USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 643 hydrogens (11 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 23 HIS HE2 : A 23 HIS NE2 : A 128 ZNZN :(H bumps) USER MOD NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 149 ZNZN :(H bumps) USER MOD Set 1.1: A 27 ASN :FLIP amide:sc= -8.05! C(o=-11!,f=-7.4!) USER MOD Set 1.2: B 213 G O2' : rot -1:sc= 0.676 USER MOD Set 2.1: A 26 LYS NZ :NH3+ -120:sc= -4.21! (180deg=-9.26!) USER MOD Set 2.2: B 212 A O2' : rot -13:sc= -0.621 USER MOD Set 3.1: A 5 ASN :FLIP amide:sc= 0.0299 X(o=-0.8,f=-0.76) USER MOD Set 3.2: A 8 ASN :FLIP amide:sc= -0.795 F(o=-7.4!,f=-0.76) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0.334 K(o=0.33,f=-1.7!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -5.59! C(o=-5.6!,f=-5.9!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.991! USER MOD Single : A 14 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.049) USER MOD Single : A 17 ASN : amide:sc= -0.0224 X(o=-0.022,f=-0.00021) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -157:sc=-0.000891 (180deg=-0.863) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -6.58! C(o=-6.6!,f=-14!) USER MOD Single : A 46 MET CE :methyl -141:sc= -1.28 (180deg=-3.57!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0191 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.212 K(o=-0.21,f=-2.3!) USER MOD Single : B 201 CG1 O2' : rot -6:sc= -1.01! USER MOD Single : B 202 G O2' : rot -124:sc= 0.68 USER MOD Single : B 203 C O2' : rot 17:sc= -1.02 USER MOD Single : B 204 G O2' : rot -161:sc= -2.94! USER MOD Single : B 205 A O2' : rot -3:sc= -0.867! USER MOD Single : B 206 C O2' : rot -88:sc= 1.23 USER MOD Single : B 207 U O2' : rot -8:sc= -0.777 USER MOD Single : B 208 G O2' : rot 7:sc= 1.88 USER MOD Single : B 209 G O2' : rot 64:sc= 0.0599 USER MOD Single : B 210 U O2' : rot 25:sc= 0.463 USER MOD Single : B 211 G O2' : rot 86:sc= -1.62! USER MOD Single : B 214 U O2' : rot 24:sc= 1.51 USER MOD Single : B 215 A O2' : rot -21:sc= 0.615 USER MOD Single : B 216 C O2' : rot 26:sc= 0.268 USER MOD Single : B 217 G O2' : rot -10:sc= 0.614 USER MOD Single : B 218 C O2' : rot -15:sc= 0.69 USER MOD Single : B 219 C O2' : rot -25:sc= 0.577 USER MOD Single : B 219 C O3' : rot 180:sc= 0.344 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -34.861 11.589 5.315 1.00 0.00 N ATOM 2 CA MET A 1 -33.550 11.443 5.921 1.00 0.00 C ATOM 3 C MET A 1 -33.256 9.977 6.248 1.00 0.00 C ATOM 4 O MET A 1 -33.754 9.448 7.241 1.00 0.00 O ATOM 5 CB MET A 1 -33.484 12.275 7.203 1.00 0.00 C ATOM 6 CG MET A 1 -32.307 13.253 7.163 1.00 0.00 C ATOM 7 SD MET A 1 -31.077 12.777 8.367 1.00 0.00 S ATOM 8 CE MET A 1 -30.729 14.366 9.100 1.00 0.00 C ATOM 0 H1 MET A 1 -35.036 12.592 5.103 1.00 0.00 H new ATOM 0 H2 MET A 1 -34.900 11.037 4.434 1.00 0.00 H new ATOM 0 H3 MET A 1 -35.588 11.242 5.973 1.00 0.00 H new ATOM 0 HA MET A 1 -32.802 11.794 5.210 1.00 0.00 H new ATOM 0 HB2 MET A 1 -34.415 12.827 7.331 1.00 0.00 H new ATOM 0 HB3 MET A 1 -33.384 11.615 8.064 1.00 0.00 H new ATOM 0 HG2 MET A 1 -31.867 13.264 6.166 1.00 0.00 H new ATOM 0 HG3 MET A 1 -32.657 14.265 7.369 1.00 0.00 H new ATOM 0 HE1 MET A 1 -29.975 14.250 9.878 1.00 0.00 H new ATOM 0 HE2 MET A 1 -30.358 15.047 8.334 1.00 0.00 H new ATOM 0 HE3 MET A 1 -31.641 14.773 9.536 1.00 0.00 H new ATOM 18 N GLN A 2 -32.451 9.364 5.394 1.00 0.00 N ATOM 19 CA GLN A 2 -32.086 7.969 5.580 1.00 0.00 C ATOM 20 C GLN A 2 -33.306 7.070 5.372 1.00 0.00 C ATOM 21 O GLN A 2 -34.253 7.112 6.156 1.00 0.00 O ATOM 22 CB GLN A 2 -31.466 7.743 6.960 1.00 0.00 C ATOM 23 CG GLN A 2 -30.163 6.950 6.852 1.00 0.00 C ATOM 24 CD GLN A 2 -30.442 5.448 6.758 1.00 0.00 C ATOM 25 OE1 GLN A 2 -30.558 4.878 5.686 1.00 0.00 O ATOM 26 NE2 GLN A 2 -30.541 4.842 7.938 1.00 0.00 N ATOM 0 H GLN A 2 -32.041 9.807 4.572 1.00 0.00 H new ATOM 0 HA GLN A 2 -31.335 7.707 4.835 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -31.273 8.704 7.438 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -32.171 7.207 7.596 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -29.606 7.276 5.973 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -29.536 7.154 7.720 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -30.433 5.380 8.798 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -30.725 3.840 7.983 1.00 0.00 H new ATOM 35 N LYS A 3 -33.243 6.276 4.313 1.00 0.00 N ATOM 36 CA LYS A 3 -34.331 5.367 3.993 1.00 0.00 C ATOM 37 C LYS A 3 -34.558 4.416 5.171 1.00 0.00 C ATOM 38 O LYS A 3 -35.699 4.117 5.520 1.00 0.00 O ATOM 39 CB LYS A 3 -34.061 4.652 2.668 1.00 0.00 C ATOM 40 CG LYS A 3 -32.859 3.712 2.789 1.00 0.00 C ATOM 41 CD LYS A 3 -32.716 2.842 1.538 1.00 0.00 C ATOM 42 CE LYS A 3 -31.934 1.563 1.845 1.00 0.00 C ATOM 43 NZ LYS A 3 -32.441 0.438 1.029 1.00 0.00 N ATOM 0 H LYS A 3 -32.456 6.243 3.666 1.00 0.00 H new ATOM 0 HA LYS A 3 -35.259 5.920 3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -34.943 4.085 2.370 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -33.875 5.387 1.885 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -31.950 4.295 2.937 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -32.976 3.077 3.667 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -33.704 2.585 1.155 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -32.207 3.405 0.756 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -30.875 1.719 1.641 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -32.022 1.321 2.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -31.900 -0.422 1.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -33.446 0.279 1.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -32.334 0.665 0.020 1.00 0.00 H new ATOM 57 N GLY A 4 -33.454 3.968 5.749 1.00 0.00 N ATOM 58 CA GLY A 4 -33.518 3.057 6.879 1.00 0.00 C ATOM 59 C GLY A 4 -34.297 3.679 8.040 1.00 0.00 C ATOM 60 O GLY A 4 -34.851 2.963 8.873 1.00 0.00 O ATOM 0 H GLY A 4 -32.510 4.219 5.456 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.995 2.126 6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.509 2.806 7.206 1.00 0.00 H new ATOM 64 N ASN A 5 -34.314 5.003 8.058 1.00 0.00 N ATOM 65 CA ASN A 5 -35.016 5.728 9.103 1.00 0.00 C ATOM 66 C ASN A 5 -36.485 5.302 9.116 1.00 0.00 C ATOM 67 O ASN A 5 -37.103 5.221 10.176 1.00 0.00 O ATOM 68 CB ASN A 5 -34.964 7.237 8.857 1.00 0.00 C ATOM 69 CG ASN A 5 -35.009 8.010 10.176 1.00 0.00 C ATOM 70 OD1 ASN A 5 -33.967 8.815 10.368 1.00 0.00 O flip ATOM 71 ND2 ASN A 5 -35.928 7.885 10.968 1.00 0.00 N flip ATOM 0 H ASN A 5 -33.853 5.593 7.365 1.00 0.00 H new ATOM 0 HA ASN A 5 -34.533 5.500 10.053 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -34.053 7.489 8.315 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -35.803 7.535 8.228 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -36.698 7.250 10.759 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -35.926 8.416 11.839 1.00 0.00 H new ATOM 78 N PHE A 6 -37.002 5.039 7.924 1.00 0.00 N ATOM 79 CA PHE A 6 -38.387 4.622 7.785 1.00 0.00 C ATOM 80 C PHE A 6 -38.655 3.337 8.570 1.00 0.00 C ATOM 81 O PHE A 6 -39.795 3.056 8.937 1.00 0.00 O ATOM 82 CB PHE A 6 -38.626 4.357 6.297 1.00 0.00 C ATOM 83 CG PHE A 6 -40.060 4.631 5.839 1.00 0.00 C ATOM 84 CD1 PHE A 6 -41.081 3.858 6.297 1.00 0.00 C ATOM 85 CD2 PHE A 6 -40.313 5.648 4.972 1.00 0.00 C ATOM 86 CE1 PHE A 6 -42.411 4.113 5.872 1.00 0.00 C ATOM 87 CE2 PHE A 6 -41.644 5.903 4.546 1.00 0.00 C ATOM 88 CZ PHE A 6 -42.665 5.130 5.004 1.00 0.00 C ATOM 0 H PHE A 6 -36.487 5.107 7.046 1.00 0.00 H new ATOM 0 HA PHE A 6 -39.050 5.396 8.172 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -37.945 4.977 5.714 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -38.378 3.318 6.079 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -40.880 3.050 6.984 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -39.502 6.261 4.608 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -43.222 3.500 6.237 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -41.845 6.711 3.858 1.00 0.00 H new ATOM 0 HZ PHE A 6 -43.677 5.323 4.679 1.00 0.00 H new ATOM 98 N ARG A 7 -37.585 2.592 8.805 1.00 0.00 N ATOM 99 CA ARG A 7 -37.691 1.342 9.540 1.00 0.00 C ATOM 100 C ARG A 7 -38.230 1.600 10.949 1.00 0.00 C ATOM 101 O ARG A 7 -38.639 0.669 11.641 1.00 0.00 O ATOM 102 CB ARG A 7 -36.332 0.646 9.641 1.00 0.00 C ATOM 103 CG ARG A 7 -36.502 -0.854 9.890 1.00 0.00 C ATOM 104 CD ARG A 7 -36.479 -1.634 8.574 1.00 0.00 C ATOM 105 NE ARG A 7 -36.845 -3.047 8.817 1.00 0.00 N ATOM 106 CZ ARG A 7 -35.976 -3.992 9.203 1.00 0.00 C ATOM 107 NH1 ARG A 7 -34.687 -3.681 9.390 1.00 0.00 N ATOM 108 NH2 ARG A 7 -36.398 -5.249 9.398 1.00 0.00 N ATOM 0 H ARG A 7 -36.641 2.829 8.500 1.00 0.00 H new ATOM 0 HA ARG A 7 -38.379 0.694 8.997 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -35.769 0.804 8.721 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -35.752 1.089 10.450 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -35.705 -1.211 10.542 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -37.443 -1.036 10.408 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -37.175 -1.186 7.864 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -35.487 -1.579 8.126 1.00 0.00 H new ATOM 0 HE ARG A 7 -37.819 -3.319 8.682 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -34.366 -2.725 9.239 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -34.026 -4.400 9.684 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -37.379 -5.486 9.253 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -35.738 -5.969 9.692 1.00 0.00 H new ATOM 122 N ASN A 8 -38.213 2.868 11.332 1.00 0.00 N ATOM 123 CA ASN A 8 -38.695 3.260 12.646 1.00 0.00 C ATOM 124 C ASN A 8 -40.177 2.895 12.771 1.00 0.00 C ATOM 125 O ASN A 8 -40.727 2.891 13.870 1.00 0.00 O ATOM 126 CB ASN A 8 -38.561 4.770 12.854 1.00 0.00 C ATOM 127 CG ASN A 8 -39.593 5.532 12.020 1.00 0.00 C ATOM 128 OD1 ASN A 8 -40.824 5.501 12.520 1.00 0.00 O flip ATOM 129 ND2 ASN A 8 -39.289 6.111 10.989 1.00 0.00 N flip ATOM 0 H ASN A 8 -37.873 3.638 10.755 1.00 0.00 H new ATOM 0 HA ASN A 8 -38.098 2.738 13.394 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -38.693 5.008 13.909 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -37.557 5.091 12.578 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -38.323 6.095 10.661 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -40.001 6.611 10.456 1.00 0.00 H new ATOM 136 N GLN A 9 -40.777 2.598 11.628 1.00 0.00 N ATOM 137 CA GLN A 9 -42.183 2.233 11.596 1.00 0.00 C ATOM 138 C GLN A 9 -42.447 1.052 12.533 1.00 0.00 C ATOM 139 O GLN A 9 -43.567 0.867 13.005 1.00 0.00 O ATOM 140 CB GLN A 9 -42.634 1.911 10.170 1.00 0.00 C ATOM 141 CG GLN A 9 -44.147 2.083 10.020 1.00 0.00 C ATOM 142 CD GLN A 9 -44.477 3.308 9.165 1.00 0.00 C ATOM 143 OE1 GLN A 9 -43.680 3.775 8.369 1.00 0.00 O ATOM 144 NE2 GLN A 9 -45.695 3.801 9.375 1.00 0.00 N ATOM 0 H GLN A 9 -40.316 2.603 10.718 1.00 0.00 H new ATOM 0 HA GLN A 9 -42.767 3.086 11.943 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -42.119 2.564 9.466 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -42.354 0.888 9.919 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -44.575 1.190 9.563 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -44.604 2.188 11.004 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -46.313 3.361 10.057 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -46.011 4.619 8.854 1.00 0.00 H new ATOM 153 N ARG A 10 -41.395 0.283 12.774 1.00 0.00 N ATOM 154 CA ARG A 10 -41.499 -0.875 13.646 1.00 0.00 C ATOM 155 C ARG A 10 -42.029 -0.459 15.019 1.00 0.00 C ATOM 156 O ARG A 10 -42.616 -1.271 15.735 1.00 0.00 O ATOM 157 CB ARG A 10 -40.141 -1.558 13.817 1.00 0.00 C ATOM 158 CG ARG A 10 -40.297 -2.934 14.470 1.00 0.00 C ATOM 159 CD ARG A 10 -39.224 -3.161 15.537 1.00 0.00 C ATOM 160 NE ARG A 10 -39.738 -4.069 16.585 1.00 0.00 N ATOM 161 CZ ARG A 10 -39.981 -5.374 16.397 1.00 0.00 C ATOM 162 NH1 ARG A 10 -39.757 -5.930 15.199 1.00 0.00 N ATOM 163 NH2 ARG A 10 -40.445 -6.121 17.406 1.00 0.00 N ATOM 0 H ARG A 10 -40.467 0.439 12.381 1.00 0.00 H new ATOM 0 HA ARG A 10 -42.191 -1.578 13.183 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -39.659 -1.665 12.845 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -39.490 -0.933 14.428 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -41.286 -3.016 14.921 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -40.228 -3.711 13.709 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -38.330 -3.587 15.081 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -38.933 -2.209 15.980 1.00 0.00 H new ATOM 0 HE ARG A 10 -39.919 -3.678 17.509 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -39.402 -5.361 14.431 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -39.942 -6.923 15.055 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -40.614 -5.697 18.318 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -40.630 -7.114 17.263 1.00 0.00 H new ATOM 177 N LYS A 11 -41.805 0.805 15.347 1.00 0.00 N ATOM 178 CA LYS A 11 -42.254 1.339 16.622 1.00 0.00 C ATOM 179 C LYS A 11 -43.134 2.565 16.375 1.00 0.00 C ATOM 180 O LYS A 11 -43.124 3.509 17.164 1.00 0.00 O ATOM 181 CB LYS A 11 -41.060 1.613 17.538 1.00 0.00 C ATOM 182 CG LYS A 11 -41.212 0.882 18.873 1.00 0.00 C ATOM 183 CD LYS A 11 -40.379 1.554 19.966 1.00 0.00 C ATOM 184 CE LYS A 11 -39.025 0.860 20.129 1.00 0.00 C ATOM 185 NZ LYS A 11 -38.060 1.757 20.802 1.00 0.00 N ATOM 0 H LYS A 11 -41.318 1.475 14.752 1.00 0.00 H new ATOM 0 HA LYS A 11 -42.868 0.607 17.147 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -40.140 1.294 17.048 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -40.971 2.685 17.715 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -42.262 0.870 19.167 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -40.900 -0.156 18.760 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -40.226 2.604 19.717 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -40.922 1.526 20.911 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -39.146 -0.055 20.710 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -38.639 0.569 19.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -37.147 1.270 20.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -37.931 2.618 20.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -38.423 2.014 21.742 1.00 0.00 H new ATOM 199 N THR A 12 -43.875 2.511 15.278 1.00 0.00 N ATOM 200 CA THR A 12 -44.760 3.606 14.918 1.00 0.00 C ATOM 201 C THR A 12 -43.982 4.700 14.183 1.00 0.00 C ATOM 202 O THR A 12 -42.766 4.811 14.334 1.00 0.00 O ATOM 203 CB THR A 12 -45.445 4.101 16.194 1.00 0.00 C ATOM 204 OG1 THR A 12 -45.690 2.911 16.939 1.00 0.00 O ATOM 205 CG2 THR A 12 -46.840 4.668 15.928 1.00 0.00 C ATOM 0 H THR A 12 -43.881 1.726 14.627 1.00 0.00 H new ATOM 0 HA THR A 12 -45.533 3.277 14.224 1.00 0.00 H new ATOM 0 HB THR A 12 -44.827 4.866 16.665 1.00 0.00 H new ATOM 0 HG1 THR A 12 -46.131 3.139 17.784 1.00 0.00 H new ATOM 0 HG21 THR A 12 -47.281 5.005 16.866 1.00 0.00 H new ATOM 0 HG22 THR A 12 -46.765 5.510 15.240 1.00 0.00 H new ATOM 0 HG23 THR A 12 -47.469 3.894 15.488 1.00 0.00 H new ATOM 213 N VAL A 13 -44.716 5.481 13.403 1.00 0.00 N ATOM 214 CA VAL A 13 -44.110 6.563 12.645 1.00 0.00 C ATOM 215 C VAL A 13 -44.887 7.855 12.899 1.00 0.00 C ATOM 216 O VAL A 13 -45.823 7.875 13.697 1.00 0.00 O ATOM 217 CB VAL A 13 -44.042 6.188 11.164 1.00 0.00 C ATOM 218 CG1 VAL A 13 -45.399 6.388 10.484 1.00 0.00 C ATOM 219 CG2 VAL A 13 -42.947 6.982 10.447 1.00 0.00 C ATOM 0 H VAL A 13 -45.724 5.386 13.280 1.00 0.00 H new ATOM 0 HA VAL A 13 -43.084 6.731 12.972 1.00 0.00 H new ATOM 0 HB VAL A 13 -43.787 5.130 11.098 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -45.323 6.114 9.432 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -46.145 5.759 10.969 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -45.697 7.433 10.566 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -42.920 6.696 9.395 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -43.158 8.048 10.528 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -41.982 6.768 10.906 1.00 0.00 H new ATOM 229 N LYS A 14 -44.471 8.904 12.206 1.00 0.00 N ATOM 230 CA LYS A 14 -45.116 10.199 12.346 1.00 0.00 C ATOM 231 C LYS A 14 -45.274 10.838 10.966 1.00 0.00 C ATOM 232 O LYS A 14 -44.307 10.945 10.213 1.00 0.00 O ATOM 233 CB LYS A 14 -44.353 11.072 13.345 1.00 0.00 C ATOM 234 CG LYS A 14 -45.017 12.443 13.493 1.00 0.00 C ATOM 235 CD LYS A 14 -45.048 12.882 14.958 1.00 0.00 C ATOM 236 CE LYS A 14 -45.229 14.397 15.073 1.00 0.00 C ATOM 237 NZ LYS A 14 -43.954 15.094 14.789 1.00 0.00 N ATOM 0 H LYS A 14 -43.694 8.884 11.545 1.00 0.00 H new ATOM 0 HA LYS A 14 -46.118 10.083 12.759 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -44.317 10.575 14.314 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -43.323 11.197 13.012 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -44.474 13.180 12.900 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -46.033 12.403 13.100 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -45.862 12.375 15.476 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -44.122 12.584 15.450 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -45.997 14.732 14.375 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -45.575 14.653 16.