USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 507 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 34 HIS HE2 : A 34 HIS NE2 : A 57 ZNZN :(H bumps) USER MOD Set 1.1: A 37 LYS NZ :NH3+ -115:sc= 0.19 (180deg=-2.39!) USER MOD Set 1.2: B 307 C O2' : rot 150:sc= -0.444 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc=-0.00699 X(o=-0.007,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -3.7! C(o=-3.7!,f=-11!) USER MOD Single : A 25 GLN : amide:sc= -1.62 K(o=-1.6,f=-3.5!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 141:sc= 0.958 (180deg=-0.0844) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 145:sc= 0.16 (180deg=-1.15!) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.078 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : B 304 U O2' : rot -19:sc= 0.562 USER MOD Single : B 305 A O2' : rot -29:sc= 0.477 USER MOD Single : B 306 U O2' : rot 9:sc= -0.954 USER MOD Single : B 308 U O2' : rot 18:sc= -0.733 USER MOD Single : B 309 G O2' : rot -27:sc= 0.0607 USER MOD Single : B 309 G O3' : rot 180:sc= 0.341 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -27.015 29.910 -18.591 1.00 0.00 N ATOM 2 CA ALA A 1 -26.527 28.921 -17.646 1.00 0.00 C ATOM 3 C ALA A 1 -26.224 27.618 -18.388 1.00 0.00 C ATOM 4 O ALA A 1 -27.135 26.954 -18.880 1.00 0.00 O ATOM 5 CB ALA A 1 -27.555 28.731 -16.529 1.00 0.00 C ATOM 0 H1 ALA A 1 -27.222 30.797 -18.089 1.00 0.00 H new ATOM 0 H2 ALA A 1 -26.291 30.084 -19.317 1.00 0.00 H new ATOM 0 H3 ALA A 1 -27.882 29.558 -19.045 1.00 0.00 H new ATOM 0 HA ALA A 1 -25.600 29.259 -17.182 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -27.189 27.989 -15.820 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -27.712 29.679 -16.014 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -28.498 28.390 -16.956 1.00 0.00 H new ATOM 11 N THR A 2 -24.941 27.291 -18.444 1.00 0.00 N ATOM 12 CA THR A 2 -24.507 26.080 -19.118 1.00 0.00 C ATOM 13 C THR A 2 -23.414 25.380 -18.307 1.00 0.00 C ATOM 14 O THR A 2 -22.481 26.025 -17.830 1.00 0.00 O ATOM 15 CB THR A 2 -24.065 26.458 -20.534 1.00 0.00 C ATOM 16 OG1 THR A 2 -25.275 26.833 -21.186 1.00 0.00 O ATOM 17 CG2 THR A 2 -23.568 25.252 -21.334 1.00 0.00 C ATOM 0 H THR A 2 -24.189 27.844 -18.034 1.00 0.00 H new ATOM 0 HA THR A 2 -25.321 25.359 -19.198 1.00 0.00 H new ATOM 0 HB THR A 2 -23.275 27.207 -20.480 1.00 0.00 H new ATOM 0 HG1 THR A 2 -25.081 27.095 -22.110 1.00 0.00 H new ATOM 0 HG21 THR A 2 -23.267 25.575 -22.330 1.00 0.00 H new ATOM 0 HG22 THR A 2 -22.715 24.804 -20.825 1.00 0.00 H new ATOM 0 HG23 THR A 2 -24.368 24.516 -21.418 1.00 0.00 H new ATOM 25 N VAL A 3 -23.565 24.071 -18.176 1.00 0.00 N ATOM 26 CA VAL A 3 -22.602 23.277 -17.431 1.00 0.00 C ATOM 27 C VAL A 3 -22.730 21.810 -17.843 1.00 0.00 C ATOM 28 O VAL A 3 -21.729 21.146 -18.109 1.00 0.00 O ATOM 29 CB VAL A 3 -22.796 23.495 -15.929 1.00 0.00 C ATOM 30 CG1 VAL A 3 -24.217 23.122 -15.499 1.00 0.00 C ATOM 31 CG2 VAL A 3 -21.756 22.714 -15.123 1.00 0.00 C ATOM 0 H VAL A 3 -24.340 23.539 -18.573 1.00 0.00 H new ATOM 0 HA VAL A 3 -21.585 23.592 -17.664 1.00 0.00 H new ATOM 0 HB VAL A 3 -22.652 24.556 -15.723 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -24.328 23.286 -14.427 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -24.934 23.742 -16.037 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -24.402 22.072 -15.726 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -21.916 22.886 -14.059 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -21.854 21.650 -15.337 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -20.756 23.049 -15.398 1.00 0.00 H new ATOM 41 N VAL A 4 -23.970 21.344 -17.884 1.00 0.00 N ATOM 42 CA VAL A 4 -24.241 19.967 -18.259 1.00 0.00 C ATOM 43 C VAL A 4 -24.096 19.818 -19.775 1.00 0.00 C ATOM 44 O VAL A 4 -24.458 20.721 -20.528 1.00 0.00 O ATOM 45 CB VAL A 4 -25.621 19.547 -17.747 1.00 0.00 C ATOM 46 CG1 VAL A 4 -26.732 20.278 -18.502 1.00 0.00 C ATOM 47 CG2 VAL A 4 -25.800 18.031 -17.838 1.00 0.00 C ATOM 0 H VAL A 4 -24.799 21.897 -17.663 1.00 0.00 H new ATOM 0 HA VAL A 4 -23.518 19.296 -17.795 1.00 0.00 H new ATOM 0 HB VAL A 4 -25.690 19.830 -16.697 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -27.702 19.961 -18.119 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -26.620 21.353 -18.362 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -26.667 20.041 -19.564 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -26.788 17.758 -17.468 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -25.701 17.715 -18.876 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -25.038 17.538 -17.234 1.00 0.00 H new ATOM 57 N SER A 5 -23.565 18.673 -20.176 1.00 0.00 N ATOM 58 CA SER A 5 -23.368 18.394 -21.589 1.00 0.00 C ATOM 59 C SER A 5 -22.204 19.228 -22.129 1.00 0.00 C ATOM 60 O SER A 5 -21.214 18.680 -22.612 1.00 0.00 O ATOM 61 CB SER A 5 -24.640 18.677 -22.390 1.00 0.00 C ATOM 62 OG SER A 5 -24.814 17.753 -23.460 1.00 0.00 O ATOM 0 H SER A 5 -23.265 17.927 -19.548 1.00 0.00 H new ATOM 0 HA SER A 5 -23.131 17.336 -21.699 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.504 18.630 -21.727 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.599 19.690 -22.789 1.00 0.00 H new ATOM 0 HG SER A 5 -25.638 17.966 -23.946 1.00 0.00 H new ATOM 68 N GLY A 6 -22.361 20.540 -22.029 1.00 0.00 N ATOM 69 CA GLY A 6 -21.336 21.455 -22.502 1.00 0.00 C ATOM 70 C GLY A 6 -19.966 21.085 -21.932 1.00 0.00 C ATOM 71 O GLY A 6 -19.677 21.366 -20.770 1.00 0.00 O ATOM 0 H GLY A 6 -23.183 20.991 -21.627 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -21.299 21.433 -23.591 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -21.591 22.474 -22.212 1.00 0.00 H new ATOM 75 N GLN A 7 -19.159 20.460 -22.776 1.00 0.00 N ATOM 76 CA GLN A 7 -17.825 20.048 -22.371 1.00 0.00 C ATOM 77 C GLN A 7 -16.779 20.613 -23.334 1.00 0.00 C ATOM 78 O GLN A 7 -17.059 20.806 -24.516 1.00 0.00 O ATOM 79 CB GLN A 7 -17.725 18.524 -22.284 1.00 0.00 C ATOM 80 CG GLN A 7 -18.040 18.033 -20.869 1.00 0.00 C ATOM 81 CD GLN A 7 -17.420 16.657 -20.616 1.00 0.00 C ATOM 82 OE1 GLN A 7 -17.680 15.693 -21.316 1.00 0.00 O ATOM 83 NE2 GLN A 7 -16.587 16.622 -19.579 1.00 0.00 N ATOM 0 H GLN A 7 -19.403 20.229 -23.739 1.00 0.00 H new ATOM 0 HA GLN A 7 -17.628 20.449 -21.377 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -18.417 18.070 -22.993 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -16.722 18.205 -22.569 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -17.659 18.747 -20.139 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -19.120 17.980 -20.730 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -16.414 17.467 -19.035 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -16.121 15.750 -19.328 1.00 0.00 H new ATOM 92 N LYS A 8 -15.596 20.863 -22.793 1.00 0.00 N ATOM 93 CA LYS A 8 -14.507 21.402 -23.589 1.00 0.00 C ATOM 94 C LYS A 8 -14.144 20.403 -24.690 1.00 0.00 C ATOM 95 O LYS A 8 -13.432 19.431 -24.441 1.00 0.00 O ATOM 96 CB LYS A 8 -13.328 21.786 -22.694 1.00 0.00 C ATOM 97 CG LYS A 8 -12.303 22.622 -23.464 1.00 0.00 C ATOM 98 CD LYS A 8 -12.315 24.076 -22.990 1.00 0.00 C ATOM 99 CE LYS A 8 -13.150 24.952 -23.927 1.00 0.00 C ATOM 100 NZ LYS A 8 -12.336 25.406 -25.076 1.00 0.00 N ATOM 0 H LYS A 8 -15.368 20.702 -21.812 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.815 22.324 -24.083 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -13.689 22.349 -21.833 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.851 20.885 -22.308 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.308 22.199 -23.328 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.523 22.582 -24.531 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.720 24.129 -21.979 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -11.294 24.456 -22.945 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.014 24.391 -24.285 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.533 25.815 -23.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.918 25.999 -25.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.526 25.959 -24.