0.00 H new ATOM 666 N SER A 166 0.927 -5.728 3.687 1.00 0.00 N ATOM 667 CA SER A 166 -0.063 -5.723 4.753 1.00 0.00 C ATOM 668 C SER A 166 -0.847 -4.412 4.753 1.00 0.00 C ATOM 669 O SER A 166 -0.286 -3.359 5.045 1.00 0.00 O ATOM 670 CB SER A 166 0.654 -5.886 6.092 1.00 0.00 C ATOM 671 OG SER A 166 1.382 -7.095 6.089 1.00 0.00 O ATOM 0 H SER A 166 1.852 -5.409 3.974 1.00 0.00 H new ATOM 0 HA SER A 166 -0.762 -6.544 4.595 1.00 0.00 H new ATOM 0 HB2 SER A 166 1.326 -5.045 6.262 1.00 0.00 H new ATOM 0 HB3 SER A 166 -0.070 -5.886 6.907 1.00 0.00 H new ATOM 0 HG SER A 166 2.184 -6.992 5.536 1.00 0.00 H new ATOM 677 N ILE A 167 -2.145 -4.477 4.427 1.00 0.00 N ATOM 678 CA ILE A 167 -3.055 -3.336 4.500 1.00 0.00 C ATOM 679 C ILE A 167 -3.244 -2.830 5.920 1.00 0.00 C ATOM 680 O ILE A 167 -3.720 -1.717 6.130 1.00 0.00 O ATOM 681 CB ILE A 167 -4.428 -3.741 3.952 1.00 0.00 C ATOM 682 CG1 ILE A 167 -4.994 -4.930 4.742 1.00 0.00 C ATOM 683 CG2 ILE A 167 -4.282 -4.086 2.475 1.00 0.00 C ATOM 684 CD1 ILE A 167 -6.090 -5.650 3.957 1.00 0.00 C ATOM 0 H ILE A 167 -2.593 -5.334 4.102 1.00 0.00 H new ATOM 0 HA ILE A 167 -2.609 -2.537 3.908 1.00 0.00 H new ATOM 0 HB ILE A 167 -5.128 -2.913 4.061 1.00 0.00 H new ATOM 0 HG12 ILE A 167 -4.191 -5.630 4.974 1.00 0.00 H new ATOM 0 HG13 ILE A 167 -5.396 -4.579 5.693 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -5.252 -4.376 2.072 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -3.909 -3.217 1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -3.580 -4.912 2.362 1.00 0.00 H new ATOM 0 HD11 ILE A 167 -6.469 -6.486 4.545 1.00 0.00 H new ATOM 0 HD12 ILE A 167 -6.904 -4.956 3.748 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -5.680 -6.023 3.018 1.00 0.00 H new ATOM 696 N SER A 168 -2.871 -3.653 6.894 1.00 0.00 N ATOM 697 CA SER A 168 -2.890 -3.309 8.302 1.00 0.00 C ATOM 698 C SER A 168 -2.151 -1.993 8.540 1.00 0.00 C ATOM 699 O SER A 168 -2.651 -1.117 9.246 1.00 0.00 O ATOM 700 CB SER A 168 -2.349 -4.481 9.112 1.00 0.00 C ATOM 701 OG SER A 168 -0.986 -4.707 8.820 1.00 0.00 O ATOM 0 H SER A 168 -2.539 -4.601 6.716 1.00 0.00 H new ATOM 0 HA SER A 168 -3.911 -3.135 8.642 1.00 0.00 H new ATOM 0 HB2 SER A 168 -2.469 -4.279 10.176 1.00 0.00 H new ATOM 0 HB3 SER A 168 -2.926 -5.379 8.891 1.00 0.00 H new ATOM 0 HG SER A 168 -0.658 -5.462 9.352 1.00 0.00 H new ATOM 707 N HIS A 169 -0.958 -1.857 7.956 1.00 0.00 N ATOM 708 CA HIS A 169 -0.101 -0.693 8.116 1.00 0.00 C ATOM 709 C HIS A 169 0.378 -0.195 6.752 1.00 0.00 C ATOM 710 O HIS A 169 -0.208 -0.504 5.719 1.00 0.00 O ATOM 711 CB HIS A 169 1.083 -1.040 9.027 1.00 0.00 C ATOM 712 CG HIS A 169 1.886 -2.232 8.579 1.00 0.00 C ATOM 713 ND1 HIS A 169 1.796 -3.506 9.092 1.00 0.00 N ATOM 714 CD2 HIS A 169 2.839 -2.266 7.597 1.00 0.00 C ATOM 715 CE1 HIS A 169 2.679 -4.280 8.440 1.00 0.00 C ATOM 716 NE2 HIS A 169 3.347 -3.565 7.514 1.00 0.00 N ATOM 0 H HIS A 169 -0.558 -2.571 7.347 1.00 0.00 H new ATOM 0 HA HIS A 169 -0.670 0.111 8.584 1.00 0.00 H new ATOM 0 HB2 HIS A 169 1.743 -0.175 9.089 1.00 0.00 H new ATOM 0 HB3 HIS A 169 0.708 -1.227 10.033 1.00 0.00 H new ATOM 0 HD1 HIS A 169 1.169 -3.809 9.837 1.00 0.00 H new ATOM 0 HD2 HIS A 169 3.147 -1.429 6.988 1.00 0.00 H new ATOM 0 HE1 HIS A 169 2.833 -5.332 8.632 1.00 0.00 H new ATOM 724 N MET A 170 1.457 0.592 6.758 1.00 0.00 N ATOM 725 CA MET A 170 2.090 1.116 5.561 1.00 0.00 C ATOM 726 C MET A 170 3.577 0.809 5.659 1.00 0.00 C ATOM 727 O MET A 170 4.078 0.557 6.752 1.00 0.00 O ATOM 728 CB MET A 170 1.905 2.634 5.522 