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 134 SER OG : rot -82:sc= 1.18 USER MOD Set 1.2: B 6 A O2' : rot -39:sc= 0.443 USER MOD Set 2.1: A 159 LYS NZ :NH3+ 155:sc= 1.6 (180deg=0.879) USER MOD Set 2.2: B 2 G O2' : rot 20:sc= 1.14 USER MOD Set 3.1: A 150 LYS NZ :NH3+ 145:sc= 0.496 (180deg=0.0794) USER MOD Set 3.2: B 4 A O2' : rot 180:sc= 0.517 USER MOD Set 4.1: A 148 HIS :FLIP no HD1:sc= -0.0798 F(o=-0.89,f=0.082) USER MOD Set 4.2: B 5 G O2' : rot 25:sc= 0.162 USER MOD Set 5.1: A 135 LYS NZ :NH3+ -178:sc= 1.76 (180deg=1.15) USER MOD Set 5.2: A 140 TYR OH : rot -133:sc= 1.23 USER MOD Set 6.1: A 128 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 130 GLN : amide:sc= -1.78 K(o=-1.8,f=-3.5) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 ASN : amide:sc= -1.13 X(o=-1.1,f=-1.3) USER MOD Single : A 153 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0197) USER MOD Single : A 157 GLN : amide:sc= 0.395 X(o=0.4,f=-0.045) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-6.1!) USER MOD Single : A 165 GLN : amide:sc= -0.877 X(o=-0.88,f=-0.9) USER MOD Single : A 166 SER OG : rot 86:sc= 1.33 USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 170 MET CE :methyl 179:sc= -2.92 (180deg=-2.94) USER MOD Single : A 173 SER OG : rot -47:sc= 0.156 USER MOD Single : A 177 LYS NZ :NH3+ -119:sc= 0.418 (180deg=-0.000783) USER MOD Single : A 179 GLN : amide:sc= -0.407 K(o=-0.41,f=-2.5!) USER MOD Single : A 180 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 183 SER OG : rot -174:sc= 1.43 USER MOD Single : A 185 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 A O2' : rot 28:sc= -1.01 USER MOD Single : B 1 A O5' : rot 180:sc= 0 USER MOD Single : B 3 G O2' : rot 15:sc= 0.181 USER MOD Single : B 7 U O2' : rot 180:sc= 0 USER MOD Single : B 7 U O3' : rot 128:sc= 0.154 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 124 4.803 -12.633 -2.967 1.00 0.00 N ATOM 2 CA PRO A 124 5.612 -11.487 -3.409 1.00 0.00 C ATOM 3 C PRO A 124 6.822 -11.258 -2.508 1.00 0.00 C ATOM 4 O PRO A 124 6.711 -11.346 -1.286 1.00 0.00 O ATOM 5 CB PRO A 124 4.682 -10.273 -3.436 1.00 0.00 C ATOM 6 CG PRO A 124 3.272 -10.866 -3.518 1.00 0.00 C ATOM 7 CD PRO A 124 3.518 -12.370 -3.627 1.00 0.00 C ATOM 0 HA PRO A 124 6.026 -11.674 -4.400 1.00 0.00 H new ATOM 0 HB2 PRO A 124 4.803 -9.661 -2.542 1.00 0.00 H new ATOM 0 HB3 PRO A 124 4.892 -9.632 -4.292 1.00 0.00 H new ATOM 0 HG2 PRO A 124 2.682 -10.620 -2.635 1.00 0.00 H new ATOM 0 HG3 PRO A 124 2.727 -10.486 -4.382 1.00 0.00 H new ATOM 0 HD2 PRO A 124 2.715 -12.930 -3.148 1.00 0.00 H new ATOM 0 HD3 PRO A 124 3.547 -12.683 -4.671 1.00 0.00 H new ATOM 15 N LYS A 125 7.980 -10.964 -3.107 1.00 0.00 N ATOM 16 CA LYS A 125 9.187 -10.652 -2.355 1.00 0.00 C ATOM 17 C LYS A 125 10.167 -9.899 -3.243 1.00 0.00 C ATOM 18 O LYS A 125 10.319 -10.233 -4.419 1.00 0.00 O ATOM 19 CB LYS A 125 9.819 -11.948 -1.847 1.00 0.00 C ATOM 20 CG LYS A 125 11.012 -11.664 -0.936 1.00 0.00 C ATOM 21 CD LYS A 125 11.619 -12.964 -0.419 1.00 0.00 C ATOM 22 CE LYS A 125 10.590 -13.731 0.411 1.00 0.00 C ATOM 23 NZ LYS A 125 11.142 -15.006 0.900 1.00 0.00 N ATOM 0 H LYS A 125 8.101 -10.937 -4.119 1.00 0.00 H new ATOM 0 HA LYS A 125 8.933 -10.022 -1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 125 9.074 -12.530 -1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 125 10.141 -12.554 -2.694 1.00 0.00 H new ATOM 0 HG2 LYS A 125 11.766 -11.097 -1.482 1.00 0.00 H new ATOM 0 HG3 LYS A 125 10.695 -11.046 -0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 125 11.952 -13.577 -1.256 1.00 0.00 H new ATOM 0 HD3 LYS A 125 12.499 -12.748 0.187 1.00 0.00 H new ATOM 0 HE2 LYS A 125 10.274 -13.121 1.257 1.00 0.00 H new ATOM 0 HE3 LYS A 125 9.703 -13.924 -0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 10.421 -15.504 1.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 11.421 -15.597 0.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 11.974 -14.819 1.495 1.00 0.00 H new ATOM 37 N GLY A 126 10.833 -8.887 -2.681 1.00 0.00 N ATOM 38 CA GLY A 126 11.792 -8.085 -3.420 1.00 0.00 C ATOM 39 C GLY A 126 12.254 -6.879 -2.614 1.00 0.00 C ATOM 40 O GLY A 126 11.921 -6.745 -1.433 1.00 0.00 O ATOM 0 H GLY A 126 10.719 -8.607 -1.707 1.00 0.00 H new ATOM 0 HA2 GLY A 126 12.653 -8.699 -3.684 1.00 0.00 H new ATOM 0 HA3 GLY A 126 11.342 -7.748 -4.354 1.00 0.00 H new ATOM 44 N LYS A 127 13.030 -6.005 -3.257 1.00 0.00 N ATOM 45 CA LYS A 127 13.564 -4.789 -2.660 1.00 0.00 C ATOM 46 C LYS A 127 13.613 -3.688 -3.710 1.00 0.00 C ATOM 47 O LYS A 127 13.432 -3.946 -4.897 1.00 0.00 O ATOM 48 CB LYS A 127 14.981 -5.047 -2.139 1.00 0.00 C ATOM 49 CG LYS A 127 14.976 -6.045 -0.979 1.00 0.00 C ATOM 50 CD LYS A 127 16.389 -6.177 -0.420 1.00 0.00 C ATOM 51 CE LYS A 127 16.376 -7.027 0.849 1.00 0.00 C ATOM 52 NZ LYS A 127 17.687 -6.985 1.519 1.00 0.00 N ATOM 0 H LYS A 127 13.309 -6.130 -4.230 1.00 0.00 H new ATOM 0 HA LYS A 127 12.922 -4.484 -1.834 1.00 0.00 H new ATOM 0 HB2 LYS A 127 15.604 -5.430 -2.948 1.00 0.00 H new ATOM 0 HB3 LYS A 127 15.426 -4.108 -1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 127 14.294 -5.709 -0.198 1.00 0.00 H new ATOM 0 HG3 LYS A 127 14.616 -7.015 -1.321 1.00 0.00 H new ATOM 0 HD2 LYS A 127 17.042 -6.632 -1.165 1.00 0.00 H new ATOM 0 HD3 LYS A 127 16.795 -5.190 -0.201 1.00 0.00 H new ATOM 0 HE2 LYS A 127 15.604 -6.664 1.527 1.00 0.00 H new ATOM 0 HE3 LYS A 127 16.123 -8.057 0.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 17.656 -7.569 2.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 18.417 -7.353 0.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 17.914 -6.003 1.775 1.00 0.00 H new ATOM 66 N SER A 128 13.858 -2.453 -3.272 1.00 0.00 N ATOM 67 CA SER A 128 13.938 -1.317 -4.177 1.00 0.00 C ATOM 68 C SER A 128 14.879 -0.259 -3.614 1.00 0.00 C ATOM 69 O SER A 128 15.145 -0.236 -2.412 1.00 0.00 O ATOM 70 CB SER A 128 12.533 -0.747 -4.358 1.00 0.00 C ATOM 71 OG SER A 128 12.552 0.322 -5.278 1.00 0.00 O ATOM 0 H SER A 128 14.004 -2.218 -2.290 1.00 0.00 H new ATOM 0 HA SER A 128 14.333 -1.634 -5.142 1.00 0.00 H new ATOM 0 HB2 SER A 128 11.859 -1.528 -4.711 1.00 0.00 H new ATOM 0 HB3 SER A 128 12.147 -0.403 -3.399 1.00 0.00 H new ATOM 0 HG SER A 128 11.645 0.677 -5.386 1.00 0.00 H new ATOM 77 N MET A 129 15.387 0.624 -4.477 1.00 0.00 N ATOM 78 CA MET A 129 16.291 1.694 -4.074 1.00 0.00 C ATOM 79 C MET A 129 16.275 2.819 -5.098 1.00 0.00 C ATOM 80 O MET A 129 15.886 2.616 -6.247 1.00 0.00 O ATOM 81 CB MET A 129 17.707 1.129 -3.944 1.00 0.00 C ATOM 82 CG MET A 129 18.187 0.553 -5.277 1.00 0.00 C ATOM 83 SD MET A 129 19.848 -0.155 -5.218 1.00 0.00 S ATOM 84 CE MET A 129 19.925 -0.741 -6.928 1.00 0.00 C ATOM 0 H MET A 129 15.180 0.614 -5.476 1.00 0.00 H new ATOM 0 HA MET A 129 15.964 2.097 -3.116 1.00 0.00 H new ATOM 0 HB2 MET A 129 18.388 1.914 -3.616 1.00 0.00 H new ATOM 0 HB3 MET A 129 17.725 0.352 -3.180 1.00 0.00 H new ATOM 0 HG2 MET A 129 17.487 -0.217 -5.601 1.00 0.00 H new ATOM 0 HG3 MET A 129 18.166 1.341 -6.030 1.00 0.00 H new ATOM 0 HE1 MET A 129 20.888 -1.220 -7.106 1.00 0.00 H new ATOM 0 HE2 MET A 129 19.125 -1.460 -7.103 1.00 0.00 H new ATOM 0 HE3 MET A 129 19.809 0.103 -7.608 1.00 0.00 H new ATOM 94 N GLN A 130 16.703 4.009 -4.676 1.00 0.00 N ATOM 95 CA GLN A 130 16.787 5.181 -5.530 1.00 0.00 C ATOM 96 C GLN A 130 18.037 5.988 -5.188 1.00 0.00 C ATOM 97 O GLN A 130 18.696 5.725 -4.182 1.00 0.00 O ATOM 98 CB GLN A 130 15.537 6.051 -5.356 1.00 0.00 C ATOM 99 CG GLN A 130 14.277 5.354 -5.887 1.00 0.00 C ATOM 100 CD GLN A 130 13.659 4.357 -4.920 1.00 0.00 C ATOM 101 OE1 GLN A 130 13.981 4.318 -3.733 1.00 0.00 O ATOM 102 NE2 GLN A 130 12.749 3.528 -5.426 1.00 0.00 N ATOM 0 H GLN A 130 17.004 4.182 -3.717 1.00 0.00 H new ATOM 0 HA GLN A 130 16.848 4.856 -6.569 1.00 0.00 H new ATOM 0 HB2 GLN A 130 15.403 6.288 -4.300 1.00 0.00 H new ATOM 0 HB3 GLN A 130 15.677 6.997 -5.880 1.00 0.00 H new ATOM 0 HG2 GLN A 130 13.533 6.112 -6.134 1.00 0.00 H new ATOM 0 HG3 GLN A 130 14.525 4.837 -6.814 1.00 0.00 H new ATOM 0 HE21 GLN A 130 12.502 3.583 -6.414 1.00 0.00 H new ATOM 0 HE22 GLN A 130 12.299 2.837 -4.826 1.00 0.00 H new ATOM 111 N LYS A 131 18.349 6.978 -6.030 1.00 0.00 N ATOM 112 CA LYS A 131 19.512 7.847 -5.895 1.00 0.00 C ATOM 113 C LYS A 131 19.110 9.301 -6.134 1.00 0.00 C ATOM 114 O LYS A 131 19.957 10.145 -6.415 1.00 0.00 O ATOM 115 CB LYS A 131 20.601 7.406 -6.883 1.00 0.00 C ATOM 116 CG LYS A 131 21.151 6.008 -6.590 1.00 0.00 C ATOM 117 CD LYS A 131 21.830 5.903 -5.220 1.00 0.00 C ATOM 118 CE LYS A 131 22.995 6.884 -5.089 1.00 0.00 C ATOM 119 NZ LYS A 131 23.609 6.797 -3.757 1.00 0.00 N ATOM 0 H LYS A 131 17.780 7.200 -6.847 1.00 0.00 H new ATOM 0 HA LYS A 131 19.910 7.769 -4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 131 20.194 7.425 -7.894 1.00 0.00 H new ATOM 0 HB3 LYS A 131 21.420 8.125 -6.855 1.00 0.00 H new ATOM 0 HG2 LYS A 131 20.336 5.286 -6.641 1.00 0.00 H new ATOM 0 HG3 LYS A 131 21.867 5.736 -7.365 1.00 0.00 H new ATOM 0 HD2 LYS A 131 21.099 6.099 -4.436 1.00 0.00 H new ATOM 0 HD3 LYS A 131 22.192 4.886 -5.071 1.00 0.00 H new ATOM 0 HE2 LYS A 131 23.743 6.670 -5.853 1.00 0.00 H new ATOM 0 HE3 LYS A 131 22.641 7.900 -5.