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -44.057 16.107 15.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -43.199 14.691 15.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -43.709 14.975 13.785 1.00 0.00 H new ATOM 251 N CYS A 15 -46.501 11.246 10.675 1.00 0.00 N ATOM 252 CA CYS A 15 -46.798 11.872 9.397 1.00 0.00 C ATOM 253 C CYS A 15 -46.366 13.337 9.469 1.00 0.00 C ATOM 254 O CYS A 15 -46.893 14.106 10.271 1.00 0.00 O ATOM 255 CB CYS A 15 -48.276 11.730 9.029 1.00 0.00 C ATOM 256 SG CYS A 15 -48.545 12.275 7.303 1.00 0.00 S ATOM 0 H CYS A 15 -47.301 11.155 11.302 1.00 0.00 H new ATOM 0 HA CYS A 15 -46.244 11.369 8.604 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -48.590 10.693 9.145 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -48.887 12.326 9.707 1.00 0.00 H new ATOM 261 N PHE A 16 -45.410 13.681 8.618 1.00 0.00 N ATOM 262 CA PHE A 16 -44.901 15.042 8.574 1.00 0.00 C ATOM 263 C PHE A 16 -45.792 15.933 7.706 1.00 0.00 C ATOM 264 O PHE A 16 -45.396 17.035 7.332 1.00 0.00 O ATOM 265 CB PHE A 16 -43.504 14.977 7.953 1.00 0.00 C ATOM 266 CG PHE A 16 -43.465 15.351 6.469 1.00 0.00 C ATOM 267 CD1 PHE A 16 -44.078 14.557 5.551 1.00 0.00 C ATOM 268 CD2 PHE A 16 -42.818 16.478 6.070 1.00 0.00 C ATOM 269 CE1 PHE A 16 -44.042 14.905 4.174 1.00 0.00 C ATOM 270 CE2 PHE A 16 -42.781 16.827 4.693 1.00 0.00 C ATOM 271 CZ PHE A 16 -43.394 16.032 3.775 1.00 0.00 C ATOM 0 H PHE A 16 -44.975 13.041 7.954 1.00 0.00 H new ATOM 0 HA PHE A 16 -44.880 15.464 9.579 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -42.841 15.645 8.503 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -43.111 13.968 8.073 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -44.592 13.662 5.869 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -42.332 17.108 6.800 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -44.529 14.275 3.445 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -42.267 17.722 4.376 1.00 0.00 H new ATOM 0 HZ PHE A 16 -43.366 16.296 2.728 1.00 0.00 H new ATOM 281 N ASN A 17 -46.978 15.422 7.411 1.00 0.00 N ATOM 282 CA ASN A 17 -47.928 16.157 6.594 1.00 0.00 C ATOM 283 C ASN A 17 -49.157 16.503 7.436 1.00 0.00 C ATOM 284 O ASN A 17 -49.570 17.660 7.493 1.00 0.00 O ATOM 285 CB ASN A 17 -48.392 15.320 5.400 1.00 0.00 C ATOM 286 CG ASN A 17 -49.675 15.893 4.795 1.00 0.00 C ATOM 287 OD1 ASN A 17 -49.753 17.053 4.425 1.00 0.00 O ATOM 288 ND2 ASN A 17 -50.673 15.017 4.716 1.00 0.00 N ATOM 0 H ASN A 17 -47.303 14.507 7.723 1.00 0.00 H new ATOM 0 HA ASN A 17 -47.434 17.058 6.231 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -47.608 15.294 4.643 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -48.563 14.291 5.717 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -51.572 15.302 4.327 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -50.539 14.061 5.045 1.00 0.00 H new ATOM 295 N CYS A 18 -49.708 15.478 8.069 1.00 0.00 N ATOM 296 CA CYS A 18 -50.883 15.658 8.906 1.00 0.00 C ATOM 297 C CYS A 18 -50.429 15.705 10.367 1.00 0.00 C ATOM 298 O CYS A 18 -51.011 16.423 11.178 1.00 0.00 O ATOM 299 CB CYS A 18 -51.923 14.563 8.665 1.00 0.00 C ATOM 300 SG CYS A 18 -51.363 12.993 9.422 1.00 0.00 S ATOM 0 H CYS A 18 -49.363 14.519 8.019 1.00 0.00 H new ATOM 0 HA CYS A 18 -51.375 16.596 8.650 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -52.882 14.860 9.090 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -52.078 14.426 7.595 1.00 0.00 H new ATOM 305 N GLY A 19 -49.395 14.930 10.657 1.00 0.00 N ATOM 306 CA GLY A 19 -48.857 14.873 12.006 1.00 0.00 C ATOM 307 C GLY A 19 -49.166 13.526 12.663 1.00 0.00 C ATOM 308 O GLY A 19 -48.312 12.948 13.334 1.00 0.00 O ATOM 0 H GLY A 19 -48.915 14.336 9.981 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -47.779 15.029 11.978 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -49.281 15.679 12.605 1.00 0.00 H new ATOM 312 N LYS A 20 -50.390 13.065 12.448 1.00 0.00 N ATOM 313 CA LYS A 20 -50.822 11.798 13.011 1.00 0.00 C ATOM 314 C LYS A 20 -49.685 10.779 12.896 1.00 0.00 C ATOM 315 O LYS A 20 -48.873 10.852 11.975 1.00 0.00 O ATOM 316 CB LYS A 20 -52.127 11.339 12.359 1.00 0.00 C ATOM 317 CG LYS A 20 -53.064 10.708 13.391 1.00 0.00 C ATOM 318 CD LYS A 20 -53.289 9.224 13.092 1.00 0.00 C ATOM 319 CE LYS A 20 -54.437 9.034 12.099 1.00 0.00 C ATOM 320 NZ LYS A 20 -55.113 7.738 12.331 1.00 0.00 N ATOM 0 H LYS A 20 -51.096 13.547 11.891 1.00 0.00 H new ATOM 0 HA LYS A 20 -51.045 11.909 14.072 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -52.620 12.189 11.887 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -51.910 10.618 11.571 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -52.641 10.822 14.389 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -54.020 11.232 13.388 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -52.376 8.788 12.686 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -53.512 8.692 14.017 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -55.154 9.849 12.202 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -54.054 9.074 11.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -55.890 7.625 11.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -54.430 6.963 12.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -55.495 7.714 13.298 1.00 0.00 H new ATOM 334 N GLU A 21 -49.665 9.853 13.843 1.00 0.00 N ATOM 335 CA GLU A 21 -48.642 8.821 13.859 1.00 0.00 C ATOM 336 C GLU A 21 -49.215 7.497 13.350 1.00 0.00 C ATOM 337 O GLU A 21 -50.431 7.304 13.346 1.00 0.00 O ATOM 338 CB GLU A 21 -48.048 8.660 15.259 1.00 0.00 C ATOM 339 CG GLU A 21 -49.149 8.442 16.300 1.00 0.00 C ATOM 340 CD GLU A 21 -49.387 9.714 17.118 1.00 0.00 C ATOM 341 OE1 GLU A 21 -50.220 10.530 16.668 1.00 0.00 O ATOM 342 OE2 GLU A 21 -48.732 9.839 18.175 1.00 0.00 O ATOM 0 H GLU A 21 -50.341 9.796 14.605 1.00 0.00 H new ATOM 0 HA GLU A 21 -47.836 9.125 13.191 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -47.359 7.815 15.271 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -47.469 9.547 15.517 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -50.073 8.147 15.802 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -48.870 7.624 16.965 1.00 0.00 H new ATOM 349 N GLY A 22 -48.315 6.620 12.933 1.00 0.00 N ATOM 350 CA GLY A 22 -48.716 5.320 12.423 1.00 0.00 C ATOM 351 C GLY A 22 -48.438 5.209 10.923 1.00 0.00 C ATOM 352 O GLY A 22 -48.153 4.124 10.420 1.00 0.00 O ATOM 0 H GLY A 22 -47.308 6.784 12.938 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -48.178 4.535 12.955 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -49.778 5.163 12.612 1.00 0.00 H new ATOM 356 N HIS A 23 -48.529 6.347 10.251 1.00 0.00 N ATOM 357 CA HIS A 23 -48.291 6.392 8.818 1.00 0.00 C ATOM 358 C HIS A 23 -47.505 7.656 8.468 1.00 0.00 C ATOM 359 O HIS A 23 -47.123 8.419 9.354 1.00 0.00 O ATOM 360 CB HIS A 23 -49.606 6.278 8.045 1.00 0.00 C ATOM 361 CG HIS A 23 -50.443 7.535 8.067 1.00 0.00 C ATOM 362 ND1 HIS A 23 -51.688 7.596 8.667 1.00 0.00 N ATOM 363 CD2 HIS A 23 -50.198 8.777 7.559 1.00 0.00 C ATOM 364 CE1 HIS A 23 -52.164 8.824 8.520 1.00 0.00 C ATOM 365 NE2 HIS A 23 -51.240 9.554 7.832 1.00 0.00 N ATOM 0 H HIS A 23 -48.764 7.246 10.672 1.00 0.00 H new ATOM 0 HA HIS A 23 -47.686 5.536 8.519 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -49.385 6.019 7.009 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -50.190 5.457 8.461 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -52.160 6.826 9.142 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -49.308 9.077 7.026 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -53.116 