1.00 0.00 C ATOM 729 CG MET A 170 0.445 3.066 5.438 1.00 0.00 C ATOM 730 SD MET A 170 -0.134 3.452 3.769 1.00 0.00 S ATOM 731 CE MET A 170 -0.163 1.800 3.037 1.00 0.00 C ATOM 0 H MET A 170 1.920 0.885 7.619 1.00 0.00 H new ATOM 0 HA MET A 170 1.654 0.671 4.666 1.00 0.00 H new ATOM 0 HB2 MET A 170 2.354 3.070 6.414 1.00 0.00 H new ATOM 0 HB3 MET A 170 2.445 3.036 4.665 1.00 0.00 H new ATOM 0 HG2 MET A 170 -0.179 2.273 5.850 1.00 0.00 H new ATOM 0 HG3 MET A 170 0.303 3.943 6.069 1.00 0.00 H new ATOM 0 HE1 MET A 170 -0.600 1.851 2.040 1.00 0.00 H new ATOM 0 HE2 MET A 170 0.854 1.415 2.968 1.00 0.00 H new ATOM 0 HE3 MET A 170 -0.761 1.136 3.661 1.00 0.00 H new ATOM 741 N VAL A 171 4.287 0.825 4.532 1.00 0.00 N ATOM 742 CA VAL A 171 5.730 0.677 4.566 1.00 0.00 C ATOM 743 C VAL A 171 6.332 1.762 5.440 1.00 0.00 C ATOM 744 O VAL A 171 7.440 1.619 5.955 1.00 0.00 O ATOM 745 CB VAL A 171 6.299 0.793 3.161 1.00 0.00 C ATOM 746 CG1 VAL A 171 6.223 2.241 2.693 1.00 0.00 C ATOM 747 CG2 VAL A 171 7.764 0.395 3.135 1.00 0.00 C ATOM 0 H VAL A 171 3.889 0.938 3.600 1.00 0.00 H new ATOM 0 HA VAL A 171 5.975 -0.303 4.974 1.00 0.00 H new ATOM 0 HB VAL A 171 5.717 0.135 2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 171 6.632 2.320 1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 171 5.183 2.568 2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 171 6.800 2.873 3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 171 8.148 0.486 2.119 1.00 0.00 H new ATOM 0 HG22 VAL A 171 8.331 1.049 3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 171 7.867 -0.637 3.470 1.00 0.00 H new ATOM 757 N ALA A 172 5.580 2.850 5.603 1.00 0.00 N ATOM 758 CA ALA A 172 5.988 3.967 6.413 1.00 0.00 C ATOM 759 C ALA A 172 6.137 3.554 7.879 1.00 0.00 C ATOM 760 O ALA A 172 6.672 4.297 8.696 1.00 0.00 O ATOM 761 CB ALA A 172 4.946 5.072 6.273 1.00 0.00 C ATOM 0 H ALA A 172 4.665 2.969 5.168 1.00 0.00 H new ATOM 0 HA ALA A 172 6.960 4.327 6.074 1.00 0.00 H new ATOM 0 HB1 ALA A 172 5.239 5.928 6.881 1.00 0.00 H new ATOM 0 HB2 ALA A 172 4.876 5.376 5.229 1.00 0.00 H new ATOM 0 HB3 ALA A 172 3.977 4.703 6.609 1.00 0.00 H new ATOM 767 N SER A 173 5.649 2.352 8.189 1.00 0.00 N ATOM 768 CA SER A 173 5.646 1.787 9.524 1.00 0.00 C ATOM 769 C SER A 173 5.935 0.287 9.498 1.00 0.00 C ATOM 770 O SER A 173 5.780 -0.368 10.528 1.00 0.00 O ATOM 771 CB SER A 173 4.269 2.006 10.147 1.00 0.00 C ATOM 772 OG SER A 173 4.390 2.085 11.549 1.00 0.00 O ATOM 0 H SER A 173 5.235 1.733 7.492 1.00 0.00 H new ATOM 0 HA SER A 173 6.426 2.279 10.106 1.00 0.00 H new ATOM 0 HB2 SER A 173 3.825 2.922 9.758 1.00 0.00 H new ATOM 0 HB3 SER A 173 3.602 1.188 9.875 1.00 0.00 H new ATOM 0 HG SER A 173 4.888 1.308 11.879 1.00 0.00 H new ATOM 778 N CYS A 174 6.340 -0.267 8.346 1.00 0.00 N ATOM 779 CA CYS A 174 6.475 -1.720 8.230 1.00 0.00 C ATOM 780 C CYS A 174 7.290 -2.275 9.399 1.00 0.00 C ATOM 781 O CYS A 174 8.360 -1.756 9.719 1.00 0.00 O ATOM 782 CB CYS A 174 7.099 -2.119 6.896 1.00 0.00 C ATOM 783 SG CYS A 174 6.809 -3.887 6.622 1.00 0.00 S ATOM 0 H CYS A 174 6.574 0.256 7.502 1.00 0.00 H new ATOM 0 HA CYS A 174 5.475 -2.153 8.266 1.00 0.00 H new ATOM 0 HB2 CYS A 174 6.663 -1.535 6.086 1.00 0.00 H new ATOM 0 HB3 CYS A 174 8.168 -1.908 6.901 1.00 0.00 H new ATOM 788 N PRO A 175 6.798 -3.335 10.048 1.00 0.00 N ATOM 789 CA PRO A 175 7.491 -3.967 11.154 1.00 0.00 C ATOM 790 C PRO A 175 8.690 -4.756 10.650 1.00 0.00 C ATOM 791 O PRO A 175 9.515 -5.183 11.456 1.00 0.00 O ATOM 792 CB PRO A 175 6.459 -4.892 11.780 1.00 0.00 C ATOM 793 CG PRO A 175 5.592 -5.292 10.593 1.00 0.00 C ATOM 794 CD PRO A 175 5.545 -4.009 9.777 1.00 0.00 C ATOM 0 HA PRO A 175 7.878 -3.242 11.870 1.00 0.00 H new ATOM 0 HB2 PRO A 175 6.925 -5.758 12.249 1.00 0.00 H new ATOM 0 HB3 PRO A 175 5.879 -4.386 12.551 1.00 0.00 H new ATOM 0 HG2 PRO A 175 6.030 -6.116 10.030 1.00 0.00 H new ATOM 0 HG3 PRO A 175 4.598 -5.612 10.905 1.00 0.00 H new ATOM 0 HD2 PRO A 175 5.436 -4.223 8.714 1.00 0.00 H new ATOM 0 HD3 PRO A 175 4.695 -3.390 10.066 1.00 0.00 H new ATOM 802 N LEU A 176 8.800 -4.958 9.333 1.00 0.00 N ATOM 803 CA LEU A 176 9.904 -5.700 8.763 1.00 0.00 C ATOM 804 C LEU A 176 11.071 -4.780 8.465 1.00 0.00 C ATOM 805 O LEU A 176 12.192 -5.065 8.874 1.00 0.00 O ATOM 806 CB LEU A 176 9.453 -6.355 7.460 1.00 0.00 C ATOM 807 CG LEU A 176 8.192 -7.186 7.652 1.00 0.00 C ATOM 808 CD1 LEU A 176 7.886 -7.872 6.330 1.00 0.00 C ATOM 809 CD2 LEU A 176 8.394 -8.228 8.745 1.00 0.00 C ATOM 0 H LEU A 176 8.129 -4.612 8.647 1.00 0.00 H new ATOM 0 HA LEU A 176 10.220 -6.456 9.482 1.00 0.00 H new ATOM 0 HB2 LEU A 176 9.270 -5.585 6.710 1.00 0.00 H new ATOM 0 HB3 LEU A 176 10.252 -6.990 7.077 1.00 0.00 H new ATOM 0 HG LEU A 176 7.365 -6.544 7.955 1.00 0.00 H new ATOM 0 HD11 LEU A 176 6.985 -8.477 6.434 1.00 0.00 H new ATOM 0 HD12 LEU A 176 7.730 -7.119 5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 176 8.723 -8.512 6.050 1.00 0.00 H new ATOM 0 HD21 LEU A 176 7.481 -8.811 8.866 1.00 0.00 H new ATOM 0 HD22 LEU A 176 9.214 -8.891 8.468 1.00 0.00 H new ATOM 0 HD23 LEU A 176 8.633 -7.729 9.684 1.00 0.00 H new ATOM 821 N LYS A 177 10.836 -3.668 7.760 1.00 0.00 N ATOM 822 CA LYS A 177 11.917 -2.777 7.363 1.00 0.00 C ATOM 823 C LYS A 177 12.734 -2.326 8.569 1.00 0.00 C ATOM 824 O LYS A 177 13.857 -1.857 8.409 1.00 0.00 O ATOM 825 CB LYS A 177 11.360 -1.580 6.598 1.00 0.00 C ATOM 826 CG LYS A 177 10.723 -0.593 7.562 1.00 0.00 C ATOM 827 CD LYS A 177 10.238 0.656 6.821 1.00 0.00 C ATOM 828 CE LYS A 177 11.379 1.615 6.485 1.00 0.00 C ATOM 829 NZ LYS A 177 11.801 2.375 7.673 1.00 0.00 N ATOM 0 H LYS A 177 9.909 -3.370 7.457 1.00 0.00 H new ATOM 0 HA LYS A 177 12.588 -3.327 6.703 1.00 0.00 H new ATOM 0 HB2 LYS A 177 12.159 -1.091 6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 177 10.622 -1.916 5.869 1.00 0.00 H new ATOM 0 HG2 LYS A 177 9.885 -1.067 8.073 1.00 0.00 H new ATOM 0 HG3 LYS A 177 11.444 -0.309 8.328 1.00 0.00 H new ATOM 0 HD2 LYS A 177 9.736 0.357 5.901 1.00 0.00 H new ATOM 0 HD3 LYS A 177 9.500 1.174 7.433 1.00 0.00 H new ATOM 0 HE2 LYS A 177 12.225 1.053 6.089 1.00 0.00 H new ATOM 0 HE3 LYS A 177 11.060 2.304 5.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 12.722 2.821 7.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 11.096 3.110 7.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 11.883 1.731 8.486 1.00 0.00 H new ATOM 843 N ALA A 178 12.167 -2.469 9.766 1.00 0.00 N ATOM 844 CA ALA A 178 12.797 -2.075 11.009 1.00 0.00 C ATOM 845 C ALA A 178 14.129 -2.782 11.237 1.00 0.00 C ATOM 846 O ALA A 178 14.922 -2.353 12.073 1.00 0.00 O ATOM 847 CB ALA A 178 11.839 -2.407 12.144 1.00 0.00 C ATOM 0 H ALA A 178 11.238 -2.871 9.893 1.00 0.00 H new ATOM 0 HA ALA A 178 13.011 -1.007 10.968 1.00 0.00 H new ATOM 0 HB1 ALA A 178 12.288 -2.120 13.095 1.00 0.00 H new ATOM 0 HB2 ALA A 178 10.906 -1.861 12.004 1.00 0.00 H new ATOM 0 HB3 ALA A 178 11.636 -3.478 12.147 1.00 0.00 H new ATOM 853 N GLN A 179 14.372 -3.857 10.487 1.00 0.00 N ATOM 854 CA GLN A 179 15.617 -4.597 