USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 147 HIS HE2 : A 147 HIS NE2 : A 187 ZNZN :(H bumps) USER MOD NoAdj-H: A 169 HIS HE2 : A 169 HIS NE2 : A 188 ZNZN :(H bumps) USER MOD Set 1.1: A 150 LYS NZ :NH3+ 166:sc= 0.969 (180deg=0.824) USER MOD Set 1.2: B 4 A O2' : rot 13:sc= 0.255 USER MOD Set 2.1: A 179 GLN : amide:sc= 0.588 K(o=1.4,f=-0.86) USER MOD Set 2.2: A 180 GLN : amide:sc= 0.81 K(o=1.4,f=-0.37) USER MOD Set 3.1: A 148 HIS : no HD1:sc= -0.0897 X(o=-0.09,f=0.0071) USER MOD Set 3.2: B 5 G O2' : rot -150:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ -168:sc=-0.00503 (180deg=-0.179) USER MOD Single : A 127 LYS NZ :NH3+ 167:sc= -0.0352 (180deg=-0.303) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 MET CE :methyl -167:sc=-0.00271 (180deg=-0.213) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 148:sc= 1.32 USER MOD Single : A 135 LYS NZ :NH3+ 172:sc= 0.995 (180deg=0.95) USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 ASN : amide:sc= -0.889 X(o=-0.89,f=-1.3) USER MOD Single : A 153 LYS NZ :NH3+ 169:sc=-0.00451 (180deg=-0.125) USER MOD Single : A 157 GLN : amide:sc= -0.555 X(o=-0.55,f=-0.086) USER MOD Single : A 159 LYS NZ :NH3+ 141:sc= 0.758 (180deg=0.394) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-1.9) USER MOD Single : A 165 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.2) USER MOD Single : A 166 SER OG : rot 75:sc= 1.38 USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 170 MET CE :methyl -177:sc= -3.71! (180deg=-3.75) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 177 LYS NZ :NH3+ 158:sc= 1.27 (180deg=1.2) USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD Single : A 185 GLN : amide:sc= -0.214 K(o=-0.21,f=-1.8) USER MOD Single : B 1 A O2' : rot 65:sc= -2.13 USER MOD Single : B 1 A O5' : rot -33:sc= -0.185 USER MOD Single : B 2 G O2' : rot 40:sc= 1.14 USER MOD Single : B 3 G O2' : rot -54:sc= 0.97 USER MOD Single : B 6 A O2' : rot -23:sc= 1.18 USER MOD Single : B 7 U O2' : rot 176:sc= 0 USER MOD Single : B 7 U O3' : rot 138:sc= 0.0779 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 124 7.132 -8.550 -15.212 1.00 0.00 N ATOM 2 CA PRO A 124 7.817 -7.411 -14.594 1.00 0.00 C ATOM 3 C PRO A 124 7.538 -7.299 -13.094 1.00 0.00 C ATOM 4 O PRO A 124 8.457 -7.448 -12.291 1.00 0.00 O ATOM 5 CB PRO A 124 7.397 -6.188 -15.409 1.00 0.00 C ATOM 6 CG PRO A 124 7.221 -6.751 -16.823 1.00 0.00 C ATOM 7 CD PRO A 124 7.296 -8.270 -16.645 1.00 0.00 C ATOM 0 HA PRO A 124 8.901 -7.524 -14.624 1.00 0.00 H new ATOM 0 HB2 PRO A 124 6.472 -5.751 -15.032 1.00 0.00 H new ATOM 0 HB3 PRO A 124 8.155 -5.405 -15.379 1.00 0.00 H new ATOM 0 HG2 PRO A 124 6.267 -6.449 -17.254 1.00 0.00 H new ATOM 0 HG3 PRO A 124 8.002 -6.391 -17.493 1.00 0.00 H new ATOM 0 HD2 PRO A 124 6.516 -8.764 -17.225 1.00 0.00 H new ATOM 0 HD3 PRO A 124 8.251 -8.652 -17.005 1.00 0.00 H new ATOM 15 N LYS A 125 6.275 -7.044 -12.716 1.00 0.00 N ATOM 16 CA LYS A 125 5.824 -6.958 -11.327 1.00 0.00 C ATOM 17 C LYS A 125 6.713 -6.087 -10.429 1.00 0.00 C ATOM 18 O LYS A 125 6.674 -6.229 -9.208 1.00 0.00 O ATOM 19 CB LYS A 125 5.680 -8.376 -10.763 1.00 0.00 C ATOM 20 CG LYS A 125 4.708 -9.244 -11.568 1.00 0.00 C ATOM 21 CD LYS A 125 3.278 -8.707 -11.476 1.00 0.00 C ATOM 22 CE LYS A 125 2.311 -9.632 -12.216 1.00 0.00 C ATOM 23 NZ LYS A 125 2.606 -9.682 -13.658 1.00 0.00 N ATOM 0 H LYS A 125 5.524 -6.889 -13.389 1.00 0.00 H new ATOM 0 HA LYS A 125 4.859 -6.452 -11.331 1.00 0.00 H new ATOM 0 HB2 LYS A 125 6.659 -8.856 -10.746 1.00 0.00 H new ATOM 0 HB3 LYS A 125 5.336 -8.317 -9.730 1.00 0.00 H new ATOM 0 HG2 LYS A 125 5.022 -9.273 -12.612 1.00 0.00 H new ATOM 0 HG3 LYS A 125 4.739 -10.268 -11.197 1.00 0.00 H new ATOM 0 HD2 LYS A 125 2.981 -8.622 -10.431 1.00 0.00 H new ATOM 0 HD3 LYS A 125 3.231 -7.705 -11.903 1.00 0.00 H new ATOM 0 HE2 LYS A 125 2.374 -10.636 -11.796 1.00 0.00 H new ATOM 0 HE3 LYS A 125 1.288 -9.286 -12.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 1.821 -10.148 -14.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 2.723 -8.715 -14.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 3.483 -10.219 -13.815 1.00 0.00 H new ATOM 37 N GLY A 126 7.511 -5.192 -11.017 1.00 0.00 N ATOM 38 CA GLY A 126 8.408 -4.329 -10.264 1.00 0.00 C ATOM 39 C GLY A 126 9.618 -3.913 -11.089 1.00 0.00 C ATOM 40 O GLY A 126 10.691 -3.680 -10.537 1.00 0.00 O ATOM 0 H GLY A 126 7.549 -5.050 -12.026 1.00 0.00 H new ATOM 0 HA2 GLY A 126 7.868 -3.440 -9.937 1.00 0.00 H new ATOM 0 HA3 GLY A 126 8.742 -4.848 -9.365 1.00 0.00 H new ATOM 44 N LYS A 127 9.442 -3.822 -12.409 1.00 0.00 N ATOM 45 CA LYS A 127 10.516 -3.543 -13.357 1.00 0.00 C ATOM 46 C LYS A 127 10.016 -2.670 -14.497 1.00 0.00 C ATOM 47 O LYS A 127 8.823 -2.392 -14.597 1.00 0.00 O ATOM 48 CB LYS A 127 11.046 -4.866 -13.924 1.00 0.00 C ATOM 49 CG LYS A 127 11.590 -5.802 -12.843 1.00 0.00 C ATOM 50 CD LYS A 127 12.877 -5.265 -12.207 1.00 0.00 C ATOM 51 CE LYS A 127 13.302 -6.162 -11.045 1.00 0.00 C ATOM 52 NZ LYS A 127 13.538 -7.549 -11.490 1.00 0.00 N ATOM 0 H LYS A 127 8.532 -3.943 -12.854 1.00 0.00 H new ATOM 0 HA LYS A 127 11.313 -3.012 -12.836 1.00 0.00 H new ATOM 0 HB2 LYS A 127 10.245 -5.370 -14.465 1.00 0.00 H new ATOM 0 HB3 LYS A 127 11.835 -4.656 -14.646 1.00 0.00 H new ATOM 0 HG2 LYS A 127 10.834 -5.939 -12.070 1.00 0.00 H new ATOM 0 HG3 LYS A 127 11.783 -6.783 -13.278 1.00 0.00 H new ATOM 0 HD2 LYS A 127 13.670 -5.223 -12.953 1.00 0.00 H new ATOM 0 HD3 LYS A 127 12.719 -4.247 -11.852 1.00 0.00 H new ATOM 0 HE2 LYS A 127 14.210 -5.765 -10.591 1.00 0.00 H new ATOM 0 HE3 LYS A 127 12.530 -6.152 -10.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 14.030 -8.075 -10.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 12.627 -8.008 -11.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 14.123 -7.543 -12.350 1.00 0.00 H new ATOM 66 N SER A 128 10.946 -2.243 -15.358 1.00 0.00 N ATOM 67 CA SER A 128 10.670 -1.413 -16.523 1.00 0.00 C ATOM 68 C SER A 128 9.923 -0.131 -16.162 1.00 0.00 C ATOM 69 O SER A 128 8.693 -0.102 -16.079 1.00 0.00 O ATOM 70 CB SER A 128 9.918 -2.236 -17.566 1.00 0.00 C ATOM 71 OG SER A 128 10.705 -3.338 -17.962 1.00 0.00 O ATOM 0 H SER A 128 11.934 -2.474 -15.256 1.00 0.00 H new ATOM 0 HA SER A 128 11.621 -1.090 -16.947 1.00 0.00 H new ATOM 0 HB2 SER A 128 8.970 -2.583 -17.155 1.00 0.00 H new ATOM 0 HB3 SER A 128 9.682 -1.616 -18.431 1.00 0.00 H new ATOM 0 HG SER A 128 10.218 -3.864 -18.630 1.00 0.00 H new ATOM 77 N MET A 129 10.687 0.944 -15.947 1.00 0.00 N ATOM 78 CA MET A 129 10.156 2.246 -15.583 1.00 0.00 C ATOM 79 C MET A 129 10.911 3.353 -16.315 1.00 0.00 C ATOM 80 O MET A 129 12.098 3.204 -16.610 1.00 0.00 O ATOM 81 CB MET A 129 10.303 2.452 -14.078 1.00 0.00 C ATOM 82 CG MET A 129 9.427 1.480 -13.289 1.00 0.00 C ATOM 83 SD MET A 129 9.542 1.669 -11.491 1.00 0.00 S ATOM 84 CE MET A 129 11.215 1.028 -11.243 1.00 0.00 C ATOM 0 H MET A 129 11.704 0.926 -16.024 1.00 0.00 H new ATOM 0 HA MET A 129 9.104 2.286 -15.865 1.00 0.00 H new ATOM 0 HB2 MET A 129 11.346 2.317 -13.792 1.00 0.00 H new ATOM 0 HB3 MET A 129 10.032 3.476 -13.822 1.00 0.00 H new ATOM 0 HG2 MET A 129 8.389 1.616 -13.592 1.00 0.00 H new ATOM 0 HG3 MET A 129 9.705 0.460 -13.554 1.00 0.00 H new ATOM 0 HE1 MET A 129 11.382 0.849 -10.181 1.00 0.00 H new ATOM 0 HE2 MET A 129 11.332 0.093 -11.792 1.00 0.00 H new ATOM 0 HE3 MET A 129 11.941 1.755 -11.607 1.00 0.00 H new ATOM 94 N GLN A 130 10.231 4.462 -16.608 1.00 0.00 N ATOM 95 CA GLN A 130 10.846 5.578 -17.315 1.00 0.00 C ATOM 96 C GLN A 130 11.862 6.294 -16.432 1.00 0.00 C ATOM 97 O GLN A 130 12.823 6.876 -16.934 1.00 0.00 O ATOM 98 CB GLN A 130 9.774 6.569 -17.769 1.00 0.00 C ATOM 99 CG GLN A 130 8.770 5.926 -18.728 1.00 0.00 C ATOM 100 CD GLN A 130 7.793 6.954 -19.284 1.00 0.00 C ATOM 101 OE1 GLN A 130 8.196 7.966 -19.853 1.00 0.00 O ATOM 102 NE2 GLN A 130 6.499 6.710 -19.126 1.00 0.00 N ATOM 0 H GLN A 130 9.251 4.608 -16.364 1.00 0.00 H new ATOM 0 HA GLN A 130 11.365 5.178 -18.186 1.00 0.00 H new ATOM 0 HB2 GLN A 130 9.246 6.957 -16.898 1.00 0.00 H new ATOM 0 HB3 GLN A 130 10.250 7.419 -18.258 1.00 0.00 H new ATOM 0 HG2 GLN A 130 9.304 5.449 -19.549 1.00 0.00 H new ATOM 0 HG3 GLN A 130 8.219 5.142 -18.208 1.00 0.00 H new ATOM 0 HE21 GLN A 130 6.195 5.861 -18.649 1.00 0.00 H new ATOM 0 HE22 GLN A 130 5.808 7.371 -19.481 1.00 0.00 H new ATOM 111 N LYS A 131 11.642 6.240 -15.112 1.00 0.00 N ATOM 112 CA LYS A 131 12.449 6.898 -14.082 1.00 0.00 C ATOM 113 C LYS A 131 12.963 8.281 -14.507 1.00 0.00 C ATOM 114 O LYS A 131 14.049 8.696 -14.105 1.00 0.00 O ATOM 115 CB LYS A 131 13.549 5.948 -13.610 1.00 0.00 C ATOM 116 CG LYS A 131 14.183 6.471 -12.316 1.00 0.00 C ATOM 117 CD LYS A 131 14.528 5.329 -11.366 1.00 0.00 C ATOM 118 CE LYS A 131 15.524 4.355 -11.988 1.00 0.00 C ATOM 119 NZ LYS A 131 15.895 3.300 -11.026 1.00 0.00 N ATOM 0 H LYS A 131 10.862 5.713 -14.718 1.00 0.00 H new ATOM 0 HA LYS A 131 11.808 7.115 -13.228 1.00 0.00 H new ATOM 0 HB2 LYS A 131 13.134 4.954 -13.444 1.00 0.00 H new ATOM 0 HB3 LYS A 131 14.311 5.850 -14.383 1.00 0.00 H new ATOM 0 HG2 LYS A 131 15.085 7.035 -12.553 1.00 0.00 H new ATOM 0 HG3 LYS A 131 13.496 7.160 -11.825 1.00 0.00 H new ATOM 0 HD2 LYS A 131 14.945 5.736 -10.445 1.00 0.00 H new ATOM 0 HD3 LYS A 131 13.618 4.794 -11.095 1.00 0.00 H new ATOM 0 HE2 LYS A 131 15.090 3.904 -12.880 1.00 0.00 H new ATOM 0 HE3 LYS A 131 16.417 4.894 -12.