USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 516 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0786 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.331 K(o=-0.33,f=-2.4!) USER MOD Single : A 12 GLN : amide:sc= -0.213 K(o=-0.21,f=-1) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.12 K(o=-1.1,f=-4.5!) USER MOD Single : A 25 GLN : amide:sc= -2.34 K(o=-2.3,f=-7.3!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0492) USER MOD Single : A 41 LYS NZ :NH3+ 136:sc= 0.661 (180deg=-0.171) USER MOD Single : A 42 LYS NZ :NH3+ -148:sc= -0.0521 (180deg=-1.72!) USER MOD Single : A 52 GLN : amide:sc= -0.165 K(o=-0.17,f=-1.5!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : B 517 U O2' : rot -4:sc= 0.0813 USER MOD Single : B 518 U O2' : rot -33:sc= 0.369 USER MOD Single : B 519 U O2' : rot -17:sc= 0.26 USER MOD Single : B 520 U O2' : rot -12:sc= 0.462 USER MOD Single : B 521 G O2' : rot -22:sc= -1.04! USER MOD Single : B 522 C O2' : rot -22:sc= 0.479 USER MOD Single : B 523 U O2' : rot -12:sc= 0.489 USER MOD Single : B 523 U O3' : rot 180:sc= 0.342 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.485 9.817 11.707 1.00 0.00 N ATOM 2 CA ALA A 1 -9.606 10.075 10.819 1.00 0.00 C ATOM 3 C ALA A 1 -9.278 11.271 9.924 1.00 0.00 C ATOM 4 O ALA A 1 -9.951 12.299 9.984 1.00 0.00 O ATOM 5 CB ALA A 1 -10.873 10.297 11.648 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.705 9.004 12.317 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.637 9.607 11.143 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.310 10.655 12.297 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.787 9.218 10.170 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -11.714 10.491 10.982 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -11.079 9.407 12.243 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.730 11.151 12.310 1.00 0.00 H new ATOM 11 N THR A 2 -8.244 11.098 9.114 1.00 0.00 N ATOM 12 CA THR A 2 -7.818 12.151 8.208 1.00 0.00 C ATOM 13 C THR A 2 -7.285 11.551 6.906 1.00 0.00 C ATOM 14 O THR A 2 -6.792 10.424 6.894 1.00 0.00 O ATOM 15 CB THR A 2 -6.794 13.020 8.941 1.00 0.00 C ATOM 16 OG1 THR A 2 -7.569 13.739 9.896 1.00 0.00 O ATOM 17 CG2 THR A 2 -6.203 14.110 8.044 1.00 0.00 C ATOM 0 H THR A 2 -7.688 10.244 9.066 1.00 0.00 H new ATOM 0 HA THR A 2 -8.655 12.786 7.918 1.00 0.00 H new ATOM 0 HB THR A 2 -5.991 12.390 9.324 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.983 14.327 10.417 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.482 14.698 8.612 1.00 0.00 H new ATOM 0 HG22 THR A 2 -5.703 13.649 7.192 1.00 0.00 H new ATOM 0 HG23 THR A 2 -7.002 14.761 7.688 1.00 0.00 H new ATOM 25 N VAL A 3 -7.403 12.330 5.841 1.00 0.00 N ATOM 26 CA VAL A 3 -6.938 11.890 4.536 1.00 0.00 C ATOM 27 C VAL A 3 -6.101 12.999 3.896 1.00 0.00 C ATOM 28 O VAL A 3 -6.534 14.148 3.831 1.00 0.00 O ATOM 29 CB VAL A 3 -8.129 11.466 3.673 1.00 0.00 C ATOM 30 CG1 VAL A 3 -8.861 10.276 4.297 1.00 0.00 C ATOM 31 CG2 VAL A 3 -9.084 12.637 3.443 1.00 0.00 C ATOM 0 H VAL A 3 -7.814 13.263 5.855 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.296 11.015 4.634 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.745 11.152 2.702 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.703 9.994 3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.176 9.433 4.386 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.227 10.552 5.286 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -9.921 12.308 2.827 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -9.458 12.995 4.402 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.555 13.444 2.936 1.00 0.00 H new ATOM 41 N VAL A 4 -4.918 12.614 3.440 1.00 0.00 N ATOM 42 CA VAL A 4 -4.016 13.562 2.808 1.00 0.00 C ATOM 43 C VAL A 4 -2.981 12.799 1.979 1.00 0.00 C ATOM 44 O VAL A 4 -2.595 11.686 2.333 1.00 0.00 O ATOM 45 CB VAL A 4 -3.384 14.470 3.865 1.00 0.00 C ATOM 46 CG1 VAL A 4 -2.427 13.682 4.761 1.00 0.00 C ATOM 47 CG2 VAL A 4 -2.674 15.658 3.214 1.00 0.00 C ATOM 0 H VAL A 4 -4.563 11.659 3.496 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.563 14.213 2.126 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.184 14.862 4.492 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.991 14.350 5.504 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.974 12.886 5.266 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.633 13.248 4.153 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.234 16.287 3.988 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.889 15.294 2.552 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.393 16.241 2.638 1.00 0.00 H new ATOM 57 N SER A 5 -2.560 13.428 0.892 1.00 0.00 N ATOM 58 CA SER A 5 -1.576 12.823 0.010 1.00 0.00 C ATOM 59 C SER A 5 -0.376 13.757 -0.156 1.00 0.00 C ATOM 60 O SER A 5 -0.475 14.954 0.111 1.00 0.00 O ATOM 61 CB SER A 5 -2.187 12.495 -1.353 1.00 0.00 C ATOM 62 OG SER A 5 -2.367 11.093 -1.535 1.00 0.00 O ATOM 0 H SER A 5 -2.882 14.351 0.602 1.00 0.00 H new ATOM 0 HA SER A 5 -1.240 11.889 0.462 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.148 12.999 -1.450 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.543 12.883 -2.142 1.00 0.00 H new ATOM 0 HG SER A 5 -2.761 10.925 -2.417 1.00 0.00 H new ATOM 68 N GLY A 6 0.729 13.175 -0.596 1.00 0.00 N ATOM 69 CA GLY A 6 1.947 13.942 -0.802 1.00 0.00 C ATOM 70 C GLY A 6 2.585 13.606 -2.151 1.00 0.00 C ATOM 71 O GLY A 6 3.061 12.491 -2.358 1.00 0.00 O ATOM 0 H GLY A 6 0.807 12.182 -0.816 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.722 15.008 -0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 6 2.654 13.732 0.001 1.00 0.00 H new ATOM 75 N GLN A 7 2.573 14.593 -3.037 1.00 0.00 N ATOM 76 CA GLN A 7 3.145 14.417 -4.361 1.00 0.00 C ATOM 77 C GLN A 7 3.111 15.737 -5.134 1.00 0.00 C ATOM 78 O GLN A 7 2.436 16.681 -4.726 1.00 0.00 O ATOM 79 CB GLN A 7 2.416 13.313 -5.129 1.00 0.00 C ATOM 80 CG GLN A 7 3.399 12.478 -5.953 1.00 0.00 C ATOM 81 CD GLN A 7 2.805 11.109 -6.293 1.00 0.00 C ATOM 82 OE1 GLN A 7 1.601 10.913 -6.304 1.00 0.00 O ATOM 83 NE2 GLN A 7 3.715 10.179 -6.569 1.00 0.00 N ATOM 0 H GLN A 7 2.176 15.516 -2.863 1.00 0.00 H new ATOM 0 HA GLN A 7 4.185 14.111 -4.249 1.00 0.00 H new ATOM 0 HB2 GLN A 7 1.884 12.669 -4.429 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.668 13.756 -5.787 1.00 0.00 H new ATOM 0 HG2 GLN A 7 3.650 13.008 -6.872 1.00 0.00 H new ATOM 0 HG3 GLN A 7 4.327 12.348 -5.396 1.00 0.00 H new ATOM 0 HE21 GLN A 7 4.708 10.412 -6.541 1.00 0.00 H new ATOM 0 HE22 GLN A 7 3.420 9.232 -6.809 1.00 0.00 H new ATOM 92 N LYS A 8 3.846 15.761 -6.235 1.00 0.00 N ATOM 93 CA LYS A 8 3.909 16.950 -7.067 1.00 0.00 C ATOM 94 C LYS A 8 4.459 16.574 -8.445 1.00 0.00 C ATOM 95 O LYS A 8 5.668 16.618 -8.668 1.00 0.00 O ATOM 96 CB LYS A 8 4.706 18.053 -6.369 1.00 0.00 C ATOM 97 CG LYS A 8 4.521 19.397 -7.077 1.00 0.00 C ATOM 98 CD LYS A 8 3.216 20.069 -6.647 1.00 0.00 C ATOM 99 CE LYS A 8 2.081 19.735 -7.617 1.00 0.00 C ATOM 100 NZ LYS A 8 1.696 20.933 -8.396 1.00 0.00 N ATOM 0 H LYS A 8 4.404 14.976 -6.571 1.00 0.00 H new ATOM 0 HA LYS A 8 2.910 17.359 -7.221 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.384 18.138 -5.331 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.763 17.788 -6.354 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.363 20.051 -6.849 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.518 19.246 -8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.948 19.742 -5.642 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.356 21.149 -6.604 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.395 18.940 -8.293 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.220 19.362 -7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.925 20.689 -9.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.377 21.681 -7.