10.554 1.00 0.00 C ATOM 855 C GLN A 179 16.013 -5.100 9.164 1.00 0.00 C ATOM 856 O GLN A 179 16.833 -6.007 9.045 1.00 0.00 O ATOM 857 CB GLN A 179 15.503 -5.730 11.576 1.00 0.00 C ATOM 858 CG GLN A 179 14.337 -6.675 11.286 1.00 0.00 C ATOM 859 CD GLN A 179 13.010 -6.187 11.858 1.00 0.00 C ATOM 860 OE1 GLN A 179 12.974 -5.418 12.810 1.00 0.00 O ATOM 861 NE2 GLN A 179 11.901 -6.636 11.274 1.00 0.00 N ATOM 0 H GLN A 179 13.704 -4.235 9.816 1.00 0.00 H new ATOM 0 HA GLN A 179 16.415 -3.936 10.893 1.00 0.00 H new ATOM 0 HB2 GLN A 179 16.432 -6.299 11.585 1.00 0.00 H new ATOM 0 HB3 GLN A 179 15.380 -5.304 12.572 1.00 0.00 H new ATOM 0 HG2 GLN A 179 14.237 -6.798 10.208 1.00 0.00 H new ATOM 0 HG3 GLN A 179 14.563 -7.658 11.699 1.00 0.00 H new ATOM 0 HE21 GLN A 179 11.965 -7.276 10.482 1.00 0.00 H new ATOM 0 HE22 GLN A 179 10.988 -6.340 11.618 1.00 0.00 H new ATOM 870 N GLN A 180 15.424 -4.514 8.111 1.00 0.00 N ATOM 871 CA GLN A 180 15.687 -4.919 6.728 1.00 0.00 C ATOM 872 C GLN A 180 16.068 -3.716 5.869 1.00 0.00 C ATOM 873 O GLN A 180 16.711 -3.876 4.832 1.00 0.00 O ATOM 874 CB GLN A 180 14.418 -5.526 6.126 1.00 0.00 C ATOM 875 CG GLN A 180 13.748 -6.576 7.001 1.00 0.00 C ATOM 876 CD GLN A 180 14.346 -7.964 6.804 1.00 0.00 C ATOM 877 OE1 GLN A 180 15.483 -8.231 7.187 1.00 0.00 O ATOM 878 NE2 GLN A 180 13.577 -8.863 6.196 1.00 0.00 N ATOM 0 H GLN A 180 14.755 -3.749 8.197 1.00 0.00 H new ATOM 0 HA GLN A 180 16.505 -5.639 6.741 1.00 0.00 H new ATOM 0 HB2 GLN A 180 13.705 -4.726 5.929 1.00 0.00 H new ATOM 0 HB3 GLN A 180 14.666 -5.976 5.165 1.00 0.00 H new ATOM 0 HG2 GLN A 180 13.844 -6.287 8.048 1.00 0.00 H new ATOM 0 HG3 GLN A 180 12.682 -6.607 6.775 1.00 0.00 H new ATOM 0 HE21 GLN A 180 12.638 -8.608 5.891 1.00 0.00 H new ATOM 0 HE22 GLN A 180 13.927 -9.808 6.035 1.00 0.00 H new ATOM 887 N GLY A 181 15.668 -2.514 6.292 1.00 0.00 N ATOM 888 CA GLY A 181 15.890 -1.297 5.534 1.00 0.00 C ATOM 889 C GLY A 181 15.271 -0.112 6.260 1.00 0.00 C ATOM 890 O GLY A 181 14.391 0.546 5.708 1.00 0.00 O ATOM 0 H GLY A 181 15.179 -2.365 7.175 1.00 0.00 H new ATOM 0 HA2 GLY A 181 16.959 -1.133 5.399 1.00 0.00 H new ATOM 0 HA3 GLY A 181 15.454 -1.393 4.540 1.00 0.00 H new ATOM 894 N PRO A 182 15.713 0.176 7.490 1.00 0.00 N ATOM 895 CA PRO A 182 15.118 1.211 8.325 1.00 0.00 C ATOM 896 C PRO A 182 15.281 2.603 7.713 1.00 0.00 C ATOM 897 O PRO A 182 14.589 3.523 8.140 1.00 0.00 O ATOM 898 CB PRO A 182 15.830 1.108 9.670 1.00 0.00 C ATOM 899 CG PRO A 182 17.179 0.477 9.319 1.00 0.00 C ATOM 900 CD PRO A 182 16.816 -0.470 8.179 1.00 0.00 C ATOM 0 HA PRO A 182 14.042 1.066 8.425 1.00 0.00 H new ATOM 0 HB2 PRO A 182 15.954 2.087 10.133 1.00 0.00 H new ATOM 0 HB3 PRO A 182 15.270 0.491 10.373 1.00 0.00 H new ATOM 0 HG2 PRO A 182 17.908 1.225 9.008 1.00 0.00 H new ATOM 0 HG3 PRO A 182 17.610 -0.055 10.167 1.00 0.00 H new ATOM 0 HD2 PRO A 182 17.663 -0.625 7.510 1.00 0.00 H new ATOM 0 HD3 PRO A 182 16.525 -1.450 8.557 1.00 0.00 H new ATOM 908 N SER A 183 16.179 2.727 6.728 1.00 0.00 N ATOM 909 CA SER A 183 16.460 3.952 5.989 1.00 0.00 C ATOM 910 C SER A 183 16.676 5.172 6.889 1.00 0.00 C ATOM 911 O SER A 183 16.828 5.050 8.106 1.00 0.00 O ATOM 912 CB SER A 183 15.364 4.174 4.940 1.00 0.00 C ATOM 913 OG SER A 183 14.127 4.495 5.539 1.00 0.00 O ATOM 0 H SER A 183 16.750 1.942 6.416 1.00 0.00 H new ATOM 0 HA SER A 183 17.414 3.826 5.478 1.00 0.00 H new ATOM 0 HB2 SER A 183 15.662 4.978 4.267 1.00 0.00 H new ATOM 0 HB3 SER A 183 15.253 3.275 4.334 1.00 0.00 H new ATOM 0 