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 24.397 7.473 -3.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 22.899 7.024 -3.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 23.966 5.833 -3.602 1.00 0.00 H new ATOM 133 N ARG A 132 17.807 9.586 -6.027 1.00 0.00 N ATOM 134 CA ARG A 132 17.239 10.910 -6.261 1.00 0.00 C ATOM 135 C ARG A 132 16.209 11.223 -5.179 1.00 0.00 C ATOM 136 O ARG A 132 15.956 10.391 -4.307 1.00 0.00 O ATOM 137 CB ARG A 132 16.592 10.966 -7.638 1.00 0.00 C ATOM 138 CG ARG A 132 17.579 10.604 -8.748 1.00 0.00 C ATOM 139 CD ARG A 132 16.935 10.982 -10.077 1.00 0.00 C ATOM 140 NE ARG A 132 17.758 10.585 -11.220 1.00 0.00 N ATOM 141 CZ ARG A 132 17.641 9.412 -11.855 1.00 0.00 C ATOM 142 NH1 ARG A 132 16.743 8.508 -11.477 1.00 0.00 N ATOM 143 NH2 ARG A 132 18.434 9.141 -12.887 1.00 0.00 N ATOM 0 H ARG A 132 17.109 8.888 -5.771 1.00 0.00 H new ATOM 0 HA ARG A 132 18.034 11.654 -6.222 1.00 0.00 H new ATOM 0 HB2 ARG A 132 15.744 10.281 -7.669 1.00 0.00 H new ATOM 0 HB3 ARG A 132 16.199 11.967 -7.814 1.00 0.00 H new ATOM 0 HG2 ARG A 132 18.520 11.137 -8.613 1.00 0.00 H new ATOM 0 HG3 ARG A 132 17.810 9.539 -8.723 1.00 0.00 H new ATOM 0 HD2 ARG A 132 15.957 10.508 -10.153 1.00 0.00 H new ATOM 0 HD3 ARG A 132 16.770 12.059 -10.106 1.00 0.00 H new ATOM 0 HE ARG A 132 18.464 11.242 -11.553 1.00 0.00 H new ATOM 0 HH11 ARG A 132 16.125 8.701 -10.689 1.00 0.00 H new ATOM 0 HH12 ARG A 132 16.671 7.621 -11.975 1.00 0.00 H new ATOM 0 HH21 ARG A 132 19.127 9.825 -13.191 1.00 0.00 H new ATOM 0 HH22 ARG A 132 18.350 8.249 -13.375 1.00 0.00 H new ATOM 157 N ARG A 133 15.610 12.421 -5.233 1.00 0.00 N ATOM 158 CA ARG A 133 14.558 12.848 -4.309 1.00 0.00 C ATOM 159 C ARG A 133 13.255 12.080 -4.532 1.00 0.00 C ATOM 160 O ARG A 133 12.182 12.545 -4.150 1.00 0.00 O ATOM 161 CB ARG A 133 14.332 14.355 -4.431 1.00 0.00 C ATOM 162 CG ARG A 133 15.559 15.165 -4.009 1.00 0.00 C ATOM 163 CD ARG A 133 15.939 14.873 -2.560 1.00 0.00 C ATOM 164 NE ARG A 133 17.040 15.728 -2.116 1.00 0.00 N ATOM 165 CZ ARG A 133 17.794 15.476 -1.043 1.00 0.00 C ATOM 166 NH1 ARG A 133 17.572 14.400 -0.291 1.00 0.00 N ATOM 167 NH2 ARG A 133 18.776 16.304 -0.707 1.00 0.00 N ATOM 0 H ARG A 133 15.848 13.127 -5.930 1.00 0.00 H new ATOM 0 HA ARG A 133 14.891 12.621 -3.296 1.00 0.00 H new ATOM 0 HB2 ARG A 133 14.076 14.599 -5.462 1.00 0.00 H new ATOM 0 HB3 ARG A 133 13.480 14.643 -3.815 1.00 0.00 H new ATOM 0 HG2 ARG A 133 16.398 14.927 -4.663 1.00 0.00 H new ATOM 0 HG3 ARG A 133 15.354 16.229 -4.127 1.00 0.00 H new ATOM 0 HD2 ARG A 133 15.073 15.028 -1.916 1.00 0.00 H new ATOM 0 HD3 ARG A 133 16.226 13.826 -2.461 1.00 0.00 H new ATOM 0 HE ARG A 133 17.244 16.567 -2.659 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.818 13.756 -0.532 1.00 0.00 H new ATOM 0 HH12 ARG A 133 18.156 14.219 0.526 1.00 0.00 H new ATOM 0 HH21 ARG A 133 18.957 17.136 -1.269 1.00 0.00 H new ATOM 0 HH22 ARG A 133 19.350 16.108 0.113 1.00 0.00 H new ATOM 181 N SER A 134 13.350 10.901 -5.147 1.00 0.00 N ATOM 182 CA SER A 134 12.239 9.993 -5.375 1.00 0.00 C ATOM 183 C SER A 134 11.551 9.639 -4.060 1.00 0.00 C ATOM 184 O SER A 134 12.028 10.006 -2.987 1.00 0.00 O ATOM 185 CB SER A 134 12.779 8.718 -6.027 1.00 0.00 C ATOM 186 OG SER A 134 13.505 9.041 -7.187 1.00 0.00 O ATOM 0 H SER A 134 14.234 10.545 -5.510 1.00 0.00 H new ATOM 0 HA SER A 134 11.509 10.475 -6.025 1.00 0.00 H new ATOM 0 HB2 SER A 134 13.419 8.184 -5.325 1.00 0.00 H new ATOM 0 HB3 SER A 134 11.954 8.051 -6.278 1.00 0.00 H new ATOM 0 HG SER A 134 12.885 9.173 -7.935 1.00 0.00 H new ATOM 192 N LYS A 135 10.426 8.923 -4.128 1.00 0.00 N ATOM 193 CA LYS A 135 9.662 8.584 -2.932 1.00 0.00 C ATOM 194 C LYS A 135 9.282 7.100 -2.911 1.00 0.00 C ATOM 195 O LYS A 135 8.725 6.618 -1.930 1.00 0.00 O ATOM 196 CB LYS A 135 8.448 9.524 -2.859 1.00 0.00 C ATOM 197 CG LYS A 135 7.837 9.579 -1.462 1.00 0.00 C ATOM 198 CD LYS A 135 6.952 10.820 -1.317 1.00 0.00 C ATOM 199 CE LYS A 135 5.805 10.845 -2.324 1.00 0.00 C ATOM 200 NZ LYS A 135 4.759 9.867 -1.969 1.00 0.00 N ATOM 0 H LYS A 135 10.027 8.569 -4.998 1.00 0.00 H new ATOM 0 HA LYS A 135 10.268 8.731 -2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 135 8.750 10.527 -3.160 1.00 0.00 H new ATOM 0 HB3 LYS A 135 7.692 9.192 -3.570 1.00 0.00 H new ATOM 0 HG2 LYS A 135 7.247 8.680 -1.280 1.00 0.00 H new ATOM 0 HG3 LYS A 135 8.628 9.599 -0.712 1.00 0.00 H new ATOM 0 HD2 LYS A 135 6.544 10.855 -0.307 1.00 0.00 H new ATOM 0 HD3 LYS A 135 7.562 11.714 -1.445 1.00 0.00 H new ATOM 0 HE2 LYS A 135 5.373 11.845 -2.362 1.00 0.00 H new ATOM 0 HE3 LYS A 135 6.188 10.625 -3.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 4.009 9.883 -2.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 5.175 8.915 -1.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 4.354 10.112 -1.043 1.00 0.00 H new ATOM 214 N GLY A 136 9.587 6.383 -3.994 1.00 0.00 N ATOM 215 CA GLY A 136 9.416 4.938 -4.091 1.00 0.00 C ATOM 216 C GLY A 136 7.958 4.494 -4.162 1.00 0.00 C ATOM 217 O GLY A 136 7.688 3.311 -4.338 1.00 0.00 O ATOM 0 H GLY A 136 9.967 6.802 -4.843 1.00 0.00 H new ATOM 0 HA2 GLY A 136 9.939 4.578 -4.977 1.00 0.00 H new ATOM 0 HA3 GLY A 136 9.888 4.467 -3.229 1.00 0.00 H new ATOM 221 N ASP A 137 7.006 5.424 -4.028 1.00 0.00 N ATOM 222 CA ASP A 137 5.597 5.069 -4.067 1.00 0.00 C ATOM 223 C ASP A 137 5.156 4.615 -5.459 1.00 0.00 C ATOM 224 O ASP A 137 5.905 4.705 -6.432 1.00 0.00 O ATOM 225 CB ASP A 137 4.744 6.235 -3.575 1.00 0.00 C ATOM 226 CG ASP A 137 4.782 6.292 -2.057 1.00 0.00 C ATOM 227 OD1 ASP A 137 4.304 5.317 -1.440 1.00 0.00 O ATOM 228 OD2 ASP A 137 5.279 7.312 -1.534 1.00 0.00 O ATOM 0 H ASP A 137 7.191 6.418 -3.893 1.00 0.00 H new ATOM 0 HA ASP A 137 5.451 4.221 -3.398 1.00 0.00 H new ATOM 0 HB2 ASP A 137 5.114 7.171 -3.993 1.00 0.00 H new ATOM 0 HB3 ASP A 137 3.716 6.117 -3.919 1.00 0.00 H new ATOM 233 N ARG A 138 3.919 4.130 -5.525 1.00 0.00 N ATOM 234 CA ARG A 138 3.315 3.515 -6.697 1.00 0.00 C ATOM 235 C ARG A 138 1.872 4.003 -6.823 1.00 0.00 C ATOM 236 O ARG A 138 1.402 4.743 -5.962 1.00 0.00 O ATOM 237 CB ARG A 138 3.365 1.994 -6.493 1.00 0.00 C ATOM 238 CG ARG A 138 4.799 1.476 -6.620 1.00 0.00 C ATOM 239 CD ARG A 138 4.930 0.053 -6.098 1.00 0.00 C ATOM 240 NE ARG A 138 6.334 -0.368 -6.108 1.00 0.00 N ATOM 241 CZ ARG A 138 6.930 -1.094 -5.160 1.00 0.00 C ATOM 242 NH1 ARG A 138 6.258 -1.516 -4.095 1.00 0.00 N ATOM 243 NH2 ARG A 138 8.215 -1.402 -5.280 1.00 0.00 N ATOM 0 H ARG A 138 3.285 4.158 -4.727 1.00 0.00 H new ATOM 0 HA ARG A 138 3.845 3.781 -7.612 1.00 0.00 H new ATOM 0 HB2 ARG A 138 2.968 1.741 -5.510 1.00 0.00 H new ATOM 0 HB3 ARG A 138 2.729 1.503 -7.230 1.00 0.00 H new ATOM 0 HG2 ARG A 138 5.107 1.510 -7.665 1.00 0.00 H new ATOM 0 HG3 ARG A 138 5.473 2.130 -6.067 1.00 0.00 H new ATOM 0 HD2 ARG A 138 4.533 -0.007 -5.085 1.00 0.00 H new ATOM 0 HD3 ARG A 138 4.337 -0.623 -6.714 1.00 0.00 H new ATOM 0 HE ARG A 138 6.902 -0.082 -6.905 1.00 0.00 H new ATOM 0 HH11 ARG A 138 5.270 -1.286 -3.992 1.00 0.00 H new ATOM 0 HH12 ARG A 138 6.730 -2.070 -3.381 1.00 0.00 H new ATOM 0 HH21 ARG A 138 8.742 -1.084 -6.094 1.00 0.00 H new ATOM 0 HH22 ARG A 138 8.676 -1.957 -4.559 1.00 0.00 H new ATOM 257 N CYS A 139 1.175 3.592 -7.885 1.00 0.00 N ATOM 258 CA CYS A 139 -0.231 3.891 -8.107 1.00 0.00 C ATOM 259 C CYS A 139 -1.003 3.761 -6.790 1.00 0.00 C ATOM 260 O CYS A 139 -1.113 2.670 -6.233 1.00 0.00 O ATOM 261 CB CYS A 139 -0.761 2.952 -9.197 1.00 0.00 C ATOM 262 SG CYS A 139 -2.571 2.915 -9.204 1.00 0.00 S ATOM 0 H CYS A 139 1.588 3.029 -8.629 1.00 0.00 H new ATOM 0 HA CYS A 139 -0.364 4.917 -8.449 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -0.397 3.279 -10.171 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -0.374 1.946 -9.034 1.00 0.00 H new ATOM 267 N TYR A 140 -1.528 4.880 -6.290 1.00 0.00 N ATOM 268 CA TYR A 140 -2.257 4.918 -5.036 1.00 0.00 C ATOM 269 C TYR A 140 -3.602 4.198 -5.127 1.00 0.00 C ATOM 270 O TYR A 140 -4.371 4.235 -4.167 1.00 0.00 O ATOM 271 CB TYR A 140 -2.471 6.372 -4.603 1.00 0.00 C ATOM 272 CG TYR A 140 -1.204 7.132 -4.280 1.00 0.00 C ATOM 273 CD1 TYR A 140 -0.216 6.558 -3.468 1.00 0.00 C ATOM 274 CD2 TYR A 140 -1.024 8.425 -4.799 1.00 0.00 C ATOM 275 CE1 TYR A 140 0.951 7.276 -3.167 1.00 0.00 C ATOM 276 CE2 TYR A 140 0.136 9.152 -4.496 1.00 0.00 C ATOM 277 CZ TYR A 140 1.131 8.575 -3.679 1.00 0.00 C ATOM 278 OH TYR A 140 2.262 9.276 -3.384 1.00 0.00 O ATOM 0 H TYR A 140 -1.455 5.787 -6.751 1.00 0.00 H new ATOM 0 HA TYR A 140 -1.657 4.394 -4.292 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -3.001 6.898 -5.397 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -3.118 6.383 -3.726 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -0.353 5.562 -3.074 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -1.782 8.861 -5.434 1.00 0.00 H new ATOM 0 HE1 TYR A 140 1.712 6.832 -2.542 1.00 0.00 H new ATOM 0 HE2 TYR A 140 0.267 10.150 -4.887 1.00 0.00 H new ATOM 0 HH TYR A 140 2.021 10.186 -3.111 1.00 0.00 H new ATOM 288 N ASN A 141 -3.900 3.552 -6.256 1.00 0.00 N ATOM 289 CA ASN A 141 -5.176 2.884 -6.424 1.00 0.00 C ATOM 290 C ASN A 141 -5.020 1.375 -6.631 1.00 0.00 C ATOM 291 O ASN A 141 -5.951 0.637 -6.319 1.00 0.00 O ATOM 292 CB ASN A 141 -5.907 3.532 -7.602 1.00 0.00 C ATOM 293 CG ASN A 141 -7.335 3.035 -7.732 1.00 0.00 C ATOM 294 OD1 ASN A 141 -8.242 3.610 -7.135 1.00 0.00 O ATOM 295 ND2 ASN A 141 -7.540 1.978 -8.505 1.00 0.00 N ATOM 0 H ASN A 141 -3.274 3.482 -7.058 1.00 0.00 H new ATOM 0 HA ASN A 141 -5.759 3.001 -5.511 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -5.911 4.614 -7.474 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.365 3.322 -8.524 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -8.483 1.609 -8.624 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -6.755 1.534 -8.981 1.00 0.00 H new ATOM 302 N CYS A 142 -3.876 0.909 -7.151 1.00 0.00 N ATOM 303 CA CYS A 142 -3.617 -0.512 -7.293 1.00 0.00 C ATOM 304 C CYS A 142 -2.316 -0.912 -6.612 1.00 0.00 C ATOM 305 O CYS A 142 -2.240 -1.951 -5.957 1.00 0.00 O ATOM 306 CB CYS A 142 -3.660 -0.887 -8.771 1.00 0.00 C ATOM 307 SG CYS A 142 -2.121 -0.451 -9.607 1.00 0.00 S ATOM 0 H CYS A 142 -3.118 1.507 -7.479 1.00 0.00 H new ATOM 0 HA CYS A 142 -4.397 -1.078 -6.783 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -3.839 -1.957 -8.871 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -4.494 -0.378 -9.253 1.00 0.00 H new ATOM 312 N GLY A 143 -1.292 -0.073 -6.780 1.00 0.00 N ATOM 313 CA GLY A 143 0.034 -0.316 -6.248 1.00 0.00 C ATOM 314 C GLY A 143 1.039 -0.620 -7.358 1.00 0.00 C ATOM 315 O GLY A 143 2.125 -1.120 -7.073 1.00 0.00 O ATOM 0 H GLY A 143 -1.370 0.803 -7.297 1.00 0.00 H new ATOM 0 HA2 GLY A 143 0.366 0.556 -5.685 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -0.001 -1.152 -5.549 1.00 0.00 H new ATOM 319 N GLY A 144 0.700 -0.326 -8.617 1.00 0.00 N ATOM 320 CA GLY A 144 1.591 -0.547 -9.744 1.00 0.00 C ATOM 321 C GLY A 144 2.533 0.628 -9.941 1.00 0.00 C ATOM 322 O GLY A 144 2.266 1.732 -9.474 1.00 0.00 O ATOM 0 H GLY A 144 -0.203 0.072 -8.876 1.00 0.00 H new ATOM 0 HA2 GLY A 144 2.169 -1.456 -9.580 1.00 0.00 H new ATOM 0 HA3 GLY A 144 1.004 -0.701 -10.650 1.00 0.00 H new ATOM 326 N LEU A 145 3.647 0.411 -10.631 1.00 0.00 N ATOM 327 CA LEU A 145 4.735 1.383 -10.689 1.00 0.00 C ATOM 328 C LEU A 145 4.829 2.028 -12.064 1.00 0.00 C ATOM 329 O LEU A 145 5.384 3.117 -12.207 1.00 0.00 O ATOM 330 CB LEU A 145 6.079 0.723 -10.359 1.00 0.00 C ATOM 331 CG LEU A 145 6.072 -0.804 -10.466 1.00 0.00 C ATOM 332 CD1 LEU A 145 7.502 -1.322 -10.555 1.00 0.00 C ATOM 333 CD2 LEU A 145 5.432 -1.424 -9.221 1.00 0.00 C ATOM 0 H LEU A 145 3.822 -0.440 -11.165 1.00 0.00 H new ATOM 0 HA LEU A 145 4.514 2.151 -9.948 1.00 0.00 H new ATOM 0 HB2 LEU A 145 6.840 1.119 -11.031 1.00 0.00 H new ATOM 0 HB3 LEU A 145 6.370 1.004 -9.347 1.00 0.00 H new ATOM 0 HG LEU A 145 5.505 -1.077 -11.356 1.00 0.00 H new ATOM 0 HD11 LEU A 145 7.491 -2.409 -10.631 1.00 0.00 H new ATOM 0 HD12 LEU A 145 7.987 -0.902 -11.436 1.00 0.00 H new ATOM 0 HD13 LEU A 145 8.052 -1.026 -9.662 1.00 0.00 H new ATOM 0 HD21 LEU A 145 5.435 -2.510 -9.313 1.00 0.00 H new ATOM 0 HD22 LEU A 145 6.000 -1.133 -8.337 1.00 0.00 H new ATOM 0 HD23 LEU A 145 4.405 -1.071 -9.125 1.00 0.00 H new ATOM 345 N ASP A 146 4.287 1.363 -13.082 1.00 0.00 N ATOM 346 CA ASP A 146 4.325 1.851 -14.448 1.00 0.00 C ATOM 347 C ASP A 146 3.297 2.963 -14.673 1.00 0.00 C ATOM 348 O ASP A 146 3.224 3.530 -15.763 1.00 0.00 O ATOM 349 CB ASP A 146 4.060 0.660 -15.365 1.00 0.00 C ATOM 350 CG ASP A 146 3.973 1.063 -16.833 1.00 0.00 C ATOM 351 OD1 ASP A 146 5.010 1.503 -17.376 1.00 0.00 O ATOM 352 OD2 ASP A 146 2.862 0.929 -17.395 1.00 0.00 O ATOM 0 H ASP A 146 3.809 0.468 -12.976 1.00 0.00 H new ATOM 0 HA ASP A 146 5.300 2.288 -14.665 1.00 0.00 H new ATOM 0 HB2 ASP A 146 4.855 -0.075 -15.240 1.00 0.00 H new ATOM 0 HB3 ASP A 146 3.129 0.177 -15.068 1.00 0.00 H new ATOM 357 N HIS A 147 2.501 3.283 -13.652 1.00 0.00 N ATOM 358 CA HIS A 147 1.414 4.241 -13.789 1.00 0.00 C ATOM 359 C HIS A 147 1.029 4.844 -12.433 1.00 0.00 C ATOM 360 O HIS A 147 1.672 4.567 -11.425 1.00 0.00 O ATOM 361 CB HIS A 147 0.218 3.516 -14.409 1.00 0.00 C ATOM 362 CG HIS A 147 -0.338 2.426 -13.530 1.00 0.00 C ATOM 363 ND1 HIS A 147 0.161 1.154 -13.376 1.00 0.00 N ATOM 364 CD2 HIS A 147 -1.442 2.523 -12.724 1.00 0.00 C ATOM 365 CE1 HIS A 147 -0.624 0.506 -12.498 1.00 0.00 C ATOM 366 NE2 HIS A 147 -1.629 1.298 -12.081 1.00 0.00 N ATOM 0 H HIS A 147 2.594 2.887 -12.717 1.00 0.00 H new ATOM 0 HA HIS A 147 1.733 5.065 -14.428 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -0.569 4.241 -14.619 1.00 0.00 H new ATOM 0 HB3 HIS A 147 0.518 3.085 -15.364 1.00 0.00 H new ATOM 0 HD1 HIS A 147 0.981 0.770 -13.845 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -2.063 3.399 -12.606 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -0.469 -0.512 -12.172 1.00 0.00 H new ATOM 374 N HIS A 148 -0.021 5.662 -12.425 1.00 0.00 N ATOM 375 CA HIS A 148 -0.536 6.301 -11.222 1.00 0.00 C ATOM 376 C HIS A 148 -2.034 6.022 -11.069 1.00 0.00 C ATOM 377 O HIS A 148 -2.673 5.516 -11.988 1.00 0.00 O ATOM 378 CB HIS A 148 -0.262 7.803 -11.283 1.00 0.00 C ATOM 379 CG HIS A 148 1.192 8.154 -11.135 1.00 0.00 C ATOM 380 ND1 HIS A 148 2.051 7.586 -10.238 1.00 0.00 N flip ATOM 381 CD2 HIS A 148 1.873 9.119 -11.881 1.00 0.00 C flip ATOM 382 CE1 HIS A 148 3.267 8.200 -10.421 1.00 0.00 C flip ATOM 383 NE2 HIS A 148 3.130 9.110 -11.405 1.00 0.00 N flip ATOM 0 H HIS A 148 -0.544 5.901 -13.268 1.00 0.00 H new ATOM 0 HA HIS A 148 -0.029 5.889 -10.350 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -0.627 8.192 -12.234 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -0.829 8.300 -10.496 1.00 0.00 H new ATOM 0 HD2 HIS A 148 1.475 9.739 -12.671 1.00 0.00 H new ATOM 0 HE1 HIS A 148 4.173 7.990 -9.872 1.00 0.00 H new ATOM 0 HE2 HIS A 148 3.880 9.712 -11.744 1.00 0.00 H new ATOM 391 N ALA A 149 -2.585 6.359 -9.905 1.00 0.00 N ATOM 392 CA ALA A 149 -3.963 6.056 -9.557 1.00 0.00 C ATOM 393 C ALA A 149 -4.953 6.623 -10.573 1.00 0.00 C ATOM 394 O ALA A 149 -5.986 6.016 -10.847 1.00 0.00 O ATOM 395 CB ALA A 149 -4.233 6.622 -8.165 1.00 0.00 C ATOM 0 H ALA A 149 -2.078 6.855 -9.172 1.00 0.00 H new ATOM 0 HA ALA A 149 -4.103 4.975 -9.565 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -5.263 6.408 -7.879 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -3.554 6.162 -7.447 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -4.076 7.701 -8.174 1.00 0.00 H new ATOM 401 N LYS A 150 -4.632 7.791 -11.133 1.00 0.00 N ATOM 402 CA LYS A 150 -5.462 8.451 -12.133 1.00 0.00 C ATOM 403 C LYS A 150 -5.425 7.738 -13.479 1.00 0.00 C ATOM 404 O LYS A 150 -6.290 7.940 -14.331 1.00 0.00 O ATOM 405 CB LYS A 150 -4.969 9.883 -12.278 1.00 0.00 C ATOM 406 CG LYS A 150 -3.487 9.918 -12.678 1.00 0.00 C ATOM 407 CD LYS A 150 -2.910 11.304 -12.408 1.00 0.00 C ATOM 408 CE LYS A 150 -2.858 11.535 -10.903 1.00 0.00 C ATOM 409 NZ LYS A 150 -2.538 12.945 -10.600 1.00 0.00 N ATOM 0 H LYS A 150 -3.783 8.306 -10.901 1.00 0.00 H new ATOM 0 HA LYS A 150 -6.500 8.428 -11.802 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -5.564 10.402 -13.029 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.108 10.416 -11.337 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -2.932 9.167 -12.116 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -3.380 9.669 -13.734 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -1.911 11.386 -12.836 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.525 12.067 -12.885 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -3.817 11.271 -10.457 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -2.108 10.883 -10.