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.516 21.272 -8.939 1.00 0.00 H new ATOM 114 N GLN A 9 3.544 16.212 -9.333 1.00 0.00 N ATOM 115 CA GLN A 9 3.921 15.828 -10.683 1.00 0.00 C ATOM 116 C GLN A 9 3.408 16.858 -11.691 1.00 0.00 C ATOM 117 O GLN A 9 2.520 17.650 -11.377 1.00 0.00 O ATOM 118 CB GLN A 9 3.408 14.427 -11.019 1.00 0.00 C ATOM 119 CG GLN A 9 4.505 13.580 -11.665 1.00 0.00 C ATOM 120 CD GLN A 9 4.535 12.172 -11.066 1.00 0.00 C ATOM 121 OE1 GLN A 9 3.689 11.788 -10.276 1.00 0.00 O ATOM 122 NE2 GLN A 9 5.555 11.427 -11.485 1.00 0.00 N ATOM 0 H GLN A 9 2.542 16.177 -9.144 1.00 0.00 H new ATOM 0 HA GLN A 9 5.009 15.803 -10.742 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.054 13.938 -10.111 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.556 14.501 -11.694 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.336 13.518 -12.740 1.00 0.00 H new ATOM 0 HG3 GLN A 9 5.473 14.061 -11.522 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.228 11.811 -12.148 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.664 10.472 -11.143 1.00 0.00 H new ATOM 131 N ASP A 10 3.987 16.813 -12.882 1.00 0.00 N ATOM 132 CA ASP A 10 3.598 17.732 -13.938 1.00 0.00 C ATOM 133 C ASP A 10 2.211 17.347 -14.459 1.00 0.00 C ATOM 134 O ASP A 10 1.761 16.220 -14.259 1.00 0.00 O ATOM 135 CB ASP A 10 4.578 17.669 -15.111 1.00 0.00 C ATOM 136 CG ASP A 10 4.556 18.887 -16.038 1.00 0.00 C ATOM 137 OD1 ASP A 10 3.572 19.003 -16.798 1.00 0.00 O ATOM 138 OD2 ASP A 10 5.525 19.673 -15.964 1.00 0.00 O ATOM 0 H ASP A 10 4.722 16.155 -13.139 1.00 0.00 H new ATOM 0 HA ASP A 10 3.596 18.740 -13.524 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.587 17.550 -14.716 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.359 16.779 -15.700 1.00 0.00 H new ATOM 143 N ARG A 11 1.574 18.305 -15.116 1.00 0.00 N ATOM 144 CA ARG A 11 0.248 18.080 -15.666 1.00 0.00 C ATOM 145 C ARG A 11 -0.132 19.219 -16.615 1.00 0.00 C ATOM 146 O ARG A 11 -0.798 20.171 -16.212 1.00 0.00 O ATOM 147 CB ARG A 11 -0.799 17.980 -14.556 1.00 0.00 C ATOM 148 CG ARG A 11 -1.687 16.748 -14.750 1.00 0.00 C ATOM 149 CD ARG A 11 -3.143 17.154 -14.986 1.00 0.00 C ATOM 150 NE ARG A 11 -3.266 17.869 -16.276 1.00 0.00 N ATOM 151 CZ ARG A 11 -4.404 17.959 -16.979 1.00 0.00 C ATOM 152 NH1 ARG A 11 -5.523 17.381 -16.520 1.00 0.00 N ATOM 153 NH2 ARG A 11 -4.423 18.628 -18.140 1.00 0.00 N ATOM 0 H ARG A 11 1.951 19.238 -15.280 1.00 0.00 H new ATOM 0 HA ARG A 11 0.271 17.138 -16.213 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.303 17.926 -13.587 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.415 18.879 -14.550 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.326 16.165 -15.597 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.622 16.107 -13.871 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.780 16.269 -14.989 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.488 17.792 -14.173 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.433 18.321 -16.654 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.509 16.873 -15.636 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.389 17.450 -17.055 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.572 19.069 -18.489 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.289 18.697 -18.675 1.00 0.00 H new ATOM 167 N GLN A 12 0.307 19.082 -17.858 1.00 0.00 N ATOM 168 CA GLN A 12 0.021 20.087 -18.867 1.00 0.00 C ATOM 169 C GLN A 12 -0.390 19.419 -20.180 1.00 0.00 C ATOM 170 O GLN A 12 0.462 18.965 -20.944 1.00 0.00 O ATOM 171 CB GLN A 12 1.221 21.012 -19.075 1.00 0.00 C ATOM 172 CG GLN A 12 1.170 22.202 -18.114 1.00 0.00 C ATOM 173 CD GLN A 12 0.636 23.452 -18.815 1.00 0.00 C ATOM 174 OE1 GLN A 12 0.902 23.703 -19.979 1.00 0.00 O ATOM 175 NE2 GLN A 12 -0.128 24.220 -18.044 1.00 0.00 N ATOM 0 H GLN A 12 0.858 18.290 -18.189 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.811 20.698 -18.517 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.145 20.455 -18.921 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.234 21.371 -20.104 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.534 21.959 -17.263 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.167 22.399 -17.721 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.311 23.951 -17.077 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.531 25.078 -18.419 1.00 0.00 H new ATOM 184 N GLY A 13 -1.695 19.378 -20.403 1.00 0.00 N ATOM 185 CA GLY A 13 -2.230 18.772 -21.611 1.00 0.00 C ATOM 186 C GLY A 13 -3.696 18.377 -21.424 1.00 0.00 C ATOM 187 O GLY A 13 -4.520 19.204 -21.039 1.00 0.00 O ATOM 0 H GLY A 13 -2.398 19.755 -19.768 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.141 19.471 -22.443 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.643 17.891 -21.871 1.00 0.00 H new ATOM 191 N GLY A 14 -3.976 17.113 -21.708 1.00 0.00 N ATOM 192 CA GLY A 14 -5.328 16.598 -21.575 1.00 0.00 C ATOM 193 C GLY A 14 -6.065 16.642 -22.916 1.00 0.00 C ATOM 194 O GLY A 14 -6.993 17.429 -23.093 1.00 0.00 O ATOM 0 H GLY A 14 -3.289 16.431 -22.030 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.296 15.573 -21.207 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.874 17.185 -20.836 1.00 0.00 H new ATOM 198 N GLU A 15 -5.622 15.785 -23.826 1.00 0.00 N ATOM 199 CA GLU A 15 -6.228 15.716 -25.144 1.00 0.00 C ATOM 200 C GLU A 15 -5.660 14.531 -25.928 1.00 0.00 C ATOM 201 O GLU A 15 -4.499 14.165 -25.749 1.00 0.00 O ATOM 202 CB GLU A 15 -6.028 17.026 -25.909 1.00 0.00 C ATOM 203 CG GLU A 15 -6.817 17.021 -27.220 1.00 0.00 C ATOM 204 CD GLU A 15 -8.302 17.296 -26.967 1.00 0.00 C ATOM 205 OE1 GLU A 15 -8.880 16.564 -26.135 1.00 0.00 O ATOM 206 OE2 GLU A 15 -8.823 18.231 -27.612 1.00 0.00 O ATOM 0 H GLU A 15 -4.851 15.134 -23.676 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.301 15.565 -25.022 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.348 17.865 -25.291 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.968 17.171 -26.119 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.413 17.776 -27.895 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.701 16.057 -27.715 1.00 0.00 H new ATOM 213 N ARG A 16 -6.503 13.967 -26.779 1.00 0.00 N ATOM 214 CA ARG A 16 -6.098 12.831 -27.591 1.00 0.00 C ATOM 215 C ARG A 16 -7.209 12.458 -28.574 1.00 0.00 C ATOM 216 O ARG A 16 -7.015 12.517 -29.788 1.00 0.00 O ATOM 217 CB ARG A 16 -5.772 11.618 -26.717 1.00 0.00 C ATOM 218 CG ARG A 16 -4.399 11.043 -27.068 1.00 0.00 C ATOM 219 CD ARG A 16 -4.521 9.605 -27.579 1.00 0.00 C ATOM 220 NE ARG A 16 -4.293 9.567 -29.041 1.00 0.00 N ATOM 221 CZ ARG A 16 -3.912 8.473 -29.713 1.00 0.00 C ATOM 222 NH1 ARG A 16 -3.713 7.320 -29.060 1.00 0.00 N ATOM 223 NH2 ARG A 16 -3.730 8.532 -31.040 1.00 0.00 N ATOM 0 H ARG A 16 -7.465 14.275 -26.925 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.203 13.120 -28.142 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.792 11.907 -25.666 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.536 10.852 -26.852 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.924 11.664 -27.828 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.755 11.067 -26.189 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.796 8.968 -27.073 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.510 9.210 -27.346 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.435 10.428 -29.570 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.852 7.275 -28.050 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.423 6.487 -29.572 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.882 9.410 -31.537 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.440 7.699 -31.552 1.00 0.00 H new ATOM 237 N ARG A 17 -8.351 12.085 -28.015 1.00 0.00 N ATOM 238 CA ARG A 17 -9.494 11.703 -28.826 1.00 0.00 C ATOM 239 C ARG A 17 -10.735 11.533 -27.950 1.00 0.00 C ATOM 240 O ARG A 17 -10.692 10.841 -26.933 1.00 0.00 O ATOM 241 CB ARG A 17 -9.224 10.397 -29.577 1.00 0.00 C ATOM 242 CG ARG A 17 -9.315 10.605 -31.090 1.00 0.00 C ATOM 243 CD ARG A 17 -8.121 9.968 -31.803 1.00 0.00 C ATOM 244 NE ARG A 17 -8.595 9.049 -32.862 1.00 0.00 N ATOM 245 CZ ARG A 17 -7.851 8.661 -33.908 1.00 0.00 C ATOM 246 NH1 ARG A 17 -6.596 9.110 -34.041 1.00 0.00 N ATOM 247 NH2 ARG A 17 -8.365 7.825 -34.820 1.00 0.00 N ATOM 0 H ARG A 17 -8.509 12.039 -27.008 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.665 12.498 -29.552 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.234 10.022 -29.317 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.944 9.639 -29.267 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.242 10.171 -31.465 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.350 11.671 -31.313 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.491 10.744 -32.238 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.507 9.424 -31.086 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.547 8.688 -32.792 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.206 9.747 -33.347 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.030 8.815 -34.837 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.321 7.485 -34.718 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.800 7.529 -35.616 