HG SER A 183 14.182 4.341 6.505 1.00 0.00 H new ATOM 919 N ALA A 184 16.696 6.363 6.285 1.00 0.00 N ATOM 920 CA ALA A 184 16.897 7.616 7.002 1.00 0.00 C ATOM 921 C ALA A 184 16.114 8.739 6.318 1.00 0.00 C ATOM 922 O ALA A 184 16.408 9.919 6.509 1.00 0.00 O ATOM 923 CB ALA A 184 18.391 7.930 7.050 1.00 0.00 C ATOM 0 H ALA A 184 16.572 6.481 5.279 1.00 0.00 H new ATOM 0 HA ALA A 184 16.527 7.526 8.023 1.00 0.00 H new ATOM 0 HB1 ALA A 184 18.549 8.866 7.585 1.00 0.00 H new ATOM 0 HB2 ALA A 184 18.916 7.125 7.565 1.00 0.00 H new ATOM 0 HB3 ALA A 184 18.776 8.023 6.035 1.00 0.00 H new ATOM 929 N GLN A 185 15.116 8.355 5.517 1.00 0.00 N ATOM 930 CA GLN A 185 14.324 9.261 4.699 1.00 0.00 C ATOM 931 C GLN A 185 13.361 10.125 5.516 1.00 0.00 C ATOM 932 O GLN A 185 12.569 10.873 4.945 1.00 0.00 O ATOM 933 CB GLN A 185 13.532 8.424 3.684 1.00 0.00 C ATOM 934 CG GLN A 185 14.446 7.580 2.785 1.00 0.00 C ATOM 935 CD GLN A 185 15.148 8.411 1.724 1.00 0.00 C ATOM 936 OE1 GLN A 185 15.232 9.631 1.820 1.00 0.00 O ATOM 937 NE2 GLN A 185 15.658 7.745 0.697 1.00 0.00 N ATOM 0 H GLN A 185 14.834 7.379 5.421 1.00 0.00 H new ATOM 0 HA GLN A 185 15.009 9.949 4.203 1.00 0.00 H new ATOM 0 HB2 GLN A 185 12.843 7.768 4.216 1.00 0.00 H new ATOM 0 HB3 GLN A 185 12.927 9.086 3.064 1.00 0.00 H new ATOM 0 HG2 GLN A 185 15.192 7.078 3.401 1.00 0.00 H new ATOM 0 HG3 GLN A 185 13.856 6.802 2.301 1.00 0.00 H new ATOM 0 HE21 GLN A 185 15.568 6.730 0.652 1.00 0.00 H new ATOM 0 HE22 GLN A 185 16.140 8.248 -0.048 1.00 0.00 H new ATOM 946 N GLY A 186 13.426 10.029 6.844 1.00 0.00 N ATOM 947 CA GLY A 186 12.535 10.748 7.740 1.00 0.00 C ATOM 948 C GLY A 186 13.115 10.796 9.147 1.00 0.00 C ATOM 949 O GLY A 186 13.268 9.711 9.740 1.00 0.00 O ATOM 950 OXT GLY A 186 13.403 11.923 9.610 1.00 0.00 O ATOM 0 H GLY A 186 14.107 9.443 7.328 1.00 0.00 H new ATOM 0 HA2 GLY A 186 12.379 11.761 7.370 1.00 0.00 H new ATOM 0 HA3 GLY A 186 11.560 10.262 7.759 1.00 0.00 H new TER 954 GLY A 186 ATOM 955 O5' A B 1 11.330 7.214 2.066 1.00 0.00 O ATOM 956 C5' A B 1 10.199 6.958 2.870 1.00 0.00 C ATOM 957 C4' A B 1 8.942 7.184 2.039 1.00 0.00 C ATOM 958 O4' A B 1 8.917 6.254 0.966 1.00 0.00 O ATOM 959 C3' A B 1 7.717 6.909 2.904 1.00 0.00 C ATOM 960 O3' A B 1 6.685 7.747 2.429 1.00 0.00 O ATOM 961 C2' A B 1 7.438 5.459 2.576 1.00 0.00 C ATOM 962 O2' A B 1 6.098 5.156 2.867 1.00 0.00 O ATOM 963 C1' A B 1 7.751 5.473 1.091 1.00 0.00 C ATOM 964 N9 A B 1 7.904 4.133 0.486 1.00 0.00 N ATOM 965 C8 A B 1 7.138 3.598 -0.519 1.00 0.00 C ATOM 966 N7 A B 1 7.491 2.395 -0.882 1.00 0.00 N ATOM 967 C5 A B 1 8.561 2.101 -0.039 1.00 0.00 C ATOM 968 C6 A B 1 9.375 0.964 0.105 1.00 0.00 C ATOM 969 N6 A B 1 9.253 -0.135 -0.642 1.00 0.00 N ATOM 970 N1 A B 1 10.322 0.974 1.048 1.00 0.00 N ATOM 971 C2 A B 1 10.449 2.044 1.817 1.00 0.00 C ATOM 972 N3 A B 1 9.767 3.186 1.779 1.00 0.00 N ATOM 973 C4 A B 1 8.816 3.147 0.814 1.00 0.00 C ATOM 0 H5' A B 1 10.199 7.614 3.740 1.00 0.00 H new ATOM 0 H5'' A B 1 10.225 5.934 3.243 1.00 0.00 H new ATOM 0 H4' A B 1 8.938 8.209 1.667 1.00 0.00 H new ATOM 0 H3' A B 1 7.824 7.085 3.974 1.00 0.00 H new ATOM 0 H2' A B 1 8.001 4.708 3.130 1.00 0.00 H new ATOM 0 HO2' A B 1 5.512 5.634 2.244 1.00 0.00 H new ATOM 0 HO5' A B 1 11.160 6.902 1.153 1.00 0.00 H new ATOM 0 H1' A B 1 6.912 5.891 0.535 1.00 0.00 H new ATOM 0 H8 A B 1 6.313 4.128 -0.971 1.00 0.00 H new ATOM 0 H61 A B 1 9.876 -0.928 -0.488 1.00 0.00 H new ATOM 0 H62 A B 1 8.537 -0.182 -1.367 1.00 0.00 H new ATOM 0 H2 A B 1 11.211 1.982 