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.991 24.580 -25.605 1.00 0.00 H new ATOM 114 N GLN A 9 -14.650 20.677 -25.884 1.00 0.00 N ATOM 115 CA GLN A 9 -14.388 19.816 -27.023 1.00 0.00 C ATOM 116 C GLN A 9 -13.650 20.591 -28.117 1.00 0.00 C ATOM 117 O GLN A 9 -14.268 21.320 -28.891 1.00 0.00 O ATOM 118 CB GLN A 9 -15.685 19.210 -27.563 1.00 0.00 C ATOM 119 CG GLN A 9 -15.445 17.802 -28.112 1.00 0.00 C ATOM 120 CD GLN A 9 -16.212 16.758 -27.298 1.00 0.00 C ATOM 121 OE1 GLN A 9 -15.726 16.220 -26.316 1.00 0.00 O ATOM 122 NE2 GLN A 9 -17.432 16.501 -27.759 1.00 0.00 N ATOM 0 H GLN A 9 -15.240 21.484 -26.086 1.00 0.00 H new ATOM 0 HA GLN A 9 -13.751 18.995 -26.693 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -16.431 19.172 -26.769 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -16.088 19.847 -28.350 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -15.758 17.756 -29.155 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -14.379 17.575 -28.088 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -17.777 16.987 -28.586 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -18.023 15.818 -27.285 1.00 0.00 H new ATOM 131 N ASP A 10 -12.337 20.408 -28.145 1.00 0.00 N ATOM 132 CA ASP A 10 -11.509 21.081 -29.130 1.00 0.00 C ATOM 133 C ASP A 10 -11.337 20.174 -30.350 1.00 0.00 C ATOM 134 O ASP A 10 -10.966 19.010 -30.216 1.00 0.00 O ATOM 135 CB ASP A 10 -10.119 21.383 -28.566 1.00 0.00 C ATOM 136 CG ASP A 10 -9.994 22.723 -27.836 1.00 0.00 C ATOM 137 OD1 ASP A 10 -10.356 22.753 -26.641 1.00 0.00 O ATOM 138 OD2 ASP A 10 -9.539 23.685 -28.491 1.00 0.00 O ATOM 0 H ASP A 10 -11.827 19.803 -27.501 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.999 22.016 -29.401 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.841 20.584 -27.878 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.399 21.364 -29.384 1.00 0.00 H new ATOM 143 N ARG A 11 -11.615 20.744 -31.514 1.00 0.00 N ATOM 144 CA ARG A 11 -11.496 20.001 -32.757 1.00 0.00 C ATOM 145 C ARG A 11 -10.074 20.114 -33.309 1.00 0.00 C ATOM 146 O ARG A 11 -9.491 21.198 -33.319 1.00 0.00 O ATOM 147 CB ARG A 11 -12.484 20.520 -33.804 1.00 0.00 C ATOM 148 CG ARG A 11 -13.120 19.363 -34.578 1.00 0.00 C ATOM 149 CD ARG A 11 -12.257 18.964 -35.777 1.00 0.00 C ATOM 150 NE ARG A 11 -13.026 19.127 -37.031 1.00 0.00 N ATOM 151 CZ ARG A 11 -12.596 18.720 -38.233 1.00 0.00 C ATOM 152 NH1 ARG A 11 -11.403 18.124 -38.352 1.00 0.00 N ATOM 153 NH2 ARG A 11 -13.362 18.909 -39.317 1.00 0.00 N ATOM 0 H ARG A 11 -11.922 21.711 -31.622 1.00 0.00 H new ATOM 0 HA ARG A 11 -11.724 18.957 -32.543 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.262 21.107 -33.316 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.969 21.186 -34.496 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.249 18.506 -33.917 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.113 19.653 -34.921 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.358 19.580 -35.809 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.931 17.929 -35.673 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.940 19.577 -36.977 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.821 17.979 -37.527 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.077 17.815 -39.267 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.271 19.362 -39.226 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.036 18.600 -40.232 1.00 0.00 H new ATOM 167 N GLN A 12 -9.553 18.979 -33.753 1.00 0.00 N ATOM 168 CA GLN A 12 -8.210 18.937 -34.305 1.00 0.00 C ATOM 169 C GLN A 12 -8.121 17.879 -35.406 1.00 0.00 C ATOM 170 O GLN A 12 -7.962 16.693 -35.123 1.00 0.00 O ATOM 171 CB GLN A 12 -7.175 18.674 -33.209 1.00 0.00 C ATOM 172 CG GLN A 12 -6.775 19.975 -32.509 1.00 0.00 C ATOM 173 CD GLN A 12 -5.256 20.152 -32.509 1.00 0.00 C ATOM 174 OE1 GLN A 12 -4.503 19.282 -32.102 1.00 0.00 O ATOM 175 NE2 GLN A 12 -4.849 21.325 -32.987 1.00 0.00 N ATOM 0 H GLN A 12 -10.037 18.081 -33.741 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.989 19.910 -34.744 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.583 17.975 -32.479 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.292 18.204 -33.643 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.243 20.821 -33.011 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.144 19.969 -31.483 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -5.533 22.009 -33.311 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.853 21.541 -33.029 1.00 0.00 H new ATOM 184 N GLY A 13 -8.229 18.347 -36.641 1.00 0.00 N ATOM 185 CA GLY A 13 -8.163 17.456 -37.787 1.00 0.00 C ATOM 186 C GLY A 13 -8.223 18.244 -39.098 1.00 0.00 C ATOM 187 O GLY A 13 -8.208 19.473 -39.089 1.00 0.00 O ATOM 0 H GLY A 13 -8.362 19.331 -36.873 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.241 16.876 -37.749 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.988 16.745 -37.748 1.00 0.00 H new ATOM 191 N GLY A 14 -8.290 17.502 -40.195 1.00 0.00 N ATOM 192 CA GLY A 14 -8.353 18.116 -41.510 1.00 0.00 C ATOM 193 C GLY A 14 -7.949 17.119 -42.599 1.00 0.00 C ATOM 194 O GLY A 14 -8.802 16.455 -43.186 1.00 0.00 O ATOM 0 H GLY A 14 -8.302 16.482 -40.199 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.364 18.477 -41.699 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.694 18.983 -41.543 1.00 0.00 H new ATOM 198 N GLU A 15 -6.648 17.045 -42.836 1.00 0.00 N ATOM 199 CA GLU A 15 -6.121 16.142 -43.844 1.00 0.00 C ATOM 200 C GLU A 15 -5.381 14.978 -43.180 1.00 0.00 C ATOM 201 O GLU A 15 -4.215 14.727 -43.479 1.00 0.00 O ATOM 202 CB GLU A 15 -5.208 16.883 -44.823 1.00 0.00 C ATOM 203 CG GLU A 15 -4.126 17.667 -44.077 1.00 0.00 C ATOM 204 CD GLU A 15 -3.060 18.185 -45.044 1.00 0.00 C ATOM 205 OE1 GLU A 15 -3.340 19.210 -45.702 1.00 0.00 O ATOM 206 OE2 GLU A 15 -1.987 17.545 -45.102 1.00 0.00 O ATOM 0 H GLU A 15 -5.943 17.596 -42.347 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.958 15.739 -44.414 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.742 16.169 -45.502 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.800 17.564 -45.434 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.579 18.505 -43.547 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.661 17.028 -43.326 1.00 0.00 H new ATOM 213 N ARG A 16 -6.091 14.300 -42.290 1.00 0.00 N ATOM 214 CA ARG A 16 -5.517 13.168 -41.581 1.00 0.00 C ATOM 215 C ARG A 16 -6.172 11.865 -42.041 1.00 0.00 C ATOM 216 O ARG A 16 -7.389 11.804 -42.212 1.00 0.00 O ATOM 217 CB ARG A 16 -5.698 13.317 -40.069 1.00 0.00 C ATOM 218 CG ARG A 16 -4.488 14.006 -39.436 1.00 0.00 C ATOM 219 CD ARG A 16 -4.646 14.105 -37.917 1.00 0.00 C ATOM 220 NE ARG A 16 -3.346 14.440 -37.294 1.00 0.00 N ATOM 221 CZ ARG A 16 -3.205 14.865 -36.032 1.00 0.00 C ATOM 222 NH1 ARG A 16 -4.283 15.009 -35.249 1.00 0.00 N ATOM 223 NH2 ARG A 16 -1.986 15.145 -35.551 1.00 0.00 N ATOM 0 H ARG A 16 -7.058 14.512 -42.044 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.451 13.141 -41.807 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.599 13.895 -39.862 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.839 12.335 -39.618 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.582 13.450 -39.675 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.371 15.004 -39.859 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.385 14.867 -37.669 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.017 13.160 -37.519 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.504 14.341 -37.862 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.211 14.795 -35.614 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.176 15.333 -34.288 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.165 15.034 -36.146 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.879 15.469 -34.590 1.00 0.00 H new ATOM 237 N ARG A 17 -5.337 10.854 -42.228 1.00 0.00 N ATOM 238 CA ARG A 17 -5.820 9.555 -42.666 1.00 0.00 C ATOM 239 C ARG A 17 -5.138 8.440 -41.870 1.00 0.00 C ATOM 240 O ARG A 17 -3.925 8.259 -41.962 1.00 0.00 O ATOM 241 CB ARG A 17 -5.556 9.343 -44.158 1.00 0.00 C ATOM 242 CG ARG A 17 -6.712 8.588 -44.818 1.00 0.00 C ATOM 243 CD ARG A 17 -6.771 8.879 -46.319 1.00 0.00 C ATOM 244 NE ARG A 17 -6.656 7.618 -47.084 1.00 0.00 N ATOM 245 CZ ARG A 17 -5.493 7.021 -47.377 1.00 0.00 C ATOM 246 NH1 ARG A 17 -4.338 7.567 -46.971 1.00 0.00 N ATOM 247 NH2 ARG A 17 -5.484 5.877 -48.076 1.00 0.00 N ATOM 0 H ARG A 17 -4.329 10.908 -42.084 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.896 9.525 -42.492 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.420 10.307 -44.648 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.629 8.785 -44.291 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.591 7.517 -44.656 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.653 