1.00 0.00 H new ATOM 261 N ARG A 18 -11.813 12.176 -28.374 1.00 0.00 N ATOM 262 CA ARG A 18 -13.065 12.105 -27.640 1.00 0.00 C ATOM 263 C ARG A 18 -14.250 12.255 -28.596 1.00 0.00 C ATOM 264 O ARG A 18 -15.354 12.595 -28.174 1.00 0.00 O ATOM 265 CB ARG A 18 -13.139 13.197 -26.571 1.00 0.00 C ATOM 266 CG ARG A 18 -13.194 14.587 -27.210 1.00 0.00 C ATOM 267 CD ARG A 18 -14.190 15.488 -26.477 1.00 0.00 C ATOM 268 NE ARG A 18 -14.373 16.751 -27.225 1.00 0.00 N ATOM 269 CZ ARG A 18 -15.019 17.822 -26.744 1.00 0.00 C ATOM 270 NH1 ARG A 18 -15.547 17.789 -25.513 1.00 0.00 N ATOM 271 NH2 ARG A 18 -15.138 18.927 -27.494 1.00 0.00 N ATOM 0 H ARG A 18 -11.845 12.749 -29.217 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.109 11.131 -27.152 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.021 13.043 -25.949 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.271 13.128 -25.915 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.203 15.041 -27.188 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.481 14.498 -28.258 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.147 14.976 -26.371 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.829 15.700 -25.471 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.983 16.810 -28.166 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.457 16.949 -24.942 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -16.039 18.604 -25.147 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.737 18.953 -28.431 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.630 19.742 -27.127 1.00 0.00 H new ATOM 285 N SER A 19 -13.981 11.995 -29.867 1.00 0.00 N ATOM 286 CA SER A 19 -15.012 12.097 -30.887 1.00 0.00 C ATOM 287 C SER A 19 -16.345 11.590 -30.334 1.00 0.00 C ATOM 288 O SER A 19 -17.304 12.353 -30.221 1.00 0.00 O ATOM 289 CB SER A 19 -14.625 11.311 -32.141 1.00 0.00 C ATOM 290 OG SER A 19 -15.048 11.967 -33.333 1.00 0.00 O ATOM 0 H SER A 19 -13.064 11.714 -30.214 1.00 0.00 H new ATOM 0 HA SER A 19 -15.116 13.146 -31.166 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.544 11.176 -32.165 1.00 0.00 H new ATOM 0 HB3 SER A 19 -15.069 10.317 -32.097 1.00 0.00 H new ATOM 0 HG SER A 19 -14.781 11.435 -34.112 1.00 0.00 H new ATOM 296 N GLN A 20 -16.364 10.307 -30.006 1.00 0.00 N ATOM 297 CA GLN A 20 -17.566 9.690 -29.468 1.00 0.00 C ATOM 298 C GLN A 20 -17.326 9.229 -28.029 1.00 0.00 C ATOM 299 O GLN A 20 -17.665 8.102 -27.670 1.00 0.00 O ATOM 300 CB GLN A 20 -18.025 8.526 -30.347 1.00 0.00 C ATOM 301 CG GLN A 20 -18.745 9.034 -31.598 1.00 0.00 C ATOM 302 CD GLN A 20 -20.154 9.525 -31.257 1.00 0.00 C ATOM 303 OE1 GLN A 20 -20.352 10.387 -30.418 1.00 0.00 O ATOM 304 NE2 GLN A 20 -21.117 8.931 -31.955 1.00 0.00 N ATOM 0 H GLN A 20 -15.567 9.677 -30.102 1.00 0.00 H new ATOM 0 HA GLN A 20 -18.362 10.434 -29.463 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -17.164 7.924 -30.638 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -18.691 7.877 -29.778 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -18.172 9.845 -32.048 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -18.803 8.236 -32.338 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -20.881 8.216 -32.643 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -22.092 9.190 -31.802 1.00 0.00 H new ATOM 313 N LEU A 21 -16.746 10.124 -27.243 1.00 0.00 N ATOM 314 CA LEU A 21 -16.457 9.822 -25.851 1.00 0.00 C ATOM 315 C LEU A 21 -17.519 10.473 -24.963 1.00 0.00 C ATOM 316 O LEU A 21 -17.355 11.612 -24.526 1.00 0.00 O ATOM 317 CB LEU A 21 -15.025 10.231 -25.500 1.00 0.00 C ATOM 318 CG LEU A 21 -14.633 10.101 -24.026 1.00 0.00 C ATOM 319 CD1 LEU A 21 -14.882 11.410 -23.275 1.00 0.00 C ATOM 320 CD2 LEU A 21 -15.349 8.919 -23.371 1.00 0.00 C ATOM 0 H LEU A 21 -16.468 11.058 -27.543 1.00 0.00 H new ATOM 0 HA LEU A 21 -16.508 8.748 -25.675 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -14.339 9.625 -26.093 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.879 11.267 -25.804 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.563 9.899 -23.973 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.595 11.290 -22.230 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.289 12.206 -23.725 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -15.939 11.668 -23.334 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -15.053 8.849 -22.324 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.427 9.066 -23.434 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.078 7.998 -23.887 1.00 0.00 H new ATOM 332 N ASP A 22 -18.584 9.724 -24.721 1.00 0.00 N ATOM 333 CA ASP A 22 -19.672 10.214 -23.893 1.00 0.00 C ATOM 334 C ASP A 22 -19.300 10.046 -22.418 1.00 0.00 C ATOM 335 O ASP A 22 -18.345 9.343 -22.091 1.00 0.00 O ATOM 336 CB ASP A 22 -20.958 9.425 -24.149 1.00 0.00 C ATOM 337 CG ASP A 22 -22.233 10.270 -24.210 1.00 0.00 C ATOM 338 OD1 ASP A 22 -22.132 11.474 -23.891 1.00 0.00 O ATOM 339 OD2 ASP A 22 -23.279 9.691 -24.576 1.00 0.00 O ATOM 0 H ASP A 22 -18.717 8.780 -25.084 1.00 0.00 H new ATOM 0 HA ASP A 22 -19.837 11.263 -24.140 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -20.853 8.884 -25.089 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -21.072 8.679 -23.362 1.00 0.00 H new ATOM 344 N ARG A 23 -20.075 10.702 -21.567 1.00 0.00 N ATOM 345 CA ARG A 23 -19.839 10.634 -20.134 1.00 0.00 C ATOM 346 C ARG A 23 -20.066 9.209 -19.626 1.00 0.00 C ATOM 347 O ARG A 23 -19.736 8.893 -18.484 1.00 0.00 O ATOM 348 CB ARG A 23 -20.763 11.591 -19.378 1.00 0.00 C ATOM 349 CG ARG A 23 -20.262 11.821 -17.951 1.00 0.00 C ATOM 350 CD ARG A 23 -18.977 12.651 -17.947 1.00 0.00 C ATOM 351 NE ARG A 23 -18.922 13.494 -16.732 1.00 0.00 N ATOM 352 CZ ARG A 23 -17.801 14.052 -16.254 1.00 0.00 C ATOM 353 NH1 ARG A 23 -16.635 13.859 -16.886 1.00 0.00 N ATOM 354 NH2 ARG A 23 -17.846 14.803 -15.145 1.00 0.00 N ATOM 0 H ARG A 23 -20.867 11.283 -21.842 1.00 0.00 H new ATOM 0 HA ARG A 23 -18.805 10.927 -19.954 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -20.818 12.543 -19.906 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -21.773 11.182 -19.352 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -21.030 12.331 -17.370 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -20.081 10.862 -17.467 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -18.109 11.993 -17.982 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -18.937 13.279 -18.837 1.00 0.00 H new ATOM 0 HE ARG A 23 -19.792 13.661 -16.226 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.601 13.288 -17.730 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.782 14.283 -16.523 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.734 14.950 -14.664 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.993 15.227 -14.782 1.00 0.00 H new ATOM 368 N ASP A 24 -20.629 8.387 -20.500 1.00 0.00 N ATOM 369 CA ASP A 24 -20.904 7.002 -20.154 1.00 0.00 C ATOM 370 C ASP A 24 -20.408 6.091 -21.278 1.00 0.00 C ATOM 371 O ASP A 24 -20.949 5.007 -21.488 1.00 0.00 O ATOM 372 CB ASP A 24 -22.406 6.766 -19.982 1.00 0.00 C ATOM 373 CG ASP A 24 -23.283 7.335 -21.098 1.00 0.00 C ATOM 374 OD1 ASP A 24 -23.471 6.610 -22.099 1.00 0.00 O ATOM 375 OD2 ASP A 24 -23.744 8.485 -20.927 1.00 0.00 O ATOM 0 H ASP A 24 -20.902 8.653 -21.446 1.00 0.00 H new ATOM 0 HA ASP A 24 -20.394 6.781 -19.216 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -22.584 5.693 -19.912 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -22.721 7.203 -19.035 1.00 0.00 H new ATOM 380 N GLN A 25 -19.383 6.566 -21.971 1.00 0.00 N ATOM 381 CA GLN A 25 -18.807 5.808 -23.069 1.00 0.00 C ATOM 382 C GLN A 25 -17.329 5.520 -22.798 1.00 0.00 C ATOM 383 O GLN A 25 -16.565 6.429 -22.482 1.00 0.00 O ATOM 384 CB GLN A 25 -18.988 6.543 -24.398 1.00 0.00 C ATOM 385 CG GLN A 25 -19.472 5.589 -25.492 1.00 0.00 C ATOM 386 CD GLN A 25 -19.643 6.324 -26.824 1.00 0.00 C ATOM 387 OE1 GLN A 25 -19.852 7.524 -26.878 1.00 0.00 O ATOM 388 NE2 GLN A 25 -19.541 5.538 -27.891 1.00 0.00 N ATOM 0 H GLN A 25 -18.937 7.466 -21.793 1.00 0.00 H new ATOM 0 HA GLN A 25 -19.334 4.857 -23.143 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -19.706 7.354 -24.274 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.043 6.997 -24.698 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -18.758 4.774 -25.611 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -20.420 5.141 -25.195 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -19.365 4.540 -27.774 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -19.639 