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 16.573 2.648 -11.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 16.330 3.733 -10.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 15.044 2.774 -10.743 1.00 0.00 H new ATOM 133 N ARG A 132 12.183 8.995 -15.324 1.00 0.00 N ATOM 134 CA ARG A 132 12.521 10.322 -15.815 1.00 0.00 C ATOM 135 C ARG A 132 12.685 11.293 -14.655 1.00 0.00 C ATOM 136 O ARG A 132 13.735 11.901 -14.480 1.00 0.00 O ATOM 137 CB ARG A 132 11.433 10.760 -16.784 1.00 0.00 C ATOM 138 CG ARG A 132 11.619 12.207 -17.251 1.00 0.00 C ATOM 139 CD ARG A 132 10.636 12.437 -18.389 1.00 0.00 C ATOM 140 NE ARG A 132 10.658 13.825 -18.862 1.00 0.00 N ATOM 141 CZ ARG A 132 9.814 14.318 -19.770 1.00 0.00 C ATOM 142 NH1 ARG A 132 8.898 13.542 -20.347 1.00 0.00 N ATOM 143 NH2 ARG A 132 9.877 15.601 -20.118 1.00 0.00 N ATOM 0 H ARG A 132 11.284 8.655 -15.665 1.00 0.00 H new ATOM 0 HA ARG A 132 13.475 10.306 -16.341 1.00 0.00 H new ATOM 0 HB2 ARG A 132 11.433 10.098 -17.650 1.00 0.00 H new ATOM 0 HB3 ARG A 132 10.460 10.658 -16.304 1.00 0.00 H new ATOM 0 HG2 ARG A 132 11.432 12.903 -16.433 1.00 0.00 H new ATOM 0 HG3 ARG A 132 12.643 12.376 -17.586 1.00 0.00 H new ATOM 0 HD2 ARG A 132 10.876 11.768 -19.216 1.00 0.00 H new ATOM 0 HD3 ARG A 132 9.630 12.184 -18.056 1.00 0.00 H new ATOM 0 HE ARG A 132 11.362 14.452 -18.473 1.00 0.00 H new ATOM 0 HH11 ARG A 132 8.834 12.555 -20.096 1.00 0.00 H new ATOM 0 HH12 ARG A 132 8.260 13.934 -21.039 1.00 0.00 H new ATOM 0 HH21 ARG A 132 10.573 16.212 -19.690 1.00 0.00 H new ATOM 0 HH22 ARG A 132 9.230 15.973 -20.813 1.00 0.00 H new ATOM 157 N ARG A 133 11.611 11.408 -13.877 1.00 0.00 N ATOM 158 CA ARG A 133 11.507 12.186 -12.651 1.00 0.00 C ATOM 159 C ARG A 133 10.431 11.567 -11.765 1.00 0.00 C ATOM 160 O ARG A 133 9.701 10.686 -12.217 1.00 0.00 O ATOM 161 CB ARG A 133 11.091 13.626 -12.976 1.00 0.00 C ATOM 162 CG ARG A 133 12.165 14.411 -13.728 1.00 0.00 C ATOM 163 CD ARG A 133 13.396 14.589 -12.838 1.00 0.00 C ATOM 164 NE ARG A 133 14.426 15.394 -13.493 1.00 0.00 N ATOM 165 CZ ARG A 133 15.471 15.914 -12.850 1.00 0.00 C ATOM 166 NH1 ARG A 133 15.609 15.747 -11.537 1.00 0.00 N ATOM 167 NH2 ARG A 133 16.388 16.604 -13.522 1.00 0.00 N ATOM 0 H ARG A 133 10.738 10.930 -14.102 1.00 0.00 H new ATOM 0 HA ARG A 133 12.473 12.188 -12.146 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.179 13.607 -13.573 1.00 0.00 H new ATOM 0 HB3 ARG A 133 10.853 14.146 -12.048 1.00 0.00 H new ATOM 0 HG2 ARG A 133 12.439 13.885 -14.643 1.00 0.00 H new ATOM 0 HG3 ARG A 133 11.776 15.385 -14.025 1.00 0.00 H new ATOM 0 HD2 ARG A 133 13.103 15.065 -11.902 1.00 0.00 H new ATOM 0 HD3 ARG A 133 13.805 13.611 -12.584 1.00 0.00 H new ATOM 0 HE ARG A 133 14.340 15.567 -14.495 1.00 0.00 H new ATOM 0 HH11 ARG A 133 14.912 15.217 -11.014 1.00 0.00 H new ATOM 0 HH12 ARG A 133 16.412 16.149 -11.053 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.291 16.735 -14.529 1.00 0.00 H new ATOM 0 HH22 ARG A 133 17.188 17.002 -13.030 1.00 0.00 H new ATOM 181 N SER A 134 10.344 12.043 -10.519 1.00 0.00 N ATOM 182 CA SER A 134 9.347 11.623 -9.542 1.00 0.00 C ATOM 183 C SER A 134 9.007 10.138 -9.660 1.00 0.00 C ATOM 184 O SER A 134 7.866 9.778 -9.936 1.00 0.00 O ATOM 185 CB SER A 134 8.103 12.502 -9.667 1.00 0.00 C ATOM 186 OG SER A 134 8.480 13.857 -9.535 1.00 0.00 O ATOM 0 H SER A 134 10.984 12.750 -10.157 1.00 0.00 H new ATOM 0 HA SER A 134 9.770 11.753 -8.546 1.00 0.00 H new ATOM 0 HB2 SER A 134 7.622 12.338 -10.631 1.00 0.00 H new ATOM 0 HB3 SER A 134 7.377 12.237 -8.899 1.00 0.00 H new ATOM 0 HG SER A 134 7.887 14.416 -10.079 1.00 0.00 H new ATOM 192 N LYS A 135 10.013 9.281 -9.445 1.00 0.00 N ATOM 193 CA LYS A 135 9.863 7.838 -9.506 1.00 0.00 C ATOM 194 C LYS A 135 10.501 7.228 -8.260 1.00 0.00 C ATOM 195 O LYS A 135 11.313 7.871 -7.597 1.00 0.00 O ATOM 196 CB LYS A 135 10.485 7.326 -10.809 1.00 0.00 C ATOM 197 CG LYS A 135 10.270 5.832 -11.055 1.00 0.00 C ATOM 198 CD LYS A 135 8.789 5.445 -11.148 1.00 0.00 C ATOM 199 CE LYS A 135 8.119 6.164 -12.319 1.00 0.00 C ATOM 200 NZ LYS A 135 6.698 5.797 -12.418 1.00 0.00 N ATOM 0 H LYS A 135 10.961 9.583 -9.222 1.00 0.00 H new ATOM 0 HA LYS A 135 8.814 7.544 -9.514 1.00 0.00 H new ATOM 0 HB2 LYS A 135 10.065 7.886 -11.645 1.00 0.00 H new ATOM 0 HB3 LYS A 135 11.555 7.531 -10.794 1.00 0.00 H new ATOM 0 HG2 LYS A 135 10.773 5.546 -11.979 1.00 0.00 H new ATOM 0 HG3 LYS A 135 10.737 5.266 -10.249 1.00 0.00 H new ATOM 0 HD2 LYS A 135 8.696 4.366 -11.275 1.00 0.00 H new ATOM 0 HD3 LYS A 135 8.281 5.701 -10.218 1.00 0.00 H new ATOM 0 HE2 LYS A 135 8.212 7.242 -12.190 1.00 0.00 H new ATOM 0 HE3 LYS A 135 8.630 5.909 -13.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 6.234 6.396 -13.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 6.616 4.799 -12.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 6.238 5.937 -11.496 1.00 0.00 H new ATOM 214 N GLY A 136 10.130 5.987 -7.944 1.00 0.00 N ATOM 215 CA GLY A 136 10.496 5.324 -6.700 1.00 0.00 C ATOM 216 C GLY A 136 9.237 4.973 -5.914 1.00 0.00 C ATOM 217 O GLY A 136 9.311 4.482 -4.793 1.00 0.00 O ATOM 0 H GLY A 136 9.557 5.408 -8.558 1.00 0.00 H new ATOM 0 HA2 GLY A 136 11.067 4.420 -6.913 1.00 0.00 H new ATOM 0 HA3 GLY A 136 11.138 5.974 -6.106 1.00 0.00 H new ATOM 221 N ASP A 137 8.073 5.231 -6.518 1.00 0.00 N ATOM 222 CA ASP A 137 6.765 5.010 -5.925 1.00 0.00 C ATOM 223 C ASP A 137 5.833 4.425 -6.982 1.00 0.00 C ATOM 224 O ASP A 137 6.231 4.264 -8.137 1.00 0.00 O ATOM 225 CB ASP A 137 6.235 6.338 -5.382 1.00 0.00 C ATOM 226 CG ASP A 137 7.130 6.874 -4.274 1.00 0.00 C ATOM 227 OD1 ASP A 137 7.089 6.286 -3.165 1.00 0.00 O ATOM 228 OD2 ASP A 137 7.844 7.868 -4.532 1.00 0.00 O ATOM 0 H ASP A 137 8.021 5.611 -7.463 1.00 0.00 H new ATOM 0 HA ASP A 137 6.828 4.303 -5.098 1.00 0.00 H new ATOM 0 HB2 ASP A 137 6.176 7.067 -6.190 1.00 0.00 H new ATOM 0 HB3 ASP A 137 5.223 6.201 -5.002 1.00 0.00 H new ATOM 233 N ARG A 138 4.589 4.106 -6.605 1.00 0.00 N ATOM 234 CA ARG A 138 3.671 3.393 -7.485 1.00 0.00 C ATOM 235 C ARG A 138 2.258 3.963 -7.398 1.00 0.00 C ATOM 236 O ARG A 138 1.949 4.726 -6.488 1.00 0.00 O ATOM 237 CB ARG A 138 3.694 1.907 -7.093 1.00 0.00 C ATOM 238 CG ARG A 138 5.051 1.278 -7.422 1.00 0.00 C ATOM 239 CD ARG A 138 5.057 -0.216 -7.102 1.00 0.00 C ATOM 240 NE ARG A 138 6.403 -0.780 -7.221 1.00 0.00 N ATOM 241 CZ ARG A 138 6.762 -1.965 -6.720 1.00 0.00 C ATOM 242 NH1 ARG A 138 5.895 -2.712 -6.046 1.00 0.00 N ATOM 243 NH2 ARG A 138 7.997 -2.413 -6.899 1.00 0.00 N ATOM 0 H ARG A 138 4.199 4.334 -5.691 1.00 0.00 H new ATOM 0 HA ARG A 138 3.989 3.511 -8.521 1.00 0.00 H new ATOM 0 HB2 ARG A 138 3.489 1.804 -6.027 1.00 0.00 H new ATOM 0 HB3 ARG A 138 2.904 1.375 -7.622 1.00 0.00 H new ATOM 0 HG2 ARG A 138 5.278 1.428 -8.477 1.00 0.00 H new ATOM 0 HG3 ARG A 138 5.835 1.778 -6.853 1.00 0.00 H new ATOM 0 HD2 ARG A 138 4.682 -0.375 -6.091 1.00 0.00 H new ATOM 0 HD3 ARG A 138 4.381 -0.738 -7.779 1.00 0.00 H new ATOM 0 HE ARG A 138 7.109 -0.235 -7.716 1.00 0.00 H new ATOM 0 HH11 ARG A 138 4.940 -2.383 -5.905 1.00 0.00 H new ATOM 0 HH12 ARG A 138 6.184 -3.615 -5.670 1.00 0.00 H new ATOM 0 HH21 ARG A 138 8.672 -1.853 -7.419 1.00 0.00 H new ATOM 0 HH22 ARG A 138 8.272 -3.318 -6.517 1.00 0.00 H new ATOM 257 N CYS A 139 1.411 3.582 -8.356 1.00 0.00 N ATOM 258 CA CYS A 139 0.002 3.921 -8.438 1.00 0.00 C ATOM 259 C CYS A 139 -0.659 3.682 -7.087 1.00 0.00 C ATOM 260 O CYS A 139 -0.711 2.552 -6.600 1.00 0.00 O ATOM 261 CB CYS A 139 -0.614 3.070 -9.557 1.00 0.00 C ATOM 262 SG CYS A 139 -2.415 3.008 -9.435 1.00 0.00 S ATOM 0 H CYS A 139 1.713 2.997 -9.135 1.00 0.00 H new ATOM 0 HA CYS A 139 -0.149 4.974 -8.677 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -0.329 3.481 -10.526 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -0.211 2.058 -9.509 1.00 0.00 H new ATOM 267 N TYR A 140 -1.163 4.764 -6.484 1.00 0.00 N ATOM 268 CA TYR A 140 -1.825 4.742 -5.193 1.00 0.00 C ATOM 269 C TYR A 140 -3.176 4.033 -5.262 1.00 0.00 C ATOM 270 O TYR A 140 -3.917 4.029 -4.278 1.00 0.00 O ATOM 271 CB TYR A 140 -2.014 6.187 -4.720 1.00 0.00 C ATOM 272 CG TYR A 140 -0.753 6.951 -4.377 1.00 0.00 C ATOM 273 CD1 TYR A 140 0.508 6.330 -4.361 1.00 0.00 C ATOM 274 CD2 TYR A 140 -0.861 8.316 -4.061 1.00 0.00 C ATOM 275 CE1 TYR A 140 1.655 7.058 -4.011 1.00 0.00 C ATOM 276 CE2 TYR A 140 0.278 9.051 -3.711 1.00 0.00 C ATOM 277 CZ TYR A 140 1.542 8.424 -3.677 1.00 0.00 C ATOM 278 OH TYR A 140 2.648 9.138 -3.324 1.00 0.00 O ATOM 0 H TYR A 140 -1.116 5.696 -6.896 1.00 0.00 H new ATOM 0 HA TYR A 140 -1.205 4.187 -4.489 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -2.545 6.735 -5.498 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -2.658 6.178 -3.841 1.00 0.00 H new ATOM 0 HD1 TYR A 140 0.594 5.285 -4.620 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -1.826 8.800 -4.088 1.00 0.00 H new ATOM 0 HE1 TYR A 140 2.621 6.575 -3.997 1.00 0.00 H new ATOM 0 HE2 TYR A 140 0.189 10.099 -3.467 1.00 0.00 H new ATOM 0 HH TYR A 140 2.391 10.063 -3.127 1.00 0.00 H new ATOM 288 N ASN A 141 -3.513 3.432 -6.407 1.00 0.00 N ATOM 289 CA ASN A 141 -4.798 2.780 -6.586 1.00 0.00 C ATOM 290 C ASN A 141 -4.653 1.286 -6.856 1.00 0.00 C ATOM 291 O ASN A 141 -5.542 0.530 -6.485 1.00 0.00 O ATOM 292 CB ASN A 141 -5.536 3.487 -7.727 1.00 0.00 C ATOM 293 CG ASN A 141 -6.953 2.973 -7.918 1.00 0.00 C ATOM 294 OD1 ASN A 141 -7.903 3.581 -7.436 1.00 0.00 O ATOM 295 ND2 ASN A 141 -7.106 1.858 -8.618 1.00 0.00 N ATOM 0 H ASN A 141 -2.904 3.388 -7.224 1.00 0.00 H new ATOM 0 HA ASN A 141 -5.373 2.860 -5.664 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -5.567 4.558 -7.526 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -4.978 3.353 -8.653 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -8.039 1.477 -8.772 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -6.290 1.381 -9.003 1.00 0.00 H new ATOM 302 N CYS A 142 -3.558 0.849 -7.493 1.00 0.00 N ATOM 303 CA CYS A 142 -3.328 -0.566 -7.732 1.00 0.00 C ATOM 304 C CYS A 142 -1.989 -1.025 -7.170 1.00 0.00 C ATOM 305 O CYS A 142 -1.887 -2.105 -6.592 1.00 0.00 O ATOM 306 CB CYS A 142 -3.447 -0.855 -9.226 1.00 0.00 C ATOM 307 SG CYS A 142 -1.978 -0.308 -10.123 1.00 0.00 S ATOM 0 H CYS A 142 -2.824 1.461 -7.848 1.00 0.00 H new ATOM 0 HA CYS A 142 -4.090 -1.139 -7.204 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -3.592 -1.924 -9.381 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -4.328 -0.352 -9.626 1.00 0.00 H new ATOM 312 N GLY A 143 -0.964 -0.190 -7.355 1.00 0.00 N ATOM 313 CA GLY A 143 0.388 -0.507 -6.938 1.00 0.00 C ATOM 314 C GLY A 143 1.289 -0.750 -8.146 1.00 0.00 C ATOM 315 O GLY A 143 2.300 -1.435 -8.020 1.00 0.00 O ATOM 0 H GLY A 143 -1.057 0.724 -7.799 1.00 0.00 H new ATOM 0 HA2 GLY A 143 0.789 0.311 -6.339 1.00 0.00 H new ATOM 0 HA3 GLY A 143 0.378 -1.393 -6.303 1.00 0.00 H new ATOM 319 N GLY A 144 0.939 -0.197 -9.311 1.00 0.00 N ATOM 320 CA GLY A 144 1.743 -0.307 -10.517 1.00 0.00 C ATOM 321 C GLY A 144 2.756 0.826 -10.636 1.00 0.00 C ATOM 322 O GLY A 144 2.658 1.830 -9.946 1.00 0.00 O ATOM 0 H GLY A 144 0.082 0.342 -9.438 1.00 0.00 H new ATOM 0 HA2 GLY A 144 2.267 -1.263 -10.517 1.00 0.00 H new ATOM 0 HA3 GLY A 144 1.090 -0.302 -11.389 1.00 0.00 H new ATOM 326 N LEU A 145 3.745 0.671 -11.512 1.00 0.00 N ATOM 327 CA LEU A 145 4.870 1.590 -11.599 1.00 0.00 C ATOM 328 C LEU A 145 4.936 2.291 -12.945 1.00 0.00 C ATOM 329 O LEU A 145 5.682 3.255 -13.114 1.00 0.00 O ATOM 330 CB LEU A 145 6.191 0.857 -11.363 1.00 0.00 C ATOM 331 CG LEU A 145 6.099 -0.649 -11.595 1.00 0.00 C ATOM 332 CD1 LEU A 145 7.504 -1.193 -11.799 1.00 0.00 C ATOM 333 CD2 LEU A 145 5.530 -1.345 -10.367 1.00 0.00 C ATOM 0 H LEU A 145 3.787 -0.097 -12.181 1.00 0.00 H new ATOM 0 HA LEU A 145 4.715 2.340 -10.823 1.00 0.00 H new ATOM 0 HB2 LEU A 145 6.952 1.273 -12.024 1.00 0.00 H new ATOM 0 HB3 LEU A 145 6.522 1.040 -10.341 1.00 0.00 H new ATOM 0 HG LEU A 145 5.459 -0.829 -12.459 1.00 0.00 H new ATOM 0 HD11 LEU A 145 7.457 -2.269 -11.966 1.00 0.00 H new ATOM 0 HD12 LEU A 145 7.959 -0.711 -12.664 1.00 0.00 H new ATOM 0 HD13 LEU A 145 8.105 -0.990 -10.913 1.00 0.00 H new ATOM 0 HD21 LEU A 145 5.472 -2.418 -10.551 1.00 0.00 H new ATOM 0 HD22 LEU A 145 6.178 -1.158 -9.510 1.00 0.00 H new ATOM 0 HD23 LEU A 145 4.532 -0.958 -10.159 1.00 0.00 H new ATOM 345 N ASP A 146 4.156 1.797 -13.899 1.00 0.00 N ATOM 346 CA ASP A 146 4.142 2.323 -15.249 1.00 0.00 C ATOM 347 C ASP A 146 2.997 3.324 -15.444 1.00 0.00 C ATOM 348 O ASP A 146 2.760 3.793 -16.556 1.00 0.00 O ATOM 349 CB ASP A 146 4.066 1.141 -16.208 1.00 0.00 C ATOM 350 CG ASP A 146 4.130 1.568 -17.672 1.00 0.00 C ATOM 351 OD1 ASP A 146 5.117 2.246 -18.036 1.00 0.00 O ATOM 352 OD2 ASP A 146 3.196 1.211 -18.417 1.00 0.00 O ATOM 0 H ASP A 146 3.515 1.017 -13.752 1.00 0.00 H new ATOM 0 HA ASP A 146 5.053 2.886 -15.452 1.00 0.00 H new ATOM 0 HB2 ASP A 146 4.886 0.454 -15.998 1.00 0.00 H new ATOM 0 HB3 ASP A 146 3.139 0.595 -16.033 1.00 0.00 H new ATOM 357 N HIS A 147 2.279 3.643 -14.361 1.00 0.00 N ATOM 358 CA HIS A 147 1.173 4.594 -14.385 1.00 0.00 C ATOM 359 C HIS A 147 0.914 5.146 -12.982 1.00 0.00 C ATOM 360 O HIS A 147 1.697 4.900 -12.063 1.00 0.00 O ATOM 361 CB HIS A 147 -0.072 3.896 -14.922 1.00 0.00 C ATOM 362 CG HIS A 147 -0.542 2.758 -14.056 1.00 0.00 C ATOM 363 ND1 HIS A 147 -0.050 1.477 -14.044 1.00 0.00 N ATOM 364 CD2 HIS A 147 -1.541 2.815 -13.124 1.00 0.00 C ATOM 365 CE1 HIS A 147 -0.732 0.783 -13.113 1.00 0.00 C ATOM 366 NE2 HIS A 147 -1.665 1.559 -12.527 1.00 0.00 N ATOM 0 H HIS A 147 2.454 3.243 -13.439 1.00 0.00 H new ATOM 0 HA HIS A 147 1.427 5.431 -15.035 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -0.876 4.626 -15.017 1.00 0.00 H new ATOM 0 HB3 HIS A 147 0.136 3.519 -15.923 1.00 0.00 H new ATOM 0 HD1 HIS A 147 0.699 1.115 -14.635 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -2.135 3.686 -12.889 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -0.555 -0.254 -12.869 1.00 0.00 H new ATOM 374 N HIS A 148 -0.186 5.887 -12.815 1.00 0.00 N ATOM 375 CA HIS A 148 -0.571 6.450 -11.528 1.00 0.00 C ATOM 376 C HIS A 148 -2.050 6.199 -11.251 1.00 0.00 C ATOM 377 O HIS A 148 -2.778 5.744 -12.131 1.00 0.00 O ATOM 378 CB HIS A 148 -0.267 7.949 -11.504 1.00 0.00 C ATOM 379 CG HIS A 148 1.202 8.258 -11.469 1.00 0.00 C ATOM 380 ND1 HIS A 148 1.836 9.244 -12.231 1.00 0.00 N ATOM 381 CD2 HIS A 148 2.130 7.632 -10.684 1.00 0.00 C ATOM 382 CE1 HIS A 148 3.133 9.185 -11.884 1.00 0.00 C ATOM 383 NE2 HIS A 148 3.340 8.224 -10.969 1.00 0.00 N ATOM 0 H HIS A 148 -0.832 6.110 -13.572 1.00 0.00 H new ATOM 0 HA HIS A 148 0.007 5.960 -10.744 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -0.708 8.416 -12.384 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -0.746 8.396 -10.633 1.00 0.00 H new ATOM 0 HD2 HIS A 148 1.950 6.833 -9.981 1.00 0.00 H new ATOM 0 HE1 HIS A 148 3.905 9.824 -12.287 1.00 0.00 H new ATOM 0 HE2 HIS A 148 4.239 7.975 -10.556 1.00 0.00 H new ATOM 391 N ALA A 149 -2.493 6.494 -10.027 1.00 0.00 N ATOM 392 CA ALA A 149 -3.840 6.174 -9.570 1.00 0.00 C ATOM 393 C ALA A 149 -4.916 6.812 -10.443 1.00 0.00 C ATOM 394 O ALA A 149 -6.026 6.290 -10.547 1.00 0.00 O ATOM 395 CB ALA A 149 -3.965 6.651 -8.128 1.00 0.00 C ATOM 0 H ALA A 149 -1.922 6.964 -9.324 1.00 0.00 H new ATOM 0 HA ALA A 149 -3.995 5.097 -9.638 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -4.964 6.426 -7.756 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -3.224 6.142 -7.511 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -3.796 7.727 -8.085 1.00 0.00 H new ATOM 401 N LYS A 150 -4.595 7.941 -11.073 1.00 0.00 N ATOM 402 CA LYS A 150 -5.513 8.659 -11.943 1.00 0.00 C ATOM 403 C LYS A 150 -5.568 8.045 -13.336 1.00 0.00 C ATOM 404 O LYS A 150 -6.466 8.344 -14.120 1.00 0.00 O ATOM 405 CB LYS A 150 -5.054 10.108 -12.031 1.00 0.00 C ATOM 406 CG LYS A 150 -3.636 10.186 -12.620 1.00 0.00 C ATOM 407 CD LYS A 150 -3.024 11.553 -12.335 1.00 0.00 C ATOM 408 CE LYS A 150 -2.734 11.669 -10.840 1.00 0.00 C ATOM 409 NZ LYS A 150 -2.320 13.040 -10.489 1.00 0.00 N ATOM 0 H LYS A 150 -3.680 8.384 -10.990 1.00 0.00 H new ATOM 0 HA LYS A 150 -6.517 8.597 -11.524 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -5.745 10.678 -12.653 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.069 10.562 -11.040 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -3.012 9.403 -12.190 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -3.671 10.012 -13.695 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.105 11.680 -12.907 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.706 12.343 -12.648 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -3.623 11.396 -10.271 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -1.949 10.965 -10.