8.877 -44.351 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.708 9.379 -46.564 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.965 9.558 -46.598 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.516 7.176 -47.409 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.344 8.437 -46.439 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.453 7.112 -47.194 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.363 5.461 -48.385 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.598 5.423 -48.299 1.00 0.00 H new ATOM 261 N ARG A 18 -5.949 7.720 -41.108 1.00 0.00 N ATOM 262 CA ARG A 18 -5.439 6.628 -40.297 1.00 0.00 C ATOM 263 C ARG A 18 -4.906 5.506 -41.191 1.00 0.00 C ATOM 264 O ARG A 18 -5.306 5.388 -42.349 1.00 0.00 O ATOM 265 CB ARG A 18 -6.529 6.066 -39.382 1.00 0.00 C ATOM 266 CG ARG A 18 -6.519 6.770 -38.022 1.00 0.00 C ATOM 267 CD ARG A 18 -6.601 8.288 -38.191 1.00 0.00 C ATOM 268 NE ARG A 18 -6.231 8.958 -36.924 1.00 0.00 N ATOM 269 CZ ARG A 18 -4.971 9.096 -36.488 1.00 0.00 C ATOM 270 NH1 ARG A 18 -3.954 8.611 -37.213 1.00 0.00 N ATOM 271 NH2 ARG A 18 -4.728 9.719 -35.327 1.00 0.00 N ATOM 0 H ARG A 18 -6.955 7.872 -41.035 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.630 7.022 -39.681 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.504 6.190 -39.853 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.376 4.996 -39.243 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.359 6.421 -37.422 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.610 6.509 -37.480 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.934 8.610 -38.991 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.611 8.576 -38.483 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.981 9.338 -36.347 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.138 8.137 -38.097 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.995 8.716 -36.881 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.502 10.088 -34.775 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.769 9.824 -34.995 1.00 0.00 H new ATOM 285 N SER A 19 -4.012 4.713 -40.622 1.00 0.00 N ATOM 286 CA SER A 19 -3.419 3.605 -41.353 1.00 0.00 C ATOM 287 C SER A 19 -4.484 2.916 -42.210 1.00 0.00 C ATOM 288 O SER A 19 -5.225 2.067 -41.720 1.00 0.00 O ATOM 289 CB SER A 19 -2.772 2.599 -40.400 1.00 0.00 C ATOM 290 OG SER A 19 -1.634 3.145 -39.738 1.00 0.00 O ATOM 0 H SER A 19 -3.683 4.815 -39.662 1.00 0.00 H new ATOM 0 HA SER A 19 -2.638 4.002 -42.002 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.504 2.280 -39.658 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.475 1.711 -40.958 1.00 0.00 H new ATOM 0 HG SER A 19 -1.251 2.472 -39.137 1.00 0.00 H new ATOM 296 N GLN A 20 -4.525 3.308 -43.475 1.00 0.00 N ATOM 297 CA GLN A 20 -5.485 2.739 -44.404 1.00 0.00 C ATOM 298 C GLN A 20 -6.794 2.412 -43.681 1.00 0.00 C ATOM 299 O GLN A 20 -7.292 1.291 -43.768 1.00 0.00 O ATOM 300 CB GLN A 20 -4.914 1.497 -45.092 1.00 0.00 C ATOM 301 CG GLN A 20 -4.646 0.384 -44.077 1.00 0.00 C ATOM 302 CD GLN A 20 -3.198 0.429 -43.583 1.00 0.00 C ATOM 303 OE1 GLN A 20 -2.623 1.481 -43.363 1.00 0.00 O ATOM 304 NE2 GLN A 20 -2.644 -0.770 -43.424 1.00 0.00 N ATOM 0 H GLN A 20 -3.908 4.013 -43.878 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.694 3.478 -45.177 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.613 1.143 -45.850 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.989 1.755 -45.607 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.326 0.487 -43.231 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.849 -0.585 -44.533 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.183 -1.612 -43.627 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.680 -0.847 -43.099 1.00 0.00 H new ATOM 313 N LEU A 21 -7.313 3.413 -42.984 1.00 0.00 N ATOM 314 CA LEU A 21 -8.554 3.246 -42.247 1.00 0.00 C ATOM 315 C LEU A 21 -9.737 3.485 -43.187 1.00 0.00 C ATOM 316 O LEU A 21 -10.190 4.619 -43.344 1.00 0.00 O ATOM 317 CB LEU A 21 -8.564 4.141 -41.005 1.00 0.00 C ATOM 318 CG LEU A 21 -9.184 3.532 -39.746 1.00 0.00 C ATOM 319 CD1 LEU A 21 -9.384 4.595 -38.664 1.00 0.00 C ATOM 320 CD2 LEU A 21 -10.485 2.797 -40.075 1.00 0.00 C ATOM 0 H LEU A 21 -6.897 4.342 -42.914 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.643 2.225 -41.877 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.537 4.427 -40.779 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.104 5.057 -41.246 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.489 2.793 -39.347 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.826 4.136 -37.780 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.421 5.033 -38.402 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.048 5.375 -39.038 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.905 2.374 -39.162 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.198 3.497 -40.512 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.281 1.996 -40.786 1.00 0.00 H new ATOM 332 N ASP A 22 -10.204 2.400 -43.787 1.00 0.00 N ATOM 333 CA ASP A 22 -11.326 2.479 -44.708 1.00 0.00 C ATOM 334 C ASP A 22 -12.607 2.755 -43.919 1.00 0.00 C ATOM 335 O ASP A 22 -12.686 2.454 -42.729 1.00 0.00 O ATOM 336 CB ASP A 22 -11.510 1.162 -45.465 1.00 0.00 C ATOM 337 CG ASP A 22 -12.133 1.297 -46.855 1.00 0.00 C ATOM 338 OD1 ASP A 22 -12.119 2.434 -47.375 1.00 0.00 O ATOM 339 OD2 ASP A 22 -12.609 0.261 -47.367 1.00 0.00 O ATOM 0 H ASP A 22 -9.826 1.462 -43.654 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.124 3.279 -45.421 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.538 0.679 -45.564 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.135 0.500 -44.866 1.00 0.00 H new ATOM 344 N ARG A 23 -13.581 3.324 -44.616 1.00 0.00 N ATOM 345 CA ARG A 23 -14.856 3.644 -43.996 1.00 0.00 C ATOM 346 C ARG A 23 -15.602 2.361 -43.625 1.00 0.00 C ATOM 347 O ARG A 23 -16.642 2.411 -42.970 1.00 0.00 O ATOM 348 CB ARG A 23 -15.728 4.481 -44.933 1.00 0.00 C ATOM 349 CG ARG A 23 -15.218 5.921 -45.018 1.00 0.00 C ATOM 350 CD ARG A 23 -15.246 6.596 -43.646 1.00 0.00 C ATOM 351 NE ARG A 23 -16.090 7.810 -43.696 1.00 0.00 N ATOM 352 CZ ARG A 23 -16.418 8.543 -42.624 1.00 0.00 C ATOM 353 NH1 ARG A 23 -15.975 8.189 -41.409 1.00 0.00 N ATOM 354 NH2 ARG A 23 -17.189 9.630 -42.764 1.00 0.00 N ATOM 0 H ARG A 23 -13.513 3.571 -45.603 1.00 0.00 H new ATOM 0 HA ARG A 23 -14.652 4.222 -43.095 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -15.733 4.034 -45.927 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -16.758 4.477 -44.577 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.201 5.927 -45.409 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.832 6.487 -45.718 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.634 5.904 -42.899 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -14.233 6.859 -43.341 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.445 8.108 -44.605 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.388 7.362 -41.301 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.225 8.747 -40.593 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -17.527 9.900 -43.688 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -17.438 10.187 -41.947 1.00 0.00 H new ATOM 368 N ASP A 24 -15.042 1.242 -44.060 1.00 0.00 N ATOM 369 CA ASP A 24 -15.642 -0.052 -43.781 1.00 0.00 C ATOM 370 C ASP A 24 -14.579 -0.988 -43.205 1.00 0.00 C ATOM 371 O ASP A 24 -14.693 -2.208 -43.319 1.00 0.00 O ATOM 372 CB ASP A 24 -16.192 -0.690 -45.058 1.00 0.00 C ATOM 373 CG ASP A 24 -16.975 0.257 -45.969 1.00 0.00 C ATOM 374 OD1 ASP A 24 -16.310 0.983 -46.739 1.00 0.00 O ATOM 375 OD2 ASP A 24 -18.222 0.233 -45.875 1.00 0.00 O ATOM 0 H ASP A 24 -14.180 1.204 -44.603 1.00 0.00 H new ATOM 0 HA ASP A 24 -16.457 0.099 -43.073 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -15.360 -1.109 -45.624 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -16.840 -1.521 -44.781 1.00 0.00 H new ATOM 380 N GLN A 25 -13.569 -0.382 -42.597 1.00 0.00 N ATOM 381 CA GLN A 25 -12.486 -1.148 -42.002 1.00 0.00 C ATOM 382 C GLN A 25 -12.526 -1.027 -40.477 1.00 0.00 C ATOM 383 O GLN A 25 -13.432 -0.405 -39.924 1.00 0.00 O ATOM 384 CB GLN A 25 -11.131 -0.699 -42.552 1.00 0.00 C ATOM 385 CG GLN A 25 -10.698 -1.578 -43.728 1.00 0.00 C ATOM 386 CD GLN A 25 -9.207 -1.907 -43.646 1.00 0.00 C ATOM 387 OE1 GLN A 25 -8.572 -1.779 -42.613 1.00 0.00 O ATOM 388 NE2 GLN A 25 -8.685 -2.337 -44.792 1.00 0.00 N ATOM 0 H GLN A 25 -13.478 0.630 -42.504 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.620 -2.197 -42.268 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.191 0.341 -42.873 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.381 -0.746 -41.763 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.278 -2.501 -43.730 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.910 -1.066 -44.667 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -9.274 -2.421 -45.621 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.696 -2.583 -44.842 1.00 0.00 H new ATOM 397 N CYS A 26 -11.533 -1.630 -39.841 1.00 0.00 N ATOM 398 CA CYS A 26 -11.443 -1.597 -38.392 1.00 0.00 C ATOM 399 C CYS A 26 -10.235 -0.743 -38.004 1.00 0.00 C ATOM 400 O CYS A 26 -9.158 -0.886 -38.582 1.00 0.00 O ATOM 401 CB CYS A 26 -11.360 -3.005 -37.798 1.00 0.00 C ATOM 402 SG CYS A 26 -11.357 -2.915 -35.970 1.00 0.00 S ATOM 0 H CYS A 26 -10.783 -2.145 -40.303 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.349 -1.152 -37.980 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.205 -3.603 -38.139 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.455 -3.503 -38.147 1.00 0.00 H new ATOM 407 N ALA A 27 -10.453 0.126 -37.029 1.00 0.00 N ATOM 408 CA ALA A 27 -9.395 1.005 -36.558 1.00 0.00 C ATOM 409 C ALA A 27 -8.840 0.464 -35.239 1.00 0.00 C ATOM 410 O ALA A 27 -8.369 1.229 -34.399 1.00 0.00 O ATOM 411 CB ALA A 27 -9.936 2.429 -36.422 1.00 0.00 C ATOM 0 H ALA A 27 -11.347 0.241 -36.551 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.574 1.036 -37.274 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.142 3.088 -36.069 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.292 2.777 -37.392 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.760 2.439 -35.708 1.00 0.00 H new ATOM 417 N TYR A 28 -8.913 -0.852 -35.098 1.00 0.00 N ATOM 418 CA TYR A 28 -8.423 -1.503 -33.895 1.00 0.00 C ATOM 419 C TYR A 28 -7.425 -2.612 -34.240 1.00 0.00 C ATOM 420 O TYR A 28 -6.252 -2.529 -33.878 1.00 0.00 O ATOM 421 CB TYR A 28 -9.648 -2.129 -33.225 1.00 0.00 C ATOM 422 CG TYR A 28 -9.415 -2.553 -31.774 1.00 0.00 C ATOM 423 CD1 TYR A 28 -9.561 -1.635 -30.754 1.00 0.00 C ATOM 424 CD2 TYR A 28 -9.060 -3.856 -31.485 1.00 0.00 C ATOM 425 CE1 TYR A 28 -9.341 -2.035 -29.389 1.00 0.00 C ATOM 426 CE2 TYR A 28 -8.841 -4.255 -30.119 1.00 0.00 C ATOM 427 CZ TYR A 28 -8.992 -3.326 -29.138 1.00 0.00 C ATOM 428 OH TYR A 28 -8.785 -3.704 -27.848 1.00 0.00 O ATOM 0 H TYR A 28 -9.304 -1.484 -35.797 1.00 0.00 H new ATOM 0 HA TYR A 28 -7.914 -0.786 -33.251 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -10.471 -1.415 -33.256 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -9.959 -3.000 -33.802 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -9.840 -0.617 -30.980 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -8.947 -4.575 -32.283 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.451 -1.326 -28.582 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.563 -5.271 -29.879 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.543 -4.653 -27.820 1.00 0.00 H new ATOM 438 N CYS A 29 -7.927 -3.621 -34.935 1.00 0.00 N ATOM 439 CA CYS A 29 -7.094 -4.744 -35.332 1.00 0.00 C ATOM 440 C CYS A 29 -6.474 -4.423 -36.694 1.00 0.00 C ATOM 441 O CYS A 29 -5.390 -4.908 -37.015 1.00 0.00 O ATOM 442 CB CYS A 29 -7.885 -6.053 -35.360 1.00 0.00 C ATOM 443 SG CYS A 29 -9.283 -5.915 -36.533 1.00 0.00 S ATOM 0 H CYS A 29 -8.900 -3.685 -35.234 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.302 -4.890 -34.598 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -7.233 -6.875 -35.654 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -8.258 -6.283 -34.362 1.00 0.00 H new ATOM 448 N LYS A 30 -7.187 -3.607 -37.456 1.00 0.00 N ATOM 449 CA LYS A 30 -6.719 -3.216 -38.775 1.00 0.00 C ATOM 450 C LYS A 30 -7.316 -4.158 -39.822 1.00 0.00 C ATOM 451 O LYS A 30 -6.728 -4.364 -40.884 1.00 0.00 O ATOM 452 CB LYS A 30 -5.191 -3.151 -38.805 1.00 0.00 C ATOM 453 CG LYS A 30 -4.706 -2.054 -39.754 1.00 0.00 C ATOM 454 CD LYS A 30 -3.961 -0.958 -38.989 1.00 0.00 C ATOM 455 CE LYS A 30 -4.909 -0.195 -38.062 1.00 0.00 C ATOM 456 NZ LYS A 30 -4.143 0.625 -37.097 1.00 0.00 N ATOM 0 H LYS A 30 -8.085 -3.206 -37.186 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.061 -2.210 -39.018 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.812 -2.961 -37.801 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.789 -4.114 -39.121 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.050 -2.486 -40.510 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.557 -1.621 -40.280 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.154 -1.401 -38.405 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.501 -0.266 -39.694 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.566 0.445 -38.651 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.546 -0.898 -37.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.622 1.538 -36.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.084 0.125 -36.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.184 0.789 -37.465 1.00 0.00 H new ATOM 470 N GLU A 31 -8.475 -4.704 -39.489 1.00 0.00 N ATOM 471 CA GLU A 31 -9.158 -5.620 -40.388 1.00 0.00 C ATOM 472 C GLU A 31 -10.153 -4.858 -41.266 1.00 0.00 C ATOM 473 O GLU A 31 -10.316 -3.647 -41.120 1.00 0.00 O ATOM 474 CB GLU A 31 -9.856 -6.735 -39.608 1.00 0.00 C ATOM 475 CG GLU A 31 -10.071 -7.967 -40.489 1.00 0.00 C ATOM 476 CD GLU A 31 -11.557 -8.168 -40.798 1.00 0.00 C ATOM 477 OE1 GLU A 31 -12.264 -7.140 -40.873 1.00 0.00 O ATOM 478 OE2 GLU A 31 -11.951 -9.343 -40.954 1.00 0.00 O ATOM 0 H GLU A 31 -8.960 -4.530 -38.609 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.415 -6.086 -41.035 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.257 -7.005 -38.738 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.816 -6.378 -39.236 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.514 -7.855 -41.419 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.678 -8.851 -39.987 1.00 0.00 H new ATOM 485 N LYS A 32 -10.794 -5.599 -42.159 1.00 0.00 N ATOM 486 CA LYS A 32 -11.768 -5.008 -43.059 1.00 0.00 C ATOM 487 C LYS A 32 -13.030 -5.874 -43.078 1.00 0.00 C ATOM 488 O LYS A 32 -12.947 -7.094 -43.220 1.00 0.00 O ATOM 489 CB LYS A 32 -11.154 -4.787 -44.443 1.00 0.00 C ATOM 490 CG LYS A 32 -10.720 -6.114 -45.069 1.00 0.00 C ATOM 491 CD LYS A 32 -9.398 -6.597 -44.468 1.00 0.00 C ATOM 492 CE LYS A 32 -8.469 -7.144 -45.553 1.00 0.00 C ATOM 493 NZ LYS A 32 -7.061 -7.103 -45.098 1.00 0.00 N ATOM 0 H LYS A 32 -10.657 -6.603 -42.278 1.00 0.00 H new ATOM 0 HA LYS A 32 -12.063 -4.020 -42.705 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.878 -4.295 -45.092 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.295 -4.121 -44.361 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.493 -6.866 -44.909 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.611 -5.993 -46.147 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.909 -5.774 -43.947 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.593 -7.372 -43.727 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.749 -8.169 -45.797 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.580 -6.557 -46.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.443 -7.478 -45.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.793 -6.121 -44.