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -3.048 13.240 -9.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -1.514 13.043 -10.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -2.826 13.546 -11.399 1.00 0.00 H new ATOM 423 N GLU A 151 -4.414 6.893 -13.667 1.00 0.00 N ATOM 424 CA GLU A 151 -4.249 6.100 -14.881 1.00 0.00 C ATOM 425 C GLU A 151 -4.691 4.661 -14.666 1.00 0.00 C ATOM 426 O GLU A 151 -4.771 3.883 -15.616 1.00 0.00 O ATOM 427 CB GLU A 151 -2.776 6.085 -15.296 1.00 0.00 C ATOM 428 CG GLU A 151 -2.154 7.479 -15.249 1.00 0.00 C ATOM 429 CD GLU A 151 -0.733 7.445 -15.784 1.00 0.00 C ATOM 430 OE1 GLU A 151 0.168 7.098 -14.993 1.00 0.00 O ATOM 431 OE2 GLU A 151 -0.554 7.761 -16.983 1.00 0.00 O ATOM 0 H GLU A 151 -3.681 6.739 -12.975 1.00 0.00 H new ATOM 0 HA GLU A 151 -4.866 6.556 -15.656 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -2.220 5.418 -14.637 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -2.688 5.682 -16.305 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -2.754 8.172 -15.839 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -2.154 7.850 -14.224 1.00 0.00 H new ATOM 438 N CYS A 152 -4.974 4.303 -13.412 1.00 0.00 N ATOM 439 CA CYS A 152 -5.361 2.960 -13.042 1.00 0.00 C ATOM 440 C CYS A 152 -6.653 2.531 -13.738 1.00 0.00 C ATOM 441 O CYS A 152 -7.393 3.373 -14.247 1.00 0.00 O ATOM 442 CB CYS A 152 -5.468 2.880 -11.524 1.00 0.00 C ATOM 443 SG CYS A 152 -5.047 1.192 -11.033 1.00 0.00 S ATOM 0 H CYS A 152 -4.938 4.951 -12.625 1.00 0.00 H new ATOM 0 HA CYS A 152 -4.598 2.258 -13.378 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -4.792 3.595 -11.055 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -6.477 3.133 -11.198 1.00 0.00 H new ATOM 448 N LYS A 153 -6.910 1.223 -13.749 1.00 0.00 N ATOM 449 CA LYS A 153 -7.988 0.637 -14.535 1.00 0.00 C ATOM 450 C LYS A 153 -8.870 -0.319 -13.738 1.00 0.00 C ATOM 451 O LYS A 153 -9.770 -0.946 -14.291 1.00 0.00 O ATOM 452 CB LYS A 153 -7.413 -0.050 -15.776 1.00 0.00 C ATOM 453 CG LYS A 153 -6.160 -0.882 -15.494 1.00 0.00 C ATOM 454 CD LYS A 153 -6.416 -2.075 -14.579 1.00 0.00 C ATOM 455 CE LYS A 153 -7.417 -3.059 -15.178 1.00 0.00 C ATOM 456 NZ LYS A 153 -6.868 -3.761 -16.346 1.00 0.00 N ATOM 0 H LYS A 153 -6.374 0.542 -13.211 1.00 0.00 H new ATOM 0 HA LYS A 153 -8.641 1.455 -14.840 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -8.177 -0.695 -16.210 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -7.175 0.708 -16.522 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -5.751 -1.240 -16.439 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -5.403 -0.242 -15.041 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -5.475 -2.590 -14.385 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -6.789 -1.720 -13.618 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -7.707 -3.787 -14.421 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -8.321 -2.524 -15.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -7.547 -4.479 -16.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -6.694 -3.078 -17.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -5.974 -4.223 -16.085 1.00 0.00 H new ATOM 470 N LEU A 154 -8.611 -0.422 -12.436 1.00 0.00 N ATOM 471 CA LEU A 154 -9.372 -1.271 -11.524 1.00 0.00 C ATOM 472 C LEU A 154 -10.017 -0.402 -10.437 1.00 0.00 C ATOM 473 O LEU A 154 -9.660 0.771 -10.310 1.00 0.00 O ATOM 474 CB LEU A 154 -8.463 -2.388 -10.976 1.00 0.00 C ATOM 475 CG LEU A 154 -7.056 -1.929 -10.617 1.00 0.00 C ATOM 476 CD1 LEU A 154 -7.164 -0.979 -9.440 1.00 0.00 C ATOM 477 CD2 LEU A 154 -6.223 -3.137 -10.216 1.00 0.00 C ATOM 0 H LEU A 154 -7.856 0.089 -11.979 1.00 0.00 H new ATOM 0 HA LEU A 154 -10.189 -1.771 -12.044 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -8.930 -2.819 -10.090 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -8.395 -3.183 -11.719 1.00 0.00 H new ATOM 0 HG LEU A 154 -6.584 -1.434 -11.466 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -6.169 -0.633 -9.159 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -7.781 -0.124 -9.718 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -7.620 -1.496 -8.596 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -5.214 -2.814 -9.958 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -6.680 -3.624 -9.354 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -6.177 -3.840 -11.048 1.00 0.00 H new ATOM 489 N PRO A 155 -10.956 -0.950 -9.652 1.00 0.00 N ATOM 490 CA PRO A 155 -11.610 -0.230 -8.571 1.00 0.00 C ATOM 491 C PRO A 155 -10.598 0.058 -7.460 1.00 0.00 C ATOM 492 O PRO A 155 -9.510 -0.507 -7.474 1.00 0.00 O ATOM 493 CB PRO A 155 -12.738 -1.147 -8.110 1.00 0.00 C ATOM 494 CG PRO A 155 -12.232 -2.541 -8.459 1.00 0.00 C ATOM 495 CD PRO A 155 -11.461 -2.304 -9.756 1.00 0.00 C ATOM 0 HA PRO A 155 -12.006 0.739 -8.875 1.00 0.00 H new ATOM 0 HB2 PRO A 155 -12.926 -1.045 -7.041 1.00 0.00 H new ATOM 0 HB3 PRO A 155 -13.673 -0.920 -8.622 1.00 0.00 H new ATOM 0 HG2 PRO A 155 -11.592 -2.947 -7.676 1.00 0.00 H new ATOM 0 HG3 PRO A 155 -13.052 -3.246 -8.598 1.00 0.00 H new ATOM 0 HD2 PRO A 155 -10.647 -3.021 -9.868 1.00 0.00 H new ATOM 0 HD3 PRO A 155 -12.108 -2.418 -10.626 1.00 0.00 H new ATOM 503 N PRO A 156 -10.918 0.922 -6.488 1.00 0.00 N ATOM 504 CA PRO A 156 -9.959 1.343 -5.486 1.00 0.00 C ATOM 505 C PRO A 156 -9.510 0.167 -4.625 1.00 0.00 C ATOM 506 O PRO A 156 -10.262 -0.324 -3.783 1.00 0.00 O ATOM 507 CB PRO A 156 -10.654 2.444 -4.690 1.00 0.00 C ATOM 508 CG PRO A 156 -12.142 2.159 -4.889 1.00 0.00 C ATOM 509 CD PRO A 156 -12.201 1.571 -6.297 1.00 0.00 C ATOM 0 HA PRO A 156 -9.038 1.724 -5.928 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -10.378 2.410 -3.636 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -10.384 3.434 -5.058 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -12.521 1.459 -4.144 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -12.740 3.067 -4.807 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -13.021 0.860 -6.393 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -12.365 2.349 -7.043 1.00 0.00 H new ATOM 517 N GLN A 157 -8.271 -0.282 -4.841 1.00 0.00 N ATOM 518 CA GLN A 157 -7.663 -1.335 -4.046 1.00 0.00 C ATOM 519 C GLN A 157 -7.113 -0.740 -2.755 1.00 0.00 C ATOM 520 O GLN A 157 -6.870 0.465 -2.676 1.00 0.00 O ATOM 521 CB GLN A 157 -6.491 -1.971 -4.798 1.00 0.00 C ATOM 522 CG GLN A 157 -6.892 -2.414 -6.198 1.00 0.00 C ATOM 523 CD GLN A 157 -7.987 -3.468 -6.181 1.00 0.00 C ATOM 524 OE1 GLN A 157 -7.903 -4.467 -5.472 1.00 0.00 O ATOM 525 NE2 GLN A 157 -9.027 -3.248 -6.973 1.00 0.00 N ATOM 0 H GLN A 157 -7.665 0.080 -5.577 1.00 0.00 H new ATOM 0 HA GLN A 157 -8.424 -2.087 -3.840 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -5.671 -1.256 -4.864 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -6.122 -2.829 -4.237 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -7.233 -1.549 -6.766 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -6.018 -2.810 -6.715 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -9.061 -2.406 -7.548 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -9.793 -3.921 -7.008 1.00 0.00 H new ATOM 534 N PRO A 158 -6.909 -1.573 -1.738 1.00 0.00 N ATOM 535 CA PRO A 158 -6.198 -1.167 -0.548 1.00 0.00 C ATOM 536 C PRO A 158 -4.717 -1.109 -0.873 1.00 0.00 C ATOM 537 O PRO A 158 -4.129 -2.090 -1.321 1.00 0.00 O ATOM 538 CB PRO A 158 -6.498 -2.245 0.482 1.00 0.00 C ATOM 539 CG PRO A 158 -6.717 -3.497 -0.371 1.00 0.00 C ATOM 540 CD PRO A 158 -7.298 -2.965 -1.682 1.00 0.00 C ATOM 0 HA PRO A 158 -6.493 -0.186 -0.176 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -5.672 -2.374 1.181 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -7.381 -2.002 1.073 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -5.783 -4.033 -0.539 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -7.401 -4.194 0.113 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -6.908 -3.517 -2.537 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -8.383 -3.071 -1.703 1.00 0.00 H new ATOM 548 N LYS A 159 -4.112 0.054 -0.644 1.00 0.00 N ATOM 549 CA LYS A 159 -2.689 0.238 -0.887 1.00 0.00 C ATOM 550 C LYS A 159 -1.918 -0.495 0.202 1.00 0.00 C ATOM 551 O LYS A 159 -1.937 -0.093 1.366 1.00 0.00 O ATOM 552 CB LYS A 159 -2.308 1.719 -1.015 1.00 0.00 C ATOM 553 CG LYS A 159 -3.062 2.704 -0.117 1.00 0.00 C ATOM 554 CD LYS A 159 -2.517 4.120 -0.326 1.00 0.00 C ATOM 555 CE LYS A 159 -1.590 4.543 0.811 1.00 0.00 C ATOM 556 NZ LYS A 159 -2.342 4.787 2.052 1.00 0.00 N ATOM 0 H LYS A 159 -4.589 0.883 -0.290 1.00 0.00 H new ATOM 0 HA LYS A 159 -2.420 -0.193 -1.851 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -1.243 1.815 -0.806 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -2.458 2.020 -2.052 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -4.127 2.677 -0.347 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -2.954 2.414 0.928 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -1.977 4.166 -1.272 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -3.347 4.822 -0.399 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -0.844 3.767 0.982 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -1.051 5.447 0.