5.933 -28.826 1.00 0.00 H new ATOM 397 N CYS A 26 -16.972 4.251 -22.932 1.00 0.00 N ATOM 398 CA CYS A 26 -15.599 3.832 -22.705 1.00 0.00 C ATOM 399 C CYS A 26 -14.699 4.590 -23.683 1.00 0.00 C ATOM 400 O CYS A 26 -14.959 4.611 -24.884 1.00 0.00 O ATOM 401 CB CYS A 26 -15.441 2.317 -22.842 1.00 0.00 C ATOM 402 SG CYS A 26 -13.677 1.856 -22.681 1.00 0.00 S ATOM 0 H CYS A 26 -17.610 3.499 -23.195 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.306 4.071 -21.683 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -16.029 1.811 -22.077 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -15.825 1.989 -23.808 1.00 0.00 H new ATOM 407 N ALA A 27 -13.658 5.196 -23.129 1.00 0.00 N ATOM 408 CA ALA A 27 -12.717 5.953 -23.937 1.00 0.00 C ATOM 409 C ALA A 27 -11.480 5.096 -24.210 1.00 0.00 C ATOM 410 O ALA A 27 -10.362 5.607 -24.252 1.00 0.00 O ATOM 411 CB ALA A 27 -12.372 7.263 -23.225 1.00 0.00 C ATOM 0 H ALA A 27 -13.446 5.178 -22.131 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.159 6.210 -24.900 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.666 7.831 -23.831 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.280 7.849 -23.081 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.924 7.043 -22.256 1.00 0.00 H new ATOM 417 N TYR A 28 -11.722 3.806 -24.390 1.00 0.00 N ATOM 418 CA TYR A 28 -10.641 2.872 -24.660 1.00 0.00 C ATOM 419 C TYR A 28 -10.967 1.989 -25.867 1.00 0.00 C ATOM 420 O TYR A 28 -10.171 1.891 -26.799 1.00 0.00 O ATOM 421 CB TYR A 28 -10.528 1.989 -23.415 1.00 0.00 C ATOM 422 CG TYR A 28 -9.140 1.379 -23.210 1.00 0.00 C ATOM 423 CD1 TYR A 28 -8.121 2.145 -22.677 1.00 0.00 C ATOM 424 CD2 TYR A 28 -8.906 0.064 -23.556 1.00 0.00 C ATOM 425 CE1 TYR A 28 -6.814 1.571 -22.485 1.00 0.00 C ATOM 426 CE2 TYR A 28 -7.599 -0.510 -23.363 1.00 0.00 C ATOM 427 CZ TYR A 28 -6.618 0.271 -22.837 1.00 0.00 C ATOM 428 OH TYR A 28 -5.384 -0.270 -22.655 1.00 0.00 O ATOM 0 H TYR A 28 -12.650 3.385 -24.354 1.00 0.00 H new ATOM 0 HA TYR A 28 -9.717 3.407 -24.880 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -10.787 2.581 -22.537 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -11.261 1.185 -23.484 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.304 3.174 -22.404 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.703 -0.535 -23.972 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.008 2.159 -22.071 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.403 -1.538 -23.630 1.00 0.00 H new ATOM 0 HH TYR A 28 -5.390 -1.205 -22.949 1.00 0.00 H new ATOM 438 N CYS A 29 -12.137 1.373 -25.810 1.00 0.00 N ATOM 439 CA CYS A 29 -12.578 0.502 -26.887 1.00 0.00 C ATOM 440 C CYS A 29 -13.702 1.209 -27.646 1.00 0.00 C ATOM 441 O CYS A 29 -13.950 0.912 -28.814 1.00 0.00 O ATOM 442 CB CYS A 29 -13.015 -0.868 -26.365 1.00 0.00 C ATOM 443 SG CYS A 29 -14.458 -0.683 -25.256 1.00 0.00 S ATOM 0 H CYS A 29 -12.794 1.459 -25.035 1.00 0.00 H new ATOM 0 HA CYS A 29 -11.747 0.310 -27.566 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -13.269 -1.521 -27.200 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -12.192 -1.342 -25.829 1.00 0.00 H new ATOM 448 N LYS A 30 -14.352 2.132 -26.952 1.00 0.00 N ATOM 449 CA LYS A 30 -15.445 2.883 -27.547 1.00 0.00 C ATOM 450 C LYS A 30 -16.766 2.164 -27.266 1.00 0.00 C ATOM 451 O LYS A 30 -17.724 2.299 -28.026 1.00 0.00 O ATOM 452 CB LYS A 30 -15.181 3.125 -29.035 1.00 0.00 C ATOM 453 CG LYS A 30 -13.712 3.473 -29.282 1.00 0.00 C ATOM 454 CD LYS A 30 -13.580 4.820 -29.997 1.00 0.00 C ATOM 455 CE LYS A 30 -13.390 5.959 -28.992 1.00 0.00 C ATOM 456 NZ LYS A 30 -13.748 7.256 -29.606 1.00 0.00 N ATOM 0 H LYS A 30 -14.143 2.377 -25.984 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.518 3.872 -27.094 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.448 2.235 -29.605 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -15.816 3.935 -29.393 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.178 3.508 -28.332 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.245 2.692 -29.882 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.733 4.790 -30.683 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.470 5.005 -30.598 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.009 5.783 -28.112 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.354 5.984 -28.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.614 8.018 -28.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.140 7.429 -30.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.743 7.234 -29.908 1.00 0.00 H new ATOM 470 N GLU A 31 -16.774 1.416 -26.173 1.00 0.00 N ATOM 471 CA GLU A 31 -17.961 0.674 -25.782 1.00 0.00 C ATOM 472 C GLU A 31 -18.796 1.493 -24.795 1.00 0.00 C ATOM 473 O GLU A 31 -18.327 1.828 -23.709 1.00 0.00 O ATOM 474 CB GLU A 31 -17.588 -0.685 -25.188 1.00 0.00 C ATOM 475 CG GLU A 31 -17.065 -1.631 -26.271 1.00 0.00 C ATOM 476 CD GLU A 31 -18.215 -2.374 -26.953 1.00 0.00 C ATOM 477 OE1 GLU A 31 -18.676 -3.373 -26.362 1.00 0.00 O ATOM 478 OE2 GLU A 31 -18.607 -1.925 -28.052 1.00 0.00 O ATOM 0 H GLU A 31 -15.977 1.307 -25.545 1.00 0.00 H new ATOM 0 HA GLU A 31 -18.561 0.491 -26.673 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.828 -0.553 -24.417 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -18.460 -1.126 -24.704 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -16.503 -1.064 -27.013 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.375 -2.349 -25.829 1.00 0.00 H new ATOM 485 N LYS A 32 -20.019 1.790 -25.208 1.00 0.00 N ATOM 486 CA LYS A 32 -20.924 2.563 -24.375 1.00 0.00 C ATOM 487 C LYS A 32 -21.514 1.656 -23.293 1.00 0.00 C ATOM 488 O LYS A 32 -22.101 0.619 -23.600 1.00 0.00 O ATOM 489 CB LYS A 32 -21.980 3.262 -25.234 1.00 0.00 C ATOM 490 CG LYS A 32 -22.733 4.319 -24.424 1.00 0.00 C ATOM 491 CD LYS A 32 -23.598 5.193 -25.336 1.00 0.00 C ATOM 492 CE LYS A 32 -24.975 5.438 -24.715 1.00 0.00 C ATOM 493 NZ LYS A 32 -25.418 6.827 -24.967 1.00 0.00 N ATOM 0 H LYS A 32 -20.405 1.509 -26.109 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.384 3.360 -23.865 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -21.502 3.730 -26.095 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -22.684 2.526 -25.622 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -23.361 3.832 -23.678 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -22.022 4.943 -23.883 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -23.100 6.146 -25.512 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -23.713 4.710 -26.306 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -25.699 4.738 -25.133 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -24.935 5.252 -23.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -26.354 6.976 -24.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -24.736 7.490 -24.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -25.476 6.992 -25.992 1.00 0.00 H new ATOM 507 N GLY A 33 -21.338 2.079 -22.050 1.00 0.00 N ATOM 508 CA GLY A 33 -21.844 1.318 -20.921 1.00 0.00 C ATOM 509 C GLY A 33 -20.820 1.271 -19.787 1.00 0.00 C ATOM 510 O GLY A 33 -21.130 1.625 -18.650 1.00 0.00 O ATOM 0 H GLY A 33 -20.852 2.940 -21.800 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -22.770 1.767 -20.561 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.085 0.304 -21.240 1.00 0.00 H new ATOM 514 N HIS A 34 -19.620 0.831 -20.133 1.00 0.00 N ATOM 515 CA HIS A 34 -18.547 0.732 -19.159 1.00 0.00 C ATOM 516 C HIS A 34 -17.526 1.845 -19.405 1.00 0.00 C ATOM 517 O HIS A 34 -17.447 2.387 -20.506 1.00 0.00 O ATOM 518 CB HIS A 34 -17.920 -0.662 -19.178 1.00 0.00 C ATOM 519 CG HIS A 34 -17.086 -0.944 -20.406 1.00 0.00 C ATOM 520 ND1 HIS A 34 -17.490 -1.817 -21.401 1.00 0.00 N ATOM 521 CD2 HIS A 34 -15.871 -0.459 -20.788 1.00 0.00 C ATOM 522 CE1 HIS A 34 -16.550 -1.849 -22.335 1.00 0.00 C ATOM 523 NE2 HIS A 34 -15.547 -1.007 -21.952 1.00 0.00 N ATOM 0 H HIS A 34 -19.366 0.538 -21.077 1.00 0.00 H new ATOM 0 HA HIS A 34 -18.950 0.870 -18.156 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -17.296 -0.780 -18.292 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -18.713 -1.407 -19.111 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -18.362 -2.346 -21.413 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -15.273 0.251 -20.236 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -16.574 -2.438 -23.240 1.00 0.00 H new ATOM 531 N TRP A 35 -16.768 2.151 -18.362 1.00 0.00 N ATOM 532 CA TRP A 35 -15.755 3.189 -18.452 1.00 0.00 C ATOM 533 C TRP A 35 -14.431 2.525 -18.830 1.00 0.00 C ATOM 534 O TRP A 35 -14.264 1.319 -18.654 1.00 0.00 O ATOM 535 CB TRP A 35 -15.674 3.989 -17.151 1.00 0.00 C ATOM 536 CG TRP A 35 -16.525 5.260 -17.147 1.00 0.00 C ATOM 537 CD1 TRP A 35 -17.783 5.412 -17.580 1.00 0.00 C ATOM 538 CD2 TRP A 35 -16.125 6.562 -16.666 1.00 0.00 C ATOM 539 NE1 TRP A 35 -18.223 6.710 -17.415 1.00 0.00 N ATOM 540 CE2 TRP A 35 -17.182 7.431 -16.842 1.00 0.00 C ATOM 541 CE3 TRP A 35 -14.910 6.989 -16.102 1.00 0.00 C ATOM 542 CZ2 TRP A 35 -17.132 8.782 -16.480 1.00 0.00 C ATOM 543 CZ3 TRP A 35 -14.877 8.343 -15.745 1.00 0.00 C ATOM 544 CH2 TRP A 35 -15.932 9.232 -15.915 1.00 0.00 C ATOM 0 H TRP A 35 -16.835 1.698 -17.450 1.00 0.00 H new ATOM 0 HA TRP A 35 -16.012 3.915 -19.224 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -15.988 3.351 -16.325 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -14.634 4.260 -16.967 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -18.379 4.618 -18.005 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -19.142 7.073 -17.667 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.070 6.326 -15.