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -2.358 13.160 -9.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -1.349 13.205 -10.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -2.961 13.723 -10.941 1.00 0.00 H new ATOM 423 N GLU A 151 -4.602 7.182 -13.634 1.00 0.00 N ATOM 424 CA GLU A 151 -4.521 6.469 -14.904 1.00 0.00 C ATOM 425 C GLU A 151 -4.804 4.979 -14.710 1.00 0.00 C ATOM 426 O GLU A 151 -4.798 4.218 -15.674 1.00 0.00 O ATOM 427 CB GLU A 151 -3.139 6.646 -15.529 1.00 0.00 C ATOM 428 CG GLU A 151 -2.627 8.075 -15.397 1.00 0.00 C ATOM 429 CD GLU A 151 -1.390 8.305 -16.251 1.00 0.00 C ATOM 430 OE1 GLU A 151 -0.356 7.666 -15.946 1.00 0.00 O ATOM 431 OE2 GLU A 151 -1.478 9.116 -17.202 1.00 0.00 O ATOM 0 H GLU A 151 -3.843 6.955 -12.991 1.00 0.00 H new ATOM 0 HA GLU A 151 -5.274 6.888 -15.571 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -2.436 5.964 -15.051 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -3.181 6.373 -16.583 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -3.410 8.772 -15.694 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -2.394 8.284 -14.353 1.00 0.00 H new ATOM 438 N CYS A 152 -5.044 4.563 -13.465 1.00 0.00 N ATOM 439 CA CYS A 152 -5.360 3.187 -13.137 1.00 0.00 C ATOM 440 C CYS A 152 -6.673 2.760 -13.797 1.00 0.00 C ATOM 441 O CYS A 152 -7.452 3.600 -14.245 1.00 0.00 O ATOM 442 CB CYS A 152 -5.405 3.044 -11.619 1.00 0.00 C ATOM 443 SG CYS A 152 -4.975 1.336 -11.222 1.00 0.00 S ATOM 0 H CYS A 152 -5.022 5.183 -12.655 1.00 0.00 H new ATOM 0 HA CYS A 152 -4.588 2.523 -13.526 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -4.706 3.735 -11.148 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -6.398 3.287 -11.240 1.00 0.00 H new ATOM 448 N LYS A 153 -6.920 1.447 -13.856 1.00 0.00 N ATOM 449 CA LYS A 153 -8.048 0.893 -14.593 1.00 0.00 C ATOM 450 C LYS A 153 -8.828 -0.148 -13.792 1.00 0.00 C ATOM 451 O LYS A 153 -9.730 -0.792 -14.323 1.00 0.00 O ATOM 452 CB LYS A 153 -7.570 0.345 -15.936 1.00 0.00 C ATOM 453 CG LYS A 153 -6.251 -0.426 -15.853 1.00 0.00 C ATOM 454 CD LYS A 153 -6.371 -1.712 -15.049 1.00 0.00 C ATOM 455 CE LYS A 153 -7.337 -2.678 -15.726 1.00 0.00 C ATOM 456 NZ LYS A 153 -6.801 -3.194 -17.001 1.00 0.00 N ATOM 0 H LYS A 153 -6.342 0.745 -13.394 1.00 0.00 H new ATOM 0 HA LYS A 153 -8.755 1.702 -14.778 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -8.339 -0.311 -16.345 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -7.453 1.173 -16.635 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -5.910 -0.663 -16.861 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -5.491 0.211 -15.401 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -5.391 -2.179 -14.950 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -6.720 -1.486 -14.041 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -7.544 -3.512 -15.056 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -8.285 -2.173 -15.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -7.395 -3.980 -17.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -6.802 -2.434 -17.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -5.828 -3.532 -16.857 1.00 0.00 H new ATOM 470 N LEU A 154 -8.475 -0.309 -12.520 1.00 0.00 N ATOM 471 CA LEU A 154 -9.182 -1.174 -11.583 1.00 0.00 C ATOM 472 C LEU A 154 -9.711 -0.323 -10.423 1.00 0.00 C ATOM 473 O LEU A 154 -9.302 0.833 -10.279 1.00 0.00 O ATOM 474 CB LEU A 154 -8.270 -2.339 -11.157 1.00 0.00 C ATOM 475 CG LEU A 154 -6.847 -1.940 -10.802 1.00 0.00 C ATOM 476 CD1 LEU A 154 -6.882 -1.288 -9.429 1.00 0.00 C ATOM 477 CD2 LEU A 154 -5.970 -3.184 -10.712 1.00 0.00 C ATOM 0 H LEU A 154 -7.674 0.167 -12.105 1.00 0.00 H new ATOM 0 HA LEU A 154 -10.052 -1.639 -12.047 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -8.718 -2.836 -10.297 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -8.236 -3.069 -11.965 1.00 0.00 H new ATOM 0 HG LEU A 154 -6.448 -1.265 -11.559 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -5.874 -0.989 -9.143 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -7.526 -0.409 -9.460 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -7.271 -1.998 -8.699 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -4.951 -2.893 -10.457 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -6.360 -3.850 -9.942 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -5.971 -3.700 -11.672 1.00 0.00 H new ATOM 489 N PRO A 155 -10.611 -0.856 -9.586 1.00 0.00 N ATOM 490 CA PRO A 155 -11.166 -0.127 -8.458 1.00 0.00 C ATOM 491 C PRO A 155 -10.073 0.139 -7.427 1.00 0.00 C ATOM 492 O PRO A 155 -9.004 -0.459 -7.511 1.00 0.00 O ATOM 493 CB PRO A 155 -12.279 -1.017 -7.905 1.00 0.00 C ATOM 494 CG PRO A 155 -11.854 -2.419 -8.328 1.00 0.00 C ATOM 495 CD PRO A 155 -11.163 -2.195 -9.666 1.00 0.00 C ATOM 0 HA PRO A 155 -11.563 0.849 -8.738 1.00 0.00 H new ATOM 0 HB2 PRO A 155 -12.361 -0.932 -6.821 1.00 0.00 H new ATOM 0 HB3 PRO A 155 -13.251 -0.749 -8.320 1.00 0.00 H new ATOM 0 HG2 PRO A 155 -11.181 -2.871 -7.600 1.00 0.00 H new ATOM 0 HG3 PRO A 155 -12.711 -3.085 -8.426 1.00 0.00 H new ATOM 0 HD2 PRO A 155 -10.380 -2.935 -9.834 1.00 0.00 H new ATOM 0 HD3 PRO A 155 -11.867 -2.282 -10.493 1.00 0.00 H new ATOM 503 N PRO A 156 -10.310 1.024 -6.457 1.00 0.00 N ATOM 504 CA PRO A 156 -9.302 1.435 -5.500 1.00 0.00 C ATOM 505 C PRO A 156 -8.888 0.282 -4.599 1.00 0.00 C ATOM 506 O PRO A 156 -9.558 -0.026 -3.615 1.00 0.00 O ATOM 507 CB PRO A 156 -9.912 2.595 -4.719 1.00 0.00 C ATOM 508 CG PRO A 156 -11.416 2.370 -4.856 1.00 0.00 C ATOM 509 CD PRO A 156 -11.564 1.707 -6.223 1.00 0.00 C ATOM 0 HA PRO A 156 -8.383 1.749 -5.996 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -9.599 2.584 -3.675 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -9.612 3.558 -5.132 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -11.799 1.733 -4.059 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -11.967 3.309 -4.806 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -12.400 1.007 -6.232 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -11.759 2.447 -6.999 1.00 0.00 H new ATOM 517 N GLN A 157 -7.770 -0.351 -4.948 1.00 0.00 N ATOM 518 CA GLN A 157 -7.187 -1.392 -4.128 1.00 0.00 C ATOM 519 C GLN A 157 -6.674 -0.759 -2.840 1.00 0.00 C ATOM 520 O GLN A 157 -6.388 0.439 -2.812 1.00 0.00 O ATOM 521 CB GLN A 157 -6.014 -2.053 -4.857 1.00 0.00 C ATOM 522 CG GLN A 157 -6.394 -2.496 -6.264 1.00 0.00 C ATOM 523 CD GLN A 157 -7.479 -3.561 -6.296 1.00 0.00 C ATOM 524 OE1 GLN A 157 -7.353 -4.615 -5.671 1.00 0.00 O ATOM 525 NE2 GLN A 157 -8.553 -3.293 -7.028 1.00 0.00 N ATOM 0 H GLN A 157 -7.251 -0.153 -5.803 1.00 0.00 H new ATOM 0 HA GLN A 157 -7.941 -2.149 -3.915 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -5.180 -1.354 -4.910 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -5.671 -2.916 -4.285 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -6.732 -1.628 -6.830 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -5.506 -2.879 -6.767 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -8.620 -2.408 -7.531 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -9.312 -3.972 -7.088 1.00 0.00 H new ATOM 534 N PRO A 158 -6.553 -1.549 -1.771 1.00 0.00 N ATOM 535 CA PRO A 158 -6.017 -1.070 -0.521 1.00 0.00 C ATOM 536 C PRO A 158 -4.511 -0.915 -0.662 1.00 0.00 C ATOM 537 O PRO A 158 -3.817 -1.841 -1.080 1.00 0.00 O ATOM 538 CB PRO A 158 -6.394 -2.132 0.499 1.00 0.00 C ATOM 539 CG PRO A 158 -6.445 -3.421 -0.324 1.00 0.00 C ATOM 540 CD PRO A 158 -6.917 -2.950 -1.700 1.00 0.00 C ATOM 0 HA PRO A 158 -6.405 -0.097 -0.219 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -5.658 -2.197 1.300 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -7.355 -1.916 0.966 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -5.468 -3.901 -0.378 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -7.133 -4.147 0.109 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -6.440 -3.521 -2.496 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -7.993 -3.083 -1.813 1.00 0.00 H new ATOM 548 N LYS A 159 -4.006 0.269 -0.311 1.00 0.00 N ATOM 549 CA LYS A 159 -2.581 0.568 -0.364 1.00 0.00 C ATOM 550 C LYS A 159 -1.837 -0.257 0.684 1.00 0.00 C ATOM 551 O LYS A 159 -1.679 0.172 1.828 1.00 0.00 O ATOM 552 CB LYS A 159 -2.298 2.073 -0.239 1.00 0.00 C ATOM 553 CG LYS A 159 -3.379 2.883 0.491 1.00 0.00 C ATOM 554 CD LYS A 159 -2.914 4.321 0.751 1.00 0.00 C ATOM 555 CE LYS A 159 -1.946 4.397 1.923 1.00 0.00 C ATOM 556 NZ LYS A 159 -2.630 4.096 3.195 1.00 0.00 N ATOM 0 H LYS A 159 -4.578 1.047 0.018 1.00 0.00 H new ATOM 0 HA LYS A 159 -2.206 0.282 -1.347 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -1.351 2.206 0.285 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -2.170 2.487 -1.239 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -4.292 2.895 -0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -3.622 2.400 1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -2.433 4.715 -0.144 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -3.779 4.952 0.952 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -1.129 3.692 1.770 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -1.504 5.392 1.