9.183 8.881 1.00 0.00 H new ATOM 373 N ILE A 24 -47.287 7.840 7.174 1.00 0.00 N ATOM 374 CA ILE A 24 -46.553 8.999 6.696 1.00 0.00 C ATOM 375 C ILE A 24 -47.363 9.692 5.598 1.00 0.00 C ATOM 376 O ILE A 24 -48.307 9.116 5.059 1.00 0.00 O ATOM 377 CB ILE A 24 -45.143 8.598 6.259 1.00 0.00 C ATOM 378 CG1 ILE A 24 -44.908 8.934 4.785 1.00 0.00 C ATOM 379 CG2 ILE A 24 -44.875 7.122 6.559 1.00 0.00 C ATOM 380 CD1 ILE A 24 -43.667 8.216 4.249 1.00 0.00 C ATOM 0 H ILE A 24 -47.606 7.206 6.442 1.00 0.00 H new ATOM 0 HA ILE A 24 -46.419 9.723 7.500 1.00 0.00 H new ATOM 0 HB ILE A 24 -44.428 9.181 6.840 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -45.781 8.645 4.199 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -44.788 10.011 4.669 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -43.866 6.863 6.239 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -44.972 6.945 7.630 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -45.596 6.505 6.022 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -43.523 8.472 3.199 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -42.792 8.525 4.821 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -43.801 7.138 4.344 1.00 0.00 H new ATOM 392 N ALA A 25 -46.963 10.919 5.297 1.00 0.00 N ATOM 393 CA ALA A 25 -47.640 11.696 4.273 1.00 0.00 C ATOM 394 C ALA A 25 -47.662 10.902 2.967 1.00 0.00 C ATOM 395 O ALA A 25 -48.719 10.713 2.368 1.00 0.00 O ATOM 396 CB ALA A 25 -46.946 13.052 4.120 1.00 0.00 C ATOM 0 H ALA A 25 -46.179 11.394 5.744 1.00 0.00 H new ATOM 0 HA ALA A 25 -48.674 11.889 4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -47.453 13.636 3.352 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -46.984 13.589 5.068 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -45.906 12.898 3.831 1.00 0.00 H new ATOM 402 N LYS A 26 -46.481 10.456 2.562 1.00 0.00 N ATOM 403 CA LYS A 26 -46.351 9.686 1.338 1.00 0.00 C ATOM 404 C LYS A 26 -47.515 8.698 1.236 1.00 0.00 C ATOM 405 O LYS A 26 -47.896 8.292 0.138 1.00 0.00 O ATOM 406 CB LYS A 26 -44.974 9.023 1.264 1.00 0.00 C ATOM 407 CG LYS A 26 -45.056 7.544 1.648 1.00 0.00 C ATOM 408 CD LYS A 26 -43.710 6.847 1.439 1.00 0.00 C ATOM 409 CE LYS A 26 -43.063 7.289 0.125 1.00 0.00 C ATOM 410 NZ LYS A 26 -42.241 8.502 0.335 1.00 0.00 N ATOM 0 H LYS A 26 -45.606 10.614 3.061 1.00 0.00 H new ATOM 0 HA LYS A 26 -46.410 10.341 0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -44.574 9.119 0.254 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -44.282 9.538 1.931 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -45.359 7.452 2.691 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -45.822 7.051 1.049 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -43.045 7.076 2.271 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -43.853 5.766 1.433 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -42.442 6.485 -0.270 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -43.835 7.490 -0.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -42.604 9.274 -0.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -42.287 8.784 1.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -41.254 8.301 0.077 1.00 0.00 H new ATOM 424 N ASN A 27 -48.048 8.340 2.394 1.00 0.00 N ATOM 425 CA ASN A 27 -49.162 7.408 2.449 1.00 0.00 C ATOM 426 C ASN A 27 -50.081 7.786 3.612 1.00 0.00 C ATOM 427 O ASN A 27 -50.320 6.977 4.507 1.00 0.00 O ATOM 428 CB ASN A 27 -48.671 5.977 2.681 1.00 0.00 C ATOM 429 CG ASN A 27 -47.193 5.961 3.075 1.00 0.00 C ATOM 430 OD1 ASN A 27 -46.906 6.723 4.127 1.00 0.00 O flip ATOM 431 ND2 ASN A 27 -46.367 5.302 2.465 1.00 0.00 N flip ATOM 0 H ASN A 27 -47.730 8.678 3.302 1.00 0.00 H new ATOM 0 HA ASN A 27 -49.692 7.459 1.498 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -49.265 5.508 3.465 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -48.816 5.388 1.775 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -46.654 4.738 1.665 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -45.389 5.315 2.755 1.00 0.00 H new ATOM 438 N CYS A 28 -50.573 9.015 3.561 1.00 0.00 N ATOM 439 CA CYS A 28 -51.460 9.510 4.600 1.00 0.00 C ATOM 440 C CYS A 28 -52.869 8.982 4.319 1.00 0.00 C ATOM 441 O CYS A 28 -53.325 8.998 3.177 1.00 0.00 O ATOM 442 CB CYS A 28 -51.431 11.037 4.688 1.00 0.00 C ATOM 443 SG CYS A 28 -52.472 11.603 6.082 1.00 0.00 S ATOM 0 H CYS A 28 -50.374 9.683 2.816 1.00 0.00 H new ATOM 0 HA CYS A 28 -51.124 9.149 5.572 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -50.406 11.382 4.825 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -51.791 11.470 3.755 1.00 0.00 H new ATOM 448 N ARG A 29 -53.517 8.526 5.380 1.00 0.00 N ATOM 449 CA ARG A 29 -54.864 7.994 5.263 1.00 0.00 C ATOM 450 C ARG A 29 -55.795 9.039 4.644 1.00 0.00 C ATOM 451 O ARG A 29 -56.753 8.693 3.955 1.00 0.00 O ATOM 452 CB ARG A 29 -55.413 7.577 6.629 1.00 0.00 C ATOM 453 CG ARG A 29 -55.117 6.102 6.911 1.00 0.00 C ATOM 454 CD ARG A 29 -55.464 5.741 8.356 1.00 0.00 C ATOM 455 NE ARG A 29 -56.923 5.863 8.572 1.00 0.00 N ATOM 456 CZ ARG A 29 -57.553 5.467 9.687 1.00 0.00 C ATOM 457 NH1 ARG A 29 -56.856 4.920 10.692 1.00 0.00 N ATOM 458 NH2 ARG A 29 -58.880 5.616 9.795 1.00 0.00 N ATOM 0 H ARG A 29 -53.134 8.514 6.325 1.00 0.00 H new ATOM 0 HA ARG A 29 -54.819 7.115 4.619 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -54.969 8.196 7.408 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -56.489 7.748 6.660 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -55.690 5.475 6.228 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -54.063 5.896 6.724 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -55.140 4.723 8.573 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -54.930 6.399 9.042 1.00 0.00 H new ATOM 0 HE ARG A 29 -57.484 6.274 7.826 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -55.846 4.805 10.609 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -57.335 4.619 11.540 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -59.411 6.031 9.029 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -59.360 5.315 10.643 1.00 0.00 H new ATOM 472 N ALA A 30 -55.482 10.298 4.913 1.00 0.00 N ATOM 473 CA ALA A 30 -56.278 11.396 4.392 1.00 0.00 C ATOM 474 C ALA A 30 -56.711 11.071 2.962 1.00 0.00 C ATOM 475 O ALA A 30 -55.938 10.510 2.187 1.00 0.00 O ATOM 476 CB ALA A 30 -55.476 12.696 4.478 1.00 0.00 C ATOM 0 H ALA A 30 -54.687 10.582 5.486 1.00 0.00 H new ATOM 0 HA ALA A 30 -57.181 11.532 4.987 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -56.074 13.519 4.087 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -55.219 12.897 5.518 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -54.563 12.600 3.890 1.00 0.00 H new ATOM 482 N PRO A 31 -57.979 11.450 2.644 1.00 0.00 N ATOM 483 CA PRO A 31 -58.523 11.205 1.319 1.00 0.00 C ATOM 484 C PRO A 31 -57.940 12.183 0.298 1.00 0.00 C ATOM 485 O PRO A 31 -57.764 11.835 -0.870 1.00 0.00 O ATOM 486 CB PRO A 31 -60.028 11.343 1.481 1.00 0.00 C ATOM 487 CG PRO A 31 -60.239 12.113 2.775 1.00 0.00 C ATOM 488 CD PRO A 31 -58.923 12.117 3.535 1.00 0.00 C ATOM 0 HA PRO A 31 -58.266 10.218 0.934 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -60.465 11.874 0.635 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -60.507 10.365 1.526 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -60.561 13.133 2.564 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -61.023 11.648 3.372 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -58.601 13.133 3.764 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -59.012 11.589 4.484 1.00 0.00 H new ATOM 496 N ARG A 32 -57.655 13.386 0.773 1.00 0.00 N ATOM 497 CA ARG A 32 -57.094 14.416 -0.085 1.00 0.00 C ATOM 498 C ARG A 32 -58.158 14.936 -1.054 1.00 0.00 C ATOM 499 O ARG A 32 -58.857 14.151 -1.695 1.00 0.00 O ATOM 500 CB ARG A 32 -55.904 13.881 -0.883 1.00 0.00 C ATOM 501 CG ARG A 32 -54.968 15.017 -1.300 1.00 0.00 C ATOM 502 CD ARG A 32 -55.411 15.633 -2.628 1.00 0.00 C ATOM 503 NE ARG A 32 -55.253 14.648 -3.721 1.00 0.00 N ATOM 504 CZ ARG A 32 -55.916 14.703 -4.884 1.00 0.00 C ATOM 505 NH1 ARG A 32 -56.787 15.697 -5.112 1.00 0.00 N ATOM 506 NH2 ARG A 32 -55.709 13.766 -5.819 1.00 0.00 N ATOM 0 H ARG A 32 -57.802 13.671 1.741 1.00 0.00 H new ATOM 0 HA ARG A 32 -56.751 15.230 0.554 