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -1.714 4.654 2.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -2.708 5.761 2.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -3.137 4.119 2.114 1.00 0.00 H new ATOM 570 N LYS A 160 -1.239 -1.577 -0.186 1.00 0.00 N ATOM 571 CA LYS A 160 -0.495 -2.431 0.726 1.00 0.00 C ATOM 572 C LYS A 160 0.867 -1.836 1.055 1.00 0.00 C ATOM 573 O LYS A 160 1.379 -0.977 0.334 1.00 0.00 O ATOM 574 CB LYS A 160 -0.284 -3.791 0.059 1.00 0.00 C ATOM 575 CG LYS A 160 -1.603 -4.521 -0.172 1.00 0.00 C ATOM 576 CD LYS A 160 -1.470 -5.552 -1.289 1.00 0.00 C ATOM 577 CE LYS A 160 -2.688 -5.397 -2.202 1.00 0.00 C ATOM 578 NZ LYS A 160 -2.638 -6.357 -3.318 1.00 0.00 N ATOM 0 H LYS A 160 -1.194 -1.884 -1.158 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.064 -2.528 1.651 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.226 -3.653 -0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.366 -4.404 0.683 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -1.915 -5.015 0.748 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.381 -3.801 -0.427 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -0.548 -5.395 -1.849 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -1.425 -6.560 -0.877 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -3.600 -5.551 -1.626 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -2.726 -4.381 -2.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -3.475 -6.231 -3.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -1.778 -6.192 -3.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -2.625 -7.326 -2.942 1.00 0.00 H new ATOM 592 N CYS A 161 1.450 -2.309 2.157 1.00 0.00 N ATOM 593 CA CYS A 161 2.803 -1.984 2.559 1.00 0.00 C ATOM 594 C CYS A 161 3.775 -2.357 1.432 1.00 0.00 C ATOM 595 O CYS A 161 3.742 -3.476 0.926 1.00 0.00 O ATOM 596 CB CYS A 161 3.066 -2.770 3.847 1.00 0.00 C ATOM 597 SG CYS A 161 4.767 -2.584 4.422 1.00 0.00 S ATOM 0 H CYS A 161 0.978 -2.941 2.803 1.00 0.00 H new ATOM 0 HA CYS A 161 2.943 -0.919 2.745 1.00 0.00 H new ATOM 0 HB2 CYS A 161 2.382 -2.430 4.625 1.00 0.00 H new ATOM 0 HB3 CYS A 161 2.855 -3.826 3.676 1.00 0.00 H new ATOM 602 N HIS A 162 4.645 -1.422 1.033 1.00 0.00 N ATOM 603 CA HIS A 162 5.664 -1.652 0.008 1.00 0.00 C ATOM 604 C HIS A 162 6.742 -2.607 0.509 1.00 0.00 C ATOM 605 O HIS A 162 7.775 -2.763 -0.140 1.00 0.00 O ATOM 606 CB HIS A 162 6.335 -0.326 -0.372 1.00 0.00 C ATOM 607 CG HIS A 162 5.456 0.655 -1.104 1.00 0.00 C ATOM 608 ND1 HIS A 162 4.538 0.333 -2.110 1.00 0.00 N ATOM 609 CD2 HIS A 162 5.449 2.005 -0.901 1.00 0.00 C ATOM 610 CE1 HIS A 162 4.007 1.511 -2.488 1.00 0.00 C ATOM 611 NE2 HIS A 162 4.525 2.524 -1.774 1.00 0.00 N ATOM 0 H HIS A 162 4.660 -0.477 1.417 1.00 0.00 H new ATOM 0 HA HIS A 162 5.167 -2.090 -0.858 1.00 0.00 H new ATOM 0 HB2 HIS A 162 6.703 0.149 0.537 1.00 0.00 H new ATOM 0 HB3 HIS A 162 7.204 -0.543 -0.993 1.00 0.00 H new ATOM 0 HD2 HIS A 162 6.051 2.556 -0.194 1.00 0.00 H new ATOM 0 HE1 HIS A 162 3.263 1.626 -3.263 1.00 0.00 H new ATOM 0 HE2 HIS A 162 4.275 3.509 -1.865 1.00 0.00 H new ATOM 619 N PHE A 163 6.519 -3.243 1.661 1.00 0.00 N ATOM 620 CA PHE A 163 7.564 -3.981 2.343 1.00 0.00 C ATOM 621 C PHE A 163 7.133 -5.377 2.755 1.00 0.00 C ATOM 622 O PHE A 163 7.927 -6.315 2.680 1.00 0.00 O ATOM 623 CB PHE A 163 7.894 -3.165 3.583 1.00 0.00 C ATOM 624 CG PHE A 163 9.291 -3.331 4.107 1.00 0.00 C ATOM 625 CD1 PHE A 163 9.620 -4.448 4.877 1.00 0.00 C ATOM 626 CD2 PHE A 163 10.248 -2.352 3.817 1.00 0.00 C ATOM 627 CE1 PHE A 163 10.941 -4.602 5.330 1.00 0.00 C ATOM 628 CE2 PHE A 163 11.553 -2.493 4.281 1.00 0.00 C ATOM 629 CZ PHE A 163 11.905 -3.629 5.022 1.00 0.00 C ATOM 0 H PHE A 163 5.617 -3.257 2.137 1.00 0.00 H new ATOM 0 HA PHE A 163 8.416 -4.117 1.677 1.00 0.00 H new ATOM 0 HB2 PHE A 163 7.731 -2.111 3.358 1.00 0.00 H new ATOM 0 HB3 PHE A 163 7.193 -3.435 4.373 1.00 0.00 H new ATOM 0 HD1 PHE A 163 8.869 -5.184 5.121 1.00 0.00 H new ATOM 0 HD2 PHE A 163 9.974 -1.486 3.233 1.00 0.00 H new ATOM 0 HE1 PHE A 163 11.215 -5.468 5.915 1.00 0.00 H new ATOM 0 HE2 PHE A 163 12.290 -1.732 4.071 1.00 0.00 H new ATOM 0 HZ PHE A 163 12.923 -3.757 5.358 1.00 0.00 H new ATOM 639 N CYS A 164 5.876 -5.521 3.188 1.00 0.00 N ATOM 640 CA CYS A 164 5.330 -6.812 3.577 1.00 0.00 C ATOM 641 C CYS A 164 3.951 -7.043 2.954 1.00 0.00 C ATOM 642 O CYS A 164 3.283 -8.032 3.236 1.00 0.00 O ATOM 643 CB CYS A 164 5.255 -6.827 5.089 1.00 0.00 C ATOM 644 SG CYS A 164 3.979 -5.659 5.591 1.00 0.00 S ATOM 0 H CYS A 164 5.217 -4.747 3.276 1.00 0.00 H new ATOM 0 HA CYS A 164 5.968 -7.619 3.217 1.00 0.00 H new ATOM 0 HB2 CYS A 164 5.019 -7.828 5.449 1.00 0.00 H new ATOM 0 HB3 CYS A 164 6.217 -6.551 5.522 1.00 0.00 H new ATOM 649 N GLN A 165 3.539 -6.108 2.095 1.00 0.00 N ATOM 650 CA GLN A 165 2.250 -6.092 1.415 1.00 0.00 C ATOM 651 C GLN A 165 1.063 -6.187 2.382 1.00 0.00 C ATOM 652 O GLN A 165 -0.023 -6.606 1.985 1.00 0.00 O ATOM 653 CB GLN A 165 2.191 -7.143 0.302 1.00 0.00 C ATOM 654 CG GLN A 165 3.109 -6.785 -0.870 1.00 0.00 C ATOM 655 CD GLN A 165 4.592 -6.876 -0.510 1.00 0.00 C ATOM 656 OE1 GLN A 165 5.148 -7.967 -0.403 1.00 0.00 O ATOM 657 NE2 GLN A 165 5.245 -5.734 -0.314 1.00 0.00 N ATOM 0 H GLN A 165 4.122 -5.309 1.846 1.00 0.00 H new ATOM 0 HA GLN A 165 2.157 -5.116 0.939 1.00 0.00 H new ATOM 0 HB2 GLN A 165 2.478 -8.115 0.704 1.00 0.00 H new ATOM 0 HB3 GLN A 165 1.165 -7.236 -0.055 1.00 0.00 H new ATOM 0 HG2 GLN A 165 2.901 -7.453 -1.706 1.00 0.00 H new ATOM 0 HG3 GLN A 165 2.883 -5.773 -1.207 1.00 0.00 H new ATOM 0 HE21 GLN A 165 4.756 -4.844 -0.410 1.00 0.00 H new ATOM 0 HE22 GLN A 165 6.235 -5.748 -0.068 1.00 0.00 H new ATOM 666 N SER A 166 1.259 -5.807 3.647 1.00 0.00 N ATOM 667 CA SER A 166 0.193 -5.806 4.637 1.00 0.00 C ATOM 668 C SER A 166 -0.602 -4.499 4.581 1.00 0.00 C ATOM 669 O SER A 166 -0.085 -3.446 4.950 1.00 0.00 O ATOM 670 CB SER A 166 0.810 -5.961 6.029 1.00 0.00 C ATOM 671 OG SER A 166 1.551 -7.165 6.097 1.00 0.00 O ATOM 0 H SER A 166 2.160 -5.493 4.007 1.00 0.00 H new ATOM 0 HA SER A 166 -0.485 -6.633 4.425 1.00 0.00 H new ATOM 0 HB2 SER A 166 1.459 -5.112 6.245 1.00 0.00 H new ATOM 0 HB3 SER A 166 0.025 -5.964 6.786 1.00 0.00 H new ATOM 0 HG SER A 166 2.460 -7.009 5.765 1.00 0.00 H new ATOM 677 N ILE A 167 -1.855 -4.567 4.126 1.00 0.00 N ATOM 678 CA ILE A 167 -2.773 -3.431 4.114 1.00 0.00 C ATOM 679 C ILE A 167 -3.070 -2.912 5.519 1.00 0.00 C ATOM 680 O ILE A 167 -3.532 -1.783 5.673 1.00 0.00 O ATOM 681 CB ILE A 167 -4.100 -3.844 3.475 1.00 0.00 C ATOM 682 CG1 ILE A 167 -4.703 -5.023 4.244 1.00 0.00 C ATOM 683 CG2 ILE A 167 -3.845 -4.221 2.027 1.00 0.00 C ATOM 684 CD1 ILE A 167 -5.765 -5.734 3.422 1.00 0.00 C ATOM 0 H ILE A 167 -2.263 -5.423 3.752 1.00 0.00 H new ATOM 0 HA ILE A 167 -2.288 -2.639 3.543 1.00 0.00 H new ATOM 0 HB ILE A 167 -4.809 -3.017 3.513 1.00 0.00 H new ATOM 0 HG12 ILE A 167 -3.915 -5.727 4.511 1.00 0.00 H new ATOM 0 HG13 ILE A 167 -5.140 -4.666 5.176 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -4.783 -4.518 1.558 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -3.429 -3.365 1.496 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -3.140 -5.051 1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 167 -6.173 -6.566 3.996 1.00 0.00 H new ATOM 0 HD12 ILE A 167 -6.565 -5.035 3.178 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -5.320 -6.112 2.502 1.00 0.00 H new ATOM 696 N SER A 168 -2.805 -3.737 6.530 1.00 0.00 N ATOM 697 CA SER A 168 -2.921 -3.375 7.933 1.00 0.00 C ATOM 698 C SER A 168 -2.251 -2.030 8.190 1.00 0.00 C ATOM 699 O SER A 168 -2.830 -1.154 8.832 1.00 0.00 O ATOM 700 CB SER A 168 -2.329 -4.487 8.792 1.00 0.00 C ATOM 701 OG SER A 168 -2.423 -4.144 10.155 1.00 0.00 O ATOM 0 H SER A 168 -2.496 -4.699 6.388 1.00 0.00 H new ATOM 0 HA SER A 168 -3.971 -3.264 8.203 1.00 0.00 H new ATOM 0 HB2 SER A 168 -2.858 -5.422 8.606 1.00 0.00 H new ATOM 0 HB3 SER A 168 -1.286 -4.651 8.521 1.00 0.00 H new ATOM 0 HG SER A 168 -2.042 -4.864 10.700 1.00 0.00 H new ATOM 707 N HIS A 169 -1.019 -1.879 7.691 1.00 0.00 N ATOM 708 CA HIS A 169 -0.205 -0.690 7.881 1.00 0.00 C ATOM 709 C HIS A 169 0.369 -0.226 6.541 1.00 0.00 C ATOM 710 O HIS A 169 -0.144 -0.569 5.475 1.00 0.00 O ATOM 711 CB HIS A 169 0.898 -1.009 8.891 1.00 0.00 C ATOM 712 CG HIS A 169 1.748 -2.195 8.511 1.00 0.00 C ATOM 713 ND1 HIS A 169 1.661 -3.454 9.051 1.00 0.00 N ATOM 714 CD2 HIS A 169 2.747 -2.229 7.576 1.00 0.00 C ATOM 715 CE1 HIS A 169 2.583 -4.222 8.451 1.00 0.00 C ATOM 716 NE2 HIS A 169 3.280 -3.517 7.541 1.00 0.00 N ATOM 0 H HIS A 169 -0.558 -2.598 7.134 1.00 0.00 H new ATOM 0 HA HIS A 169 -0.811 0.127 8.272 1.00 0.00 H new ATOM 0 HB2 HIS A 169 1.540 -0.135 9.002 1.00 0.00 H new ATOM 0 HB3 HIS A 169 0.444 -1.197 9.864 1.00 0.00 H new ATOM 0 HD1 HIS A 169 1.011 -3.752 9.779 1.00 0.00 H new ATOM 0 HD2 HIS A 169 3.069 -1.397 6.967 1.00 0.00 H new ATOM 0 HE1 HIS A 169 2.744 -5.267 8.669 1.00 0.00 H new ATOM 724 N MET A 170 1.441 0.560 6.592 1.00 0.00 N ATOM 725 CA MET A 170 2.161 1.041 5.429 1.00 0.00 C ATOM 726 C MET A 170 3.638 0.784 5.677 1.00 0.00 C ATOM 727 O MET A 170 4.034 0.550 6.819 1.00 0.00 O ATOM 728 CB MET A 170 1.953 2.548 5.295 1.00 0.00 C ATOM 729 CG MET A 170 0.502 2.951 5.049 1.00 0.00 C ATOM 730 SD MET A 170 0.053 3.223 3.314 1.00 0.00 S ATOM 731 CE MET A 170 0.230 1.551 2.652 1.00 0.00 C ATOM 0 H MET A 170 1.840 0.886 7.472 1.00 0.00 H new ATOM 0 HA MET A 170 1.812 0.541 4.526 1.00 0.00 H new ATOM 0 HB2 MET A 170 2.307 3.036 6.203 1.00 0.00 H new ATOM 0 HB3 MET A 170 2.567 2.918 4.474 1.00 0.00 H new ATOM 0 HG2 MET A 170 -0.147 2.176 5.457 1.00 0.00 H new ATOM 0 HG3 MET A 170 0.297 3.865 5.607 1.00 0.00 H new ATOM 0 HE1 MET A 170 -0.030 1.549 1.593 1.00 0.00 H new ATOM 0 HE2 MET A 170 1.261 1.219 2.773 1.00 0.00 H new ATOM 0 HE3 MET A 170 -0.434 0.875 3.190 1.00 0.00 H new ATOM 741 N VAL A 171 4.471 0.822 4.640 1.00 0.00 N ATOM 742 CA VAL A 171 5.914 0.704 4.823 1.00 0.00 C ATOM 743 C VAL A 171 6.385 1.830 5.725 1.00 0.00 C ATOM 744 O VAL A 171 7.433 1.739 6.356 1.00 0.00 O ATOM 745 CB VAL A 171 6.622 0.769 3.477 1.00 0.00 C ATOM 746 CG1 VAL A 171 6.585 2.191 2.950 1.00 0.00 C ATOM 747 CG2 VAL A 171 8.081 0.371 3.607 1.00 0.00 C ATOM 0 H VAL A 171 4.174 0.933 3.671 1.00 0.00 H new ATOM 0 HA VAL A 171 6.150 -0.255 5.283 1.00 0.00 H new ATOM 0 HB VAL A 171 6.110 0.083 2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 171 7.092 2.235 1.986 1.00 0.00 H new ATOM 0 HG12 VAL A 171 5.549 2.507 2.829 1.00 0.00 H new ATOM 0 HG13 VAL A 171 7.087 2.854 3.655 1.00 0.00 H new ATOM 0 HG21 VAL A 171 8.562 0.427 2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 171 8.583 1.049 4.298 1.00 0.00 H new ATOM 0 HG23 VAL A 171 8.148 -0.649 3.987 1.00 0.00 H new ATOM 757 N ALA A 172 5.590 2.898 5.777 1.00 0.00 N ATOM 758 CA ALA A 172 5.863 4.021 6.637 1.00 0.00 C ATOM 759 C ALA A 172 5.763 3.632 8.109 1.00 0.00 C ATOM 760 O ALA A 172 6.074 4.423 8.997 1.00 0.00 O ATOM 761 CB ALA A 172 4.861 5.114 6.315 1.00 0.00 C ATOM 0 H ALA A 172 4.742 2.997 5.220 1.00 0.00 H new ATOM 0 HA ALA A 172 6.881 4.370 6.464 1.00 0.00 H new ATOM 0 HB1 ALA A 172 5.047 5.977 6.954 1.00 0.00 H new ATOM 0 HB2 ALA A 172 4.965 5.407 5.270 1.00 0.00 H new ATOM 0 HB3 ALA A 172 3.851 4.744 6.489 1.00 0.00 H new ATOM 767 N SER A 173 5.319 2.397 8.350 1.00 0.00 N ATOM 768 CA SER A 173 5.090 1.845 9.671 1.00 0.00 C ATOM 769 C SER A 173 5.381 0.346 9.711 1.00 0.00 C ATOM 770 O SER A 173 5.032 -0.316 10.689 1.00 0.00 O ATOM 771 CB SER A 173 3.626 2.076 10.020 1.00 0.00 C ATOM 772 OG SER A 173 3.406 1.978 11.411 1.00 0.00 O ATOM 0 H SER A 173 5.104 1.738 7.601 1.00 0.00 H new ATOM 0 HA SER A 173 5.756 2.333 10.383 1.00 0.00 H new ATOM 0 HB2 SER A 173 3.318 3.061 9.670 1.00 0.00 H new ATOM 0 HB3 SER A 173 3.007 1.345 9.500 1.00 0.00 H new ATOM 0 HG SER A 173 3.851 1.176 11.757 1.00 0.00 H new ATOM 778 N CYS A 174 6.010 -0.204 8.663 1.00 0.00 N ATOM 779 CA CYS A 174 6.220 -1.652 8.604 1.00 0.00 C ATOM 780 C CYS A 174 6.920 -2.134 9.874 1.00 0.00 C ATOM 781 O CYS A 174 7.926 -1.553 10.277 1.00 0.00 O ATOM 782 CB CYS A 174 7.005 -2.055 7.360 1.00 0.00 C ATOM 783 SG CYS A 174 6.795 -3.834 7.086 1.00 0.00 S ATOM 0 H CYS A 174 6.373 0.318 7.865 1.00 0.00 H new ATOM 0 HA CYS A 174 5.244 -2.133 8.538 1.00 0.00 H new ATOM 0 HB2 CYS A 174 6.652 -1.496 6.494 1.00 0.00 H new ATOM 0 HB3 CYS A 174 8.061 -1.815 7.486 1.00 0.00 H new ATOM 788 N PRO A 175 6.410 -3.187 10.516 1.00 0.00 N ATOM 789 CA PRO A 175 7.005 -3.753 11.712 1.00 0.00 C ATOM 790 C PRO A 175 8.269 -4.517 11.355 1.00 0.00 C ATOM 791 O PRO A 175 9.068 -4.818 12.244 1.00 0.00 O ATOM 792 CB PRO A 175 5.952 -4.711 12.255 1.00 0.00 C ATOM 793 CG PRO A 175 5.218 -5.167 10.996 1.00 0.00 C ATOM 794 CD PRO A 175 5.217 -3.912 10.137 1.00 0.00 C ATOM 0 HA PRO A 175 7.283 -2.988 12.437 1.00 0.00 H new ATOM 0 HB2 PRO A 175 6.404 -5.550 12.784 1.00 0.00 H new ATOM 0 HB3 PRO A 175 5.280 -4.216 12.957 1.00 0.00 H new ATOM 0 HG2 PRO A 175 5.731 -5.994 10.505 1.00 0.00 H new ATOM 0 HG3 PRO A 175 4.206 -5.507 11.218 1.00 0.00 H new ATOM 0 HD2 PRO A 175 5.229 -4.162 9.076 1.00 0.00 H new ATOM 0 HD3 PRO A 175 4.322 -3.316 10.314 1.00 0.00 H new ATOM 802 N LEU A 176 8.467 -4.833 10.070 1.00 0.00 N ATOM 803 CA LEU A 176 9.633 -5.578 9.642 1.00 0.00 C ATOM 804 C LEU A 176 10.817 -4.643 9.488 1.00 0.00 C ATOM 805 O LEU A 176 11.861 -4.865 10.092 1.00 0.00 O ATOM 806 CB LEU A 176 9.360 -6.237 8.292 1.00 0.00 C ATOM 807 CG LEU A 176 8.100 -7.097 8.315 1.00 0.00 C ATOM 808 CD1 LEU A 176 7.981 -7.778 6.962 1.00 0.00 C ATOM 809 CD2 LEU A 176 8.206 -8.139 9.415 1.00 0.00 C ATOM 0 H LEU A 176 7.828 -4.580 9.316 1.00 0.00 H new ATOM 0 HA LEU A 176 9.854 -6.338 10.392 1.00 0.00 H new ATOM 0 HB2 LEU A 176 9.258 -5.467 7.528 1.00 0.00 H new ATOM 0 HB3 LEU A 176 10.214 -6.854 8.011 1.00 0.00 H new ATOM 0 HG LEU A 176 7.221 -6.483 8.510 1.00 0.00 H new ATOM 0 HD11 LEU A 176 7.088 -8.402 6.946 1.00 0.00 H new ATOM 0 HD12 LEU A 176 7.910 -7.023 6.179 1.00 0.00 H new ATOM 0 HD13 LEU A 176 8.860 -8.399 6.788 1.00 0.00 H new ATOM 0 HD21 LEU A 176 7.303 -8.750 9.426 1.00 0.00 H new ATOM 0 HD22 LEU A 176 9.072 -8.775 9.232 1.00 0.00 H new ATOM 0 HD23 LEU A 176 8.319 -7.641 10.378 1.00 0.00 H new ATOM 821 N LYS A 177 10.662 -3.590 8.682 1.00 0.00 N ATOM 822 CA LYS A 177 11.765 -2.696 8.365 1.00 0.00 C ATOM 823 C LYS A 177 12.398 -2.110 9.613 1.00 0.00 C ATOM 824 O LYS A 177 13.498 -1.567 9.549 1.00 0.00 O ATOM 825 CB LYS A 177 11.279 -1.591 7.438 1.00 0.00 C ATOM 826 CG LYS A 177 10.481 -0.580 8.238 1.00 0.00 C ATOM 827 CD LYS A 177 9.955 0.511 7.312 1.00 0.00 C ATOM 828 CE LYS A 177 11.058 1.372 6.699 1.00 0.00 C ATOM 829 NZ LYS A 177 11.599 2.340 7.669 1.00 0.00 N ATOM 0 H LYS A 177 9.778 -3.340 8.238 1.00 0.00 H new ATOM 0 HA LYS A 177 12.537 -3.278 7.861 1.00 0.00 H new ATOM 0 HB2 LYS A 177 12.128 -1.104 6.958 1.00 0.00 H new ATOM 0 HB3 LYS A 177 10.662 -2.012 6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 177 9.650 -1.075 8.741 1.00 0.00 H new ATOM 0 HG3 LYS A 177 11.107 -0.140 9.014 1.00 0.00 H new ATOM 0 HD2 LYS A 177 9.377 0.050 6.511 1.00 0.00 H new ATOM 0 HD3 LYS A 177 9.272 1.152 7.869 1.00 0.00 H new ATOM 0 HE2 LYS A 177 11.862 0.730 6.339 1.00 0.00 H new ATOM 0 HE3 LYS A 177 10.664 1.906 5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 11.440 3.307 7.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 11.120 2.219 8.