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -17.974 9.442 -16.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -13.967 8.724 -15.306 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -15.827 10.264 -15.613 1.00 0.00 H new ATOM 555 N ALA A 36 -13.521 3.341 -19.341 1.00 0.00 N ATOM 556 CA ALA A 36 -12.215 2.848 -19.745 1.00 0.00 C ATOM 557 C ALA A 36 -11.511 2.229 -18.536 1.00 0.00 C ATOM 558 O ALA A 36 -10.782 1.248 -18.671 1.00 0.00 O ATOM 559 CB ALA A 36 -11.408 3.988 -20.369 1.00 0.00 C ATOM 0 H ALA A 36 -13.662 4.341 -19.485 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.317 2.070 -20.501 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.429 3.617 -20.672 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.936 4.372 -21.242 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.283 4.788 -19.639 1.00 0.00 H new ATOM 565 N LYS A 37 -11.756 2.828 -17.379 1.00 0.00 N ATOM 566 CA LYS A 37 -11.155 2.348 -16.146 1.00 0.00 C ATOM 567 C LYS A 37 -11.713 0.962 -15.817 1.00 0.00 C ATOM 568 O LYS A 37 -11.214 0.284 -14.922 1.00 0.00 O ATOM 569 CB LYS A 37 -11.346 3.371 -15.024 1.00 0.00 C ATOM 570 CG LYS A 37 -10.442 4.587 -15.231 1.00 0.00 C ATOM 571 CD LYS A 37 -11.270 5.847 -15.493 1.00 0.00 C ATOM 572 CE LYS A 37 -10.418 6.936 -16.148 1.00 0.00 C ATOM 573 NZ LYS A 37 -9.322 7.351 -15.245 1.00 0.00 N ATOM 0 H LYS A 37 -12.362 3.641 -17.270 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.077 2.237 -16.265 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.388 3.689 -14.991 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.124 2.908 -14.063 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.817 4.735 -14.350 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.771 4.407 -16.071 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.115 5.604 -16.138 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.682 6.218 -14.554 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.004 6.567 -17.086 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.042 7.796 -16.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.860 8.200 -15.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.709 7.562 -14.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.626 6.582 -15.168 1.00 0.00 H new ATOM 587 N ASP A 38 -12.744 0.583 -16.560 1.00 0.00 N ATOM 588 CA ASP A 38 -13.376 -0.710 -16.358 1.00 0.00 C ATOM 589 C ASP A 38 -13.509 -1.423 -17.704 1.00 0.00 C ATOM 590 O ASP A 38 -14.418 -2.228 -17.897 1.00 0.00 O ATOM 591 CB ASP A 38 -14.778 -0.552 -15.767 1.00 0.00 C ATOM 592 CG ASP A 38 -15.158 -1.596 -14.716 1.00 0.00 C ATOM 593 OD1 ASP A 38 -15.369 -2.760 -15.124 1.00 0.00 O ATOM 594 OD2 ASP A 38 -15.230 -1.209 -13.530 1.00 0.00 O ATOM 0 H ASP A 38 -13.157 1.148 -17.302 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.757 -1.284 -15.669 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -14.857 0.438 -15.319 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -15.505 -0.594 -16.578 1.00 0.00 H new ATOM 599 N CYS A 39 -12.588 -1.103 -18.602 1.00 0.00 N ATOM 600 CA CYS A 39 -12.591 -1.703 -19.925 1.00 0.00 C ATOM 601 C CYS A 39 -12.076 -3.138 -19.803 1.00 0.00 C ATOM 602 O CYS A 39 -11.044 -3.379 -19.178 1.00 0.00 O ATOM 603 CB CYS A 39 -11.767 -0.883 -20.920 1.00 0.00 C ATOM 604 SG CYS A 39 -12.008 -1.529 -22.615 1.00 0.00 S ATOM 0 H CYS A 39 -11.834 -0.435 -18.439 1.00 0.00 H new ATOM 0 HA CYS A 39 -13.607 -1.715 -20.319 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.065 0.164 -20.875 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.711 -0.926 -20.653 1.00 0.00 H new ATOM 609 N PRO A 40 -12.837 -4.077 -20.426 1.00 0.00 N ATOM 610 CA PRO A 40 -12.468 -5.482 -20.393 1.00 0.00 C ATOM 611 C PRO A 40 -11.293 -5.762 -21.331 1.00 0.00 C ATOM 612 O PRO A 40 -10.842 -6.901 -21.444 1.00 0.00 O ATOM 613 CB PRO A 40 -13.732 -6.230 -20.783 1.00 0.00 C ATOM 614 CG PRO A 40 -14.625 -5.209 -21.469 1.00 0.00 C ATOM 615 CD PRO A 40 -14.065 -3.827 -21.175 1.00 0.00 C ATOM 0 HA PRO A 40 -12.119 -5.803 -19.411 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -13.504 -7.061 -21.451 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -14.223 -6.652 -19.906 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -14.654 -5.388 -22.544 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -15.649 -5.291 -21.104 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -13.863 -3.278 -22.095 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -14.768 -3.230 -20.595 1.00 0.00 H new ATOM 623 N LYS A 41 -10.830 -4.704 -21.980 1.00 0.00 N ATOM 624 CA LYS A 41 -9.715 -4.822 -22.905 1.00 0.00 C ATOM 625 C LYS A 41 -8.404 -4.594 -22.149 1.00 0.00 C ATOM 626 O LYS A 41 -7.340 -5.007 -22.607 1.00 0.00 O ATOM 627 CB LYS A 41 -9.908 -3.885 -24.099 1.00 0.00 C ATOM 628 CG LYS A 41 -9.607 -4.604 -25.415 1.00 0.00 C ATOM 629 CD LYS A 41 -9.159 -3.614 -26.491 1.00 0.00 C ATOM 630 CE LYS A 41 -7.728 -3.909 -26.947 1.00 0.00 C ATOM 631 NZ LYS A 41 -7.700 -5.098 -27.828 1.00 0.00 N ATOM 0 H LYS A 41 -11.206 -3.761 -21.884 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.671 -5.828 -23.323 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.932 -3.511 -24.111 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.254 -3.019 -23.996 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.829 -5.350 -25.256 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.495 -5.137 -25.754 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.835 -3.669 -27.344 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.218 -2.597 -26.102 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.324 -3.047 -27.477 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.091 -4.077 -26.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.085 -4.910 -28.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.332 -5.914 -27.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.663 -5.307 -28.160 1.00 0.00 H new ATOM 645 N LYS A 42 -8.525 -3.937 -21.005 1.00 0.00 N ATOM 646 CA LYS A 42 -7.362 -3.648 -20.182 1.00 0.00 C ATOM 647 C LYS A 42 -6.565 -4.936 -19.966 1.00 0.00 C ATOM 648 O LYS A 42 -6.984 -5.811 -19.210 1.00 0.00 O ATOM 649 CB LYS A 42 -7.785 -2.961 -18.882 1.00 0.00 C ATOM 650 CG LYS A 42 -7.759 -1.439 -19.034 1.00 0.00 C ATOM 651 CD LYS A 42 -8.003 -0.749 -17.691 1.00 0.00 C ATOM 652 CE LYS A 42 -7.167 0.526 -17.568 1.00 0.00 C ATOM 653 NZ LYS A 42 -8.040 1.697 -17.326 1.00 0.00 N ATOM 0 H LYS A 42 -9.410 -3.597 -20.628 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.701 -2.944 -20.687 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.788 -3.285 -18.604 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.118 -3.261 -18.074 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.796 -1.127 -19.437 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.520 -1.129 -19.750 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.061 -0.505 -17.591 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.754 -1.431 -16.878 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.453 0.422 -16.751 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.589 0.678 -18.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.617 2.541 -17.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.976 1.524 -17.