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.956 -7.682 -44.240 1.00 0.00 H new ATOM 507 N GLY A 33 -14.167 -5.212 -42.932 1.00 0.00 N ATOM 508 CA GLY A 33 -15.444 -5.905 -42.931 1.00 0.00 C ATOM 509 C GLY A 33 -16.239 -5.587 -41.663 1.00 0.00 C ATOM 510 O GLY A 33 -17.462 -5.710 -41.646 1.00 0.00 O ATOM 0 H GLY A 33 -14.231 -4.201 -42.813 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.021 -5.614 -43.809 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.279 -6.980 -43.001 1.00 0.00 H new ATOM 514 N HIS A 34 -15.511 -5.183 -40.632 1.00 0.00 N ATOM 515 CA HIS A 34 -16.134 -4.847 -39.363 1.00 0.00 C ATOM 516 C HIS A 34 -15.536 -3.543 -38.829 1.00 0.00 C ATOM 517 O HIS A 34 -14.443 -3.147 -39.230 1.00 0.00 O ATOM 518 CB HIS A 34 -16.009 -6.006 -38.372 1.00 0.00 C ATOM 519 CG HIS A 34 -14.621 -6.183 -37.805 1.00 0.00 C ATOM 520 ND1 HIS A 34 -13.736 -7.138 -38.276 1.00 0.00 N ATOM 521 CD2 HIS A 34 -13.975 -5.518 -36.805 1.00 0.00 C ATOM 522 CE1 HIS A 34 -12.611 -7.044 -37.581 1.00 0.00 C ATOM 523 NE2 HIS A 34 -12.761 -6.039 -36.671 1.00 0.00 N ATOM 0 H HIS A 34 -14.496 -5.081 -40.650 1.00 0.00 H new ATOM 0 HA HIS A 34 -17.202 -4.685 -39.509 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -16.708 -5.845 -37.551 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -16.308 -6.929 -38.869 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -13.919 -7.801 -39.029 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -14.382 -4.706 -36.221 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.731 -7.656 -37.712 1.00 0.00 H new ATOM 531 N TRP A 35 -16.280 -2.913 -37.932 1.00 0.00 N ATOM 532 CA TRP A 35 -15.838 -1.663 -37.338 1.00 0.00 C ATOM 533 C TRP A 35 -15.200 -1.981 -35.984 1.00 0.00 C ATOM 534 O TRP A 35 -15.447 -3.041 -35.411 1.00 0.00 O ATOM 535 CB TRP A 35 -16.994 -0.666 -37.233 1.00 0.00 C ATOM 536 CG TRP A 35 -17.114 0.276 -38.433 1.00 0.00 C ATOM 537 CD1 TRP A 35 -17.186 -0.046 -39.731 1.00 0.00 C ATOM 538 CD2 TRP A 35 -17.173 1.717 -38.391 1.00 0.00 C ATOM 539 NE1 TRP A 35 -17.286 1.077 -40.526 1.00 0.00 N ATOM 540 CE2 TRP A 35 -17.278 2.184 -39.686 1.00 0.00 C ATOM 541 CE3 TRP A 35 -17.139 2.599 -37.295 1.00 0.00 C ATOM 542 CZ2 TRP A 35 -17.358 3.545 -40.006 1.00 0.00 C ATOM 543 CZ3 TRP A 35 -17.219 3.954 -37.633 1.00 0.00 C ATOM 544 CH2 TRP A 35 -17.325 4.440 -38.931 1.00 0.00 C ATOM 0 H TRP A 35 -17.186 -3.245 -37.602 1.00 0.00 H new ATOM 0 HA TRP A 35 -15.093 -1.180 -37.970 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -17.927 -1.218 -37.123 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -16.866 -0.071 -36.329 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -17.168 -1.058 -40.108 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -17.353 1.092 -41.544 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -17.058 2.257 -36.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -17.441 3.885 -41.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -17.197 4.674 -36.828 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -17.382 5.504 -39.109 1.00 0.00 H new ATOM 555 N ALA A 36 -14.390 -1.045 -35.513 1.00 0.00 N ATOM 556 CA ALA A 36 -13.714 -1.213 -34.238 1.00 0.00 C ATOM 557 C ALA A 36 -14.757 -1.393 -33.132 1.00 0.00 C ATOM 558 O ALA A 36 -14.534 -2.137 -32.178 1.00 0.00 O ATOM 559 CB ALA A 36 -12.797 -0.015 -33.984 1.00 0.00 C ATOM 0 H ALA A 36 -14.186 -0.167 -35.991 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.089 -2.106 -34.250 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.290 -0.141 -33.027 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -12.057 0.052 -34.781 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -13.390 0.899 -33.962 1.00 0.00 H new ATOM 565 N LYS A 37 -15.874 -0.700 -33.298 1.00 0.00 N ATOM 566 CA LYS A 37 -16.951 -0.774 -32.326 1.00 0.00 C ATOM 567 C LYS A 37 -17.544 -2.184 -32.334 1.00 0.00 C ATOM 568 O LYS A 37 -18.343 -2.531 -31.467 1.00 0.00 O ATOM 569 CB LYS A 37 -17.982 0.327 -32.584 1.00 0.00 C ATOM 570 CG LYS A 37 -17.574 1.632 -31.896 1.00 0.00 C ATOM 571 CD LYS A 37 -16.380 2.275 -32.602 1.00 0.00 C ATOM 572 CE LYS A 37 -16.117 3.683 -32.064 1.00 0.00 C ATOM 573 NZ LYS A 37 -15.036 3.658 -31.055 1.00 0.00 N ATOM 0 H LYS A 37 -16.056 -0.085 -34.091 1.00 0.00 H new ATOM 0 HA LYS A 37 -16.569 -0.594 -31.321 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.082 0.493 -33.657 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.958 0.009 -32.219 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -18.416 2.325 -31.894 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -17.321 1.434 -30.854 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.494 1.657 -32.461 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.569 2.321 -33.674 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.842 4.347 -32.884 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.028 4.085 -31.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.421 3.929 -30.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.637 2.699 -30.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.289 4.328 -31.329 1.00 0.00 H new ATOM 587 N ASP A 38 -17.129 -2.960 -33.326 1.00 0.00 N ATOM 588 CA ASP A 38 -17.608 -4.325 -33.458 1.00 0.00 C ATOM 589 C ASP A 38 -16.422 -5.255 -33.724 1.00 0.00 C ATOM 590 O ASP A 38 -16.581 -6.311 -34.335 1.00 0.00 O ATOM 591 CB ASP A 38 -18.583 -4.455 -34.631 1.00 0.00 C ATOM 592 CG ASP A 38 -19.833 -5.289 -34.343 1.00 0.00 C ATOM 593 OD1 ASP A 38 -19.716 -6.532 -34.417 1.00 0.00 O ATOM 594 OD2 ASP A 38 -20.877 -4.666 -34.056 1.00 0.00 O ATOM 0 H ASP A 38 -16.467 -2.669 -34.045 1.00 0.00 H new ATOM 0 HA ASP A 38 -18.118 -4.594 -32.533 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -18.894 -3.456 -34.938 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -18.055 -4.898 -35.475 1.00 0.00 H new ATOM 599 N CYS A 39 -15.260 -4.828 -33.253 1.00 0.00 N ATOM 600 CA CYS A 39 -14.047 -5.609 -33.433 1.00 0.00 C ATOM 601 C CYS A 39 -14.214 -6.933 -32.687 1.00 0.00 C ATOM 602 O CYS A 39 -14.582 -6.947 -31.513 1.00 0.00 O ATOM 603 CB CYS A 39 -12.808 -4.843 -32.966 1.00 0.00 C ATOM 604 SG CYS A 39 -11.295 -5.779 -33.397 1.00 0.00 S ATOM 0 H CYS A 39 -15.132 -3.952 -32.747 1.00 0.00 H new ATOM 0 HA CYS A 39 -13.893 -5.808 -34.494 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.782 -3.858 -33.432 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -12.853 -4.684 -31.889 1.00 0.00 H new ATOM 609 N PRO A 40 -13.929 -8.044 -33.418 1.00 0.00 N ATOM 610 CA PRO A 40 -14.044 -9.372 -32.838 1.00 0.00 C ATOM 611 C PRO A 40 -12.880 -9.657 -31.886 1.00 0.00 C ATOM 612 O PRO A 40 -12.796 -10.740 -31.309 1.00 0.00 O ATOM 613 CB PRO A 40 -14.085 -10.318 -34.026 1.00 0.00 C ATOM 614 CG PRO A 40 -13.526 -9.535 -35.203 1.00 0.00 C ATOM 615 CD PRO A 40 -13.492 -8.066 -34.811 1.00 0.00 C ATOM 0 HA PRO A 40 -14.937 -9.487 -32.224 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -13.491 -11.212 -33.834 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -15.104 -10.649 -34.226 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -12.525 -9.886 -35.455 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -14.146 -9.680 -36.087 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -12.490 -7.651 -34.918 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -14.153 -7.472 -35.443 1.00 0.00 H new ATOM 623 N LYS A 41 -12.011 -8.666 -31.751 1.00 0.00 N ATOM 624 CA LYS A 41 -10.856 -8.796 -30.880 1.00 0.00 C ATOM 625 C LYS A 41 -11.030 -7.878 -29.669 1.00 0.00 C ATOM 626 O LYS A 41 -10.080 -7.642 -28.922 1.00 0.00 O ATOM 627 CB LYS A 41 -9.565 -8.546 -31.661 1.00 0.00 C ATOM 628 CG LYS A 41 -8.399 -9.333 -31.060 1.00 0.00 C ATOM 629 CD LYS A 41 -7.076 -8.589 -31.253 1.00 0.00 C ATOM 630 CE LYS A 41 -6.142 -8.812 -30.062 1.00 0.00 C ATOM 631 NZ LYS A 41 -5.649 -10.207 -30.043 1.00 0.00 N ATOM 0 H LYS A 41 -12.084 -7.769 -32.231 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.779 -9.815 -30.500 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.704 -8.835 -32.703 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.332 -7.481 -31.654 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.576 -9.497 -29.997 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.339 -10.315 -31.528 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.592 -8.931 -32.168 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.269 -7.523 -31.374 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.299 -8.123 -30.120 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.669 -8.594 -29.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.017 -10.341 -29.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.455 -10.859 -29.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.128 -10.403 -30.921 1.00 0.00 H new ATOM 645 N LYS A 42 -12.248 -7.382 -29.512 1.00 0.00 N ATOM 646 CA LYS A 42 -12.558 -6.494 -28.405 1.00 0.00 C ATOM 647 C LYS A 42 -13.108 -7.315 -27.236 1.00 0.00 C ATOM 648 O LYS A 42 -13.690 -8.380 -27.440 1.00 0.00 O ATOM 649 CB LYS A 42 -13.494 -5.374 -28.862 1.00 0.00 C ATOM 650 CG LYS A 42 -12.846 -4.002 -28.661 1.00 0.00 C ATOM 651 CD LYS A 42 -13.898 -2.942 -28.328 1.00 0.00 C ATOM 652 CE LYS A 42 -14.369 -2.220 -29.592 1.00 0.00 C ATOM 653 NZ LYS A 42 -15.058 -0.957 -29.243 1.00 0.00 N ATOM 0 H LYS A 42 -13.033 -7.578 -30.134 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.654 -5.999 -28.051 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.745 -5.511 -29.914 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.428 -5.425 -28.302 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.112 -4.057 -27.857 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.308 -3.714 -29.564 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.749 -3.412 -27.835 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.482 -2.219 -27.626 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.516 -2.009 -30.237 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.043 -2.865 -30.