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 12.619 2.178 7.788 1.00 0.00 H new ATOM 843 N ALA A 178 11.712 -2.212 10.751 1.00 0.00 N ATOM 844 CA ALA A 178 12.224 -1.717 12.007 1.00 0.00 C ATOM 845 C ALA A 178 13.553 -2.372 12.369 1.00 0.00 C ATOM 846 O ALA A 178 14.288 -1.876 13.221 1.00 0.00 O ATOM 847 CB ALA A 178 11.184 -2.013 13.084 1.00 0.00 C ATOM 0 H ALA A 178 10.789 -2.641 10.817 1.00 0.00 H new ATOM 0 HA ALA A 178 12.407 -0.645 11.926 1.00 0.00 H new ATOM 0 HB1 ALA A 178 11.544 -1.650 14.047 1.00 0.00 H new ATOM 0 HB2 ALA A 178 10.248 -1.513 12.834 1.00 0.00 H new ATOM 0 HB3 ALA A 178 11.016 -3.088 13.142 1.00 0.00 H new ATOM 853 N GLN A 179 13.860 -3.494 11.717 1.00 0.00 N ATOM 854 CA GLN A 179 15.105 -4.209 11.894 1.00 0.00 C ATOM 855 C GLN A 179 15.615 -4.725 10.549 1.00 0.00 C ATOM 856 O GLN A 179 16.426 -5.651 10.505 1.00 0.00 O ATOM 857 CB GLN A 179 14.915 -5.333 12.921 1.00 0.00 C ATOM 858 CG GLN A 179 13.797 -6.303 12.526 1.00 0.00 C ATOM 859 CD GLN A 179 12.425 -5.867 13.020 1.00 0.00 C ATOM 860 OE1 GLN A 179 12.297 -5.069 13.949 1.00 0.00 O ATOM 861 NE2 GLN A 179 11.373 -6.386 12.394 1.00 0.00 N ATOM 0 H GLN A 179 13.233 -3.931 11.041 1.00 0.00 H new ATOM 0 HA GLN A 179 15.867 -3.534 12.284 1.00 0.00 H new ATOM 0 HB2 GLN A 179 15.849 -5.884 13.029 1.00 0.00 H new ATOM 0 HB3 GLN A 179 14.687 -4.898 13.894 1.00 0.00 H new ATOM 0 HG2 GLN A 179 13.773 -6.397 11.440 1.00 0.00 H new ATOM 0 HG3 GLN A 179 14.023 -7.291 12.926 1.00 0.00 H new ATOM 0 HE21 GLN A 179 11.510 -7.045 11.627 1.00 0.00 H new ATOM 0 HE22 GLN A 179 10.429 -6.125 12.680 1.00 0.00 H new ATOM 870 N GLN A 180 15.150 -4.126 9.446 1.00 0.00 N ATOM 871 CA GLN A 180 15.580 -4.495 8.101 1.00 0.00 C ATOM 872 C GLN A 180 15.914 -3.268 7.255 1.00 0.00 C ATOM 873 O GLN A 180 16.514 -3.395 6.192 1.00 0.00 O ATOM 874 CB GLN A 180 14.463 -5.260 7.388 1.00 0.00 C ATOM 875 CG GLN A 180 13.791 -6.313 8.261 1.00 0.00 C ATOM 876 CD GLN A 180 14.663 -7.547 8.469 1.00 0.00 C ATOM 877 OE1 GLN A 180 15.765 -7.642 7.940 1.00 0.00 O ATOM 878 NE2 GLN A 180 14.166 -8.505 9.239 1.00 0.00 N ATOM 0 H GLN A 180 14.464 -3.371 9.466 1.00 0.00 H new ATOM 0 HA GLN A 180 16.473 -5.111 8.210 1.00 0.00 H new ATOM 0 HB2 GLN A 180 13.710 -4.551 7.045 1.00 0.00 H new ATOM 0 HB3 GLN A 180 14.874 -5.743 6.501 1.00 0.00 H new ATOM 0 HG2 GLN A 180 13.550 -5.876 9.230 1.00 0.00 H new ATOM 0 HG3 GLN A 180 12.848 -6.612 7.802 1.00 0.00 H new ATOM 0 HE21 GLN A 180 13.245 -8.392 9.663 1.00 0.00 H new ATOM 0 HE22 GLN A 180 14.704 -9.355 9.407 1.00 0.00 H new ATOM 887 N GLY A 181 15.523 -2.080 7.725 1.00 0.00 N ATOM 888 CA GLY A 181 15.723 -0.827 7.014 1.00 0.00 C ATOM 889 C GLY A 181 15.034 0.321 7.746 1.00 0.00 C ATOM 890 O GLY A 181 14.154 0.971 7.175 1.00 0.00 O ATOM 0 H GLY A 181 15.053 -1.967 8.623 1.00 0.00 H new ATOM 0 HA2 GLY A 181 16.789 -0.620 6.924 1.00 0.00 H new ATOM 0 HA3 GLY A 181 15.327 -0.910 6.002 1.00 0.00 H new ATOM 894 N PRO A 182 15.407 0.586 9.006 1.00 0.00 N ATOM 895 CA PRO A 182 14.763 1.557 9.882 1.00 0.00 C ATOM 896 C PRO A 182 14.971 3.014 9.466 1.00 0.00 C ATOM 897 O PRO A 182 14.528 3.915 10.176 1.00 0.00 O ATOM 898 CB PRO A 182 15.362 1.310 11.267 1.00 0.00 C ATOM 899 CG PRO A 182 16.749 0.754 10.951 1.00 0.00 C ATOM 900 CD PRO A 182 16.500 -0.077 9.695 1.00 0.00 C ATOM 0 HA PRO A 182 13.683 1.418 9.845 1.00 0.00 H new ATOM 0 HB2 PRO A 182 15.419 2.229 11.851 1.00 0.00 H new ATOM 0 HB3 PRO A 182 14.766 0.603 11.844 1.00 0.00 H new ATOM 0 HG2 PRO A 182 17.473 1.549 10.773 1.00 0.00 H new ATOM 0 HG3 PRO A 182 17.137 0.146 11.768 1.00 0.00 H new ATOM 0 HD2 PRO A 182 17.391 -0.120 9.069 1.00 0.00 H new ATOM 0 HD3 PRO A 182 16.239 -1.104 9.949 1.00 0.00 H new ATOM 908 N SER A 183 15.631 3.274 8.334 1.00 0.00 N ATOM 909 CA SER A 183 15.893 4.634 7.887 1.00 0.00 C ATOM 910 C SER A 183 16.024 4.702 6.368 1.00 0.00 C ATOM 911 O SER A 183 15.774 3.724 5.661 1.00 0.00 O ATOM 912 CB SER A 183 17.203 5.127 8.510 1.00 0.00 C ATOM 913 OG SER A 183 17.252 6.539 8.463 1.00 0.00 O ATOM 0 H SER A 183 15.993 2.552 7.711 1.00 0.00 H new ATOM 0 HA SER A 183 15.056 5.259 8.197 1.00 0.00 H new ATOM 0 HB2 SER A 183 17.277 4.785 9.542 1.00 0.00 H new ATOM 0 HB3 SER A 183 18.053 4.706 7.973 1.00 0.00 H new ATOM 0 HG SER A 183 18.130 6.846 8.771 1.00 0.00 H new ATOM 919 N ALA A 184 16.419 5.873 5.870 1.00 0.00 N ATOM 920 CA ALA A 184 16.699 6.098 4.468 1.00 0.00 C ATOM 921 C ALA A 184 17.836 7.106 4.339 1.00 0.00 C ATOM 922 O ALA A 184 17.869 8.104 5.055 1.00 0.00 O ATOM 923 CB ALA A 184 15.436 6.620 3.790 1.00 0.00 C ATOM 0 H ALA A 184 16.553 6.703 6.448 1.00 0.00 H new ATOM 0 HA ALA A 184 17.001 5.168 3.986 1.00 0.00 H new ATOM 0 HB1 ALA A 184 15.636 6.793 2.733 1.00 0.00 H new ATOM 0 HB2 ALA A 184 14.638 5.885 3.893 1.00 0.00 H new ATOM 0 HB3 ALA A 184 15.131 7.555 4.259 1.00 0.00 H new ATOM 929 N GLN A 185 18.762 6.834 3.422 1.00 0.00 N ATOM 930 CA GLN A 185 19.932 7.654 3.149 1.00 0.00 C ATOM 931 C GLN A 185 20.683 8.028 4.426 1.00 0.00 C ATOM 932 O GLN A 185 21.382 9.041 4.459 1.00 0.00 O ATOM 933 CB GLN A 185 19.492 8.878 2.355 1.00 0.00 C ATOM 934 CG GLN A 185 18.936 8.490 0.988 1.00 0.00 C ATOM 935 CD GLN A 185 18.505 9.727 0.204 1.00 0.00 C ATOM 936 OE1 GLN A 185 19.329 10.555 -0.162 1.00 0.00 O ATOM 937 NE2 GLN A 185 17.207 9.862 -0.052 1.00 0.00 N ATOM 0 H GLN A 185 18.713 6.005 2.829 1.00 0.00 H new ATOM 0 HA GLN A 185 20.644 7.081 2.555 1.00 0.00 H new ATOM 0 HB2 GLN A 185 18.733 9.423 2.916 1.00 0.00 H new ATOM 0 HB3 GLN A 185 20.338 9.553 2.226 1.00 0.00 H new ATOM 0 HG2 GLN A 185 19.693 7.943 0.425 1.00 0.00 H new ATOM 0 HG3 GLN A 185 18.086 7.820 1.114 1.00 0.00 H new ATOM 0 HE21 GLN A 185 16.548 9.153 0.268 1.00 0.00 H new ATOM 0 HE22 GLN A 185 16.871 10.675 -0.568 1.00 0.00 H new ATOM 946 N GLY A 186 20.541 7.220 5.478 1.00 0.00 N ATOM 947 CA GLY A 186 21.184 7.441 6.759 1.00 0.00 C ATOM 948 C GLY A 186 20.440 6.701 7.858 1.00 0.00 C ATOM 949 O GLY A 186 20.606 5.463 7.939 1.00 0.00 O ATOM 950 OXT GLY A 186 19.709 7.383 8.607 1.00 0.00 O ATOM 0 H GLY A 186 19.963 6.380 5.455 1.00 0.00 H new ATOM 0 HA2 GLY A 186 22.218 7.100 6.718 1.00 0.00 H new ATOM 0 HA3 GLY A 186 21.209 8.508 6.982 1.00 0.00 H new TER 954 GLY A 186 ATOM 955 O5' A B 1 11.203 7.640 4.874 1.00 0.00 O ATOM 956 C5' A B 1 9.939 7.023 4.990 1.00 0.00 C ATOM 957 C4' A B 1 9.057 7.361 3.788 1.00 0.00 C ATOM 958 O4' A B 1 9.511 6.634 2.648 1.00 0.00 O ATOM 959 C3' A B 1 7.631 6.902 4.076 1.00 0.00 C ATOM 960 O3' A B 1 6.706 7.668 3.320 1.00 0.00 O ATOM 961 C2' A B 1 7.676 5.508 3.492 1.00 0.00 C ATOM 962 O2' A B 1 6.383 5.032 3.251 1.00 0.00 O ATOM 963 C1' A B 1 8.423 5.841 2.225 1.00 0.00 C ATOM 964 N9 A B 1 8.728 4.653 1.407 1.00 0.00 N ATOM 965 C8 A B 1 8.207 4.370 0.169 1.00 0.00 C ATOM 966 N7 A B 1 8.609 3.238 -0.337 1.00 0.00 N ATOM 967 C5 A B 1 9.433 2.714 0.657 1.00 0.00 C ATOM 968 C6 A B 1 10.139 1.503 0.775 1.00 0.00 C ATOM 969 N6 A B 1 10.146 0.561 -0.173 1.00 0.00 N ATOM 970 N1 A B 1 10.832 1.274 1.892 1.00 0.00 N ATOM 971 C2 A B 1 10.816 2.181 2.853 1.00 0.00 C ATOM 972 N3 A B 1 10.196 3.358 2.882 1.00 0.00 N ATOM 973 C4 A B 1 9.505 3.564 1.732 1.00 0.00 C ATOM 0 H5' A B 1 9.452 7.352 5.908 1.00 0.00 H new ATOM 0 H5'' A B 1 10.062 5.943 5.064 1.00 0.00 H new ATOM 0 H4' A B 1 9.098 8.435 3.605 1.00 0.00 H new ATOM 0 H3' A B 1 7.336 6.979 5.122 1.00 0.00 H new ATOM 0 H2' A B 1 8.124 4.725 4.103 1.00 0.00 H new ATOM 0 HO2' A B 1 5.783 5.788 3.082 1.00 0.00 H new ATOM 0 HO5' A B 1 11.751 7.412 5.654 1.00 0.00 H new ATOM 0 H1' A B 1 7.832 6.411 1.508 1.00 0.00 H new ATOM 0 H8 A B 1 7.522 5.030 -0.343 1.00 0.00 H new ATOM 0 H61 A B 1 10.676 -0.299 -0.034 1.00 0.00 H new ATOM 0 H62 A B 1 9.621 0.702 -1.036 1.00 0.00 H new ATOM 0 H2 A B 1 11.385 1.933 3.737 1.00 0.00 H new ATOM 986 P G B 2 5.909 8.907 3.938 1.00 0.00 P ATOM 987 OP1 G B 2 6.486 10.155 3.391 1.00 0.00 O ATOM 988 OP2 G B 2 5.824 8.727 5.405 1.00 0.00 O ATOM 989 O5' G B 2 4.431 8.695 3.336 1.00 0.00 O ATOM 990 C5' G B 2 4.028 9.285 2.112 1.00 0.00 C ATOM 991 C4' G B 2 2.657 8.769 1.662 1.00 0.00 C ATOM 992 O4' G B 2 2.835 7.644 0.825 1.00 0.00 O ATOM 993 C3' G B 2 1.725 8.371 2.816 1.00 0.00 C ATOM 994 O3' G B 2 0.745 9.339 3.149 1.00 0.00 O ATOM 995 C2' G B 2 1.010 7.132 2.288 1.00 0.00 C ATOM 996 O2' G B 2 -0.254 7.448 1.742 1.00 0.00 O ATOM 997 C1' G B 2 1.911 6.627 1.167 1.00 0.00 C ATOM 998 N9 G B 2 2.631 5.417 1.610 1.00 0.00 N ATOM 999 C8 G B 2 3.547 5.265 2.624 1.00 0.00 C ATOM 1000 N7 G B 2 3.900 4.035 2.816 1.00 0.00 N ATOM 1001 C5 G B 2 3.260 3.326 1.813 1.00 0.00 C ATOM 1002 C6 G B 2 3.329 1.948 1.479 1.00 0.00 C ATOM 1003 O6 G B 2 3.969 1.052 2.017 1.00 0.00 O ATOM 1004 N1 G B 2 2.552 1.627 0.395 1.00 0.00 N ATOM 1005 C2 G B 2 1.782 2.527 -0.298 1.00 0.00 C ATOM 1006 N2 G B 2 1.082 2.043 -1.317 1.00 0.00 N ATOM 1007 N3 G B 2 1.701 3.832 -0.005 1.00 0.00 N ATOM 1008 C4 G B 2 2.475 4.166 1.064 1.00 0.00 C ATOM 0 H5' G B 2 4.769 9.070 1.342 1.00 0.00 H new ATOM 0 H5'' G B 2 3.991 10.369 2.224 1.00 0.00 H new ATOM 0 H4' G B 2 2.180 9.598 1.139 1.00 0.00 H new ATOM 0 H3' G B 2 2.309 8.234 3.726 1.00 0.00 H new ATOM 0 H2' G B 2 0.840 6.408 3.085 1.00 0.00 H new ATOM 0 HO2' G B 2 -0.284 8.401 1.516 1.00 0.00 H new ATOM 0 H1' G B 2 1.308 6.375 0.295 1.00 0.00 H new ATOM 0 H8 G B 2 3.934 6.091 3.203 1.00 0.00 H new ATOM 0 H1 G B 2 2.546 0.656 0.084 1.00 0.00 H new ATOM 0 H21 G B 2 0.491 2.663 -1.870 1.00 0.00 H new ATOM 0 H22 G B 2 1.135 1.051 -1.547 1.00 0.00 H new ATOM 1020 P G B 3 1.126 10.854 3.506 1.00 0.00 P ATOM 1021 OP1 G B 3 2.472 10.871 4.113 1.00 0.00 O ATOM 1022 OP2 G B 3 -0.009 11.458 4.242 1.00 0.00 O ATOM 1023 O5' G B 3 1.199 11.549 2.062 1.00 0.00 O ATOM 1024 C5' G B 3 