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -55.356 13.155 -0.282 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -56.262 13.356 -1.769 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -54.954 15.784 -0.526 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -53.950 14.639 -1.392 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -56.451 15.951 -2.562 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -54.819 16.523 -2.841 1.00 0.00 H new ATOM 0 HE ARG A 32 -54.598 13.879 -3.580 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -56.944 16.410 -4.400 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -57.292 15.740 -5.997 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -55.046 13.010 -5.646 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -56.214 13.808 -6.704 1.00 0.00 H new ATOM 520 N LYS A 33 -58.247 16.256 -1.134 1.00 0.00 N ATOM 521 CA LYS A 33 -59.213 16.888 -2.015 1.00 0.00 C ATOM 522 C LYS A 33 -58.922 18.389 -2.090 1.00 0.00 C ATOM 523 O LYS A 33 -59.833 19.209 -1.987 1.00 0.00 O ATOM 524 CB LYS A 33 -60.640 16.562 -1.569 1.00 0.00 C ATOM 525 CG LYS A 33 -61.666 17.166 -2.529 1.00 0.00 C ATOM 526 CD LYS A 33 -62.663 16.106 -3.004 1.00 0.00 C ATOM 527 CE LYS A 33 -63.388 16.564 -4.270 1.00 0.00 C ATOM 528 NZ LYS A 33 -64.532 17.438 -3.926 1.00 0.00 N ATOM 0 H LYS A 33 -57.666 16.904 -0.603 1.00 0.00 H new ATOM 0 HA LYS A 33 -59.121 16.492 -3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -60.772 15.481 -1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -60.807 16.947 -0.563 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -62.200 17.977 -2.033 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -61.154 17.600 -3.388 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -62.139 15.170 -3.199 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -63.390 15.906 -2.217 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -62.695 17.100 -4.919 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -63.741 15.697 -4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -65.013 17.740 -4.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -65.200 16.915 -3.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -64.188 18.275 -3.413 1.00 0.00 H new ATOM 542 N LYS A 34 -57.647 18.702 -2.271 1.00 0.00 N ATOM 543 CA LYS A 34 -57.223 20.089 -2.362 1.00 0.00 C ATOM 544 C LYS A 34 -57.612 20.823 -1.077 1.00 0.00 C ATOM 545 O LYS A 34 -58.795 21.013 -0.800 1.00 0.00 O ATOM 546 CB LYS A 34 -57.779 20.737 -3.632 1.00 0.00 C ATOM 547 CG LYS A 34 -56.726 20.760 -4.742 1.00 0.00 C ATOM 548 CD LYS A 34 -57.379 20.617 -6.119 1.00 0.00 C ATOM 549 CE LYS A 34 -56.325 20.620 -7.227 1.00 0.00 C ATOM 550 NZ LYS A 34 -56.776 19.801 -8.374 1.00 0.00 N ATOM 0 H LYS A 34 -56.894 18.019 -2.357 1.00 0.00 H new ATOM 0 HA LYS A 34 -56.138 20.150 -2.449 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -58.657 20.187 -3.970 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -58.104 21.754 -3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -56.165 21.693 -4.697 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -56.012 19.951 -4.588 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -57.952 19.691 -6.159 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -58.082 21.434 -6.279 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -56.136 21.642 -7.555 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -55.383 20.230 -6.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -56.049 19.814 -9.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -56.934 18.822 -8.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -57.663 20.191 -8.751 1.00 0.00 H new ATOM 564 N GLY A 35 -56.593 21.214 -0.325 1.00 0.00 N ATOM 565 CA GLY A 35 -56.814 21.922 0.925 1.00 0.00 C ATOM 566 C GLY A 35 -55.507 22.514 1.458 1.00 0.00 C ATOM 567 O GLY A 35 -54.505 21.811 1.574 1.00 0.00 O ATOM 0 H GLY A 35 -55.613 21.054 -0.557 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -57.543 22.718 0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -57.237 21.241 1.663 1.00 0.00 H new ATOM 571 N CYS A 36 -55.561 23.800 1.767 1.00 0.00 N ATOM 572 CA CYS A 36 -54.395 24.495 2.285 1.00 0.00 C ATOM 573 C CYS A 36 -54.144 24.013 3.715 1.00 0.00 C ATOM 574 O CYS A 36 -54.867 24.389 4.637 1.00 0.00 O ATOM 575 CB CYS A 36 -54.564 26.014 2.217 1.00 0.00 C ATOM 576 SG CYS A 36 -53.047 26.841 2.819 1.00 0.00 S ATOM 0 H CYS A 36 -56.394 24.380 1.669 1.00 0.00 H new ATOM 0 HA CYS A 36 -53.528 24.264 1.667 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -54.772 26.319 1.191 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -55.419 26.320 2.820 1.00 0.00 H new ATOM 581 N TRP A 37 -53.117 23.187 3.855 1.00 0.00 N ATOM 582 CA TRP A 37 -52.762 22.649 5.158 1.00 0.00 C ATOM 583 C TRP A 37 -51.789 23.625 5.823 1.00 0.00 C ATOM 584 O TRP A 37 -51.105 23.268 6.780 1.00 0.00 O ATOM 585 CB TRP A 37 -52.197 21.234 5.030 1.00 0.00 C ATOM 586 CG TRP A 37 -50.706 21.127 5.359 1.00 0.00 C ATOM 587 CD1 TRP A 37 -50.090 20.204 6.110 1.00 0.00 C ATOM 588 CD2 TRP A 37 -49.662 22.019 4.914 1.00 0.00 C ATOM 589 NE1 TRP A 37 -48.731 20.433 6.181 1.00 0.00 N ATOM 590 CE2 TRP A 37 -48.463 21.573 5.431 1.00 0.00 C ATOM 591 CE3 TRP A 37 -49.728 23.164 4.102 1.00 0.00 C ATOM 592 CZ2 TRP A 37 -47.240 22.211 5.193 1.00 0.00 C ATOM 593 CZ3 TRP A 37 -48.498 23.792 3.874 1.00 0.00 C ATOM 594 CH2 TRP A 37 -47.281 23.355 4.386 1.00 0.00 C ATOM 0 H TRP A 37 -52.520 22.877 3.088 1.00 0.00 H new ATOM 0 HA TRP A 37 -53.645 22.553 5.790 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -52.753 20.570 5.692 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -52.360 20.879 4.012 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -50.594 19.383 6.599 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -48.049 19.870 6.690 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -50.655 23.531 3.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -46.315 21.841 5.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -48.494 24.678 3.257 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -46.373 23.895 4.163 1.00 0.00 H new ATOM 605 N LYS A 38 -51.759 24.837 5.289 1.00 0.00 N ATOM 606 CA LYS A 38 -50.881 25.866 5.818 1.00 0.00 C ATOM 607 C LYS A 38 -51.709 26.878 6.614 1.00 0.00 C ATOM 608 O LYS A 38 -51.234 27.433 7.603 1.00 0.00 O ATOM 609 CB LYS A 38 -50.055 26.496 4.694 1.00 0.00 C ATOM 610 CG LYS A 38 -48.627 26.785 5.159 1.00 0.00 C ATOM 611 CD LYS A 38 -48.269 28.258 4.950 1.00 0.00 C ATOM 612 CE LYS A 38 -48.275 29.018 6.278 1.00 0.00 C ATOM 613 NZ LYS A 38 -47.500 30.273 6.160 1.00 0.00 N ATOM 0 H LYS A 38 -52.329 25.129 4.495 1.00 0.00 H new ATOM 0 HA LYS A 38 -50.158 25.431 6.508 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -50.033 25.826 3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -50.528 27.421 4.365 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -48.525 26.529 6.214 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -47.927 26.156 4.609 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -47.285 28.335 4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -48.981 28.715 4.262 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -49.301 29.243 6.570 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -47.849 28.393 7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -47.181 30.574 7.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -46.673 30.114 5.