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -2.004 3.527 3.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -2.867 4.985 3.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -3.502 3.564 3.003 1.00 0.00 H new ATOM 570 N LYS A 160 -1.379 -1.450 0.293 1.00 0.00 N ATOM 571 CA LYS A 160 -0.631 -2.346 1.163 1.00 0.00 C ATOM 572 C LYS A 160 0.743 -1.771 1.482 1.00 0.00 C ATOM 573 O LYS A 160 1.260 -0.924 0.752 1.00 0.00 O ATOM 574 CB LYS A 160 -0.429 -3.680 0.449 1.00 0.00 C ATOM 575 CG LYS A 160 -1.740 -4.424 0.202 1.00 0.00 C ATOM 576 CD LYS A 160 -1.573 -5.435 -0.925 1.00 0.00 C ATOM 577 CE LYS A 160 -2.744 -5.275 -1.900 1.00 0.00 C ATOM 578 NZ LYS A 160 -2.582 -6.160 -3.064 1.00 0.00 N ATOM 0 H LYS A 160 -1.522 -1.819 -0.647 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.193 -2.475 2.088 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.069 -3.505 -0.505 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.234 -4.309 1.044 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -2.053 -4.934 1.113 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.526 -3.713 -0.052 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -0.626 -5.274 -1.441 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -1.550 -6.448 -0.524 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -3.680 -5.504 -1.391 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -2.807 -4.239 -2.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -3.387 -6.034 -3.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -1.699 -5.923 -3.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -2.545 -7.149 -2.745 1.00 0.00 H new ATOM 592 N CYS A 161 1.331 -2.240 2.580 1.00 0.00 N ATOM 593 CA CYS A 161 2.696 -1.939 2.949 1.00 0.00 C ATOM 594 C CYS A 161 3.631 -2.315 1.793 1.00 0.00 C ATOM 595 O CYS A 161 3.630 -3.458 1.338 1.00 0.00 O ATOM 596 CB CYS A 161 2.994 -2.729 4.224 1.00 0.00 C ATOM 597 SG CYS A 161 4.745 -2.657 4.655 1.00 0.00 S ATOM 0 H CYS A 161 0.856 -2.850 3.245 1.00 0.00 H new ATOM 0 HA CYS A 161 2.849 -0.877 3.141 1.00 0.00 H new ATOM 0 HB2 CYS A 161 2.399 -2.331 5.047 1.00 0.00 H new ATOM 0 HB3 CYS A 161 2.695 -3.768 4.087 1.00 0.00 H new ATOM 602 N HIS A 162 4.433 -1.361 1.315 1.00 0.00 N ATOM 603 CA HIS A 162 5.395 -1.577 0.236 1.00 0.00 C ATOM 604 C HIS A 162 6.531 -2.504 0.659 1.00 0.00 C ATOM 605 O HIS A 162 7.521 -2.622 -0.056 1.00 0.00 O ATOM 606 CB HIS A 162 5.977 -0.231 -0.207 1.00 0.00 C ATOM 607 CG HIS A 162 5.017 0.603 -1.006 1.00 0.00 C ATOM 608 ND1 HIS A 162 4.136 0.122 -1.977 1.00 0.00 N ATOM 609 CD2 HIS A 162 4.879 1.955 -0.899 1.00 0.00 C ATOM 610 CE1 HIS A 162 3.496 1.207 -2.441 1.00 0.00 C ATOM 611 NE2 HIS A 162 3.922 2.316 -1.816 1.00 0.00 N ATOM 0 H HIS A 162 4.431 -0.405 1.672 1.00 0.00 H new ATOM 0 HA HIS A 162 4.865 -2.053 -0.589 1.00 0.00 H new ATOM 0 HB2 HIS A 162 6.286 0.330 0.675 1.00 0.00 H new ATOM 0 HB3 HIS A 162 6.873 -0.410 -0.802 1.00 0.00 H new ATOM 0 HD2 HIS A 162 5.414 2.611 -0.228 1.00 0.00 H new ATOM 0 HE1 HIS A 162 2.741 1.190 -3.213 1.00 0.00 H new ATOM 0 HE2 HIS A 162 3.592 3.265 -1.992 1.00 0.00 H new ATOM 619 N PHE A 163 6.399 -3.160 1.811 1.00 0.00 N ATOM 620 CA PHE A 163 7.498 -3.879 2.418 1.00 0.00 C ATOM 621 C PHE A 163 7.116 -5.292 2.836 1.00 0.00 C ATOM 622 O PHE A 163 7.937 -6.201 2.750 1.00 0.00 O ATOM 623 CB PHE A 163 7.886 -3.044 3.623 1.00 0.00 C ATOM 624 CG PHE A 163 9.298 -3.211 4.099 1.00 0.00 C ATOM 625 CD1 PHE A 163 9.664 -4.361 4.810 1.00 0.00 C ATOM 626 CD2 PHE A 163 10.239 -2.205 3.835 1.00 0.00 C ATOM 627 CE1 PHE A 163 10.995 -4.508 5.242 1.00 0.00 C ATOM 628 CE2 PHE A 163 11.553 -2.344 4.289 1.00 0.00 C ATOM 629 CZ PHE A 163 11.933 -3.496 4.980 1.00 0.00 C ATOM 0 H PHE A 163 5.529 -3.203 2.341 1.00 0.00 H new ATOM 0 HA PHE A 163 8.318 -4.009 1.712 1.00 0.00 H new ATOM 0 HB2 PHE A 163 7.725 -1.993 3.382 1.00 0.00 H new ATOM 0 HB3 PHE A 163 7.213 -3.289 4.445 1.00 0.00 H new ATOM 0 HD1 PHE A 163 8.933 -5.126 5.024 1.00 0.00 H new ATOM 0 HD2 PHE A 163 9.948 -1.324 3.282 1.00 0.00 H new ATOM 0 HE1 PHE A 163 11.295 -5.398 5.775 1.00 0.00 H new ATOM 0 HE2 PHE A 163 12.274 -1.561 4.106 1.00 0.00 H new ATOM 0 HZ PHE A 163 12.953 -3.610 5.315 1.00 0.00 H new ATOM 639 N CYS A 164 5.871 -5.479 3.289 1.00 0.00 N ATOM 640 CA CYS A 164 5.376 -6.794 3.664 1.00 0.00 C ATOM 641 C CYS A 164 3.967 -7.035 3.104 1.00 0.00 C ATOM 642 O CYS A 164 3.325 -8.034 3.421 1.00 0.00 O ATOM 643 CB CYS A 164 5.365 -6.866 5.184 1.00 0.00 C ATOM 644 SG CYS A 164 4.032 -5.809 5.765 1.00 0.00 S ATOM 0 H CYS A 164 5.191 -4.728 3.403 1.00 0.00 H new ATOM 0 HA CYS A 164 6.022 -7.567 3.248 1.00 0.00 H new ATOM 0 HB2 CYS A 164 5.214 -7.892 5.518 1.00 0.00 H new ATOM 0 HB3 CYS A 164 6.321 -6.536 5.590 1.00 0.00 H new ATOM 649 N GLN A 165 3.503 -6.101 2.272 1.00 0.00 N ATOM 650 CA GLN A 165 2.198 -6.116 1.628 1.00 0.00 C ATOM 651 C GLN A 165 1.036 -6.258 2.615 1.00 0.00 C ATOM 652 O GLN A 165 -0.035 -6.748 2.247 1.00 0.00 O ATOM 653 CB GLN A 165 2.158 -7.149 0.496 1.00 0.00 C ATOM 654 CG GLN A 165 3.081 -6.739 -0.658 1.00 0.00 C ATOM 655 CD GLN A 165 4.558 -6.792 -0.285 1.00 0.00 C ATOM 656 OE1 GLN A 165 5.124 -7.870 -0.122 1.00 0.00 O ATOM 657 NE2 GLN A 165 5.205 -5.637 -0.145 1.00 0.00 N ATOM 0 H GLN A 165 4.054 -5.280 2.021 1.00 0.00 H new ATOM 0 HA GLN A 165 2.053 -5.135 1.176 1.00 0.00 H new ATOM 0 HB2 GLN A 165 2.460 -8.124 0.878 1.00 0.00 H new ATOM 0 HB3 GLN A 165 1.137 -7.252 0.130 1.00 0.00 H new ATOM 0 HG2 GLN A 165 2.903 -7.396 -1.510 1.00 0.00 H new ATOM 0 HG3 GLN A 165 2.828 -5.728 -0.977 1.00 0.00 H new ATOM 0 HE21 GLN A 165 4.711 -4.756 -0.286 1.00 0.00 H new ATOM 0 HE22 GLN A 165 6.194 -5.633 0.103 1.00 0.00 H new ATOM 666 N SER A 166 1.233 -5.829 3.864 1.00 0.00 N ATOM 667 CA SER A 166 0.183 -5.827 4.875 1.00 0.00 C ATOM 668 C SER A 166 -0.566 -4.490 4.885 1.00 0.00 C ATOM 669 O SER A 166 0.017 -3.463 5.217 1.00 0.00 O ATOM 670 CB SER A 166 0.829 -6.046 6.237 1.00 0.00 C ATOM 671 OG SER A 166 1.546 -7.264 6.232 1.00 0.00 O ATOM 0 H SER A 166 2.128 -5.473 4.199 1.00 0.00 H new ATOM 0 HA SER A 166 -0.531 -6.619 4.650 1.00 0.00 H new ATOM 0 HB2 SER A 166 1.499 -5.219 6.470 1.00 0.00 H new ATOM 0 HB3 SER A 166 0.065 -6.065 7.014 1.00 0.00 H new ATOM 0 HG SER A 166 2.376 -7.153 5.723 1.00 0.00 H new ATOM 677 N ILE A 167 -1.853 -4.502 4.524 1.00 0.00 N ATOM 678 CA ILE A 167 -2.726 -3.329 4.606 1.00 0.00 C ATOM 679 C ILE A 167 -2.942 -2.876 6.045 1.00 0.00 C ATOM 680 O ILE A 167 -3.331 -1.733 6.281 1.00 0.00 O ATOM 681 CB ILE A 167 -4.088 -3.652 3.988 1.00 0.00 C ATOM 682 CG1 ILE A 167 -4.745 -4.825 4.723 1.00 0.00 C ATOM 683 CG2 ILE A 167 -3.911 -3.977 2.510 1.00 0.00 C ATOM 684 CD1 ILE A 167 -5.839 -5.483 3.889 1.00 0.00 C ATOM 0 H ILE A 167 -2.321 -5.334 4.164 1.00 0.00 H new ATOM 0 HA ILE A 167 -2.235 -2.523 4.060 1.00 0.00 H new ATOM 0 HB ILE A 167 -4.741 -2.784 4.086 1.00 0.00 H new ATOM 0 HG12 ILE A 167 -3.986 -5.566 4.974 1.00 0.00 H new ATOM 0 HG13 ILE A 167 -5.169 -4.472 5.663 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -4.881 -4.207 2.069 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -3.474 -3.119 1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -3.251 -4.838 2.403 1.00 0.00 H new ATOM 0 HD11 ILE A 167 -6.277 -6.309 4.450 1.00 0.00 H new ATOM 0 HD12 ILE A 167 -6.612 -4.750 3.660 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -5.411 -5.861 2.961 1.00 0.00 H new ATOM 696 N SER A 168 -2.690 -3.776 6.995 1.00 0.00 N ATOM 697 CA SER A 168 -2.761 -3.490 8.427 1.00 0.00 C ATOM 698 C SER A 168 -2.029 -2.194 8.748 1.00 0.00 C ATOM 699 O SER A 168 -2.546 -1.344 9.473 1.00 0.00 O ATOM 700 CB SER A 168 -2.215 -4.677 9.213 1.00 0.00 C ATOM 701 OG SER A 168 -2.268 -4.375 10.586 1.00 0.00 O ATOM 0 H SER A 168 -2.427 -4.739 6.788 1.00 0.00 H new ATOM 0 HA SER A 168 -3.800 -3.346 8.723 1.00 0.00 H new ATOM 0 HB2 SER A 168 -2.800 -5.572 9.001 1.00 0.00 H new ATOM 0 HB3 SER A 168 -1.189 -4.889 8.913 1.00 0.00 H new ATOM 0 HG SER A 168 -1.920 -5.133 11.101 1.00 0.00 H new ATOM 707 N HIS A 169 -0.811 -2.055 8.216 1.00 0.00 N ATOM 708 CA HIS A 169 0.041 -0.899 8.440 1.00 0.00 C ATOM 709 C HIS A 169 0.576 -0.386 7.101 1.00 0.00 C ATOM 710 O HIS A 169 0.045 -0.722 6.043 1.00 0.00 O ATOM 711 CB HIS A 169 1.180 -1.281 9.385 1.00 0.00 C ATOM 712 CG HIS A 169 1.988 -2.459 8.912 1.00 0.00 C ATOM 713 ND1 HIS A 169 1.906 -3.747 9.384 1.00 0.00 N ATOM 714 CD2 HIS A 169 2.944 -2.454 7.933 1.00 0.00 C ATOM 715 CE1 HIS A 169 2.792 -4.495 8.696 1.00 0.00 C ATOM 716 NE2 HIS A 169 3.460 -3.744 7.806 1.00 0.00 N ATOM 0 H HIS A 169 -0.389 -2.758 7.609 1.00 0.00 H new ATOM 0 HA HIS A 169 -0.533 -0.097 8.904 1.00 0.00 H new ATOM 0 HB2 HIS A 169 1.842 -0.424 9.508 1.00 0.00 H new ATOM 0 HB3 HIS A 169 0.765 -1.507 10.367 1.00 0.00 H new ATOM 0 HD1 HIS A 169 1.286 -4.078 10.123 1.00 0.00 H new ATOM 0 HD2 HIS A 169 3.249 -1.594 7.355 1.00 0.00 H new ATOM 0 HE1 HIS A 169 2.944 -5.554 8.841 1.00 0.00 H new ATOM 724 N MET A 170 1.622 0.432 7.148 1.00 0.00 N ATOM 725 CA MET A 170 2.275 0.977 5.975 1.00 0.00 C ATOM 726 C MET A 170 3.759 0.670 6.076 1.00 0.00 C ATOM 727 O MET A 170 4.240 0.372 7.163 1.00 0.00 O ATOM 728 CB MET A 170 2.102 2.497 5.974 1.00 0.00 C ATOM 729 CG MET A 170 0.649 2.939 5.842 1.00 0.00 C ATOM 730 SD MET A 170 0.156 3.408 4.165 1.00 0.00 S ATOM 731 CE MET A 170 0.202 1.794 3.352 1.00 0.00 C ATOM 0 H MET A 170 2.045 0.738 8.024 1.00 0.00 H new ATOM 0 HA MET A 170 1.847 0.547 5.069 1.00 0.00 H new ATOM 0 HB2 MET A 170 2.516 2.903 6.897 1.00 0.00 H new ATOM 0 HB3 MET A 170 2.679 2.921 5.152 1.00 0.00 H new ATOM 0 HG2 MET A 170 0.004 2.130 6.184 1.00 0.00 H new ATOM 0 HG3 MET A 170 0.478 3.785 6.507 1.00 0.00 H new ATOM 0 HE1 MET A 170 -0.026 1.914 2.293 1.00 0.00 H new ATOM 0 HE2 MET A 170 1.195 1.359 3.463 1.00 0.00 H new ATOM 0 HE3 MET A 170 -0.536 1.135 3.810 1.00 0.00 H new ATOM 741 N VAL A 171 4.495 0.745 4.971 1.00 0.00 N ATOM 742 CA VAL A 171 5.943 0.645 5.039 1.00 0.00 C ATOM 743 C VAL A 171 6.467 1.729 5.962 1.00 0.00 C ATOM 744 O VAL A 171 7.558 1.618 6.512 1.00 0.00 O ATOM 745 CB VAL A 171 6.544 0.809 3.652 1.00 0.00 C ATOM 746 CG1 VAL A 171 6.428 2.251 3.193 1.00 0.00 C ATOM 747 CG2 VAL A 171 8.017 0.453 3.651 1.00 0.00 C ATOM 0 H VAL A 171 4.117 0.873 4.032 1.00 0.00 H new ATOM 0 HA VAL A 171 6.224 -0.335 5.425 1.00 0.00 H new ATOM 0 HB VAL A 171 5.996 0.144 2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 171 6.863 2.352 2.199 1.00 0.00 H new ATOM 0 HG12 VAL A 171 5.377 2.539 3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 171 6.961 2.898 3.889 1.00 0.00 H new ATOM 0 HG21 VAL A 171 8.421 0.579 2.647 1.00 0.00 H new ATOM 0 HG22 VAL A 171 8.550 1.107 4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 171 8.141 -0.584 3.964 1.00 0.00 H new ATOM 757 N ALA A 172 5.661 2.782 6.129 1.00 0.00 N ATOM 758 CA ALA A 172 5.985 3.885 7.005 1.00 0.00 C ATOM 759 C ALA A 172 6.038 3.446 8.462 1.00 0.00 C ATOM 760 O ALA A 172 6.488 4.192 9.331 1.00 0.00 O ATOM 761 CB ALA A 172 4.929 4.967 6.825 1.00 0.00 C ATOM 0 H ALA A 172 4.764 2.883 5.653 1.00 0.00 H new ATOM 0 HA ALA A 172 6.972 4.266 6.745 1.00 0.00 H new ATOM 0 HB1 ALA A 172 5.156 5.809 7.479 1.00 0.00 H new ATOM 0 HB2 ALA A 172 4.925 5.303 5.788 1.00 0.00 H new ATOM 0 HB3 ALA A 172 3.949 4.564 7.079 1.00 0.00 H new ATOM 767 N SER A 173 5.569 2.224 8.713 1.00 0.00 N ATOM 768 CA SER A 173 5.473 1.649 10.043 1.00 0.00 C ATOM 769 C SER A 173 5.730 0.147 10.015 1.00 0.00 C ATOM 770 O SER A 173 5.428 -0.533 10.996 1.00 0.00 O ATOM 771 CB SER A 173 4.074 1.908 10.598 1.00 0.00 C ATOM 772 OG SER A 173 4.146 2.049 12.001 1.00 0.00 O ATOM 0 H SER A 173 5.240 1.598 7.978 1.00 0.00 H new ATOM 0 HA SER A 173 6.228 2.115 10.676 1.00 0.00 H new ATOM 0 HB2 SER A 173 3.655 2.810 10.152 1.00 0.00 H new ATOM 0 HB3 SER A 173 3.409 1.085 10.338 1.00 0.00 H new ATOM 0 HG SER A 173 3.249 2.217 12.359 1.00 0.00 H new ATOM 778 N CYS A 174 6.275 -0.383 8.907 1.00 0.00 N ATOM 779 CA CYS A 174 6.459 -1.829 8.793 1.00 0.00 C ATOM 780 C CYS A 174 7.205 -2.374 10.013 1.00 0.00 C ATOM 781 O CYS A 174 8.236 -1.820 10.404 1.00 0.00 O ATOM 782 CB CYS A 174 7.166 -2.195 7.486 1.00 0.00 C ATOM 783 SG CYS A 174 6.905 -3.961 7.155 1.00 0.00 S ATOM 0 H CYS A 174 6.587 0.157 8.100 1.00 0.00 H new ATOM 0 HA CYS A 174 5.476 -2.299 8.768 1.00 0.00 H new ATOM 0 HB2 CYS A 174 6.775 -1.595 6.664 1.00 0.00 H new ATOM 0 HB3 CYS A 174 8.232 -1.978 7.560 1.00 0.00 H new ATOM 788 N PRO A 175 6.700 -3.448 10.627 1.00 0.00 N ATOM 789 CA PRO A 175 7.336 -4.057 11.778 1.00 0.00 C ATOM 790 C PRO A 175 8.618 -4.760 11.357 1.00 0.00 C ATOM 791 O PRO A 175 9.454 -5.085 12.196 1.00 0.00 O ATOM 792 CB PRO A 175 6.308 -5.053 12.310 1.00 0.00 C ATOM 793 CG PRO A 175 5.528 -5.454 11.061 1.00 0.00 C ATOM 794 CD PRO A 175 5.487 -4.156 10.264 1.00 0.00 C ATOM 0 HA PRO A 175 7.619 -3.328 12.537 1.00 0.00 H new ATOM 0 HB2 PRO A 175 6.786 -5.913 12.779 1.00 0.00 H new ATOM 0 HB3 PRO A 175 5.660 -4.600 13.061 1.00 0.00 H new ATOM 0 HG2 PRO A 175 6.026 -6.252 10.511 1.00 0.00 H new ATOM 0 HG3 PRO A 175 4.528 -5.812 11.305 1.00 0.00 H new ATOM 0 HD2 PRO A 175 5.452 -4.353 9.193 1.00 0.00 H new ATOM 0 HD3 PRO A 175 4.601 -3.571 10.510 1.00 0.00 H new ATOM 802 N LEU A 176 8.778 -4.999 10.053 1.00 0.00 N ATOM 803 CA LEU A 176 9.957 -5.670 9.547 1.00 0.00 C ATOM 804 C LEU A 176 11.083 -4.669 9.384 1.00 0.00 C ATOM 805 O LEU A 176 12.175 -4.895 9.898 1.00 0.00 O ATOM 806 CB LEU A 176 9.638 -6.290 8.185 1.00 0.00 C ATOM 807 CG LEU A 176 8.402 -7.186 8.235 1.00 0.00 C ATOM 808 CD1 LEU A 176 8.241 -7.845 6.870 1.00 0.00 C ATOM 809 CD2 LEU A 176 8.558 -8.263 9.302 1.00 0.00 C ATOM 0 H LEU A 176 8.102 -4.735 9.337 1.00 0.00 H new ATOM 0 HA LEU A 176 10.260 -6.448 10.248 1.00 0.00 H new ATOM 0 HB2 LEU A 176 9.480 -5.497 7.454 1.00 0.00 H new ATOM 0 HB3 LEU A 176 10.494 -6.873 7.843 1.00 0.00 H new ATOM 0 HG LEU A 176 7.526 -6.586 8.483 1.00 0.00 H new ATOM 0 HD11 LEU A 176 7.363 -8.492 6.879 1.00 0.00 H new ATOM 0 HD12 LEU A 176 8.117 -7.076 6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 176 9.127 -8.439 6.646 1.00 0.00 H new ATOM 0 HD21 LEU A 176 7.666 -8.889 9.320 1.00 0.00 H new ATOM 0 HD22 LEU A 176 9.429 -8.878 9.074 1.00 0.00 H new ATOM 0 HD23 LEU A 176 8.691 -7.793 10.277 1.00 0.00 H new ATOM 821 N LYS A 177 10.834 -3.563 8.671 1.00 0.00 N ATOM 822 CA LYS A 177 11.899 -2.624 8.363 1.00 0.00 C ATOM 823 C LYS A 177 12.591 -2.129 9.623 1.00 0.00 C ATOM 824 O LYS A 177 13.725 -1.666 9.554 1.00 0.00 O ATOM 825 CB LYS A 177 11.374 -1.462 7.529 1.00 0.00 C ATOM 826 CG LYS A 177 10.652 -0.438 8.393 1.00 0.00 C ATOM 827 CD LYS A 177 10.427 0.857 7.609 1.00 0.00 C ATOM 828 CE LYS A 177 11.765 1.552 7.352 1.00 0.00 C ATOM 829 NZ LYS A 177 11.578 2.873 6.744 1.00 0.00 N ATOM 0 H LYS A 177 9.917 -3.306 8.305 1.00 0.00 H new ATOM 0 HA LYS A 177 12.645 -3.154 7.771 1.00 0.00 H new ATOM 0 HB2 LYS A 177 12.203 -0.982 7.009 1.00 0.00 H new ATOM 0 HB3 LYS A 177 10.694 -1.839 6.765 1.00 0.00 H new ATOM 0 HG2 LYS A 177 9.695 -0.842 8.723 1.00 0.00 H new ATOM 0 HG3 LYS A 177 11.237 -0.231 9.289 1.00 0.00 H new ATOM 0 HD2 LYS A 177 9.934 0.637 6.662 1.00 0.00 H new ATOM 0 HD3 LYS A 177 9.765 1.519 8.167 1.00 0.00 H new ATOM 0 HE2 LYS A 177 12.308 1.657 8.291 1.00 0.00 H new ATOM 0 HE3 LYS A 177 12.378 0.933 6.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 12.420 3.458 6.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 11.437 2.767 5.