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.141 1.849 -16.302 1.00 0.00 H new ATOM 667 N PRO A 43 -5.398 -5.012 -20.661 1.00 0.00 N ATOM 668 CA PRO A 43 -4.537 -6.178 -20.552 1.00 0.00 C ATOM 669 C PRO A 43 -3.784 -6.181 -19.220 1.00 0.00 C ATOM 670 O PRO A 43 -2.836 -5.420 -19.038 1.00 0.00 O ATOM 671 CB PRO A 43 -3.614 -6.098 -21.757 1.00 0.00 C ATOM 672 CG PRO A 43 -3.678 -4.658 -22.237 1.00 0.00 C ATOM 673 CD PRO A 43 -4.870 -3.995 -21.565 1.00 0.00 C ATOM 0 HA PRO A 43 -5.094 -7.115 -20.555 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.595 -6.375 -21.487 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.934 -6.785 -22.540 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.757 -4.131 -21.987 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.782 -4.621 -23.321 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.570 -3.099 -21.021 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -5.618 -3.689 -22.297 1.00 0.00 H new ATOM 681 N ARG A 44 -4.236 -7.047 -18.324 1.00 0.00 N ATOM 682 CA ARG A 44 -3.616 -7.158 -17.015 1.00 0.00 C ATOM 683 C ARG A 44 -2.094 -7.227 -17.151 1.00 0.00 C ATOM 684 O ARG A 44 -1.576 -7.911 -18.032 1.00 0.00 O ATOM 685 CB ARG A 44 -4.111 -8.404 -16.275 1.00 0.00 C ATOM 686 CG ARG A 44 -4.244 -8.135 -14.775 1.00 0.00 C ATOM 687 CD ARG A 44 -3.437 -9.148 -13.963 1.00 0.00 C ATOM 688 NE ARG A 44 -4.349 -10.090 -13.276 1.00 0.00 N ATOM 689 CZ ARG A 44 -4.841 -11.204 -13.837 1.00 0.00 C ATOM 690 NH1 ARG A 44 -4.510 -11.523 -15.096 1.00 0.00 N ATOM 691 NH2 ARG A 44 -5.663 -11.998 -13.139 1.00 0.00 N ATOM 0 H ARG A 44 -5.023 -7.677 -18.479 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.893 -6.273 -16.442 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.075 -8.712 -16.680 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.418 -9.229 -16.440 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.898 -7.126 -14.551 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.293 -8.184 -14.485 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.762 -9.697 -14.619 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.818 -8.629 -13.231 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.620 -9.878 -12.316 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.884 -10.918 -15.627 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.884 -12.371 -15.523 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.915 -11.755 -12.181 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.037 -12.845 -13.566 1.00 0.00 H new ATOM 705 N GLY A 45 -1.420 -6.508 -16.265 1.00 0.00 N ATOM 706 CA GLY A 45 0.034 -6.479 -16.276 1.00 0.00 C ATOM 707 C GLY A 45 0.612 -7.883 -16.091 1.00 0.00 C ATOM 708 O GLY A 45 -0.130 -8.841 -15.883 1.00 0.00 O ATOM 0 H GLY A 45 -1.853 -5.942 -15.535 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.386 -6.058 -17.218 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.394 -5.826 -15.481 1.00 0.00 H new ATOM 712 N PRO A 46 1.966 -7.962 -16.177 1.00 0.00 N ATOM 713 CA PRO A 46 2.771 -6.778 -16.426 1.00 0.00 C ATOM 714 C PRO A 46 2.670 -6.344 -17.891 1.00 0.00 C ATOM 715 O PRO A 46 2.733 -7.176 -18.794 1.00 0.00 O ATOM 716 CB PRO A 46 4.183 -7.168 -16.020 1.00 0.00 C ATOM 717 CG PRO A 46 4.205 -8.688 -15.998 1.00 0.00 C ATOM 718 CD PRO A 46 2.766 -9.176 -16.039 1.00 0.00 C ATOM 0 HA PRO A 46 2.432 -5.913 -15.857 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.915 -6.777 -16.727 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.435 -6.759 -15.041 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.763 -9.074 -16.851 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.705 -9.050 -15.100 1.00 0.00 H new ATOM 0 HD2 PRO A 46 2.602 -9.855 -16.875 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.506 -9.720 -15.131 1.00 0.00 H new ATOM 726 N ARG A 47 2.515 -5.042 -18.079 1.00 0.00 N ATOM 727 CA ARG A 47 2.403 -4.487 -19.418 1.00 0.00 C ATOM 728 C ARG A 47 2.879 -3.033 -19.431 1.00 0.00 C ATOM 729 O ARG A 47 2.710 -2.312 -18.448 1.00 0.00 O ATOM 730 CB ARG A 47 0.960 -4.549 -19.921 1.00 0.00 C ATOM 731 CG ARG A 47 0.908 -4.454 -21.447 1.00 0.00 C ATOM 732 CD ARG A 47 0.377 -5.752 -22.060 1.00 0.00 C ATOM 733 NE ARG A 47 1.196 -6.130 -23.233 1.00 0.00 N ATOM 734 CZ ARG A 47 2.372 -6.766 -23.155 1.00 0.00 C ATOM 735 NH1 ARG A 47 2.875 -7.101 -21.958 1.00 0.00 N ATOM 736 NH2 ARG A 47 3.046 -7.070 -24.273 1.00 0.00 N ATOM 0 H ARG A 47 2.464 -4.355 -17.327 1.00 0.00 H new ATOM 0 HA ARG A 47 3.031 -5.085 -20.078 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.497 -5.480 -19.595 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.383 -3.735 -19.482 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.270 -3.621 -21.741 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.905 -4.245 -21.836 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.400 -6.550 -21.318 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.663 -5.624 -22.359 1.00 0.00 H new ATOM 0 HE ARG A 47 0.843 -5.891 -24.159 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.362 -6.871 -21.107 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.771 -7.585 -21.899 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.663 -6.817 -25.184 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.942 -7.554 -24.213 1.00 0.00 H new ATOM 750 N GLY A 48 3.465 -2.646 -20.554 1.00 0.00 N ATOM 751 CA GLY A 48 3.967 -1.291 -20.708 1.00 0.00 C ATOM 752 C GLY A 48 4.145 -0.938 -22.186 1.00 0.00 C ATOM 753 O GLY A 48 4.265 -1.823 -23.030 1.00 0.00 O ATOM 0 H GLY A 48 3.604 -3.247 -21.366 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.276 -0.588 -20.243 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.920 -1.191 -20.189 1.00 0.00 H new ATOM 757 N PRO A 49 4.157 0.395 -22.461 1.00 0.00 N ATOM 758 CA PRO A 49 4.319 0.876 -23.822 1.00 0.00 C ATOM 759 C PRO A 49 5.769 0.732 -24.285 1.00 0.00 C ATOM 760 O PRO A 49 6.694 0.816 -23.479 1.00 0.00 O ATOM 761 CB PRO A 49 3.847 2.321 -23.786 1.00 0.00 C ATOM 762 CG PRO A 49 3.878 2.733 -22.323 1.00 0.00 C ATOM 763 CD PRO A 49 4.018 1.473 -21.486 1.00 0.00 C ATOM 0 HA PRO A 49 3.741 0.300 -24.544 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.496 2.959 -24.385 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.842 2.414 -24.197 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.711 3.410 -22.135 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.966 3.268 -22.058 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.886 1.528 -20.830 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.146 1.321 -20.849 1.00 0.00 H new ATOM 771 N ARG A 50 5.923 0.520 -25.585 1.00 0.00 N ATOM 772 CA ARG A 50 7.246 0.363 -26.165 1.00 0.00 C ATOM 773 C ARG A 50 7.379 1.226 -27.421 1.00 0.00 C ATOM 774 O ARG A 50 6.398 1.457 -28.128 1.00 0.00 O ATOM 775 CB ARG A 50 7.520 -1.098 -26.528 1.00 0.00 C ATOM 776 CG ARG A 50 8.076 -1.865 -25.327 1.00 0.00 C ATOM 777 CD ARG A 50 7.833 -3.368 -25.476 1.00 0.00 C ATOM 778 NE ARG A 50 6.382 -3.652 -25.431 1.00 0.00 N ATOM 779 CZ ARG A 50 5.814 -4.744 -25.961 1.00 0.00 C ATOM 780 NH1 ARG A 50 6.571 -5.662 -26.577 1.00 0.00 N ATOM 781 NH2 ARG A 50 4.488 -4.920 -25.873 1.00 0.00 N ATOM 0 H ARG A 50 5.154 0.453 -26.252 1.00 0.00 H new ATOM 0 HA ARG A 50 7.975 0.682 -25.420 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.600 -1.570 -26.871 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.229 -1.145 -27.354 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.145 -1.674 -25.232 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.605 -1.506 -24.412 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.252 -3.721 -26.418 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.343 -3.908 -24.678 1.00 0.00 H new ATOM 0 HE ARG A 50 5.776 -2.975 -24.968 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.580 -5.530 -26.643 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.138 -6.493 -26.980 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.911 -4.223 -25.403 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.056 -5.751 -26.277 1.00 0.00 H new ATOM 795 N PRO A 51 8.633 1.692 -27.669 1.00 0.00 N ATOM 796 CA PRO A 51 8.906 2.524 -28.829 1.00 0.00 C ATOM 797 C PRO A 51 8.926 1.690 -30.111 1.00 0.00 C ATOM 798 O PRO A 51 8.227 2.006 -31.072 1.00 0.00 O ATOM 799 CB PRO A 51 10.242 3.186 -28.530 1.00 0.00 C ATOM 800 CG PRO A 51 10.886 2.352 -27.436 1.00 0.00 C ATOM 801 CD PRO A 51 9.818 1.440 -26.855 1.00 0.00 C ATOM 0 HA PRO A 51 8.133 3.273 -29.001 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.871 3.215 -29.420 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.103 4.217 -28.204 