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -48.100 31.014 5.745 1.00 0.00 H new ATOM 627 N CYS A 39 -52.934 27.085 6.152 1.00 0.00 N ATOM 628 CA CYS A 39 -53.832 28.020 6.808 1.00 0.00 C ATOM 629 C CYS A 39 -54.935 27.218 7.502 1.00 0.00 C ATOM 630 O CYS A 39 -55.284 27.497 8.648 1.00 0.00 O ATOM 631 CB CYS A 39 -54.403 29.042 5.823 1.00 0.00 C ATOM 632 SG CYS A 39 -55.379 28.190 4.532 1.00 0.00 S ATOM 0 H CYS A 39 -53.325 26.621 5.332 1.00 0.00 H new ATOM 0 HA CYS A 39 -53.281 28.598 7.550 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -55.032 29.758 6.353 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -53.593 29.608 5.364 1.00 0.00 H new ATOM 637 N GLY A 40 -55.454 26.237 6.778 1.00 0.00 N ATOM 638 CA GLY A 40 -56.511 25.392 7.310 1.00 0.00 C ATOM 639 C GLY A 40 -57.822 25.613 6.553 1.00 0.00 C ATOM 640 O GLY A 40 -58.903 25.473 7.121 1.00 0.00 O ATOM 0 H GLY A 40 -55.163 26.008 5.828 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -56.216 24.345 7.237 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -56.657 25.609 8.368 1.00 0.00 H new ATOM 644 N LYS A 41 -57.683 25.953 5.279 1.00 0.00 N ATOM 645 CA LYS A 41 -58.842 26.194 4.438 1.00 0.00 C ATOM 646 C LYS A 41 -58.831 25.208 3.267 1.00 0.00 C ATOM 647 O LYS A 41 -57.820 25.064 2.582 1.00 0.00 O ATOM 648 CB LYS A 41 -58.895 27.661 4.006 1.00 0.00 C ATOM 649 CG LYS A 41 -59.993 28.415 4.760 1.00 0.00 C ATOM 650 CD LYS A 41 -60.033 29.886 4.343 1.00 0.00 C ATOM 651 CE LYS A 41 -60.986 30.096 3.165 1.00 0.00 C ATOM 652 NZ LYS A 41 -60.732 31.403 2.518 1.00 0.00 N ATOM 0 H LYS A 41 -56.785 26.067 4.810 1.00 0.00 H new ATOM 0 HA LYS A 41 -59.761 26.017 4.996 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -57.931 28.134 4.192 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -59.078 27.722 2.933 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -60.959 27.951 4.562 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -59.818 28.342 5.833 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -60.351 30.498 5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -59.031 30.217 4.069 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -60.858 29.293 2.439 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -62.018 30.050 3.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -61.388 31.529 1.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -60.877 32.166 3.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -59.753 31.433 2.169 1.00 0.00 H new ATOM 666 N GLU A 42 -59.968 24.555 3.074 1.00 0.00 N ATOM 667 CA GLU A 42 -60.102 23.588 1.999 1.00 0.00 C ATOM 668 C GLU A 42 -60.503 24.290 0.700 1.00 0.00 C ATOM 669 O GLU A 42 -60.974 25.425 0.724 1.00 0.00 O ATOM 670 CB GLU A 42 -61.110 22.496 2.366 1.00 0.00 C ATOM 671 CG GLU A 42 -62.519 23.076 2.505 1.00 0.00 C ATOM 672 CD GLU A 42 -63.090 22.798 3.897 1.00 0.00 C ATOM 673 OE1 GLU A 42 -63.364 21.610 4.171 1.00 0.00 O ATOM 674 OE2 GLU A 42 -63.241 23.781 4.655 1.00 0.00 O ATOM 0 H GLU A 42 -60.805 24.677 3.645 1.00 0.00 H new ATOM 0 HA GLU A 42 -59.135 23.108 1.846 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -61.106 21.720 1.601 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -60.814 22.022 3.302 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -62.493 24.151 2.326 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -63.171 22.642 1.747 1.00 0.00 H new ATOM 681 N GLY A 43 -60.299 23.585 -0.403 1.00 0.00 N ATOM 682 CA GLY A 43 -60.633 24.126 -1.710 1.00 0.00 C ATOM 683 C GLY A 43 -59.380 24.622 -2.434 1.00 0.00 C ATOM 684 O GLY A 43 -59.355 24.690 -3.662 1.00 0.00 O ATOM 0 H GLY A 43 -59.907 22.644 -0.419 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -61.125 23.360 -2.310 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -61.341 24.947 -1.598 1.00 0.00 H new ATOM 688 N HIS A 44 -58.371 24.955 -1.643 1.00 0.00 N ATOM 689 CA HIS A 44 -57.118 25.442 -2.194 1.00 0.00 C ATOM 690 C HIS A 44 -55.946 24.779 -1.470 1.00 0.00 C ATOM 691 O HIS A 44 -56.146 23.897 -0.635 1.00 0.00 O ATOM 692 CB HIS A 44 -57.059 26.971 -2.142 1.00 0.00 C ATOM 693 CG HIS A 44 -56.656 27.524 -0.796 1.00 0.00 C ATOM 694 ND1 HIS A 44 -57.500 27.516 0.301 1.00 0.00 N ATOM 695 CD2 HIS A 44 -55.491 28.099 -0.381 1.00 0.00 C ATOM 696 CE1 HIS A 44 -56.861 28.066 1.324 1.00 0.00 C ATOM 697 NE2 HIS A 44 -55.617 28.427 0.899 1.00 0.00 N ATOM 0 H HIS A 44 -58.396 24.897 -0.625 1.00 0.00 H new ATOM 0 HA HIS A 44 -57.050 25.169 -3.247 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -56.353 27.323 -2.894 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -58.037 27.372 -2.410 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -58.452 27.149 0.319 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -54.614 28.260 -0.991 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -57.257 28.204 2.319 1.00 0.00 H new ATOM 705 N GLN A 45 -54.748 25.228 -1.814 1.00 0.00 N ATOM 706 CA GLN A 45 -53.543 24.689 -1.206 1.00 0.00 C ATOM 707 C GLN A 45 -52.598 25.822 -0.805 1.00 0.00 C ATOM 708 O GLN A 45 -52.836 26.982 -1.138 1.00 0.00 O ATOM 709 CB GLN A 45 -52.848 23.702 -2.147 1.00 0.00 C ATOM 710 CG GLN A 45 -52.049 24.442 -3.223 1.00 0.00 C ATOM 711 CD GLN A 45 -50.630 23.882 -3.333 1.00 0.00 C ATOM 712 OE1 GLN A 45 -49.886 23.814 -2.369 1.00 0.00 O ATOM 713 NE2 GLN A 45 -50.298 23.487 -4.559 1.00 0.00 N ATOM 0 H GLN A 45 -54.586 25.959 -2.506 1.00 0.00 H new ATOM 0 HA GLN A 45 -53.827 24.144 -0.306 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -52.183 23.055 -1.575 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -53.591 23.058 -2.618 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -52.555 24.351 -4.184 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -52.007 25.505 -2.984 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -50.970 23.572 -5.322 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -49.372 23.099 -4.736 1.00 0.00 H new ATOM 722 N MET A 46 -51.545 25.448 -0.093 1.00 0.00 N ATOM 723 CA MET A 46 -50.563 26.419 0.358 1.00 0.00 C ATOM 724 C MET A 46 -50.013 27.229 -0.818 1.00 0.00 C ATOM 725 O MET A 46 -49.925 28.454 -0.747 1.00 0.00 O ATOM 726 CB MET A 46 -49.413 25.694 1.061 1.00 0.00 C ATOM 727 CG MET A 46 -48.396 26.691 1.621 1.00 0.00 C ATOM 728 SD MET A 46 -46.791 26.394 0.901 1.00 0.00 S ATOM 729 CE MET A 46 -45.971 25.616 2.282 1.00 0.00 C ATOM 0 H MET A 46 -51.351 24.485 0.183 1.00 0.00 H new ATOM 0 HA MET A 46 -51.050 27.105 1.051 1.00 0.00 H new ATOM 0 HB2 MET A 46 -49.807 25.078 1.870 1.00 0.00 H new ATOM 0 HB3 MET A 46 -48.920 25.021 0.359 1.00 0.00 H new ATOM 0 HG2 MET A 46 -48.717 27.710 1.406 1.00 0.00 H new ATOM 0 HG3 MET A 46 -48.340 26.596 2.705 1.00 0.00 H new ATOM 0 HE1 MET A 46 -44.939 25.963 2.335 1.00 0.00 H new ATOM 0 HE2 MET A 46 -46.489 25.875 3.206 1.00 0.00 H new ATOM 0 HE3 MET A 46 -45.984 24.534 2.150 1.00 0.00 H new ATOM 739 N LYS A 47 -49.654 26.511 -1.873 1.00 0.00 N ATOM 740 CA LYS A 47 -49.116 27.147 -3.063 1.00 0.00 C ATOM 741 C LYS A 47 -50.163 28.098 -3.646 1.00 0.00 C ATOM 742 O LYS A 47 -49.851 28.915 -4.511 1.00 0.00 O ATOM 743 CB LYS A 47 -48.619 26.095 -4.056 1.00 0.00 C ATOM 744 CG LYS A 47 -47.748 25.048 -3.356 1.00 0.00 C ATOM 745 CD LYS A 47 -46.279 25.206 -3.751 1.00 0.00 C ATOM 746 CE LYS A 47 -45.466 25.814 -2.606 1.00 0.00 C ATOM 747 NZ LYS A 47 -44.018 25.733 -2.899 1.00 0.00 N ATOM 0 H LYS A 47 -49.725 25.495 -1.928 1.00 0.00 H new ATOM 0 HA LYS A 47 -48.243 27.750 -2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -49.470 25.607 -4.530 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -48.047 26.579 -4.848 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -47.851 25.148 -2.275 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -48.093 24.048 -3.618 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -45.865 24.234 -4.020 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -46.202 25.841 -4.634 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -45.756 26.854 -2.459 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -45.685 25.288 -1.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -43.481 26.150 -2.