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.853 -0.239 -29.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.084 -1.122 -29.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.721 -0.622 -28.318 1.00 0.00 H new ATOM 667 N PRO A 43 -12.897 -6.776 -26.006 1.00 0.00 N ATOM 668 CA PRO A 43 -13.364 -7.447 -24.805 1.00 0.00 C ATOM 669 C PRO A 43 -14.879 -7.300 -24.649 1.00 0.00 C ATOM 670 O PRO A 43 -15.554 -6.803 -25.548 1.00 0.00 O ATOM 671 CB PRO A 43 -12.585 -6.807 -23.668 1.00 0.00 C ATOM 672 CG PRO A 43 -12.055 -5.491 -24.214 1.00 0.00 C ATOM 673 CD PRO A 43 -12.211 -5.518 -25.726 1.00 0.00 C ATOM 0 HA PRO A 43 -13.192 -8.523 -24.831 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.225 -6.641 -22.801 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.769 -7.452 -23.343 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.605 -4.652 -23.788 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.008 -5.358 -23.940 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.789 -4.664 -26.080 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.243 -5.476 -26.225 1.00 0.00 H new ATOM 681 N ARG A 44 -15.369 -7.740 -23.498 1.00 0.00 N ATOM 682 CA ARG A 44 -16.791 -7.662 -23.213 1.00 0.00 C ATOM 683 C ARG A 44 -17.070 -8.119 -21.779 1.00 0.00 C ATOM 684 O ARG A 44 -17.855 -9.039 -21.558 1.00 0.00 O ATOM 685 CB ARG A 44 -17.596 -8.531 -24.182 1.00 0.00 C ATOM 686 CG ARG A 44 -17.168 -9.996 -24.090 1.00 0.00 C ATOM 687 CD ARG A 44 -17.184 -10.659 -25.469 1.00 0.00 C ATOM 688 NE ARG A 44 -18.576 -10.969 -25.866 1.00 0.00 N ATOM 689 CZ ARG A 44 -18.944 -11.317 -27.106 1.00 0.00 C ATOM 690 NH1 ARG A 44 -18.026 -11.404 -28.077 1.00 0.00 N ATOM 691 NH2 ARG A 44 -20.230 -11.580 -27.374 1.00 0.00 N ATOM 0 H ARG A 44 -14.806 -8.151 -22.753 1.00 0.00 H new ATOM 0 HA ARG A 44 -17.097 -6.623 -23.334 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -18.659 -8.444 -23.957 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -17.456 -8.171 -25.201 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -16.167 -10.060 -23.663 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -17.837 -10.532 -23.417 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -16.726 -9.998 -26.205 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -16.591 -11.573 -25.449 1.00 0.00 H new ATOM 0 HE ARG A 44 -19.301 -10.914 -25.150 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -17.047 -11.205 -27.872 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -18.306 -11.669 -29.021 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -20.929 -11.515 -26.634 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -20.510 -11.845 -28.318 1.00 0.00 H new ATOM 705 N GLY A 45 -16.410 -7.455 -20.841 1.00 0.00 N ATOM 706 CA GLY A 45 -16.577 -7.780 -19.435 1.00 0.00 C ATOM 707 C GLY A 45 -15.743 -9.004 -19.053 1.00 0.00 C ATOM 708 O GLY A 45 -15.070 -9.589 -19.900 1.00 0.00 O ATOM 0 H GLY A 45 -15.758 -6.693 -21.028 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -16.280 -6.928 -18.823 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.629 -7.972 -19.225 1.00 0.00 H new ATOM 712 N PRO A 46 -15.817 -9.364 -17.744 1.00 0.00 N ATOM 713 CA PRO A 46 -16.638 -8.616 -16.808 1.00 0.00 C ATOM 714 C PRO A 46 -15.977 -7.286 -16.440 1.00 0.00 C ATOM 715 O PRO A 46 -14.917 -6.950 -16.965 1.00 0.00 O ATOM 716 CB PRO A 46 -16.816 -9.542 -15.614 1.00 0.00 C ATOM 717 CG PRO A 46 -15.712 -10.580 -15.724 1.00 0.00 C ATOM 718 CD PRO A 46 -15.123 -10.489 -17.123 1.00 0.00 C ATOM 0 HA PRO A 46 -17.605 -8.337 -17.226 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -16.741 -8.990 -14.677 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -17.799 -10.014 -15.629 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -14.942 -10.400 -14.973 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.108 -11.579 -15.541 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -14.047 -10.321 -17.089 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.284 -11.411 -17.681 1.00 0.00 H new ATOM 726 N ARG A 47 -16.632 -6.566 -15.541 1.00 0.00 N ATOM 727 CA ARG A 47 -16.121 -5.280 -15.097 1.00 0.00 C ATOM 728 C ARG A 47 -15.760 -5.336 -13.612 1.00 0.00 C ATOM 729 O ARG A 47 -16.409 -6.037 -12.837 1.00 0.00 O ATOM 730 CB ARG A 47 -17.150 -4.171 -15.322 1.00 0.00 C ATOM 731 CG ARG A 47 -16.716 -3.243 -16.458 1.00 0.00 C ATOM 732 CD ARG A 47 -17.282 -3.715 -17.799 1.00 0.00 C ATOM 733 NE ARG A 47 -17.524 -2.554 -18.684 1.00 0.00 N ATOM 734 CZ ARG A 47 -18.603 -1.764 -18.607 1.00 0.00 C ATOM 735 NH1 ARG A 47 -19.545 -2.003 -17.685 1.00 0.00 N ATOM 736 NH2 ARG A 47 -18.739 -0.732 -19.451 1.00 0.00 N ATOM 0 H ARG A 47 -17.511 -6.848 -15.108 1.00 0.00 H new ATOM 0 HA ARG A 47 -15.229 -5.058 -15.683 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -18.119 -4.611 -15.557 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -17.276 -3.595 -14.405 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.056 -2.228 -16.253 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -15.628 -3.210 -16.510 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -16.585 -4.406 -18.274 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -18.212 -4.260 -17.639 1.00 0.00 H new ATOM 0 HE ARG A 47 -16.826 -2.342 -19.397 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -19.441 -2.787 -17.041 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -20.366 -1.401 -17.627 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -18.021 -0.548 -20.152 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -19.561 -0.130 -19.393 1.00 0.00 H new ATOM 750 N GLY A 48 -14.724 -4.589 -13.259 1.00 0.00 N ATOM 751 CA GLY A 48 -14.267 -4.546 -11.880 1.00 0.00 C ATOM 752 C GLY A 48 -12.798 -4.127 -11.801 1.00 0.00 C ATOM 753 O GLY A 48 -12.127 -4.007 -12.825 1.00 0.00 O ATOM 0 H GLY A 48 -14.188 -4.009 -13.904 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.879 -3.846 -11.312 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -14.394 -5.526 -11.420 1.00 0.00 H new ATOM 757 N PRO A 49 -12.329 -3.910 -10.542 1.00 0.00 N ATOM 758 CA PRO A 49 -10.951 -3.506 -10.317 1.00 0.00 C ATOM 759 C PRO A 49 -9.997 -4.687 -10.506 1.00 0.00 C ATOM 760 O PRO A 49 -10.342 -5.826 -10.194 1.00 0.00 O ATOM 761 CB PRO A 49 -10.931 -2.948 -8.904 1.00 0.00 C ATOM 762 CG PRO A 49 -12.183 -3.482 -8.226 1.00 0.00 C ATOM 763 CD PRO A 49 -13.095 -4.041 -9.306 1.00 0.00 C ATOM 0 HA PRO A 49 -10.610 -2.757 -11.032 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -10.034 -3.264 -8.372 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.928 -1.858 -8.915 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -11.925 -4.258 -7.505 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -12.687 -2.688 -7.674 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.352 -5.082 -9.108 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -14.032 -3.486 -9.360 1.00 0.00 H new ATOM 771 N ARG A 50 -8.815 -4.375 -11.016 1.00 0.00 N ATOM 772 CA ARG A 50 -7.807 -5.397 -11.250 1.00 0.00 C ATOM 773 C ARG A 50 -7.718 -6.340 -10.049 1.00 0.00 C ATOM 774 O ARG A 50 -7.136 -5.990 -9.024 1.00 0.00 O ATOM 775 CB ARG A 50 -6.434 -4.769 -11.502 1.00 0.00 C ATOM 776 CG ARG A 50 -6.384 -4.088 -12.871 1.00 0.00 C ATOM 777 CD ARG A 50 -5.804 -5.030 -13.929 1.00 0.00 C ATOM 778 NE ARG A 50 -4.783 -4.320 -14.731 1.00 0.00 N ATOM 779 CZ ARG A 50 -3.856 -4.934 -15.480 1.00 0.00 C ATOM 780 NH1 ARG A 50 -3.817 -6.272 -15.533 1.00 0.00 N ATOM 781 NH2 ARG A 50 -2.968 -4.208 -16.175 1.00 0.00 N ATOM 0 H ARG A 50 -8.532 -3.430 -11.274 1.00 0.00 H new ATOM 0 HA ARG A 50 -8.104 -5.959 -12.135 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.215 -4.040 -10.721 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.663 -5.538 -11.446 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -7.387 -3.779 -13.165 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -5.777 -3.185 -12.810 