2.580 1.00 0.00 H new ATOM 986 P G B 2 5.836 8.680 3.419 1.00 0.00 P ATOM 987 OP1 G B 2 6.227 10.087 3.186 1.00 0.00 O ATOM 988 OP2 G B 2 5.926 8.118 4.785 1.00 0.00 O ATOM 989 O5' G B 2 4.326 8.477 2.908 1.00 0.00 O ATOM 990 C5' G B 2 3.803 9.239 1.838 1.00 0.00 C ATOM 991 C4' G B 2 2.388 8.778 1.491 1.00 0.00 C ATOM 992 O4' G B 2 2.413 7.607 0.694 1.00 0.00 O ATOM 993 C3' G B 2 1.543 8.510 2.737 1.00 0.00 C ATOM 994 O3' G B 2 0.748 9.651 3.006 1.00 0.00 O ATOM 995 C2' G B 2 0.723 7.278 2.365 1.00 0.00 C ATOM 996 O2' G B 2 -0.551 7.622 1.880 1.00 0.00 O ATOM 997 C1' G B 2 1.490 6.667 1.200 1.00 0.00 C ATOM 998 N9 G B 2 2.227 5.458 1.607 1.00 0.00 N ATOM 999 C8 G B 2 3.260 5.308 2.504 1.00 0.00 C ATOM 1000 N7 G B 2 3.610 4.073 2.670 1.00 0.00 N ATOM 1001 C5 G B 2 2.831 3.358 1.777 1.00 0.00 C ATOM 1002 C6 G B 2 2.841 1.977 1.463 1.00 0.00 C ATOM 1003 O6 G B 2 3.530 1.091 1.957 1.00 0.00 O ATOM 1004 N1 G B 2 1.939 1.656 0.477 1.00 0.00 N ATOM 1005 C2 G B 2 1.096 2.553 -0.130 1.00 0.00 C ATOM 1006 N2 G B 2 0.266 2.078 -1.055 1.00 0.00 N ATOM 1007 N3 G B 2 1.072 3.860 0.158 1.00 0.00 N ATOM 1008 C4 G B 2 1.977 4.198 1.111 1.00 0.00 C ATOM 0 H5' G B 2 4.448 9.140 0.965 1.00 0.00 H new ATOM 0 H5'' G B 2 3.791 10.295 2.108 1.00 0.00 H new ATOM 0 H4' G B 2 1.932 9.595 0.932 1.00 0.00 H new ATOM 0 H3' G B 2 2.115 8.328 3.647 1.00 0.00 H new ATOM 0 H2' G B 2 0.588 6.628 3.230 1.00 0.00 H new ATOM 0 HO2' G B 2 -1.184 7.666 2.626 1.00 0.00 H new ATOM 0 H1' G B 2 0.763 6.391 0.437 1.00 0.00 H new ATOM 0 H8 G B 2 3.730 6.135 3.016 1.00 0.00 H new ATOM 0 H1 G B 2 1.893 0.683 0.175 1.00 0.00 H new ATOM 0 H21 G B 2 -0.379 2.707 -1.533 1.00 0.00 H new ATOM 0 H22 G B 2 0.275 1.085 -1.286 1.00 0.00 H new ATOM 1020 P G B 3 -0.200 9.739 4.301 1.00 0.00 P ATOM 1021 OP1 G B 3 -0.122 11.116 4.823 1.00 0.00 O ATOM 1022 OP2 G B 3 0.105 8.602 5.195 1.00 0.00 O ATOM 1023 O5' G B 3 -1.681 9.513 3.712 1.00 0.00 O ATOM 1024 C5' G B 3 -2.308 10.485 2.894 1.00 0.00 C ATOM 1025 C4' G B 3 -2.043 10.174 1.418 1.00 0.00 C ATOM 1026 O4' G B 3 -2.740 8.970 1.110 1.00 0.00 O ATOM 1027 C3' G B 3 -2.620 11.267 0.516 1.00 0.00 C ATOM 1028 O3' G B 3 -1.869 11.346 -0.685 1.00 0.00 O ATOM 1029 C2' G B 3 -3.986 10.689 0.189 1.00 0.00 C ATOM 1030 O2' G B 3 -4.553 11.283 -0.964 1.00 0.00 O ATOM 1031 C1' G B 3 -3.593 9.227 0.008 1.00 0.00 C ATOM 1032 N9 G B 3 -4.765 8.332 -0.020 1.00 0.00 N ATOM 1033 C8 G B 3 -5.129 7.471 -1.022 1.00 0.00 C ATOM 1034 N7 G B 3 -6.256 6.849 -0.810 1.00 0.00 N ATOM 1035 C5 G B 3 -6.656 7.317 0.438 1.00 0.00 C ATOM 1036 C6 G B 3 -7.816 7.001 1.201 1.00 0.00 C ATOM 1037 O6 G B 3 -8.734 6.234 0.917 1.00 0.00 O ATOM 1038 N1 G B 3 -7.852 7.682 2.408 1.00 0.00 N ATOM 1039 C2 G B 3 -6.878 8.552 2.838 1.00 0.00 C ATOM 1040 N2 G B 3 -7.062 9.111 4.029 1.00 0.00 N ATOM 1041 N3 G B 3 -5.779 8.853 2.136 1.00 0.00 N ATOM 1042 C4 G B 3 -5.738 8.207 0.943 1.00 0.00 C ATOM 0 H5' G B 3 -1.930 11.478 3.139 1.00 0.00 H new ATOM 0 H5'' G B 3 -3.381 10.496 3.085 1.00 0.00 H new ATOM 0 H4' G B 3 -0.968 10.099 1.254 1.00 0.00 H new ATOM 0 H3' G B 3 -2.627 12.259 0.967 1.00 0.00 H new ATOM 0 H2' G B 3 -4.768 10.853 0.931 1.00 0.00 H new ATOM 0 HO2' G B 3 -4.346 10.735 -1.750 1.00 0.00 H new ATOM 0 H1' G B 3 -3.102 9.041 -0.947 1.00 0.00 H new ATOM 0 H8 G B 3 -4.534 7.320 -1.911 1.00 0.00 H new ATOM 0 H1 G B 3 -8.655 7.527 3.018 1.00 0.00 H new ATOM 0 H21 G B 3 -6.371 9.764 4.398 1.00 0.00 H new ATOM 0 H22 G B 3 -7.894 8.887 4.574 1.00 0.00 H new ATOM 1054 P A B 4 -0.566 12.275 -0.803 1.00 0.00 P ATOM 1055 OP1 A B 4 0.608 11.537 -0.295 1.00 0.00 O ATOM 1056 OP2 A B 4 -0.900 13.606 -0.249 1.00 0.00 O ATOM 1057 O5' A B 4 -0.410 12.422 -2.396 1.00 0.00 O ATOM 1058 C5' A B 4 -1.367 13.158 -3.127 1.00 0.00 C ATOM 1059 C4' A B 4 -1.090 13.089 -4.627 1.00 0.00 C ATOM 1060 O4' A B 4 -1.261 11.777 -5.145 1.00 0.00 O ATOM 1061 C3' A B 4 -2.139 13.955 -5.315 1.00 0.00 C ATOM 1062 O3' A B 4 -1.665 14.487 -6.539 1.00 0.00 O ATOM 1063 C2' A B 4 -3.273 12.973 -5.544 1.00 0.00 C ATOM 1064 O2' A B 4 -4.041 13.312 -6.680 1.00 0.00 O ATOM 1065 C1' A B 4 -2.567 11.633 -5.693 1.00 0.00 C ATOM 1066 N9 A B 4 -3.360 10.623 -4.982 1.00 0.00 N ATOM 1067 C8 A B 4 -3.387 10.363 -3.640 1.00 0.00 C ATOM 1068 N7 A B 4 -4.202 9.401 -3.305 1.00 0.00 N ATOM 1069 C5 A B 4 -4.784 9.022 -4.517 1.00 0.00 C ATOM 1070 C6 A B 4 -5.778 8.088 -4.866 1.00 0.00 C ATOM 1071 N6 A B 4 -6.387 7.274 -4.002 1.00 0.00 N ATOM 1072 N1 A B 4 -6.152 8.008 -6.148 1.00 0.00 N ATOM 1073 C2 A B 4 -5.576 8.801 -7.037 1.00 0.00 C ATOM 1074 N3 A B 4 -4.622 9.703 -6.852 1.00 0.00 N ATOM 1075 C4 A B 4 -4.269 9.763 -5.546 1.00 0.00 C ATOM 0 H5' A B 4 -1.357 14.198 -2.800 1.00 0.00 H new ATOM 0 H5'' A B 4 -2.364 12.769 -2.921 1.00 0.00 H new ATOM 0 H4' A B 4 -0.063 13.411 -4.800 1.00 0.00 H new ATOM 0 H3' A B 4 -2.426 14.828 -4.729 1.00 0.00 H new ATOM 0 H2' A B 4 -3.997 12.966 -4.729 1.00 0.00 H new ATOM 0 HO2' A B 4 -4.760 12.656 -6.796 1.00 0.00 H new ATOM 0 H1' A B 4 -2.474 11.318 -6.732 1.00 0.00 H new ATOM 0 H8 A B 4 -2.788 10.905 -2.923 1.00 0.00 H new ATOM 0 H61 A B 4 -7.099 6.622 -4.331 1.00 0.00 H new ATOM 0 H62 A B 4 -6.140 7.303 -3.013 1.00 0.00 H new ATOM 0 H2 A B 4 -5.931 8.700 -8.052 1.00 0.00 H new ATOM 1087 P G B 5 -0.885 15.891 -6.568 1.00 0.00 P ATOM 1088 OP1 G B 5 -1.462 16.764 -5.525 1.00 0.00 O ATOM 1089 OP2 G B 5 -0.850 16.354 -7.974 1.00 0.00 O ATOM 1090 O5' G B 5 0.611 15.514 -6.132 1.00 0.00 O ATOM 1091 C5' G B 5 1.563 15.174 -7.114 1.00 0.00 C ATOM 1092 C4' G B 5 2.781 14.505 -6.483 1.00 0.00 C ATOM 1093 O4' G B 5 2.365 13.296 -5.887 1.00 0.00 O ATOM 1094 C3' G B 5 3.777 14.159 -7.589 1.00 0.00 C ATOM 1095 O3' G B 5 5.077 14.011 -7.061 1.00 0.00 O ATOM 1096 C2' G B 5 3.237 12.811 -8.037 1.00 0.00 C ATOM 1097 O2' G B 5 4.224 12.045 -8.694 1.00 0.00 O ATOM 1098 C1' G B 5 2.812 12.228 -6.699 1.00 0.00 C ATOM 1099 N9 G B 5 1.765 11.212 -6.884 1.00 0.00 N ATOM 1100 C8 G B 5 0.583 11.316 -7.573 1.00 0.00 C ATOM 1101 N7 G B 5 -0.114 10.215 -7.599 1.00 0.00 N ATOM 1102 C5 G B 5 0.662 9.310 -6.871 1.00 0.00 C ATOM 1103 C6 G B 5 0.457 7.929 -6.591 1.00 0.00 C ATOM 1104 O6 G B 5 -0.496 7.220 -6.894 1.00 0.00 O ATOM 1105 N1 G B 5 1.515 7.382 -5.882 1.00 0.00 N ATOM 1106 C2 G B 5 2.597 8.088 -5.414 1.00 0.00 C ATOM 1107 N2 G B 5 3.489 7.424 -4.684 1.00 0.00 N ATOM 1108 N3 G B 5 2.795 9.384 -5.661 1.00 0.00 N ATOM 1109 C4 G B 5 1.800 9.924 -6.411 1.00 0.00 C ATOM 0 H5' G B 5 1.873 16.070 -7.651 1.00 0.00 H new ATOM 0 H5'' G B 5 1.113 14.503 -7.846 1.00 0.00 H new ATOM 0 H4' G B 5 3.235 15.169 -5.747 1.00 0.00 H new ATOM 0 H3' G B 5 3.861 14.909 -8.376 1.00 0.00 H new ATOM 0 H2' G B 5 2.434 12.852 -8.773 1.00 0.00 H new ATOM 0 HO2' G B 5 3.796 11.313 -9.185 1.00 0.00 H new ATOM 0 H1' G B 5 3.650 11.726 -6.215 1.00 0.00 H new ATOM 0 H8 G B 5 0.259 12.229 -8.051 1.00 0.00 H new ATOM 0 H1 G B 5 1.488 6.380 -5.693 1.00 0.00 H new ATOM 0 H21 G B 5 4.308 7.908 -4.316 1.00 0.00 H new ATOM 0 H22 G B 5 3.354 6.431 -4.493 1.00 0.00 H new ATOM 1121 P A B 6 6.074 15.260 -7.000 1.00 0.00 P ATOM 1122 OP1 A B 6 7.382 14.792 -6.497 1.00 0.00 O ATOM 1123 OP2 A B 6 5.386 16.391 -6.340 1.00 0.00 O ATOM 1124 O5' A B 6 6.215 15.608 -8.553 1.00 0.00 O ATOM 1125 C5' A B 6 6.634 14.632 -9.482 1.00 0.00 C ATOM 1126 C4' A B 6 6.390 15.188 -10.882 1.00 0.00 C ATOM 1127 O4' A B 6 7.428 16.089 -11.214 1.00 0.00 O ATOM 1128 C3' A B 6 6.408 14.073 -11.918 1.00 0.00 C ATOM 1129 O3' A B 6 5.596 14.539 -12.975 1.00 0.00 O ATOM 1130 C2' A B 6 7.890 14.033 -12.263 1.00 0.00 C ATOM 1131 O2' A B 6 8.167 13.399 -13.496 1.00 0.00 O ATOM 1132 C1' A B 6 8.185 15.528 -12.269 1.00 0.00 C ATOM 1133 N9 A B 6 9.623 15.826 -12.115 1.00 0.00 N ATOM 1134 C8 A B 6 10.707 15.048 -12.432 1.00 0.00 C ATOM 1135 N7 A B 6 11.859 15.597 -12.160 1.00 0.00 N ATOM 1136 C5 A B 6 11.510 16.845 -11.642 1.00 0.00 C ATOM 1137 C6 A B 6 12.263 17.929 -11.155 1.00 0.00 C ATOM 1138 N6 A B 6 13.594 17.937 -11.090 1.00 0.00 N ATOM 1139 N1 A B 6 11.610 19.022 -10.735 1.00 0.00 N ATOM 1140 C2 A B 6 10.288 19.032 -10.784 1.00 0.00 C ATOM 1141 N3 A B 6 9.463 18.084 -11.197 1.00 0.00 N ATOM 1142 C4 A B 6 10.149 16.998 -11.622 1.00 0.00 C ATOM 0 H5' A B 6 6.081 13.704 -9.337 1.00 0.00 H new ATOM 0 H5'' A B 6 7.690 14.399 -9.342 1.00 0.00 H new ATOM 0 H4' A B 6 5.418 15.681 -10.884 1.00 0.00 H new ATOM 0 H3' A B 6 6.040 13.086 -11.637 1.00 0.00 H new ATOM 0 H2' A B 6 8.504 13.445 -11.580 1.00 0.00 H new ATOM 0 HO2' A B 6 7.550 13.732 -14.181 1.00 0.00 H new ATOM 0 H1' A B 6 7.909 15.959 -13.231 1.00 0.00 H new ATOM 0 H8 A B 6 10.615 14.065 -12.869 1.00 0.00 H new ATOM 0 H61 A B 6 14.082 18.755 -10.726 1.00 0.00 H new ATOM 0 H62 A B 6 14.125 17.125 -11.404 1.00 0.00 H new ATOM 0 H2 A B 6 9.817 19.940 -10.439 1.00 0.00 H new ATOM 1154 P U B 7 5.055 13.578 -14.135 1.00 0.00 P ATOM 1155 OP1 U B 7 4.371 12.438 -13.492 1.00 0.00 O ATOM 1156 OP2 U B 7 6.148 13.324 -15.098 1.00 0.00 O ATOM 1157 O5' U B 7 3.939 14.478 -14.870 1.00 0.00 O ATOM 1158 C5' U B 7 4.288 15.569 -15.705 1.00 0.00 C ATOM 1159 C4' U B 7 4.611 16.835 -14.900 1.00 0.00 C ATOM 1160 O4' U B 7 5.921 16.757 -14.358 1.00 0.00 O ATOM 1161 C3' U B 7 4.598 18.049 -15.832 1.00 0.00 C ATOM 1162 O3' U B 7 4.284 19.217 -15.091 1.00 0.00 O ATOM 1163 C2' U B 7 6.047 18.093 -16.288 1.00 0.00 C ATOM 1164 O2' U B 7 6.429 19.368 -16.766 1.00 0.00 O ATOM 1165 C1' U B 7 6.742 17.731 -14.981 1.00 0.00 C ATOM 1166 N1 U B 7 8.116 17.236 -15.198 1.00 0.00 N ATOM 1167 C2 U B 7 9.163 18.075 -14.839 1.00 0.00 C ATOM 1168 O2 U B 7 8.981 19.198 -14.377 1.00 0.00 O ATOM 1169 N3 U B 7 10.439 17.577 -15.027 1.00 0.00 N ATOM 1170 C4 U B 7 10.752 16.329 -15.540 1.00 0.00 C ATOM 1171 O4 U B 7 11.927 15.982 -15.653 1.00 0.00 O ATOM 1172 C5 U B 7 9.609 15.532 -15.904 1.00 0.00 C ATOM 1173 C6 U B 7 8.347 15.994 -15.732 1.00 0.00 C ATOM 0 H5' U B 7 3.467 15.776 -16.391 1.00 0.00 H new ATOM 0 H5'' U B 7 5.151 15.297 -16.313 1.00 0.00 H new ATOM 0 H4' U B 7 3.869 16.926 -14.107 1.00 0.00 H new ATOM 0 H3' U B 7 3.874 17.991 -16.645 1.00 0.00 H new ATOM 0 H2' U B 7 6.280 17.441 -17.130 1.00 0.00 H new ATOM 0 HO2' U B 7 7.368 19.345 -17.045 1.00 0.00 H new ATOM 0 HO3' U B 7 4.904 19.936 -15.335 1.00 0.00 H new ATOM 0 H1' U B 7 6.859 18.610 -14.347 1.00 0.00 H new ATOM 0 H3 U B 7 11.218 18.181 -14.765 1.00 0.00 H new ATOM 0 H5 U B 7 9.761 14.548 -16.322 1.00 0.00 H new ATOM 0 H6 U B 7 7.510 15.375 -16.020 1.00 0.00 H new TER 1185 U B 7 HETATM 1186 ZN ZN A 187 -1.960 1.307 -10.094 1.00 0.00 ZN HETATM 1187 ZN ZN A 188 4.778 -3.858 5.964 1.00 0.00 ZN