0.016 11.874 1.357 1.00 0.00 C ATOM 1025 C4' G B 3 -0.098 11.073 0.062 1.00 0.00 C ATOM 1026 O4' G B 3 -0.522 9.740 0.338 1.00 0.00 O ATOM 1027 C3' G B 3 -1.159 11.726 -0.819 1.00 0.00 C ATOM 1028 O3' G B 3 -0.811 11.649 -2.190 1.00 0.00 O ATOM 1029 C2' G B 3 -2.393 10.891 -0.508 1.00 0.00 C ATOM 1030 O2' G B 3 -3.305 10.886 -1.586 1.00 0.00 O ATOM 1031 C1' G B 3 -1.791 9.518 -0.248 1.00 0.00 C ATOM 1032 N9 G B 3 -2.682 8.693 0.596 1.00 0.00 N ATOM 1033 C8 G B 3 -3.289 7.514 0.262 1.00 0.00 C ATOM 1034 N7 G B 3 -4.065 7.025 1.192 1.00 0.00 N ATOM 1035 C5 G B 3 -3.961 7.953 2.226 1.00 0.00 C ATOM 1036 C6 G B 3 -4.601 7.973 3.500 1.00 0.00 C ATOM 1037 O6 G B 3 -5.395 7.162 3.972 1.00 0.00 O ATOM 1038 N1 G B 3 -4.233 9.079 4.244 1.00 0.00 N ATOM 1039 C2 G B 3 -3.366 10.055 3.816 1.00 0.00 C ATOM 1040 N2 G B 3 -3.113 11.046 4.673 1.00 0.00 N ATOM 1041 N3 G B 3 -2.778 10.058 2.616 1.00 0.00 N ATOM 1042 C4 G B 3 -3.118 8.976 1.873 1.00 0.00 C ATOM 0 H5' G B 3 0.007 12.940 1.129 1.00 0.00 H new ATOM 0 H5'' G B 3 -0.851 11.676 1.987 1.00 0.00 H new ATOM 0 H4' G B 3 0.875 11.054 -0.430 1.00 0.00 H new ATOM 0 H3' G B 3 -1.294 12.790 -0.627 1.00 0.00 H new ATOM 0 H2' G B 3 -2.982 11.266 0.329 1.00 0.00 H new ATOM 0 HO2' G B 3 -2.860 11.222 -2.392 1.00 0.00 H new ATOM 0 H1' G B 3 -1.676 8.950 -1.171 1.00 0.00 H new ATOM 0 H8 G B 3 -3.139 7.028 -0.691 1.00 0.00 H new ATOM 0 H1 G B 3 -4.634 9.177 5.177 1.00 0.00 H new ATOM 0 H21 G B 3 -2.477 11.798 4.409 1.00 0.00 H new ATOM 0 H22 G B 3 -3.556 11.051 5.592 1.00 0.00 H new ATOM 1054 P A B 4 0.314 12.622 -2.787 1.00 0.00 P ATOM 1055 OP1 A B 4 1.639 12.010 -2.554 1.00 0.00 O ATOM 1056 OP2 A B 4 0.045 13.986 -2.280 1.00 0.00 O ATOM 1057 O5' A B 4 0.023 12.616 -4.364 1.00 0.00 O ATOM 1058 C5' A B 4 -1.033 13.380 -4.908 1.00 0.00 C ATOM 1059 C4' A B 4 -1.088 13.191 -6.421 1.00 0.00 C ATOM 1060 O4' A B 4 -1.606 11.906 -6.722 1.00 0.00 O ATOM 1061 C3' A B 4 -2.024 14.214 -7.060 1.00 0.00 C ATOM 1062 O3' A B 4 -1.622 14.517 -8.388 1.00 0.00 O ATOM 1063 C2' A B 4 -3.353 13.471 -7.101 1.00 0.00 C ATOM 1064 O2' A B 4 -4.139 13.857 -8.203 1.00 0.00 O ATOM 1065 C1' A B 4 -2.932 12.015 -7.209 1.00 0.00 C ATOM 1066 N9 A B 4 -3.866 11.195 -6.426 1.00 0.00 N ATOM 1067 C8 A B 4 -4.006 11.127 -5.069 1.00 0.00 C ATOM 1068 N7 A B 4 -4.940 10.305 -4.673 1.00 0.00 N ATOM 1069 C5 A B 4 -5.478 9.816 -5.864 1.00 0.00 C ATOM 1070 C6 A B 4 -6.519 8.914 -6.157 1.00 0.00 C ATOM 1071 N6 A B 4 -7.248 8.287 -5.231 1.00 0.00 N ATOM 1072 N1 A B 4 -6.803 8.668 -7.441 1.00 0.00 N ATOM 1073 C2 A B 4 -6.094 9.273 -8.383 1.00 0.00 C ATOM 1074 N3 A B 4 -5.084 10.124 -8.253 1.00 0.00 N ATOM 1075 C4 A B 4 -4.824 10.355 -6.942 1.00 0.00 C ATOM 0 H5' A B 4 -0.890 14.434 -4.670 1.00 0.00 H new ATOM 0 H5'' A B 4 -1.980 13.077 -4.461 1.00 0.00 H new ATOM 0 H4' A B 4 -0.076 13.312 -6.808 1.00 0.00 H new ATOM 0 H3' A B 4 -2.048 15.159 -6.517 1.00 0.00 H new ATOM 0 H2' A B 4 -3.975 13.678 -6.230 1.00 0.00 H new ATOM 0 HO2' A B 4 -4.982 13.357 -8.195 1.00 0.00 H new ATOM 0 H1' A B 4 -2.957 11.663 -8.240 1.00 0.00 H new ATOM 0 H8 A B 4 -3.399 11.701 -4.385 1.00 0.00 H new ATOM 0 H61 A B 4 -7.989 7.645 -5.514 1.00 0.00 H new ATOM 0 H62 A B 4 -7.064 8.450 -4.241 1.00 0.00 H new ATOM 0 H2 A B 4 -6.378 9.041 -9.399 1.00 0.00 H new ATOM 1087 P G B 5 -0.528 15.643 -8.723 1.00 0.00 P ATOM 1088 OP1 G B 5 -0.665 16.739 -7.739 1.00 0.00 O ATOM 1089 OP2 G B 5 -0.623 15.946 -10.165 1.00 0.00 O ATOM 1090 O5' G B 5 0.879 14.914 -8.476 1.00 0.00 O ATOM 1091 C5' G B 5 1.689 15.259 -7.377 1.00 0.00 C ATOM 1092 C4' G B 5 2.836 14.260 -7.234 1.00 0.00 C ATOM 1093 O4' G B 5 2.277 13.007 -6.880 1.00 0.00 O ATOM 1094 C3' G B 5 3.631 14.057 -8.527 1.00 0.00 C ATOM 1095 O3' G B 5 4.969 13.753 -8.205 1.00 0.00 O ATOM 1096 C2' G B 5 2.976 12.822 -9.122 1.00 0.00 C ATOM 1097 O2' G B 5 3.846 12.092 -9.959 1.00 0.00 O ATOM 1098 C1' G B 5 2.648 12.049 -7.852 1.00 0.00 C ATOM 1099 N9 G B 5 1.558 11.088 -8.083 1.00 0.00 N ATOM 1100 C8 G B 5 0.357 11.259 -8.722 1.00 0.00 C ATOM 1101 N7 G B 5 -0.405 10.200 -8.706 1.00 0.00 N ATOM 1102 C5 G B 5 0.360 9.252 -8.027 1.00 0.00 C ATOM 1103 C6 G B 5 0.056 7.908 -7.668 1.00 0.00 C ATOM 1104 O6 G B 5 -0.978 7.273 -7.872 1.00 0.00 O ATOM 1105 N1 G B 5 1.107 7.297 -7.013 1.00 0.00 N ATOM 1106 C2 G B 5 2.323 7.888 -6.760 1.00 0.00 C ATOM 1107 N2 G B 5 3.245 7.132 -6.178 1.00 0.00 N ATOM 1108 N3 G B 5 2.615 9.153 -7.070 1.00 0.00 N ATOM 1109 C4 G B 5 1.582 9.776 -7.696 1.00 0.00 C ATOM 0 H5' G B 5 1.092 15.271 -6.465 1.00 0.00 H new ATOM 0 H5'' G B 5 2.087 16.265 -7.511 1.00 0.00 H new ATOM 0 H4' G B 5 3.519 14.656 -6.483 1.00 0.00 H new ATOM 0 H3' G B 5 3.632 14.925 -9.187 1.00 0.00 H new ATOM 0 H2' G B 5 2.125 13.039 -9.768 1.00 0.00 H new ATOM 0 HO2' G B 5 4.774 12.266 -9.698 1.00 0.00 H new ATOM 0 H1' G B 5 3.508 11.468 -7.520 1.00 0.00 H new ATOM 0 H8 G B 5 0.068 12.186 -9.195 1.00 0.00 H new ATOM 0 H1 G B 5 0.972 6.338 -6.694 1.00 0.00 H new ATOM 0 H21 G B 5 4.164 7.520 -5.968 1.00 0.00 H new ATOM 0 H22 G B 5 3.034 6.163 -5.941 1.00 0.00 H new ATOM 1121 P A B 6 5.966 14.881 -7.665 1.00 0.00 P ATOM 1122 OP1 A B 6 6.331 14.556 -6.271 1.00 0.00 O ATOM 1123 OP2 A B 6 5.411 16.215 -8.001 1.00 0.00 O ATOM 1124 O5' A B 6 7.238 14.645 -8.608 1.00 0.00 O ATOM 1125 C5' A B 6 8.073 13.528 -8.398 1.00 0.00 C ATOM 1126 C4' A B 6 9.263 13.567 -9.349 1.00 0.00 C ATOM 1127 O4' A B 6 9.926 14.808 -9.184 1.00 0.00 O ATOM 1128 C3' A B 6 10.245 12.459 -8.977 1.00 0.00 C ATOM 1129 O3' A B 6 10.973 12.093 -10.140 1.00 0.00 O ATOM 1130 C2' A B 6 11.056 13.188 -7.910 1.00 0.00 C ATOM 1131 O2' A B 6 12.325 12.626 -7.649 1.00 0.00 O ATOM 1132 C1' A B 6 11.151 14.570 -8.531 1.00 0.00 C ATOM 1133 N9 A B 6 11.453 15.610 -7.532 1.00 0.00 N ATOM 1134 C8 A B 6 11.735 15.460 -6.194 1.00 0.00 C ATOM 1135 N7 A B 6 11.990 16.582 -5.578 1.00 0.00 N ATOM 1136 C5 A B 6 11.852 17.543 -6.574 1.00 0.00 C ATOM 1137 C6 A B 6 12.001 18.940 -6.591 1.00 0.00 C ATOM 1138 N6 A B 6 12.330 19.649 -5.512 1.00 0.00 N ATOM 1139 N1 A B 6 11.813 19.594 -7.742 1.00 0.00 N ATOM 1140 C2 A B 6 11.476 18.901 -8.820 1.00 0.00 C ATOM 1141 N3 A B 6 11.304 17.593 -8.948 1.00 0.00 N ATOM 1142 C4 A B 6 11.517 16.962 -7.767 1.00 0.00 C ATOM 0 H5' A B 6 7.507 12.609 -8.551 1.00 0.00 H new ATOM 0 H5'' A B 6 8.424 13.518 -7.366 1.00 0.00 H new ATOM 0 H4' A B 6 8.919 13.437 -10.375 1.00 0.00 H new ATOM 0 H3' A B 6 9.844 11.513 -8.614 1.00 0.00 H new ATOM 0 H2' A B 6 10.597 13.151 -6.922 1.00 0.00 H new ATOM 0 HO2' A B 6 12.259 11.648 -7.665 1.00 0.00 H new ATOM 0 H1' A B 6 11.978 14.610 -9.240 1.00 0.00 H new ATOM 0 H8 A B 6 11.745 14.501 -5.698 1.00 0.00 H new ATOM 0 H61 A B 6 12.426 20.662 -5.577 1.00 0.00 H new ATOM 0 H62 A B 6 12.486 19.178 -4.621 1.00 0.00 H new ATOM 0 H2 A B 6 11.320 19.482 -9.717 1.00 0.00 H new ATOM 1154 P U B 7 12.120 10.969 -10.099 1.00 0.00 P ATOM 1155 OP1 U B 7 12.053 10.185 -11.354 1.00 0.00 O ATOM 1156 OP2 U B 7 12.015 10.274 -8.801 1.00 0.00 O ATOM 1157 O5' U B 7 13.484 11.829 -10.090 1.00 0.00 O ATOM 1158 C5' U B 7 14.087 12.274 -11.291 1.00 0.00 C ATOM 1159 C4' U B 7 13.117 13.089 -12.146 1.00 0.00 C ATOM 1160 O4' U B 7 12.637 14.220 -11.433 1.00 0.00 O ATOM 1161 C3' U B 7 13.877 13.642 -13.351 1.00 0.00 C ATOM 1162 O3' U B 7 12.967 13.943 -14.389 1.00 0.00 O ATOM 1163 C2' U B 7 14.471 14.916 -12.768 1.00 0.00 C ATOM 1164 O2' U B 7 14.726 15.873 -13.770 1.00 0.00 O ATOM 1165 C1' U B 7 13.377 15.371 -11.807 1.00 0.00 C ATOM 1166 N1 U B 7 13.954 16.061 -10.628 1.00 0.00 N ATOM 1167 C2 U B 7 13.998 17.449 -10.647 1.00 0.00 C ATOM 1168 O2 U B 7 13.594 18.112 -11.607 1.00 0.00 O ATOM 1169 N3 U B 7 14.525 18.067 -9.524 1.00 0.00 N ATOM 1170 C4 U B 7 14.999 17.422 -8.396 1.00 0.00 C ATOM 1171 O4 U B 7 15.427 18.067 -7.438 1.00 0.00 O ATOM 1172 C5 U B 7 14.933 15.980 -8.467 1.00 0.00 C ATOM 1173 C6 U B 7 14.425 15.354 -9.554 1.00 0.00 C ATOM 0 H5' U B 7 14.439 11.414 -11.861 1.00 0.00 H new ATOM 0 H5'' U B 7 14.962 12.881 -11.055 1.00 0.00 H new ATOM 0 H4' U B 7 12.290 12.438 -12.430 1.00 0.00 H new ATOM 0 H3' U B 7 14.616 12.965 -13.781 1.00 0.00 H new ATOM 0 H2' U B 7 15.437 14.770 -12.284 1.00 0.00 H new ATOM 0 HO2' U B 7 15.105 16.680 -13.363 1.00 0.00 H new ATOM 0 HO3' U B 7 13.107 14.865 -14.690 1.00 0.00 H new ATOM 0 H1' U B 7 12.720 16.095 -12.289 1.00 0.00 H new ATOM 0 H3 U B 7 14.567 19.086 -9.530 1.00 0.00 H new ATOM 0 H5 U B 7 15.296 15.391 -7.637 1.00 0.00 H new ATOM 0 H6 U B 7 14.390 14.275 -9.575 1.00 0.00 H new TER 1185 U B 7 HETATM 1186 ZN ZN A 187 -3.000 1.267 -10.475 1.00 0.00 ZN HETATM 1187 ZN ZN A 188 4.867 -3.826 6.157 1.00 0.00 ZN