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.360 -5.901 -13.448 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.600 -5.395 -14.578 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.785 -3.300 -14.713 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.492 -6.823 -15.004 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.112 -6.739 -16.103 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.998 -3.189 -16.134 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.262 -4.675 -16.745 1.00 0.00 H new ATOM 795 N PRO A 51 -8.318 -7.548 -10.221 1.00 0.00 N ATOM 796 CA PRO A 51 -8.311 -8.544 -9.163 1.00 0.00 C ATOM 797 C PRO A 51 -6.937 -9.205 -9.042 1.00 0.00 C ATOM 798 O PRO A 51 -6.010 -8.857 -9.771 1.00 0.00 O ATOM 799 CB PRO A 51 -9.411 -9.523 -9.539 1.00 0.00 C ATOM 800 CG PRO A 51 -9.678 -9.303 -11.019 1.00 0.00 C ATOM 801 CD PRO A 51 -9.016 -7.995 -11.422 1.00 0.00 C ATOM 0 HA PRO A 51 -8.497 -8.115 -8.179 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.102 -10.550 -9.347 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.310 -9.345 -8.949 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.279 -10.130 -11.606 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.750 -9.264 -11.212 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.324 -8.141 -12.251 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.754 -7.262 -11.747 1.00 0.00 H new ATOM 809 N GLN A 52 -6.850 -10.147 -8.114 1.00 0.00 N ATOM 810 CA GLN A 52 -5.604 -10.860 -7.887 1.00 0.00 C ATOM 811 C GLN A 52 -4.494 -9.881 -7.499 1.00 0.00 C ATOM 812 O GLN A 52 -4.616 -8.678 -7.728 1.00 0.00 O ATOM 813 CB GLN A 52 -5.208 -11.678 -9.118 1.00 0.00 C ATOM 814 CG GLN A 52 -6.119 -12.896 -9.283 1.00 0.00 C ATOM 815 CD GLN A 52 -5.801 -13.648 -10.577 1.00 0.00 C ATOM 816 OE1 GLN A 52 -5.482 -13.067 -11.601 1.00 0.00 O ATOM 817 NE2 GLN A 52 -5.903 -14.970 -10.474 1.00 0.00 N ATOM 0 H GLN A 52 -7.621 -10.433 -7.511 1.00 0.00 H new ATOM 0 HA GLN A 52 -5.752 -11.556 -7.061 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.266 -11.053 -10.009 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.172 -12.004 -9.025 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.997 -13.564 -8.431 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.161 -12.577 -9.291 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.175 -15.393 -9.587 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.709 -15.561 -11.282 1.00 0.00 H new ATOM 826 N THR A 53 -3.438 -10.432 -6.920 1.00 0.00 N ATOM 827 CA THR A 53 -2.308 -9.621 -6.499 1.00 0.00 C ATOM 828 C THR A 53 -2.777 -8.481 -5.594 1.00 0.00 C ATOM 829 O THR A 53 -3.970 -8.190 -5.523 1.00 0.00 O ATOM 830 CB THR A 53 -1.577 -9.140 -7.754 1.00 0.00 C ATOM 831 OG1 THR A 53 -0.358 -8.594 -7.258 1.00 0.00 O ATOM 832 CG2 THR A 53 -2.276 -7.951 -8.418 1.00 0.00 C ATOM 0 H THR A 53 -3.341 -11.430 -6.732 1.00 0.00 H new ATOM 0 HA THR A 53 -1.607 -10.201 -5.900 1.00 0.00 H new ATOM 0 HB THR A 53 -1.500 -9.961 -8.467 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.179 -8.260 -8.006 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.717 -7.649 -9.304 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.287 -8.238 -8.707 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.323 -7.118 -7.716 1.00 0.00 H new ATOM 840 N SER A 54 -1.814 -7.865 -4.925 1.00 0.00 N ATOM 841 CA SER A 54 -2.114 -6.762 -4.027 1.00 0.00 C ATOM 842 C SER A 54 -2.294 -5.470 -4.827 1.00 0.00 C ATOM 843 O SER A 54 -1.860 -5.381 -5.974 1.00 0.00 O ATOM 844 CB SER A 54 -1.011 -6.589 -2.980 1.00 0.00 C ATOM 845 OG SER A 54 -1.472 -6.886 -1.664 1.00 0.00 O ATOM 0 H SER A 54 -0.825 -8.108 -4.986 1.00 0.00 H new ATOM 0 HA SER A 54 -3.042 -6.990 -3.503 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.172 -7.240 -3.226 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.639 -5.565 -3.011 1.00 0.00 H new ATOM 0 HG SER A 54 -0.738 -6.765 -1.025 1.00 0.00 H new ATOM 851 N LEU A 55 -2.937 -4.503 -4.189 1.00 0.00 N ATOM 852 CA LEU A 55 -3.181 -3.221 -4.827 1.00 0.00 C ATOM 853 C LEU A 55 -2.989 -2.101 -3.802 1.00 0.00 C ATOM 854 O LEU A 55 -3.116 -2.327 -2.600 1.00 0.00 O ATOM 855 CB LEU A 55 -4.556 -3.208 -5.499 1.00 0.00 C ATOM 856 CG LEU A 55 -5.757 -3.401 -4.572 1.00 0.00 C ATOM 857 CD1 LEU A 55 -6.223 -2.064 -3.993 1.00 0.00 C ATOM 858 CD2 LEU A 55 -6.889 -4.141 -5.287 1.00 0.00 C ATOM 0 H LEU A 55 -3.296 -4.582 -3.238 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.459 -3.051 -5.626 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.674 -2.259 -6.021 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.576 -3.993 -6.255 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.444 -4.024 -3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.078 -2.230 -3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.411 -1.611 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.512 -1.397 -4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.730 -4.265 -4.605 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.208 -3.566 -6.156 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.536 -5.121 -5.610 1.00 0.00 H new ATOM 870 N LEU A 56 -2.684 -0.918 -4.315 1.00 0.00 N ATOM 871 CA LEU A 56 -2.471 0.237 -3.459 1.00 0.00 C ATOM 872 C LEU A 56 -3.583 1.259 -3.706 1.00 0.00 C ATOM 873 O LEU A 56 -4.763 0.911 -3.703 1.00 0.00 O ATOM 874 CB LEU A 56 -1.063 0.799 -3.658 1.00 0.00 C ATOM 875 CG LEU A 56 -0.818 1.545 -4.971 1.00 0.00 C ATOM 876 CD1 LEU A 56 -0.564 3.032 -4.719 1.00 0.00 C ATOM 877 CD2 LEU A 56 0.317 0.897 -5.766 1.00 0.00 C ATOM 0 H LEU A 56 -2.579 -0.734 -5.313 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.528 -0.050 -2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.843 1.476 -2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.352 -0.025 -3.593 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.720 1.471 -5.578 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.393 3.538 -5.669 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.431 3.471 -4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.313 3.149 -4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.471 1.447 -6.695 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.233 0.919 -5.176 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.057 -0.137 -5.995 1.00 0.00 H new TER 889 LEU A 56 ATOM 890 P U B 304 7.103 -5.677 -28.286 1.00 0.00 P ATOM 891 OP1 U B 304 7.943 -6.527 -27.413 1.00 0.00 O ATOM 892 OP2 U B 304 6.509 -6.306 -29.487 1.00 0.00 O ATOM 893 O5' U B 304 5.911 -5.083 -27.398 1.00 0.00 O ATOM 894 C5' U B 304 4.932 -4.235 -27.995 1.00 0.00 C ATOM 895 C4' U B 304 4.338 -3.313 -26.954 1.00 0.00 C ATOM 896 O4' U B 304 5.029 -3.615 -25.703 1.00 0.00 O ATOM 897 C3' U B 304 4.932 -1.908 -26.944 1.00 0.00 C ATOM 898 O3' U B 304 4.314 -1.125 -27.964 1.00 0.00 O ATOM 899 C2' U B 304 4.638 -1.362 -25.575 1.00 0.00 C ATOM 900 O2' U B 304 3.346 -0.820 -25.728 1.00 0.00 O ATOM 901 C1' U B 304 4.720 -2.635 -24.737 1.00 0.00 C ATOM 902 N1 U B 304 5.753 -2.581 -23.682 1.00 0.00 N ATOM 903 C2 U B 304 6.381 -3.753 -23.391 1.00 0.00 C ATOM 904 O2 U B 304 6.131 -4.811 -23.947 1.00 0.00 O ATOM 905 N3 U B 304 7.343 -3.705 -22.407 1.00 0.00 N ATOM 906 C4 U B 304 7.684 -2.559 -21.734 1.00 0.00 C ATOM 907 O4 U B 304 8.560 -2.633 -20.874 1.00 0.00 O ATOM 908 C5 U B 304 7.000 -1.363 -22.077 1.00 0.00 C ATOM 909 C6 U B 304 6.070 -1.433 -23.033 1.00 0.00 C ATOM 0 H5' U B 304 4.146 -4.838 -28.449 1.00 0.00 H new ATOM 0 H5'' U B 304 5.386 -3.649 -28.794 1.00 0.00 H new ATOM 0 H4' U B 304 3.262 -3.403 -27.104 1.00 0.00 H new ATOM 0 H3' U B 304 6.004 -1.899 -27.143 1.00 0.00 H new ATOM 0 H2' U B 304 5.269 -0.593 -25.130 1.00 0.00 H new ATOM 0 HO2' U B 304 3.159 -0.683 -26.680 1.00 0.00 H new ATOM 0 H1' U B 304 3.800 -2.822 -24.184 1.00 0.00 H new ATOM 0 H3 U B 304 7.829 -4.569 -22.165 1.00 0.00 H new ATOM 0 H5 U B 304 7.224 -0.429 -21.582 1.00 0.00 H new ATOM 0 H6 U B 304 5.544 -0.529 -23.303 1.00 0.00 H new ATOM 920 P A B 305 5.118 0.078 -28.647 1.00 0.00 P ATOM 921 OP1 A B 305 5.476 -0.287 -30.036 1.00 0.00 O ATOM 922 OP2 A B 305 6.212 0.518 -27.752 1.00 0.00 O ATOM 923 O5' A B 305 4.028 1.249 -28.709 1.00 0.00 O ATOM 924 C5' A B 305 2.697 0.963 -29.132 1.00 0.00 C ATOM 925 C4' A B 305 1.705 1.680 -28.246 1.00 0.00 C ATOM 926 O4' A B 305 1.855 3.094 -28.487 1.00 0.00 O ATOM 927 C3' A B 305 0.245 1.467 -28.634 1.00 0.00 C ATOM 928 O3' A B 305 -0.330 0.472 -27.788 