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.711 1.765 -27.839 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.302 2.995 -26.660 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.119 0.394 -26.907 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.633 1.666 -25.805 1.00 0.00 H new ATOM 809 N GLN A 52 9.734 0.641 -30.083 1.00 0.00 N ATOM 810 CA GLN A 52 9.854 -0.241 -31.231 1.00 0.00 C ATOM 811 C GLN A 52 10.466 0.509 -32.416 1.00 0.00 C ATOM 812 O GLN A 52 9.743 1.030 -33.265 1.00 0.00 O ATOM 813 CB GLN A 52 8.498 -0.844 -31.604 1.00 0.00 C ATOM 814 CG GLN A 52 8.673 -2.103 -32.456 1.00 0.00 C ATOM 815 CD GLN A 52 9.136 -3.283 -31.599 1.00 0.00 C ATOM 816 OE1 GLN A 52 8.956 -3.318 -30.392 1.00 0.00 O ATOM 817 NE2 GLN A 52 9.741 -4.248 -32.287 1.00 0.00 N ATOM 0 H GLN A 52 10.312 0.382 -29.284 1.00 0.00 H new ATOM 0 HA GLN A 52 10.519 -1.063 -30.965 1.00 0.00 H new ATOM 0 HB2 GLN A 52 7.943 -1.088 -30.698 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.908 -0.109 -32.151 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.730 -2.351 -32.944 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.400 -1.914 -33.245 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.860 -4.157 -33.296 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.086 -5.078 -31.805 1.00 0.00 H new ATOM 826 N THR A 53 11.790 0.541 -32.436 1.00 0.00 N ATOM 827 CA THR A 53 12.506 1.219 -33.502 1.00 0.00 C ATOM 828 C THR A 53 13.857 0.544 -33.752 1.00 0.00 C ATOM 829 O THR A 53 14.647 0.368 -32.826 1.00 0.00 O ATOM 830 CB THR A 53 12.627 2.698 -33.126 1.00 0.00 C ATOM 831 OG1 THR A 53 13.289 3.287 -34.241 1.00 0.00 O ATOM 832 CG2 THR A 53 13.587 2.928 -31.957 1.00 0.00 C ATOM 0 H THR A 53 12.386 0.108 -31.730 1.00 0.00 H new ATOM 0 HA THR A 53 11.964 1.152 -34.446 1.00 0.00 H new ATOM 0 HB THR A 53 11.642 3.089 -32.869 1.00 0.00 H new ATOM 0 HG1 THR A 53 13.407 4.247 -34.082 1.00 0.00 H new ATOM 0 HG21 THR A 53 13.636 3.993 -31.731 1.00 0.00 H new ATOM 0 HG22 THR A 53 13.229 2.387 -31.081 1.00 0.00 H new ATOM 0 HG23 THR A 53 14.580 2.568 -32.225 1.00 0.00 H new ATOM 840 N SER A 54 14.080 0.184 -35.007 1.00 0.00 N ATOM 841 CA SER A 54 15.320 -0.468 -35.390 1.00 0.00 C ATOM 842 C SER A 54 16.478 0.530 -35.322 1.00 0.00 C ATOM 843 O SER A 54 16.822 1.156 -36.323 1.00 0.00 O ATOM 844 CB SER A 54 15.217 -1.067 -36.794 1.00 0.00 C ATOM 845 OG SER A 54 15.778 -2.375 -36.858 1.00 0.00 O ATOM 0 H SER A 54 13.422 0.332 -35.772 1.00 0.00 H new ATOM 0 HA SER A 54 15.509 -1.282 -34.690 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.170 -1.106 -37.096 1.00 0.00 H new ATOM 0 HB3 SER A 54 15.729 -0.418 -37.504 1.00 0.00 H new ATOM 0 HG SER A 54 15.691 -2.724 -37.770 1.00 0.00 H new ATOM 851 N LEU A 55 17.047 0.647 -34.131 1.00 0.00 N ATOM 852 CA LEU A 55 18.159 1.558 -33.919 1.00 0.00 C ATOM 853 C LEU A 55 19.337 0.788 -33.319 1.00 0.00 C ATOM 854 O LEU A 55 19.600 0.884 -32.121 1.00 0.00 O ATOM 855 CB LEU A 55 17.717 2.758 -33.080 1.00 0.00 C ATOM 856 CG LEU A 55 18.831 3.699 -32.616 1.00 0.00 C ATOM 857 CD1 LEU A 55 19.219 4.678 -33.725 1.00 0.00 C ATOM 858 CD2 LEU A 55 18.436 4.421 -31.326 1.00 0.00 C ATOM 0 H LEU A 55 16.759 0.126 -33.303 1.00 0.00 H new ATOM 0 HA LEU A 55 18.499 1.971 -34.869 1.00 0.00 H new ATOM 0 HB2 LEU A 55 16.998 3.337 -33.660 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.192 2.387 -32.200 1.00 0.00 H new ATOM 0 HG LEU A 55 19.714 3.100 -32.393 1.00 0.00 H new ATOM 0 HD11 LEU A 55 20.012 5.335 -33.369 1.00 0.00 H new ATOM 0 HD12 LEU A 55 19.571 4.122 -34.594 1.00 0.00 H new ATOM 0 HD13 LEU A 55 18.351 5.275 -34.003 1.00 0.00 H new ATOM 0 HD21 LEU A 55 19.245 5.083 -31.018 1.00 0.00 H new ATOM 0 HD22 LEU A 55 17.533 5.007 -31.499 1.00 0.00 H new ATOM 0 HD23 LEU A 55 18.248 3.688 -30.542 1.00 0.00 H new ATOM 870 N LEU A 56 20.014 0.040 -34.178 1.00 0.00 N ATOM 871 CA LEU A 56 21.157 -0.746 -33.747 1.00 0.00 C ATOM 872 C LEU A 56 20.853 -1.379 -32.387 1.00 0.00 C ATOM 873 O LEU A 56 21.381 -0.946 -31.365 1.00 0.00 O ATOM 874 CB LEU A 56 22.428 0.105 -33.758 1.00 0.00 C ATOM 875 CG LEU A 56 23.747 -0.660 -33.887 1.00 0.00 C ATOM 876 CD1 LEU A 56 24.700 0.051 -34.850 1.00 0.00 C ATOM 877 CD2 LEU A 56 24.384 -0.891 -32.515 1.00 0.00 C ATOM 0 H LEU A 56 19.793 -0.038 -35.171 1.00 0.00 H new ATOM 0 HA LEU A 56 21.342 -1.563 -34.445 1.00 0.00 H new ATOM 0 HB2 LEU A 56 22.360 0.814 -34.583 1.00 0.00 H new ATOM 0 HB3 LEU A 56 22.458 0.689 -32.838 1.00 0.00 H new ATOM 0 HG LEU A 56 23.533 -1.641 -34.311 1.00 0.00 H new ATOM 0 HD11 LEU A 56 25.630 -0.513 -34.924 1.00 0.00 H new ATOM 0 HD12 LEU A 56 24.238 0.120 -35.835 1.00 0.00 H new ATOM 0 HD13 LEU A 56 24.912 1.053 -34.478 1.00 0.00 H new ATOM 0 HD21 LEU A 56 25.320 -1.437 -32.636 1.00 0.00 H new ATOM 0 HD22 LEU A 56 24.583 0.070 -32.040 1.00 0.00 H new ATOM 0 HD23 LEU A 56 23.704 -1.471 -31.891 1.00 0.00 H new TER 889 LEU A 56 ATOM 890 P U B 517 -4.568 -3.498 -28.946 1.00 0.00 P ATOM 891 OP1 U B 517 -5.997 -3.439 -29.330 1.00 0.00 O ATOM 892 OP2 U B 517 -3.692 -4.408 -29.717 1.00 0.00 O ATOM 893 O5' U B 517 -3.966 -2.019 -29.056 1.00 0.00 O ATOM 894 C5' U B 517 -2.561 -1.812 -28.932 1.00 0.00 C ATOM 895 C4' U B 517 -2.237 -0.343 -29.096 1.00 0.00 C ATOM 896 O4' U B 517 -2.186 -0.034 -30.535 1.00 0.00 O ATOM 897 C3' U B 517 -3.303 0.603 -28.552 1.00 0.00 C ATOM 898 O3' U B 517 -2.779 1.312 -27.431 1.00 0.00 O ATOM 899 C2' U B 517 -3.629 1.531 -29.688 1.00 0.00 C ATOM 900 O2' U B 517 -2.687 2.567 -29.523 1.00 0.00 O ATOM 901 C1' U B 517 -3.389 0.612 -30.883 1.00 0.00 C ATOM 902 N1 U B 517 -4.476 -0.366 -31.102 1.00 0.00 N ATOM 903 C2 U B 517 -4.101 -1.590 -31.563 1.00 0.00 C ATOM 904 O2 U B 517 -2.944 -1.903 -31.794 1.00 0.00 O ATOM 905 N3 U B 517 -5.113 -2.503 -31.768 1.00 0.00 N ATOM 906 C4 U B 517 -6.437 -2.234 -31.532 1.00 0.00 C ATOM 907 O4 U B 517 -7.255 -3.126 -31.751 1.00 0.00 O ATOM 908 C5 U B 517 -6.773 -0.940 -31.053 1.00 0.00 C ATOM 909 C6 U B 517 -5.777 -0.072 -30.861 1.00 0.00 C ATOM 0 H5' U B 517 -2.031 -2.396 -29.685 1.00 0.00 H new ATOM 0 H5'' U B 517 -2.218 -2.162 -27.958 1.00 0.00 H new ATOM 0 H4' U B 517 -1.304 -0.193 -28.552 1.00 0.00 H new ATOM 0 H3' U B 517 -4.197 0.082 -28.208 1.00 0.00 H new ATOM 0 H2' U B 517 -4.614 1.989 -29.773 1.00 0.00 H new ATOM 0 HO2' U B 517 -2.163 2.407 -28.710 1.00 0.00 H new ATOM 0 H1' U B 517 -3.348 1.164 -31.822 1.00 0.00 H new ATOM 0 H3 U B 517 -4.864 -3.429 -32.114 1.00 0.00 H new ATOM 0 H5 U B 517 -7.798 -0.668 -30.851 1.00 0.00 H new ATOM 0 H6 U B 517 -6.020 0.915 -30.495 1.00 0.00 H new ATOM 920 P U B 518 -3.747 2.216 -26.533 1.00 0.00 P ATOM 921 OP1 U B 518 -2.973 3.315 -25.915 1.00 0.00 O ATOM 922 OP2 U B 518 -4.543 1.352 -25.632 1.00 0.00 O ATOM 923 O5' U B 518 -4.743 2.856 -27.609 1.00 0.00 O ATOM 924 C5' U B 518 -4.656 4.245 -27.924 1.00 0.00 C ATOM 925 C4' U B 518 -6.032 4.800 -28.213 1.00 0.00 C ATOM 926 O4' U B 518 -6.629 3.774 -29.065 1.00 0.00 O ATOM 927 C3' U B 518 -7.044 4.591 -27.091 1.00 0.00 C ATOM 928 O3' U B 518 -6.994 5.699 -26.195 1.00 0.00 O ATOM 929 C2' U B 518 -8.380 4.494 -27.774 1.00 0.00 C ATOM 930 O2' U B 518 -8.669 5.838 -28.083 1.00 0.00 O ATOM 931 C1' U B 518 -8.025 3.609 -28.965 1.00 0.00 C ATOM 932 N1 U B 518 -8.381 2.187 -28.770 1.00 0.00 N ATOM 933 C2 U B 518 -9.581 1.791 -29.278 1.00 0.00 C ATOM 934 O2 U B 518 -10.348 2.538 -29.866 1.00 0.00 O ATOM 935 N3 U B 518 -9.915 0.467 -29.098 1.00 0.00 N ATOM 936 C4 U B 518 -9.112 -0.437 -28.450 1.00 0.00 C ATOM 937 O4 U B 518 -9.513 -1.595 -28.347 1.00 0.00 O ATOM 938 C5 U B 518 -7.871 0.029 -27.939 1.00 0.00 C ATOM 939 C6 U B 518 -7.567 1.316 -28.125 1.00 0.00 C ATOM 0 H5' U B 518 -4.008 4.390 -28.789 1.00 0.00 H new ATOM 0 H5'' U B 518 -4.204 4.787 -27.093 1.00 0.00 H new ATOM 0 H4' U B 518 -5.893 5.840 -28.509 1.00 0.00 H new ATOM 0 H3' U B 518 -6.844 3.697 -26.500 1.00 0.00 H new ATOM 0 H2' U B 518 -9.246 4.080 -27.258 1.00 0.00 H new ATOM 0 HO2' U B 518 -8.297 6.421 -27.388 1.00 0.00 H new ATOM 0 H1' U B 518 -8.576 3.891 -29.862 1.00 0.00 H new ATOM 0 H3 U B 518 -10.808 0.141 -29.467 1.00 0.00 H new ATOM 0 H5 U B 518 -7.197 -0.635 -27.418 1.00 0.00 H new ATOM 0 H6 U B 518 -6.625 1.681 -27.742 1.00 0.00 H new ATOM 950 P U B 519 -5.783 5.835 -25.158 1.00 0.00 P ATOM 951 OP1 U B 519 -4.997 7.050 -25.467 1.00 0.00 O ATOM 952 OP2 U B 519 -5.053 4.551 -25.073 1.00 0.00 O ATOM 953 O5' U B 519 -6.530 6.072 -23.762 1.00 0.00 O ATOM 954 C5' U B 519 -7.703 6.881 -23.710 1.00 0.00 C ATOM 955 C4' U B 519 -8.406 