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -43.743 24.737 -3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -43.811 26.255 -3.774 1.00 0.00 H new ATOM 761 N ASP A 48 -51.383 27.959 -3.151 1.00 0.00 N ATOM 762 CA ASP A 48 -52.478 28.795 -3.613 1.00 0.00 C ATOM 763 C ASP A 48 -53.141 29.470 -2.411 1.00 0.00 C ATOM 764 O ASP A 48 -54.308 29.855 -2.475 1.00 0.00 O ATOM 765 CB ASP A 48 -53.540 27.964 -4.334 1.00 0.00 C ATOM 766 CG ASP A 48 -53.276 27.726 -5.822 1.00 0.00 C ATOM 767 OD1 ASP A 48 -53.555 28.660 -6.604 1.00 0.00 O ATOM 768 OD2 ASP A 48 -52.802 26.614 -6.144 1.00 0.00 O ATOM 0 H ASP A 48 -51.638 27.280 -2.434 1.00 0.00 H new ATOM 0 HA ASP A 48 -52.070 29.534 -4.303 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -53.623 26.998 -3.836 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -54.504 28.462 -4.227 1.00 0.00 H new ATOM 773 N CYS A 49 -52.370 29.592 -1.341 1.00 0.00 N ATOM 774 CA CYS A 49 -52.868 30.213 -0.125 1.00 0.00 C ATOM 775 C CYS A 49 -53.141 31.690 -0.417 1.00 0.00 C ATOM 776 O CYS A 49 -52.535 32.270 -1.316 1.00 0.00 O ATOM 777 CB CYS A 49 -51.895 30.032 1.042 1.00 0.00 C ATOM 778 SG CYS A 49 -52.730 30.433 2.620 1.00 0.00 S ATOM 0 H CYS A 49 -51.403 29.271 -1.290 1.00 0.00 H new ATOM 0 HA CYS A 49 -53.794 29.727 0.182 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -51.529 29.006 1.065 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -51.027 30.677 0.906 1.00 0.00 H new ATOM 783 N THR A 50 -54.053 32.255 0.360 1.00 0.00 N ATOM 784 CA THR A 50 -54.413 33.653 0.196 1.00 0.00 C ATOM 785 C THR A 50 -53.684 34.516 1.227 1.00 0.00 C ATOM 786 O THR A 50 -53.519 35.719 1.030 1.00 0.00 O ATOM 787 CB THR A 50 -55.937 33.761 0.281 1.00 0.00 C ATOM 788 OG1 THR A 50 -56.253 33.221 1.561 1.00 0.00 O ATOM 789 CG2 THR A 50 -56.647 32.828 -0.704 1.00 0.00 C ATOM 0 H THR A 50 -54.553 31.770 1.105 1.00 0.00 H new ATOM 0 HA THR A 50 -54.099 34.031 -0.777 1.00 0.00 H new ATOM 0 HB THR A 50 -56.239 34.790 0.087 1.00 0.00 H new ATOM 0 HG1 THR A 50 -57.223 33.254 1.700 1.00 0.00 H new ATOM 0 HG21 THR A 50 -57.726 32.944 -0.602 1.00 0.00 H new ATOM 0 HG22 THR A 50 -56.349 33.079 -1.722 1.00 0.00 H new ATOM 0 HG23 THR A 50 -56.372 31.795 -0.490 1.00 0.00 H new ATOM 797 N GLU A 51 -53.267 33.868 2.304 1.00 0.00 N ATOM 798 CA GLU A 51 -52.559 34.562 3.367 1.00 0.00 C ATOM 799 C GLU A 51 -51.088 34.750 2.991 1.00 0.00 C ATOM 800 O GLU A 51 -50.598 35.876 2.928 1.00 0.00 O ATOM 801 CB GLU A 51 -52.693 33.813 4.694 1.00 0.00 C ATOM 802 CG GLU A 51 -52.916 34.788 5.853 1.00 0.00 C ATOM 803 CD GLU A 51 -51.933 34.516 6.994 1.00 0.00 C ATOM 804 OE1 GLU A 51 -51.849 33.337 7.402 1.00 0.00 O ATOM 805 OE2 GLU A 51 -51.289 35.493 7.434 1.00 0.00 O ATOM 0 H GLU A 51 -53.405 32.870 2.464 1.00 0.00 H new ATOM 0 HA GLU A 51 -53.010 35.546 3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -53.526 33.112 4.638 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -51.794 33.225 4.876 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -52.795 35.812 5.500 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -53.939 34.696 6.219 1.00 0.00 H new ATOM 812 N ARG A 52 -50.424 33.629 2.750 1.00 0.00 N ATOM 813 CA ARG A 52 -49.018 33.656 2.382 1.00 0.00 C ATOM 814 C ARG A 52 -48.787 34.652 1.244 1.00 0.00 C ATOM 815 O ARG A 52 -49.413 34.553 0.190 1.00 0.00 O ATOM 816 CB ARG A 52 -48.537 32.271 1.943 1.00 0.00 C ATOM 817 CG ARG A 52 -47.867 31.531 3.102 1.00 0.00 C ATOM 818 CD ARG A 52 -46.629 30.769 2.624 1.00 0.00 C ATOM 819 NE ARG A 52 -45.477 31.072 3.503 1.00 0.00 N ATOM 820 CZ ARG A 52 -44.196 30.914 3.143 1.00 0.00 C ATOM 821 NH1 ARG A 52 -43.895 30.452 1.921 1.00 0.00 N ATOM 822 NH2 ARG A 52 -43.215 31.214 4.006 1.00 0.00 N ATOM 0 H ARG A 52 -50.833 32.696 2.802 1.00 0.00 H new ATOM 0 HA ARG A 52 -48.451 33.964 3.260 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -49.382 31.689 1.575 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -47.834 32.371 1.116 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -47.583 32.243 3.877 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -48.575 30.835 3.552 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -46.828 29.697 2.628 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -46.395 31.046 1.596 1.00 0.00 H new ATOM 0 HE ARG A 52 -45.670 31.423 4.441 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -44.641 30.221 1.265 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -42.920 30.332 1.647 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -43.444 31.563 4.937 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -42.240 31.094 3.732 1.00 0.00 H new ATOM 836 N GLN A 53 -47.886 35.590 1.496 1.00 0.00 N ATOM 837 CA GLN A 53 -47.564 36.603 0.506 1.00 0.00 C ATOM 838 C GLN A 53 -48.792 37.467 0.211 1.00 0.00 C ATOM 839 O GLN A 53 -49.647 37.086 -0.587 1.00 0.00 O ATOM 840 CB GLN A 53 -47.023 35.966 -0.776 1.00 0.00 C ATOM 841 CG GLN A 53 -45.493 35.974 -0.788 1.00 0.00 C ATOM 842 CD GLN A 53 -44.957 36.185 -2.205 1.00 0.00 C ATOM 843 OE1 GLN A 53 -44.712 37.297 -2.644 1.00 0.00 O ATOM 844 NE2 GLN A 53 -44.789 35.061 -2.894 1.00 0.00 N ATOM 0 H GLN A 53 -47.369 35.670 2.372 1.00 0.00 H new ATOM 0 HA GLN A 53 -46.782 37.243 0.913 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -47.386 34.941 -0.858 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -47.400 36.508 -1.643 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -45.125 36.765 -0.135 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -45.118 35.031 -0.390 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -45.014 34.162 -2.467 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -44.435 35.097 -3.850 1.00 0.00 H new ATOM 853 N ALA A 54 -48.841 38.615 0.872 1.00 0.00 N ATOM 854 CA ALA A 54 -49.951 39.536 0.692 1.00 0.00 C ATOM 855 C ALA A 54 -49.476 40.749 -0.109 1.00 0.00 C ATOM 856 O ALA A 54 -48.274 40.942 -0.298 1.00 0.00 O ATOM 857 CB ALA A 54 -50.519 39.925 2.058 1.00 0.00 C ATOM 0 H ALA A 54 -48.130 38.928 1.533 1.00 0.00 H new ATOM 0 HA ALA A 54 -50.755 39.063 0.128 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -51.351 40.616 1.923 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -50.869 39.031 2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -49.742 40.406 2.652 1.00 0.00 H new ATOM 863 N ASN A 55 -50.442 41.536 -0.560 1.00 0.00 N ATOM 864 CA ASN A 55 -50.137 42.725 -1.337 1.00 0.00 C ATOM 865 C ASN A 55 -49.059 43.538 -0.617 1.00 0.00 C ATOM 866 O ASN A 55 -48.870 43.392 0.590 1.00 0.00 O ATOM 867 CB ASN A 55 -51.373 43.612 -1.494 1.00 0.00 C ATOM 868 CG ASN A 55 -51.436 44.223 -2.895 1.00 0.00 C ATOM 869 OD1 ASN A 55 -50.565 44.026 -3.726 1.00 0.00 O ATOM 870 ND2 ASN A 55 -52.513 44.975 -3.110 1.00 0.00 N ATOM 0 H ASN A 55 -51.436 41.373 -0.402 1.00 0.00 H new ATOM 0 HA ASN A 55 -49.795 42.406 -2.321 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -52.272 43.024 -1.309 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -51.352 44.406 -0.748 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -52.647 45.427 -4.014 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -53.205 45.099 -2.370 1.00 0.00 H new HETATM 877 N NH2 A 56 -48.382 44.376 -1.387 1.00 0.00 N TER 878 NH2 A 56 HETATM 879 OP3 CG1 B 201 -39.045 -10.565 1.655 1.00 0.00 O HETATM 880 P CG1 B 201 -40.353 -11.202 0.990 1.00 0.00 P HETATM 881 OP1 CG1 B 201 -40.845 -12.319 1.829 1.00 0.00 O HETATM 882 OP2 CG1 B 201 -40.099 -11.485 -0.440 1.00 0.00 O HETATM 883 O5' CG1 B 201 -41.418 -10.012 1.077 1.00 0.00 O HETATM 884 C5' CG1 B 201 -42.273 -9.901 2.213 1.00 0.00 C HETATM 885 C4' CG1 B 201 -42.611 -8.450 2.469 1.00 0.00 C HETATM 886 O4' CG1 B 201 -43.872 -8.716 3.080 1.00 0.00 O HETATM 887 C3' CG1 B 201 -43.217 -7.722 1.273 1.00 0.00 C HETATM 888 O3' CG1 B 201 -42.246 -7.631 0.233 1.00 0.00 O HETATM 889 C2' CG1 B 201 -44.395 -8.557 0.856 1.00 0.00 C HETATM 890 O2' CG1 B 201 -43.793 -9.604 0.128 1.00 0.00 O HETATM 891 C1' CG1 B 201 -44.963 -8.947 2.218 1.00 0.00 C HETATM 892 N9 CG1 B 201 -46.139 -8.148 2.617 1.00 0.00 N HETATM 893 C8 CG1 B 201 -46.148 -6.885 3.096 1.00 0.00 C HETATM 894 N7 CG1 B 201 -47.373 -6.447 3.363 1.00 0.00 N HETATM 895 C5 CG1 B 201 -48.180 -7.501 3.030 1.00 0.00 C HETATM 896 C6 CG1 B 201 -49.581 -7.661 3.086 1.00 0.00 C HETATM 897 O6 CG1 B 201 -50.381 -6.810 3.473 1.00 0.00 O HETATM 898 N1 CG1 B 201 -50.092 -8.854 2.676 1.00 0.00 N HETATM 899 C2 CG1 B 201 -49.238 -9.808 2.245 1.00 0.00 C HETATM 900 N2 CG1 B 201 -49.887 -10.911 1.882 1.00 0.00 N HETATM 901 N3 CG1 B 201 -47.895 -9.766 2.151 1.00 0.00 N HETATM 902 C4 CG1 B 201 -47.448 -8.550 2.573 1.00 0.00 C HETATM 906 C CG1 B 201 -38.554 -9.307 1.198 1.00 0.00 C HETATM 0 HO2' CG1 B 201 -42.834 -9.427 0.032 1.00 0.00 H new HETATM 0 HN2A CG1 B 201 -49.368 -11.717 1.534 1.00 0.00 H new HETATM 0 H5'A CG1 B 201 -43.187 -10.472 2.047 1.00 0.00 H new HETATM 0 HN2 CG1 B 201 -50.904 -10.950 1.951 1.00 0.00 H new HETATM 0 HN1 CG1 B 201 -51.098 -9.024 2.694 1.00 0.00 H new HETATM 0 HB CG1 B 201 -38.304 -9.377 0.139 1.00 0.00 H new HETATM 0 HA CG1 B 201 -39.320 -8.544 1.340 1.00 0.00 H new HETATM 0 H8 CG1 B 201 -45.247 -6.290 3.247 1.00 0.00 H new HETATM 0 H5' CG1 B 201 -41.785 -10.329 3.089 1.00 0.00 H new HETATM 0 H4' CG1 B 201 -41.762 -7.913 2.891 1.00 0.00 H new HETATM 0 H3' CG1 B 201 -43.527 -6.703 1.507 1.00 0.00 H new HETATM 0 H2' CG1 B 