1.00 0.00 O ATOM 929 C2' A B 305 -0.417 2.803 -28.443 1.00 0.00 C ATOM 930 O2' A B 305 -0.660 2.833 -27.054 1.00 0.00 O ATOM 931 C1' A B 305 0.684 3.738 -28.936 1.00 0.00 C ATOM 932 N9 A B 305 0.697 3.909 -30.404 1.00 0.00 N ATOM 933 C8 A B 305 1.694 3.592 -31.257 1.00 0.00 C ATOM 934 N7 A B 305 1.395 3.871 -32.522 1.00 0.00 N ATOM 935 C5 A B 305 0.132 4.394 -32.452 1.00 0.00 C ATOM 936 C6 A B 305 -0.735 4.879 -33.455 1.00 0.00 C ATOM 937 N6 A B 305 -0.437 4.913 -34.779 1.00 0.00 N ATOM 938 N1 A B 305 -1.953 5.343 -33.059 1.00 0.00 N ATOM 939 C2 A B 305 -2.258 5.313 -31.743 1.00 0.00 C ATOM 940 N3 A B 305 -1.515 4.876 -30.709 1.00 0.00 N ATOM 941 C4 A B 305 -0.314 4.427 -31.170 1.00 0.00 C ATOM 0 H5' A B 305 2.519 -0.112 -29.095 1.00 0.00 H new ATOM 0 H5'' A B 305 2.562 1.274 -30.168 1.00 0.00 H new ATOM 0 H4' A B 305 1.901 1.314 -27.238 1.00 0.00 H new ATOM 0 H3' A B 305 0.125 1.118 -29.660 1.00 0.00 H new ATOM 0 H2' A B 305 -1.352 3.044 -28.948 1.00 0.00 H new ATOM 0 HO2' A B 305 -0.787 1.919 -26.724 1.00 0.00 H new ATOM 0 H1' A B 305 0.558 4.754 -28.561 1.00 0.00 H new ATOM 0 H8 A B 305 2.633 3.159 -30.946 1.00 0.00 H new ATOM 0 H61 A B 305 -1.117 5.279 -35.446 1.00 0.00 H new ATOM 0 H62 A B 305 0.467 4.573 -35.107 1.00 0.00 H new ATOM 0 H2 A B 305 -3.235 5.693 -31.484 1.00 0.00 H new ATOM 953 P U B 306 -0.527 -1.021 -28.328 1.00 0.00 P ATOM 954 OP1 U B 306 -0.377 -1.978 -27.209 1.00 0.00 O ATOM 955 OP2 U B 306 0.315 -1.232 -29.525 1.00 0.00 O ATOM 956 O5' U B 306 -2.058 -1.038 -28.791 1.00 0.00 O ATOM 957 C5' U B 306 -2.700 0.176 -29.176 1.00 0.00 C ATOM 958 C4' U B 306 -3.664 -0.084 -30.311 1.00 0.00 C ATOM 959 O4' U B 306 -3.560 -1.485 -30.606 1.00 0.00 O ATOM 960 C3' U B 306 -5.121 -0.231 -29.880 1.00 0.00 C ATOM 961 O3' U B 306 -5.711 1.061 -29.758 1.00 0.00 O ATOM 962 C2' U B 306 -5.778 -1.037 -30.966 1.00 0.00 C ATOM 963 O2' U B 306 -6.345 -0.044 -31.789 1.00 0.00 O ATOM 964 C1' U B 306 -4.569 -1.762 -31.551 1.00 0.00 C ATOM 965 N1 U B 306 -4.773 -3.218 -31.704 1.00 0.00 N ATOM 966 C2 U B 306 -4.297 -3.777 -32.851 1.00 0.00 C ATOM 967 O2 U B 306 -3.728 -3.144 -33.726 1.00 0.00 O ATOM 968 N3 U B 306 -4.486 -5.133 -32.996 1.00 0.00 N ATOM 969 C4 U B 306 -5.113 -5.916 -32.060 1.00 0.00 C ATOM 970 O4 U B 306 -5.226 -7.118 -32.295 1.00 0.00 O ATOM 971 C5 U B 306 -5.591 -5.283 -30.882 1.00 0.00 C ATOM 972 C6 U B 306 -5.398 -3.968 -30.763 1.00 0.00 C ATOM 0 H5' U B 306 -1.954 0.910 -29.483 1.00 0.00 H new ATOM 0 H5'' U B 306 -3.233 0.600 -28.325 1.00 0.00 H new ATOM 0 H4' U B 306 -3.450 0.703 -31.034 1.00 0.00 H new ATOM 0 H3' U B 306 -5.230 -0.722 -28.913 1.00 0.00 H new ATOM 0 H2' U B 306 -6.559 -1.761 -30.734 1.00 0.00 H new ATOM 0 HO2' U B 306 -6.029 0.838 -31.503 1.00 0.00 H new ATOM 0 H1' U B 306 -4.341 -1.428 -32.563 1.00 0.00 H new ATOM 0 H3 U B 306 -4.141 -5.580 -33.846 1.00 0.00 H new ATOM 0 H5 U B 306 -6.093 -5.846 -30.109 1.00 0.00 H new ATOM 0 H6 U B 306 -5.758 -3.476 -29.872 1.00 0.00 H new ATOM 983 P C B 307 -7.206 1.209 -29.207 1.00 0.00 P ATOM 984 OP1 C B 307 -7.314 2.428 -28.376 1.00 0.00 O ATOM 985 OP2 C B 307 -7.643 -0.070 -28.603 1.00 0.00 O ATOM 986 O5' C B 307 -8.059 1.442 -30.541 1.00 0.00 O ATOM 987 C5' C B 307 -8.140 2.745 -31.116 1.00 0.00 C ATOM 988 C4' C B 307 -9.511 2.963 -31.717 1.00 0.00 C ATOM 989 O4' C B 307 -10.236 1.727 -31.428 1.00 0.00 O ATOM 990 C3' C B 307 -10.421 3.872 -30.895 1.00 0.00 C ATOM 991 O3' C B 307 -10.272 5.219 -31.337 1.00 0.00 O ATOM 992 C2' C B 307 -11.814 3.362 -31.140 1.00 0.00 C ATOM 993 O2' C B 307 -12.102 3.853 -32.431 1.00 0.00 O ATOM 994 C1' C B 307 -11.587 1.856 -31.047 1.00 0.00 C ATOM 995 N1 C B 307 -11.816 1.308 -29.694 1.00 0.00 N ATOM 996 C2 C B 307 -13.132 1.219 -29.244 1.00 0.00 C ATOM 997 O2 C B 307 -14.040 1.599 -29.992 1.00 0.00 O ATOM 998 N3 C B 307 -13.365 0.724 -28.016 1.00 0.00 N ATOM 999 C4 C B 307 -12.386 0.322 -27.232 1.00 0.00 C ATOM 1000 N4 C B 307 -12.636 -0.164 -26.022 1.00 0.00 N ATOM 1001 C5 C B 307 -11.012 0.403 -27.673 1.00 0.00 C ATOM 1002 C6 C B 307 -10.795 0.899 -28.900 1.00 0.00 C ATOM 0 H5' C B 307 -7.375 2.860 -31.884 1.00 0.00 H new ATOM 0 H5'' C B 307 -7.944 3.500 -30.355 1.00 0.00 H new ATOM 0 H4' C B 307 -9.344 3.317 -32.734 1.00 0.00 H new ATOM 0 H3' C B 307 -10.184 3.861 -29.831 1.00 0.00 H new ATOM 0 H2' C B 307 -12.638 3.646 -30.486 1.00 0.00 H new ATOM 0 HO2' C B 307 -12.717 3.240 -32.885 1.00 0.00 H new ATOM 0 H1' C B 307 -12.285 1.297 -31.670 1.00 0.00 H new ATOM 0 H41 C B 307 -11.867 -0.471 -25.427 1.00 0.00 H new ATOM 0 H42 C B 307 -13.597 -0.230 -25.688 1.00 0.00 H new ATOM 0 H5 C B 307 -10.197 0.079 -27.043 1.00 0.00 H new ATOM 0 H6 C B 307 -9.781 0.975 -29.265 1.00 0.00 H new ATOM 1014 P U B 308 -11.064 6.395 -30.597 1.00 0.00 P ATOM 1015 OP1 U B 308 -10.104 7.279 -29.898 1.00 0.00 O ATOM 1016 OP2 U B 308 -12.173 5.826 -29.801 1.00 0.00 O ATOM 1017 O5' U B 308 -11.700 7.220 -31.813 1.00 0.00 O ATOM 1018 C5' U B 308 -11.288 6.949 -33.151 1.00 0.00 C ATOM 1019 C4' U B 308 -9.848 7.367 -33.346 1.00 0.00 C ATOM 1020 O4' U B 308 -9.029 6.223 -33.631 1.00 0.00 O ATOM 1021 C3' U B 308 -9.552 7.991 -34.708 1.00 0.00 C ATOM 1022 O3' U B 308 -9.984 9.350 -34.710 1.00 0.00 O ATOM 1023 C2' U B 308 -8.062 7.885 -34.877 1.00 0.00 C ATOM 1024 O2' U B 308 -7.612 9.156 -34.466 1.00 0.00 O ATOM 1025 C1' U B 308 -7.748 6.738 -33.921 1.00 0.00 C ATOM 1026 N1 U B 308 -6.877 5.699 -34.512 1.00 0.00 N ATOM 1027 C2 U B 308 -5.667 5.517 -33.917 1.00 0.00 C ATOM 1028 O2 U B 308 -5.286 6.155 -32.947 1.00 0.00 O ATOM 1029 N3 U B 308 -4.854 4.551 -34.465 1.00 0.00 N ATOM 1030 C4 U B 308 -5.205 3.791 -35.552 1.00 0.00 C ATOM 1031 O4 U B 308 -4.398 2.956 -35.958 1.00 0.00 O ATOM 1032 C5 U B 308 -6.479 4.022 -36.136 1.00 0.00 C ATOM 1033 C6 U B 308 -7.250 4.964 -35.588 1.00 0.00 C ATOM 0 H5' U B 308 -11.928 7.484 -33.852 1.00 0.00 H new ATOM 0 H5'' U B 308 -11.399 5.886 -33.366 1.00 0.00 H new ATOM 0 H4' U B 308 -9.675 7.979 -32.461 1.00 0.00 H new ATOM 0 H3' U B 308 -10.072 7.493 -35.526 1.00 0.00 H new ATOM 0 H2' U B 308 -7.621 7.676 -35.852 1.00 0.00 H new ATOM 0 HO2' U B 308 -8.315 9.600 -33.948 1.00 0.00 H new ATOM 0 H1' U B 308 -7.189 7.074 -33.048 1.00 0.00 H new ATOM 0 H3 U B 308 -3.941 4.391 -34.040 1.00 0.00 H new ATOM 0 H5 U B 308 -6.812 3.456 -36.993 1.00 0.00 H new ATOM 0 H6 U B 308 -8.220 5.150 -36.024 1.00 0.00 H new ATOM 1044 P G B 309 -9.842 10.232 -36.037 1.00 0.00 P ATOM 1045 OP1 G B 309 -8.421 10.291 -36.447 1.00 0.00 O ATOM 1046 OP2 G B 309 -10.555 11.517 -35.861 1.00 0.00 O ATOM 1047 O5' G B 309 -10.635 9.371 -37.128 1.00 0.00 O ATOM 1048 C5' G B 309 -11.383 10.029 -38.149 1.00 0.00 C ATOM 1049 C4' G B 309 -12.546 9.166 -38.580 1.00 0.00 C ATOM 1050 O4' G B 309 -12.169 7.819 -38.161 1.00 0.00 O ATOM 1051 C3' G B 309 -13.716 9.149 -37.599 1.00 0.00 C ATOM 1052 O3' G B 309 -14.552 10.279 -37.839 1.00 0.00 O ATOM 1053 C2' G B 309 -14.440 7.859 -37.868 1.00 0.00 C ATOM 1054 O2' G B 309 -15.361 8.224 -38.871 1.00 0.00 O ATOM 1055 C1' G B 309 -13.285 6.974 -38.327 1.00 0.00 C ATOM 1056 N9 G B 309 -13.141 5.734 -37.536 1.00 0.00 N ATOM 1057 C8 G B 309 -12.856 5.630 -36.221 1.00 0.00 C ATOM 1058 N7 G B 309 -12.795 4.368 -35.809 1.00 0.00 N ATOM 1059 C5 G B 309 -13.058 3.640 -36.936 1.00 0.00 C ATOM 1060 C6 G B 309 -13.138 2.248 -37.153 1.00 0.00 C ATOM 1061 O6 G B 309 -12.970 1.382 -36.296 1.00 0.00 O ATOM 1062 N1 G B 309 -13.423 1.826 -38.416 1.00 0.00 N ATOM 1063 C2 G B 309 -13.612 2.755 -39.380 1.00 0.00 C ATOM 1064 N2 G B 309 -13.881 2.187 -40.553 1.00 0.00 N ATOM 1065 N3 G B 309 -13.561 4.097 -39.287 1.00 0.00 N ATOM 1066 C4 G B 309 -13.273 4.453 -38.003 1.00 0.00 C ATOM 0 H5' G B 309 -10.740 10.239 -39.004 1.00 0.00 H new ATOM 0 H5'' G B 309 -11.748 10.988 -37.782 1.00 0.00 H new ATOM 0 H4' G B 309 -12.766 9.471 -39.603 1.00 0.00 H new ATOM 0 H3' G B 309 -13.399 9.206 -36.558 1.00 0.00 H new ATOM 0 H2' G B 309 -14.994 7.351 -37.079 1.00 0.00 H new ATOM 0 HO2' G B 309 -15.577 9.176 -38.786 1.00 0.00 H new ATOM 0 HO3' G B 309 -15.304 10.268 -37.211 1.00 0.00 H new ATOM 0 H1' G B 309 -13.426 6.611 -39.345 1.00 0.00 H new ATOM 0 H8 G B 309 -12.695 6.480 -35.574 1.00 0.00 H new ATOM 0 H1 G B 309 -13.492 0.831 -38.630 1.00 0.00 H new ATOM 0 H21 G B 309 -14.047 2.768 -41.375 1.00 0.00 H new ATOM 0 H22 G B 309 -13.921 1.171 -40.630 1.00 0.00 H new TER 1078 G B 309 HETATM 1079 ZN ZN A 57 -11.282 -5.203 -35.626 1.00 0.00 ZN