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 10.744 3.333 7.162 1.00 0.00 H new ATOM 843 N ALA A 178 11.910 -2.225 10.764 1.00 0.00 N ATOM 844 CA ALA A 178 12.435 -1.765 12.034 1.00 0.00 C ATOM 845 C ALA A 178 13.724 -2.490 12.422 1.00 0.00 C ATOM 846 O ALA A 178 14.453 -2.045 13.308 1.00 0.00 O ATOM 847 CB ALA A 178 11.376 -2.020 13.095 1.00 0.00 C ATOM 0 H ALA A 178 10.975 -2.627 10.826 1.00 0.00 H new ATOM 0 HA ALA A 178 12.673 -0.705 11.951 1.00 0.00 H new ATOM 0 HB1 ALA A 178 11.744 -1.683 14.064 1.00 0.00 H new ATOM 0 HB2 ALA A 178 10.468 -1.473 12.841 1.00 0.00 H new ATOM 0 HB3 ALA A 178 11.157 -3.087 13.141 1.00 0.00 H new ATOM 853 N GLN A 179 14.006 -3.611 11.754 1.00 0.00 N ATOM 854 CA GLN A 179 15.188 -4.424 11.977 1.00 0.00 C ATOM 855 C GLN A 179 15.759 -4.923 10.646 1.00 0.00 C ATOM 856 O GLN A 179 16.569 -5.846 10.623 1.00 0.00 O ATOM 857 CB GLN A 179 14.879 -5.545 12.986 1.00 0.00 C ATOM 858 CG GLN A 179 13.578 -6.313 12.735 1.00 0.00 C ATOM 859 CD GLN A 179 13.671 -7.390 11.657 1.00 0.00 C ATOM 860 OE1 GLN A 179 14.753 -7.857 11.307 1.00 0.00 O ATOM 861 NE2 GLN A 179 12.524 -7.800 11.119 1.00 0.00 N ATOM 0 H GLN A 179 13.397 -3.982 11.025 1.00 0.00 H new ATOM 0 HA GLN A 179 15.975 -3.819 12.427 1.00 0.00 H new ATOM 0 HB2 GLN A 179 15.707 -6.254 12.981 1.00 0.00 H new ATOM 0 HB3 GLN A 179 14.838 -5.111 13.985 1.00 0.00 H new ATOM 0 HG2 GLN A 179 13.261 -6.779 13.668 1.00 0.00 H new ATOM 0 HG3 GLN A 179 12.801 -5.602 12.453 1.00 0.00 H new ATOM 0 HE21 GLN A 179 11.641 -7.394 11.430 1.00 0.00 H new ATOM 0 HE22 GLN A 179 12.528 -8.520 10.396 1.00 0.00 H new ATOM 870 N GLN A 180 15.332 -4.310 9.540 1.00 0.00 N ATOM 871 CA GLN A 180 15.802 -4.666 8.206 1.00 0.00 C ATOM 872 C GLN A 180 16.374 -3.444 7.495 1.00 0.00 C ATOM 873 O GLN A 180 17.289 -3.572 6.681 1.00 0.00 O ATOM 874 CB GLN A 180 14.634 -5.183 7.368 1.00 0.00 C ATOM 875 CG GLN A 180 13.831 -6.299 8.029 1.00 0.00 C ATOM 876 CD GLN A 180 14.296 -7.677 7.568 1.00 0.00 C ATOM 877 OE1 GLN A 180 14.354 -7.945 6.371 1.00 0.00 O ATOM 878 NE2 GLN A 180 14.630 -8.550 8.510 1.00 0.00 N ATOM 0 H GLN A 180 14.650 -3.552 9.548 1.00 0.00 H new ATOM 0 HA GLN A 180 16.572 -5.430 8.314 1.00 0.00 H new ATOM 0 HB2 GLN A 180 13.965 -4.352 7.147 1.00 0.00 H new ATOM 0 HB3 GLN A 180 15.019 -5.544 6.414 1.00 0.00 H new ATOM 0 HG2 GLN A 180 13.929 -6.225 9.112 1.00 0.00 H new ATOM 0 HG3 GLN A 180 12.774 -6.174 7.795 1.00 0.00 H new ATOM 0 HE21 GLN A 180 14.568 -8.288 9.494 1.00 0.00 H new ATOM 0 HE22 GLN A 180 14.949 -9.483 8.250 1.00 0.00 H new ATOM 887 N GLY A 181 15.839 -2.260 7.801 1.00 0.00 N ATOM 888 CA GLY A 181 16.252 -1.020 7.164 1.00 0.00 C ATOM 889 C GLY A 181 15.473 0.159 7.744 1.00 0.00 C ATOM 890 O GLY A 181 14.667 0.768 7.044 1.00 0.00 O ATOM 0 H GLY A 181 15.106 -2.140 8.500 1.00 0.00 H new ATOM 0 HA2 GLY A 181 17.321 -0.866 7.311 1.00 0.00 H new ATOM 0 HA3 GLY A 181 16.084 -1.082 6.089 1.00 0.00 H new ATOM 894 N PRO A 182 15.709 0.482 9.023 1.00 0.00 N ATOM 895 CA PRO A 182 14.955 1.470 9.786 1.00 0.00 C ATOM 896 C PRO A 182 15.163 2.908 9.314 1.00 0.00 C ATOM 897 O PRO A 182 14.656 3.835 9.946 1.00 0.00 O ATOM 898 CB PRO A 182 15.425 1.298 11.231 1.00 0.00 C ATOM 899 CG PRO A 182 16.848 0.769 11.079 1.00 0.00 C ATOM 900 CD PRO A 182 16.741 -0.123 9.846 1.00 0.00 C ATOM 0 HA PRO A 182 13.885 1.301 9.660 1.00 0.00 H new ATOM 0 HB2 PRO A 182 15.403 2.242 11.776 1.00 0.00 H new ATOM 0 HB3 PRO A 182 14.793 0.599 11.779 1.00 0.00 H new ATOM 0 HG2 PRO A 182 17.567 1.575 10.935 1.00 0.00 H new ATOM 0 HG3 PRO A 182 17.169 0.209 11.958 1.00 0.00 H new ATOM 0 HD2 PRO A 182 17.690 -0.172 9.313 1.00 0.00 H new ATOM 0 HD3 PRO A 182 16.476 -1.144 10.121 1.00 0.00 H new ATOM 908 N SER A 183 15.895 3.114 8.216 1.00 0.00 N ATOM 909 CA SER A 183 16.129 4.446 7.677 1.00 0.00 C ATOM 910 C SER A 183 14.819 5.126 7.295 1.00 0.00 C ATOM 911 O SER A 183 13.827 4.458 7.000 1.00 0.00 O ATOM 912 CB SER A 183 17.030 4.348 6.452 1.00 0.00 C ATOM 913 OG SER A 183 18.239 3.700 6.787 1.00 0.00 O ATOM 0 H SER A 183 16.337 2.365 7.683 1.00 0.00 H new ATOM 0 HA SER A 183 16.612 5.047 8.448 1.00 0.00 H new ATOM 0 HB2 SER A 183 16.521 3.798 5.660 1.00 0.00 H new ATOM 0 HB3 SER A 183 17.239 5.345 6.064 1.00 0.00 H new ATOM 0 HG SER A 183 18.810 3.641 5.992 1.00 0.00 H new ATOM 919 N ALA A 184 14.817 6.459 7.299 1.00 0.00 N ATOM 920 CA ALA A 184 13.639 7.247 6.962 1.00 0.00 C ATOM 921 C ALA A 184 14.012 8.631 6.425 1.00 0.00 C ATOM 922 O ALA A 184 13.144 9.492 6.285 1.00 0.00 O ATOM 923 CB ALA A 184 12.768 7.382 8.209 1.00 0.00 C ATOM 0 H ALA A 184 15.635 7.020 7.537 1.00 0.00 H new ATOM 0 HA ALA A 184 13.092 6.734 6.171 1.00 0.00 H new ATOM 0 HB1 ALA A 184 11.882 7.970 7.972 1.00 0.00 H new ATOM 0 HB2 ALA A 184 12.466 6.392 8.551 1.00 0.00 H new ATOM 0 HB3 ALA A 184 13.334 7.880 8.996 1.00 0.00 H new ATOM 929 N GLN A 185 15.299 8.848 6.124 1.00 0.00 N ATOM 930 CA GLN A 185 15.860 10.136 5.735 1.00 0.00 C ATOM 931 C GLN A 185 15.533 11.251 6.727 1.00 0.00 C ATOM 932 O GLN A 185 14.776 11.071 7.682 1.00 0.00 O ATOM 933 CB GLN A 185 15.396 10.473 4.313 1.00 0.00 C ATOM 934 CG GLN A 185 16.144 9.647 3.269 1.00 0.00 C ATOM 935 CD GLN A 185 17.617 10.028 3.166 1.00 0.00 C ATOM 936 OE1 GLN A 185 18.064 10.998 3.773 1.00 0.00 O ATOM 937 NE2 GLN A 185 18.386 9.269 2.397 1.00 0.00 N ATOM 0 H GLN A 185 15.996 8.104 6.147 1.00 0.00 H new ATOM 0 HA GLN A 185 16.947 10.056 5.749 1.00 0.00 H new ATOM 0 HB2 GLN A 185 14.325 10.288 4.225 1.00 0.00 H new ATOM 0 HB3 GLN A 185 15.553 11.534 4.120 1.00 0.00 H new ATOM 0 HG2 GLN A 185 16.063 8.590 3.521 1.00 0.00 H new ATOM 0 HG3 GLN A 185 15.669 9.780 2.297 1.00 0.00 H new ATOM 0 HE21 GLN A 185 17.985 8.470 1.906 1.00 0.00 H new ATOM 0 HE22 GLN A 185 19.378 9.484 2.297 1.00 0.00 H new ATOM 946 N GLY A 186 16.121 12.427 6.495 1.00 0.00 N ATOM 947 CA GLY A 186 15.953 13.596 7.349 1.00 0.00 C ATOM 948 C GLY A 186 16.984 14.666 7.028 1.00 0.00 C ATOM 949 O GLY A 186 16.797 15.808 7.498 1.00 0.00 O ATOM 950 OXT GLY A 186 17.953 14.327 6.311 1.00 0.00 O ATOM 0 H GLY A 186 16.735 12.592 5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 186 14.950 14.003 7.219 1.00 0.00 H new ATOM 0 HA3 GLY A 186 16.044 13.302 8.395 1.00 0.00 H new TER 954 GLY A 186 ATOM 955 O5' A B 1 11.280 7.602 4.800 1.00 0.00 O ATOM 956 C5' A B 1 10.136 6.837 5.122 1.00 0.00 C ATOM 957 C4' A B 1 8.980 7.267 4.222 1.00 0.00 C ATOM 958 O4' A B 1 9.203 6.726 2.924 1.00 0.00 O ATOM 959 C3' A B 1 7.676 6.703 4.784 1.00 0.00 C ATOM 960 O3' A B 1 6.628 7.672 4.891 1.00 0.00 O ATOM 961 C2' A B 1 7.405 5.538 3.847 1.00 0.00 C ATOM 962 O2' A B 1 6.031 5.327 3.678 1.00 0.00 O ATOM 963 C1' A B 1 8.064 5.973 2.548 1.00 0.00 C ATOM 964 N9 A B 1 8.366 4.837 1.656 1.00 0.00 N ATOM 965 C8 A B 1 7.830 4.615 0.418 1.00 0.00 C ATOM 966 N7 A B 1 8.257 3.528 -0.166 1.00 0.00 N ATOM 967 C5 A B 1 9.125 2.972 0.773 1.00 0.00 C ATOM 968 C6 A B 1 9.892 1.796 0.792 1.00 0.00 C ATOM 969 N6 A B 1 9.939 0.920 -0.219 1.00 0.00 N ATOM 970 N1 A B 1 10.623 1.521 1.876 1.00 0.00 N ATOM 971 C2 A B 1 10.597 2.365 2.898 1.00 0.00 C ATOM 972 N3 A B 1 9.923 3.502 3.017 1.00 0.00 N ATOM 973 C4 A B 1 9.190 3.755 1.897 1.00 0.00 C ATOM 0 H5' A B 1 9.871 6.980 6.170 1.00 0.00 H new ATOM 0 H5'' A B 1 10.343 5.775 4.987 1.00 0.00 H new ATOM 0 H4' A B 1 8.916 8.354 4.174 1.00 0.00 H new ATOM 0 H3' A B 1 7.741 6.384 5.824 1.00 0.00 H new ATOM 0 H2' A B 1 7.793 4.591 4.223 1.00 0.00 H new ATOM 0 HO2' A B 1 5.633 6.104 3.233 1.00 0.00 H new ATOM 0 HO5' A B 1 11.281 7.801 3.840 1.00 0.00 H new ATOM 0 H1' A B 1 7.392 6.585 1.946 1.00 0.00 H new ATOM 0 H8 A B 1 7.114 5.282 -0.038 1.00 0.00 H new ATOM 0 H61 A B 1 10.517 0.083 -0.142 1.00 0.00 H new ATOM 0 H62 A B 1 9.397 1.089 -1.066 1.00 0.00 H new ATOM 0 H2 A B 1 11.206 2.091 3.747 1.00 0.00 H new ATOM 986 P G B 2 6.212 8.756 3.762 1.00 0.00 P ATOM 987 OP1 G B 2 7.073 8.620 2.571 1.00 0.00 O ATOM 988 OP2 G B 2 6.137 10.067 4.440 1.00 0.00 O ATOM 989 O5' G B 2 4.710 8.339 3.343 1.00 0.00 O ATOM 990 C5' G B 2 3.858 9.299 2.746 1.00 0.00 C ATOM 991 C4' G B 2 2.462 8.759 2.432 1.00 0.00 C ATOM 992 O4' G B 2 2.517 7.729 1.460 1.00 0.00 O ATOM 993 C3' G B 2 1.724 8.203 3.656 1.00 0.00 C ATOM 994 O3' G B 2 0.951 9.116 4.426 1.00 0.00 O ATOM 995 C2' G B 2 0.836 7.121 3.054 1.00 0.00 C ATOM 996 O2' G B 2 -0.435 7.580 2.642 1.00 0.00 O ATOM 997 C1' G B 2 1.631 6.683 1.829 1.00 0.00 C ATOM 998 N9 G B 2 2.395 5.466 2.163 1.00 0.00 N ATOM 999 C8 G B 2 3.346 5.277 3.135 1.00 0.00 C ATOM 1000 N7 G B 2 3.722 4.039 3.244 1.00 0.00 N ATOM 1001 C5 G B 2 3.047 3.378 2.233 1.00 0.00 C ATOM 1002 C6 G B 2 3.103 2.014 1.848 1.00 0.00 C ATOM 1003 O6 G B 2 3.752 1.101 2.353 1.00 0.00 O ATOM 1004 N1 G B 2 2.302 1.745 0.761 1.00 0.00 N ATOM 1005 C2 G B 2 1.531 2.679 0.110 1.00 0.00 C ATOM 1006 N2 G B 2 0.828 2.267 -0.940 1.00 0.00 N ATOM 1007 N3 G B 2 1.462 3.972 0.468 1.00 0.00 N ATOM 1008 C4 G B 2 2.248 4.248 1.538 1.00 0.00 C ATOM 0 H5' G B 2 4.317 9.658 1.825 1.00 0.00 H new ATOM 0 H5'' G B 2 3.766 10.157 3.412 1.00 0.00 H new ATOM 0 H4' G B 2 1.910 9.622 2.060 1.00 0.00 H new ATOM 0 H3' G B 2 2.454 7.870 4.394 1.00 0.00 H new ATOM 0 H2' G B 2 0.623 6.341 3.785 1.00 0.00 H new ATOM 0 HO2' G B 2 -0.344 8.458 2.216 1.00 0.00 H new ATOM 0 H1' G B 2 0.960 6.468 0.997 1.00 0.00 H new ATOM 0 H8 G B 2 3.741 6.076 3.746 1.00 0.00 H new ATOM 0 H1 G B 2 2.279 0.786 0.414 1.00 0.00 H new ATOM 0 H21 G B 2 0.242 2.927 -1.452 1.00 0.00 H new ATOM 0 H22 G B 2 0.874 1.291 -1.233 1.00 0.00 H new ATOM 1020 P G B 3 0.328 10.484 3.855 1.00 0.00 P ATOM 1021 OP1 G B 3 1.420 11.464 3.697 1.00 0.00 O ATOM 1022 OP2 G B 3 -0.835 10.833 4.703 1.00 0.00 O ATOM 1023 O5' G B 3 -0.229 10.126 