6.692 -22.384 1.00 0.00 C ATOM 956 O4' U B 519 -8.170 5.334 -21.908 1.00 0.00 O ATOM 957 C3' U B 519 -7.724 7.381 -21.205 1.00 0.00 C ATOM 958 O3' U B 519 -8.172 8.733 -21.123 1.00 0.00 O ATOM 959 C2' U B 519 -8.130 6.590 -19.994 1.00 0.00 C ATOM 960 O2' U B 519 -9.455 7.019 -19.772 1.00 0.00 O ATOM 961 C1' U B 519 -7.981 5.166 -20.522 1.00 0.00 C ATOM 962 N1 U B 519 -6.663 4.565 -20.230 1.00 0.00 N ATOM 963 C2 U B 519 -6.416 4.252 -18.928 1.00 0.00 C ATOM 964 O2 U B 519 -7.213 4.443 -18.024 1.00 0.00 O ATOM 965 N3 U B 519 -5.188 3.691 -18.655 1.00 0.00 N ATOM 966 C4 U B 519 -4.237 3.444 -19.612 1.00 0.00 C ATOM 967 O4 U B 519 -3.175 2.939 -19.253 1.00 0.00 O ATOM 968 C5 U B 519 -4.546 3.789 -20.955 1.00 0.00 C ATOM 969 C6 U B 519 -5.742 4.331 -21.197 1.00 0.00 C ATOM 0 H5' U B 519 -8.374 6.616 -24.527 1.00 0.00 H new ATOM 0 H5'' U B 519 -7.437 7.930 -23.843 1.00 0.00 H new ATOM 0 H4' U B 519 -9.421 7.028 -22.594 1.00 0.00 H new ATOM 0 H3' U B 519 -6.639 7.413 -21.301 1.00 0.00 H new ATOM 0 H2' U B 519 -7.589 6.687 -19.053 1.00 0.00 H new ATOM 0 HO2' U B 519 -9.614 7.855 -20.258 1.00 0.00 H new ATOM 0 H1' U B 519 -8.684 4.478 -20.053 1.00 0.00 H new ATOM 0 H3 U B 519 -4.974 3.446 -17.688 1.00 0.00 H new ATOM 0 H5 U B 519 -3.838 3.619 -21.753 1.00 0.00 H new ATOM 0 H6 U B 519 -5.988 4.596 -22.215 1.00 0.00 H new ATOM 980 P U B 520 -7.565 9.710 -20.010 1.00 0.00 P ATOM 981 OP1 U B 520 -6.556 8.985 -19.208 1.00 0.00 O ATOM 982 OP2 U B 520 -8.666 10.380 -19.282 1.00 0.00 O ATOM 983 O5' U B 520 -6.804 10.816 -20.881 1.00 0.00 O ATOM 984 C5' U B 520 -5.997 11.799 -20.237 1.00 0.00 C ATOM 985 C4' U B 520 -6.624 13.167 -20.388 1.00 0.00 C ATOM 986 O4' U B 520 -7.576 13.098 -21.494 1.00 0.00 O ATOM 987 C3' U B 520 -7.766 13.448 -19.417 1.00 0.00 C ATOM 988 O3' U B 520 -7.229 13.817 -18.148 1.00 0.00 O ATOM 989 C2' U B 520 -8.545 14.575 -20.036 1.00 0.00 C ATOM 990 O2' U B 520 -7.829 15.715 -19.613 1.00 0.00 O ATOM 991 C1' U B 520 -8.415 14.230 -21.517 1.00 0.00 C ATOM 992 N1 U B 520 -9.707 13.925 -22.166 1.00 0.00 N ATOM 993 C2 U B 520 -10.431 14.991 -22.602 1.00 0.00 C ATOM 994 O2 U B 520 -10.067 16.151 -22.482 1.00 0.00 O ATOM 995 N3 U B 520 -11.635 14.709 -23.207 1.00 0.00 N ATOM 996 C4 U B 520 -12.116 13.435 -23.381 1.00 0.00 C ATOM 997 O4 U B 520 -13.207 13.301 -23.936 1.00 0.00 O ATOM 998 C5 U B 520 -11.321 12.358 -22.908 1.00 0.00 C ATOM 999 C6 U B 520 -10.158 12.655 -22.324 1.00 0.00 C ATOM 0 H5' U B 520 -4.996 11.799 -20.669 1.00 0.00 H new ATOM 0 H5'' U B 520 -5.887 11.555 -19.180 1.00 0.00 H new ATOM 0 H4' U B 520 -5.764 13.836 -20.370 1.00 0.00 H new ATOM 0 H3' U B 520 -8.405 12.581 -19.250 1.00 0.00 H new ATOM 0 H2' U B 520 -9.595 14.734 -19.791 1.00 0.00 H new ATOM 0 HO2' U B 520 -7.188 15.459 -18.918 1.00 0.00 H new ATOM 0 H1' U B 520 -8.027 15.065 -22.100 1.00 0.00 H new ATOM 0 H3 U B 520 -12.200 15.488 -23.544 1.00 0.00 H new ATOM 0 H5 U B 520 -11.646 11.334 -23.017 1.00 0.00 H new ATOM 0 H6 U B 520 -9.545 11.844 -21.959 1.00 0.00 H new ATOM 1010 P G B 521 -8.194 13.944 -16.878 1.00 0.00 P ATOM 1011 OP1 G B 521 -7.926 15.218 -16.173 1.00 0.00 O ATOM 1012 OP2 G B 521 -8.134 12.698 -16.081 1.00 0.00 O ATOM 1013 O5' G B 521 -9.648 14.040 -17.537 1.00 0.00 O ATOM 1014 C5' G B 521 -10.385 12.851 -17.817 1.00 0.00 C ATOM 1015 C4' G B 521 -11.829 13.027 -17.406 1.00 0.00 C ATOM 1016 O4' G B 521 -12.605 12.543 -18.544 1.00 0.00 O ATOM 1017 C3' G B 521 -12.308 12.040 -16.346 1.00 0.00 C ATOM 1018 O3' G B 521 -12.251 12.660 -15.061 1.00 0.00 O ATOM 1019 C2' G B 521 -13.719 11.696 -16.730 1.00 0.00 C ATOM 1020 O2' G B 521 -14.445 12.819 -16.284 1.00 0.00 O ATOM 1021 C1' G B 521 -13.577 11.566 -18.245 1.00 0.00 C ATOM 1022 N9 G B 521 -13.138 10.225 -18.683 1.00 0.00 N ATOM 1023 C8 G B 521 -11.896 9.702 -18.604 1.00 0.00 C ATOM 1024 N7 G B 521 -11.828 8.466 -19.086 1.00 0.00 N ATOM 1025 C5 G B 521 -13.109 8.201 -19.491 1.00 0.00 C ATOM 1026 C6 G B 521 -13.683 7.057 -20.086 1.00 0.00 C ATOM 1027 O6 G B 521 -13.083 6.020 -20.363 1.00 0.00 O ATOM 1028 N1 G B 521 -15.012 7.103 -20.376 1.00 0.00 N ATOM 1029 C2 G B 521 -15.698 8.230 -20.082 1.00 0.00 C ATOM 1030 N2 G B 521 -16.979 8.120 -20.425 1.00 0.00 N ATOM 1031 N3 G B 521 -15.256 9.370 -19.520 1.00 0.00 N ATOM 1032 C4 G B 521 -13.925 9.261 -19.254 1.00 0.00 C ATOM 0 H5' G B 521 -9.947 12.008 -17.283 1.00 0.00 H new ATOM 0 H5'' G B 521 -10.327 12.620 -18.881 1.00 0.00 H new ATOM 0 H4' G B 521 -11.932 14.059 -17.070 1.00 0.00 H new ATOM 0 H3' G B 521 -11.692 11.143 -16.293 1.00 0.00 H new ATOM 0 H2' G B 521 -14.208 10.807 -16.333 1.00 0.00 H new ATOM 0 HO2' G B 521 -13.938 13.279 -15.582 1.00 0.00 H new ATOM 0 H1' G B 521 -14.528 11.704 -18.760 1.00 0.00 H new ATOM 0 H8 G B 521 -11.049 10.231 -18.193 1.00 0.00 H new ATOM 0 H1 G B 521 -15.480 6.305 -20.806 1.00 0.00 H new ATOM 0 H21 G B 521 -17.619 8.897 -20.261 1.00 0.00 H new ATOM 0 H22 G B 521 -17.321 7.259 -20.852 1.00 0.00 H new ATOM 1044 P C B 522 -10.992 12.409 -14.107 1.00 0.00 P ATOM 1045 OP1 C B 522 -10.092 11.408 -14.723 1.00 0.00 O ATOM 1046 OP2 C B 522 -11.458 12.149 -12.726 1.00 0.00 O ATOM 1047 O5' C B 522 -10.244 13.823 -14.119 1.00 0.00 O ATOM 1048 C5' C B 522 -9.081 14.021 -13.317 1.00 0.00 C ATOM 1049 C4' C B 522 -9.388 14.973 -12.183 1.00 0.00 C ATOM 1050 O4' C B 522 -10.672 15.545 -12.500 1.00 0.00 O ATOM 1051 C3' C B 522 -9.943 14.303 -10.930 1.00 0.00 C ATOM 1052 O3' C B 522 -8.864 13.818 -10.135 1.00 0.00 O ATOM 1053 C2' C B 522 -10.716 15.377 -10.216 1.00 0.00 C ATOM 1054 O2' C B 522 -9.704 16.086 -9.536 1.00 0.00 O ATOM 1055 C1' C B 522 -11.348 16.107 -11.398 1.00 0.00 C ATOM 1056 N1 C B 522 -12.807 15.902 -11.505 1.00 0.00 N ATOM 1057 C2 C B 522 -13.640 16.915 -11.029 1.00 0.00 C ATOM 1058 O2 C B 522 -13.123 17.927 -10.545 1.00 0.00 O ATOM 1059 N3 C B 522 -14.972 16.752 -11.117 1.00 0.00 N ATOM 1060 C4 C B 522 -15.507 15.665 -11.637 1.00 0.00 C ATOM 1061 N4 C B 522 -16.824 15.524 -11.712 1.00 0.00 N ATOM 1062 C5 C B 522 -14.666 14.602 -12.136 1.00 0.00 C ATOM 1063 C6 C B 522 -13.340 14.778 -12.043 1.00 0.00 C ATOM 0 H5' C B 522 -8.272 14.420 -13.928 1.00 0.00 H new ATOM 0 H5'' C B 522 -8.738 13.066 -12.918 1.00 0.00 H new ATOM 0 H4' C B 522 -8.476 15.556 -12.054 1.00 0.00 H new ATOM 0 H3' C B 522 -10.581 13.448 -11.152 1.00 0.00 H new ATOM 0 H2' C B 522 -11.489 15.125 -9.490 1.00 0.00 H new ATOM 0 HO2' C B 522 -8.918 15.511 -9.428 1.00 0.00 H new ATOM 0 H1' C B 522 -11.248 17.189 -11.313 1.00 0.00 H new ATOM 0 H41 C B 522 -17.224 14.678 -12.117 1.00 0.00 H new ATOM 0 H42 C B 522 -17.436 16.262 -11.365 1.00 0.00 H new ATOM 0 H5 C B 522 -15.087 13.705 -12.565 1.00 0.00 H new ATOM 0 H6 C B 522 -12.680 14.004 -12.406 1.00 0.00 H new ATOM 1075 P U B 523 -9.058 12.508 -9.237 1.00 0.00 P ATOM 1076 OP1 U B 523 -10.385 11.910 -9.508 1.00 0.00 O ATOM 1077 OP2 U B 523 -8.723 12.815 -7.828 1.00 0.00 O ATOM 1078 O5' U B 523 -7.942 11.513 -9.805 1.00 0.00 O ATOM 1079 C5' U B 523 -8.178 10.107 -9.817 1.00 0.00 C ATOM 1080 C4' U B 523 -6.865 9.358 -9.796 1.00 0.00 C ATOM 1081 O4' U B 523 -6.162 9.821 -10.966 1.00 0.00 O ATOM 1082 C3' U B 523 -5.807 9.965 -8.879 1.00 0.00 C ATOM 1083 O3' U B 523 -6.012 9.491 -7.539 1.00 0.00 O ATOM 1084 C2' U B 523 -4.488 9.503 -9.433 1.00 0.00 C ATOM 1085 O2' U B 523 -4.356 8.213 -8.883 1.00 0.00 O ATOM 1086 C1' U B 523 -4.777 9.551 -10.930 1.00 0.00 C ATOM 1087 N1 U B 523 -4.012 10.593 -11.647 1.00 0.00 N ATOM 1088 C2 U B 523 -2.740 10.268 -12.003 1.00 0.00 C ATOM 1089 O2 U B 523 -2.223 9.188 -11.764 1.00 0.00 O ATOM 1090 N3 U B 523 -2.024 11.237 -12.670 1.00 0.00 N ATOM 1091 C4 U B 523 -2.528 12.476 -12.978 1.00 0.00 C ATOM 1092 O4 U B 523 -1.798 13.264 -13.577 1.00 0.00 O ATOM 1093 C5 U B 523 -3.861 12.763 -12.582 1.00 0.00 C ATOM 1094 C6 U B 523 -4.536 11.809 -11.937 1.00 0.00 C ATOM 0 H5' U B 523 -8.747 9.834 -10.706 1.00 0.00 H new ATOM 0 H5'' U B 523 -8.780 9.824 -8.954 1.00 0.00 H new ATOM 0 H4' U B 523 -7.132 8.319 -9.604 1.00 0.00 H new ATOM 0 H3' U B 523 -5.850 11.053 -8.841 1.00 0.00 H new ATOM 0 H2' U B 523 -3.568 10.049 -9.223 1.00 0.00 H new ATOM 0 HO2' U B 523 -5.023 8.089 -8.176 1.00 0.00 H new ATOM 0 HO3' U B 523 -5.333 9.878 -6.948 1.00 0.00 H new ATOM 0 H1' U B 523 -4.485 8.629 -11.432 1.00 0.00 H new ATOM 0 H3 U B 523 -1.067 11.022 -12.950 1.00 0.00 H new ATOM 0 H5 U B 523 -4.313 13.720 -12.795 1.00 0.00 H new ATOM 0 H6 U B 523 -5.551 12.016 -11.631 1.00 0.00 H new TER 1105 U B 523 HETATM 1106 ZN ZN A 57 -13.979 -0.410 -23.020 1.00 0.00 ZN