2.390 1.00 0.00 O ATOM 1024 C5' G B 3 -1.190 10.942 1.762 1.00 0.00 C ATOM 1025 C4' G B 3 -1.336 10.514 0.300 1.00 0.00 C ATOM 1026 O4' G B 3 -1.839 9.187 0.233 1.00 0.00 O ATOM 1027 C3' G B 3 -2.317 11.438 -0.425 1.00 0.00 C ATOM 1028 O3' G B 3 -1.751 11.895 -1.639 1.00 0.00 O ATOM 1029 C2' G B 3 -3.519 10.524 -0.651 1.00 0.00 C ATOM 1030 O2' G B 3 -4.239 10.819 -1.827 1.00 0.00 O ATOM 1031 C1' G B 3 -2.869 9.154 -0.726 1.00 0.00 C ATOM 1032 N9 G B 3 -3.852 8.090 -0.454 1.00 0.00 N ATOM 1033 C8 G B 3 -4.229 7.071 -1.280 1.00 0.00 C ATOM 1034 N7 G B 3 -5.163 6.302 -0.794 1.00 0.00 N ATOM 1035 C5 G B 3 -5.427 6.861 0.458 1.00 0.00 C ATOM 1036 C6 G B 3 -6.360 6.472 1.458 1.00 0.00 C ATOM 1037 O6 G B 3 -7.161 5.536 1.432 1.00 0.00 O ATOM 1038 N1 G B 3 -6.301 7.294 2.574 1.00 0.00 N ATOM 1039 C2 G B 3 -5.461 8.373 2.706 1.00 0.00 C ATOM 1040 N2 G B 3 -5.526 9.066 3.845 1.00 0.00 N ATOM 1041 N3 G B 3 -4.597 8.759 1.767 1.00 0.00 N ATOM 1042 C4 G B 3 -4.625 7.953 0.675 1.00 0.00 C ATOM 0 H5' G B 3 -0.889 11.988 1.819 1.00 0.00 H new ATOM 0 H5'' G B 3 -2.148 10.857 2.275 1.00 0.00 H new ATOM 0 H4' G B 3 -0.356 10.569 -0.173 1.00 0.00 H new ATOM 0 H3' G B 3 -2.578 12.343 0.123 1.00 0.00 H new ATOM 0 H2' G B 3 -4.270 10.625 0.133 1.00 0.00 H new ATOM 0 HO2' G B 3 -4.490 11.766 -1.828 1.00 0.00 H new ATOM 0 H1' G B 3 -2.475 8.933 -1.718 1.00 0.00 H new ATOM 0 H8 G B 3 -3.790 6.915 -2.254 1.00 0.00 H new ATOM 0 H1 G B 3 -6.926 7.082 3.352 1.00 0.00 H new ATOM 0 H21 G B 3 -4.920 9.875 3.985 1.00 0.00 H new ATOM 0 H22 G B 3 -6.181 8.787 4.575 1.00 0.00 H new ATOM 1054 P A B 4 -2.366 13.165 -2.418 1.00 0.00 P ATOM 1055 OP1 A B 4 -1.401 14.287 -2.338 1.00 0.00 O ATOM 1056 OP2 A B 4 -3.756 13.376 -1.956 1.00 0.00 O ATOM 1057 O5' A B 4 -2.441 12.691 -3.948 1.00 0.00 O ATOM 1058 C5' A B 4 -1.259 12.439 -4.682 1.00 0.00 C ATOM 1059 C4' A B 4 -1.526 12.436 -6.187 1.00 0.00 C ATOM 1060 O4' A B 4 -2.133 11.215 -6.592 1.00 0.00 O ATOM 1061 C3' A B 4 -2.477 13.569 -6.553 1.00 0.00 C ATOM 1062 O3' A B 4 -2.225 14.072 -7.848 1.00 0.00 O ATOM 1063 C2' A B 4 -3.832 12.872 -6.539 1.00 0.00 C ATOM 1064 O2' A B 4 -4.740 13.466 -7.443 1.00 0.00 O ATOM 1065 C1' A B 4 -3.487 11.444 -6.936 1.00 0.00 C ATOM 1066 N9 A B 4 -4.357 10.494 -6.221 1.00 0.00 N ATOM 1067 C8 A B 4 -4.403 10.239 -4.881 1.00 0.00 C ATOM 1068 N7 A B 4 -5.256 9.306 -4.544 1.00 0.00 N ATOM 1069 C5 A B 4 -5.844 8.950 -5.761 1.00 0.00 C ATOM 1070 C6 A B 4 -6.841 8.023 -6.122 1.00 0.00 C ATOM 1071 N6 A B 4 -7.458 7.212 -5.260 1.00 0.00 N ATOM 1072 N1 A B 4 -7.207 7.941 -7.410 1.00 0.00 N ATOM 1073 C2 A B 4 -6.600 8.724 -8.293 1.00 0.00 C ATOM 1074 N3 A B 4 -5.639 9.616 -8.097 1.00 0.00 N ATOM 1075 C4 A B 4 -5.306 9.680 -6.785 1.00 0.00 C ATOM 0 H5' A B 4 -0.842 11.477 -4.383 1.00 0.00 H new ATOM 0 H5'' A B 4 -0.513 13.198 -4.445 1.00 0.00 H new ATOM 0 H4' A B 4 -0.567 12.560 -6.690 1.00 0.00 H new ATOM 0 H3' A B 4 -2.390 14.421 -5.879 1.00 0.00 H new ATOM 0 H2' A B 4 -4.334 12.936 -5.573 1.00 0.00 H new ATOM 0 HO2' A B 4 -4.256 14.071 -8.043 1.00 0.00 H new ATOM 0 H1' A B 4 -3.638 11.301 -8.006 1.00 0.00 H new ATOM 0 H8 A B 4 -3.789 10.761 -4.162 1.00 0.00 H new ATOM 0 H61 A B 4 -8.172 6.564 -5.592 1.00 0.00 H new ATOM 0 H62 A B 4 -7.215 7.241 -4.270 1.00 0.00 H new ATOM 0 H2 A B 4 -6.936 8.620 -9.314 1.00 0.00 H new ATOM 1087 P G B 5 -1.249 15.321 -8.087 1.00 0.00 P ATOM 1088 OP1 G B 5 -1.254 16.153 -6.864 1.00 0.00 O ATOM 1089 OP2 G B 5 -1.615 15.927 -9.384 1.00 0.00 O ATOM 1090 O5' G B 5 0.200 14.655 -8.239 1.00 0.00 O ATOM 1091 C5' G B 5 1.315 15.220 -7.579 1.00 0.00 C ATOM 1092 C4' G B 5 2.573 14.397 -7.824 1.00 0.00 C ATOM 1093 O4' G B 5 2.336 13.080 -7.379 1.00 0.00 O ATOM 1094 C3' G B 5 2.984 14.351 -9.293 1.00 0.00 C ATOM 1095 O3' G B 5 4.396 14.425 -9.347 1.00 0.00 O ATOM 1096 C2' G B 5 2.467 12.988 -9.724 1.00 0.00 C ATOM 1097 O2' G B 5 3.219 12.444 -10.786 1.00 0.00 O ATOM 1098 C1' G B 5 2.567 12.168 -8.439 1.00 0.00 C ATOM 1099 N9 G B 5 1.512 11.137 -8.412 1.00 0.00 N ATOM 1100 C8 G B 5 0.199 11.256 -8.785 1.00 0.00 C ATOM 1101 N7 G B 5 -0.493 10.159 -8.673 1.00 0.00 N ATOM 1102 C5 G B 5 0.431 9.244 -8.177 1.00 0.00 C ATOM 1103 C6 G B 5 0.256 7.877 -7.806 1.00 0.00 C ATOM 1104 O6 G B 5 -0.766 7.198 -7.859 1.00 0.00 O ATOM 1105 N1 G B 5 1.427 7.315 -7.335 1.00 0.00 N ATOM 1106 C2 G B 5 2.636 7.959 -7.288 1.00 0.00 C ATOM 1107 N2 G B 5 3.674 7.234 -6.877 1.00 0.00 N ATOM 1108 N3 G B 5 2.817 9.238 -7.629 1.00 0.00 N ATOM 1109 C4 G B 5 1.671 9.822 -8.060 1.00 0.00 C ATOM 0 H5' G B 5 1.117 15.277 -6.509 1.00 0.00 H new ATOM 0 H5'' G B 5 1.470 16.240 -7.930 1.00 0.00 H new ATOM 0 H4' G B 5 3.387 14.873 -7.278 1.00 0.00 H new ATOM 0 H3' G B 5 2.601 15.153 -9.924 1.00 0.00 H new ATOM 0 H2' G B 5 1.454 13.016 -10.125 1.00 0.00 H new ATOM 0 HO2' G B 5 2.643 11.871 -11.334 1.00 0.00 H new ATOM 0 H1' G B 5 3.535 11.674 -8.362 1.00 0.00 H new ATOM 0 H8 G B 5 -0.226 12.182 -9.142 1.00 0.00 H new ATOM 0 H1 G B 5 1.389 6.353 -6.998 1.00 0.00 H new ATOM 0 H21 G B 5 4.601 7.656 -6.820 1.00 0.00 H new ATOM 0 H22 G B 5 3.543 6.256 -6.619 1.00 0.00 H new ATOM 1121 P A B 6 5.109 15.433 -10.362 1.00 0.00 P ATOM 1122 OP1 A B 6 6.550 15.484 -10.036 1.00 0.00 O ATOM 1123 OP2 A B 6 4.326 16.687 -10.387 1.00 0.00 O ATOM 1124 O5' A B 6 4.951 14.700 -11.780 1.00 0.00 O ATOM 1125 C5' A B 6 5.826 13.656 -12.144 1.00 0.00 C ATOM 1126 C4' A B 6 5.527 13.197 -13.569 1.00 0.00 C ATOM 1127 O4' A B 6 5.750 14.269 -14.475 1.00 0.00 O ATOM 1128 C3' A B 6 6.502 12.089 -13.963 1.00 0.00 C ATOM 1129 O3' A B 6 5.870 11.371 -15.004 1.00 0.00 O ATOM 1130 C2' A B 6 7.660 12.949 -14.464 1.00 0.00 C ATOM 1131 O2' A B 6 8.634 12.259 -15.220 1.00 0.00 O ATOM 1132 C1' A B 6 6.850 13.924 -15.294 1.00 0.00 C ATOM 1133 N9 A B 6 7.609 15.107 -15.743 1.00 0.00 N ATOM 1134 C8 A B 6 8.750 15.663 -15.232 1.00 0.00 C ATOM 1135 N7 A B 6 9.180 16.700 -15.890 1.00 0.00 N ATOM 1136 C5 A B 6 8.248 16.846 -16.915 1.00 0.00 C ATOM 1137 C6 A B 6 8.107 17.761 -17.971 1.00 0.00 C ATOM 1138 N6 A B 6 8.947 18.770 -18.194 1.00 0.00 N ATOM 1139 N1 A B 6 7.067 17.611 -18.808 1.00 0.00 N ATOM 1140 C2 A B 6 6.220 16.611 -18.609 1.00 0.00 C ATOM 1141 N3 A B 6 6.237 15.688 -17.667 1.00 0.00 N ATOM 1142 C4 A B 6 7.292 15.871 -16.838 1.00 0.00 C ATOM 0 H5' A B 6 5.715 12.820 -11.453 1.00 0.00 H new ATOM 0 H5'' A B 6 6.860 13.995 -12.072 1.00 0.00 H new ATOM 0 H4' A B 6 4.493 12.853 -13.609 1.00 0.00 H new ATOM 0 H3' A B 6 6.807 11.361 -13.211 1.00 0.00 H new ATOM 0 H2' A B 6 8.287 13.373 -13.680 1.00 0.00 H new ATOM 0 HO2' A B 6 8.607 11.305 -14.996 1.00 0.00 H new ATOM 0 H1' A B 6 6.541 13.465 -16.233 1.00 0.00 H new ATOM 0 H8 A B 6 9.251 15.275 -14.358 1.00 0.00 H new ATOM 0 H61 A B 6 8.789 19.401 -18.980 1.00 0.00 H new ATOM 0 H62 A B 6 9.748 18.912 -17.579 1.00 0.00 H new ATOM 0 H2 A B 6 5.405 16.543 -19.314 1.00 0.00 H new ATOM 1154 P U B 7 6.361 9.933 -15.513 1.00 0.00 P ATOM 1155 OP1 U B 7 5.749 8.900 -14.649 1.00 0.00 O ATOM 1156 OP2 U B 7 7.826 9.952 -15.710 1.00 0.00 O ATOM 1157 O5' U B 7 5.661 9.892 -16.957 1.00 0.00 O ATOM 1158 C5' U B 7 6.004 10.853 -17.933 1.00 0.00 C ATOM 1159 C4' U B 7 5.061 10.755 -19.129 1.00 0.00 C ATOM 1160 O4' U B 7 3.750 11.134 -18.720 1.00 0.00 O ATOM 1161 C3' U B 7 5.483 11.760 -20.203 1.00 0.00 C ATOM 1162 O3' U B 7 4.959 11.351 -21.451 1.00 0.00 O ATOM 1163 C2' U B 7 4.795 13.022 -19.698 1.00 0.00 C ATOM 1164 O2' U B 7 4.623 13.995 -20.714 1.00 0.00 O ATOM 1165 C1' U B 7 3.473 12.447 -19.194 1.00 0.00 C ATOM 1166 N1 U B 7 2.825 13.298 -18.168 1.00 0.00 N ATOM 1167 C2 U B 7 1.450 13.445 -18.245 1.00 0.00 C ATOM 1168 O2 U B 7 0.765 12.872 -19.089 1.00 0.00 O ATOM 1169 N3 U B 7 0.861 14.275 -17.310 1.00 0.00 N ATOM 1170 C4 U B 7 1.515 14.939 -16.293 1.00 0.00 C ATOM 1171 O4 U B 7 0.882 15.643 -15.499 1.00 0.00 O ATOM 1172 C5 U B 7 2.941 14.727 -16.265 1.00 0.00 C ATOM 1173 C6 U B 7 3.542 13.929 -17.180 1.00 0.00 C ATOM 0 H5' U B 7 7.033 10.699 -18.259 1.00 0.00 H new ATOM 0 H5'' U B 7 5.953 11.853 -17.502 1.00 0.00 H new ATOM 0 H4' U B 7 5.088 9.734 -19.510 1.00 0.00 H new ATOM 0 H3' U B 7 6.557 11.875 -20.350 1.00 0.00 H new ATOM 0 H2' U B 7 5.359 13.568 -18.942 1.00 0.00 H new ATOM 0 HO2' U B 7 4.122 14.757 -20.355 1.00 0.00 H new ATOM 0 HO3' U B 7 4.614 12.132 -21.933 1.00 0.00 H new ATOM 0 H1' U B 7 2.746 12.414 -20.005 1.00 0.00 H new ATOM 0 H3 U B 7 -0.148 14.409 -17.378 1.00 0.00 H new ATOM 0 H5 U B 7 3.537 15.210 -15.505 1.00 0.00 H new ATOM 0 H6 U B 7 4.611 13.785 -17.132 1.00 0.00 H new TER 1185 U B 7 HETATM 1186 ZN ZN A 187 -2.891 1.464 -10.814 1.00 0.00 ZN HETATM 1187 ZN ZN A 188 4.948 -3.982 6.307 1.00 0.00 ZN