201 -45.189 -8.138 0.237 1.00 0.00 H new HETATM 0 H1' CG1 B 201 -45.336 -9.971 2.229 1.00 0.00 H new HETATM 0 H CG1 B 201 -37.663 -9.037 1.765 1.00 0.00 H new ATOM 915 P G B 202 -42.560 -6.776 -1.083 1.00 0.00 P ATOM 916 OP1 G B 202 -41.576 -7.105 -2.138 1.00 0.00 O ATOM 917 OP2 G B 202 -42.724 -5.350 -0.722 1.00 0.00 O ATOM 918 O5' G B 202 -43.986 -7.335 -1.543 1.00 0.00 O ATOM 919 C5' G B 202 -44.084 -8.187 -2.684 1.00 0.00 C ATOM 920 C4' G B 202 -45.529 -8.337 -3.098 1.00 0.00 C ATOM 921 O4' G B 202 -46.155 -8.172 -2.069 1.00 0.00 O ATOM 922 C3' G B 202 -46.070 -7.181 -3.933 1.00 0.00 C ATOM 923 O3' G B 202 -45.949 -7.499 -5.319 1.00 0.00 O ATOM 924 C2' G B 202 -47.510 -7.033 -3.525 1.00 0.00 C ATOM 925 O2' G B 202 -48.197 -7.688 -4.567 1.00 0.00 O ATOM 926 C1' G B 202 -47.500 -7.764 -2.186 1.00 0.00 C ATOM 927 N9 G B 202 -47.900 -6.911 -1.046 1.00 0.00 N ATOM 928 C8 G B 202 -47.108 -6.105 -0.308 1.00 0.00 C ATOM 929 N7 G B 202 -47.774 -5.469 0.649 1.00 0.00 N ATOM 930 C5 G B 202 -49.063 -5.907 0.500 1.00 0.00 C ATOM 931 C6 G B 202 -50.243 -5.600 1.211 1.00 0.00 C ATOM 932 O6 G B 202 -50.319 -4.825 2.163 1.00 0.00 O ATOM 933 N1 G B 202 -51.391 -6.211 0.811 1.00 0.00 N ATOM 934 C2 G B 202 -51.336 -7.069 -0.234 1.00 0.00 C ATOM 935 N2 G B 202 -52.535 -7.582 -0.500 1.00 0.00 N ATOM 936 N3 G B 202 -50.276 -7.432 -0.978 1.00 0.00 N ATOM 937 C4 G B 202 -49.163 -6.787 -0.529 1.00 0.00 C ATOM 0 H5' G B 202 -43.660 -9.165 -2.455 1.00 0.00 H new ATOM 0 H5'' G B 202 -43.503 -7.773 -3.508 1.00 0.00 H new ATOM 0 H4' G B 202 -45.611 -9.278 -3.641 1.00 0.00 H new ATOM 0 H3' G B 202 -45.524 -6.251 -3.772 1.00 0.00 H new ATOM 0 H2' G B 202 -47.960 -6.048 -3.400 1.00 0.00 H new ATOM 0 HO2' G B 202 -48.852 -7.076 -4.963 1.00 0.00 H new ATOM 0 H1' G B 202 -48.221 -8.581 -2.161 1.00 0.00 H new ATOM 0 H8 G B 202 -46.048 -5.990 -0.477 1.00 0.00 H new ATOM 0 H1 G B 202 -52.273 -6.026 1.288 1.00 0.00 H new ATOM 0 H21 G B 202 -52.647 -8.247 -1.265 1.00 0.00 H new ATOM 0 H22 G B 202 -53.342 -7.310 0.061 1.00 0.00 H new ATOM 949 P C B 203 -45.418 -6.398 -6.350 1.00 0.00 P ATOM 950 OP1 C B 203 -45.131 -7.034 -7.655 1.00 0.00 O ATOM 951 OP2 C B 203 -44.335 -5.608 -5.723 1.00 0.00 O ATOM 952 O5' C B 203 -46.686 -5.439 -6.536 1.00 0.00 O ATOM 953 C5' C B 203 -47.750 -5.823 -7.404 1.00 0.00 C ATOM 954 C4' C B 203 -49.082 -5.485 -6.775 1.00 0.00 C ATOM 955 O4' C B 203 -48.852 -5.302 -5.409 1.00 0.00 O ATOM 956 C3' C B 203 -49.524 -4.038 -6.976 1.00 0.00 C ATOM 957 O3' C B 203 -50.157 -3.908 -8.248 1.00 0.00 O ATOM 958 C2' C B 203 -50.482 -3.755 -5.853 1.00 0.00 C ATOM 959 O2' C B 203 -51.737 -4.002 -6.445 1.00 0.00 O ATOM 960 C1' C B 203 -50.027 -4.789 -4.825 1.00 0.00 C ATOM 961 N1 C B 203 -49.754 -4.213 -3.492 1.00 0.00 N ATOM 962 C2 C B 203 -50.817 -4.121 -2.594 1.00 0.00 C ATOM 963 O2 C B 203 -51.930 -4.522 -2.953 1.00 0.00 O ATOM 964 N3 C B 203 -50.593 -3.600 -1.375 1.00 0.00 N ATOM 965 C4 C B 203 -49.399 -3.178 -1.009 1.00 0.00 C ATOM 966 N4 C B 203 -49.199 -2.667 0.199 1.00 0.00 N ATOM 967 C5 C B 203 -48.281 -3.262 -1.919 1.00 0.00 C ATOM 968 C6 C B 203 -48.520 -3.782 -3.132 1.00 0.00 C ATOM 0 H5' C B 203 -47.696 -6.893 -7.607 1.00 0.00 H new ATOM 0 H5'' C B 203 -47.651 -5.312 -8.361 1.00 0.00 H new ATOM 0 H4' C B 203 -49.758 -6.249 -7.159 1.00 0.00 H new ATOM 0 H3' C B 203 -48.691 -3.335 -6.963 1.00 0.00 H new ATOM 0 H2' C B 203 -50.524 -2.771 -5.386 1.00 0.00 H new ATOM 0 HO2' C B 203 -51.614 -4.521 -7.267 1.00 0.00 H new ATOM 0 H1' C B 203 -50.795 -5.537 -4.628 1.00 0.00 H new ATOM 0 H41 C B 203 -48.270 -2.344 0.469 1.00 0.00 H new ATOM 0 H42 C B 203 -49.975 -2.597 0.858 1.00 0.00 H new ATOM 0 H5 C B 203 -47.296 -2.921 -1.635 1.00 0.00 H new ATOM 0 H6 C B 203 -47.708 -3.859 -3.840 1.00 0.00 H new ATOM 980 P G B 204 -49.770 -2.692 -9.213 1.00 0.00 P ATOM 981 OP1 G B 204 -49.564 -3.194 -10.590 1.00 0.00 O ATOM 982 OP2 G B 204 -48.676 -1.902 -8.605 1.00 0.00 O ATOM 983 O5' G B 204 -51.092 -1.792 -9.208 1.00 0.00 O ATOM 984 C5' G B 204 -52.367 -2.400 -9.009 1.00 0.00 C ATOM 985 C4' G B 204 -53.260 -1.485 -8.204 1.00 0.00 C ATOM 986 O4' G B 204 -53.505 -1.518 -7.127 1.00 0.00 O ATOM 987 C3' G B 204 -53.180 -0.014 -8.604 1.00 0.00 C ATOM 988 O3' G B 204 -54.024 0.217 -9.731 1.00 0.00 O ATOM 989 C2' G B 204 -53.647 0.752 -7.398 1.00 0.00 C ATOM 990 O2' G B 204 -54.914 1.222 -7.801 1.00 0.00 O ATOM 991 C1' G B 204 -53.662 -0.353 -6.348 1.00 0.00 C ATOM 992 N9 G B 204 -52.581 -0.232 -5.347 1.00 0.00 N ATOM 993 C8 G B 204 -51.286 -0.584 -5.493 1.00 0.00 C ATOM 994 N7 G B 204 -50.565 -0.345 -4.403 1.00 0.00 N ATOM 995 C5 G B 204 -51.465 0.191 -3.522 1.00 0.00 C ATOM 996 C6 G B 204 -51.318 0.650 -2.196 1.00 0.00 C ATOM 997 O6 G B 204 -50.269 0.647 -1.555 1.00 0.00 O ATOM 998 N1 G B 204 -52.426 1.136 -1.574 1.00 0.00 N ATOM 999 C2 G B 204 -53.593 1.152 -2.257 1.00 0.00 C ATOM 1000 N2 G B 204 -54.579 1.655 -1.516 1.00 0.00 N ATOM 1001 N3 G B 204 -53.848 0.744 -3.513 1.00 0.00 N ATOM 1002 C4 G B 204 -52.703 0.269 -4.078 1.00 0.00 C ATOM 0 H5' G B 204 -52.248 -3.352 -8.491 1.00 0.00 H new ATOM 0 H5'' G B 204 -52.829 -2.617 -9.972 1.00 0.00 H new ATOM 0 H4' G B 204 -54.075 -2.119 -8.552 1.00 0.00 H new ATOM 0 H3' G B 204 -52.175 0.294 -8.893 1.00 0.00 H new ATOM 0 H2' G B 204 -53.082 1.604 -7.020 1.00 0.00 H new ATOM 0 HO2' G B 204 -55.183 1.970 -7.228 1.00 0.00 H new ATOM 0 H1' G B 204 -54.571 -0.332 -5.747 1.00 0.00 H new ATOM 0 H8 G B 204 -50.880 -1.013 -6.397 1.00 0.00 H new ATOM 0 H1 G B 204 -52.378 1.480 -0.615 1.00 0.00 H new ATOM 0 H21 G B 204 -55.520 1.729 -1.902 1.00 0.00 H new ATOM 0 H22 G B 204 -54.393 1.966 -0.563 1.00 0.00 H new ATOM 1014 P A B 205 -53.637 1.339 -10.804 1.00 0.00 P ATOM 1015 OP1 A B 205 -54.702 1.440 -11.826 1.00 0.00 O ATOM 1016 OP2 A B 205 -52.253 1.118 -11.279 1.00 0.00 O ATOM 1017 O5' A B 205 -53.653 2.685 -9.938 1.00 0.00 O ATOM 1018 C5' A B 205 -54.894 3.265 -9.544 1.00 0.00 C ATOM 1019 C4' A B 205 -54.734 3.990 -8.228 1.00 0.00 C ATOM 1020 O4' A B 205 -54.059 3.414 -7.274 1.00 0.00 O ATOM 1021 C3' A B 205 -53.876 5.251 -8.303 1.00 0.00 C ATOM 1022 O3' A B 205 -54.601 6.279 -8.972 1.00 0.00 O ATOM 1023 C2' A B 205 -53.585 5.619 -6.875 1.00 0.00 C ATOM 1024 O2' A B 205 -54.579 6.579 -6.594 1.00 0.00 O ATOM 1025 C1' A B 205 -53.766 4.267 -6.191 1.00 0.00 C ATOM 1026 N9 A B 205 -52.565 3.811 -5.459 1.00 0.00 N ATOM 1027 C8 A B 205 -51.505 3.142 -5.961 1.00 0.00 C ATOM 1028 N7 A B 205 -50.584 2.877 -5.040 1.00 0.00 N ATOM 1029 C5 A B 205 -51.102 3.414 -3.892 1.00 0.00 C ATOM 1030 C6 A B 205 -50.603 3.459 -2.574 1.00 0.00 C ATOM 1031 N6 A B 205 -49.414 2.932 -2.182 1.00 0.00 N ATOM 1032 N1 A B 205 -51.370 4.078 -1.635 1.00 0.00 N ATOM 1033 C2 A B 205 -52.554 4.607 -2.015 1.00 0.00 C ATOM 1034 N3 A B 205 -53.125 4.621 -3.235 1.00 0.00 N ATOM 1035 C4 A B 205 -52.310 3.989 -4.125 1.00 0.00 C ATOM 0 H5' A B 205 -55.654 2.489 -9.450 1.00 0.00 H new ATOM 0 H5'' A B 205 -55.240 3.959 -10.310 1.00 0.00 H new ATOM 0 H4' A B 205 -55.799 4.095 -8.023 1.00 0.00 H new ATOM 0 H3' A B 205 -52.952 5.103 -8.861 1.00 0.00 H new ATOM 0 H2' A B 205 -52.623 6.045 -6.589 1.00 0.00 H new ATOM 0 HO2' A B 205 -55.111 6.745 -7.400 1.00 0.00 H new ATOM 0 H1' A B 205 -54.537 4.296 -5.421 1.00 0.00 H new ATOM 0 H8 A B 205 -51.415 2.854 -6.998 1.00 0.00 H new ATOM 0 H61 A B 205 -49.120 3.004 -1.208 1.00 0.00 H new ATOM 0 H62 A B 205 -48.815 2.464 -2.862 1.00 0.00 H new ATOM 0 H2 A B 205 -53.122 5.086 -1.231 1.00 0.00 H new ATOM 1047 P C B 206 -53.917 7.094 -10.168 1.00 0.00 P ATOM 1048 OP1 C B 206 -54.947 7.491 -11.153 1.00 0.00 O ATOM 1049 OP2 C B 206 -52.743 6.347 -10.670 1.00 0.00 O ATOM 1050 O5' C B 206 -53.389 8.419 -9.443 1.00 0.00 O ATOM 1051 C5' C B 206 -54.245 9.140 -8.560 1.00 0.00 C ATOM 1052 C4' C B 206 -53.587 9.294 -7.208 1.00 0.00 C ATOM 1053 O4' C B 206 -52.849 8.148 -7.125 1.00 0.00 O ATOM 1054 C3' C B 206 -52.372 10.217 -7.200 1.00 0.00 C ATOM 1055 O3' C B 206 -52.791 11.550 -6.914 1.00 0.00 O ATOM 1056 C2' C B 206 -51.471 9.679 -6.124 1.00 0.00 C ATOM 1057 O2' C B 206 -51.968 10.304 -4.962 1.00 0.00 O ATOM 1058 C1' C B 206 -51.755 8.184 -6.237 1.00 0.00 C ATOM 1059 N1 C B 206 -50.614 7.405 -6.764 1.00 0.00 N ATOM 1060 C2 C B 206 -49.765 6.794 -5.843 1.00 0.00 C ATOM 1061 O2 C B 206 -50.005 6.930 -4.637 1.00 0.00 O ATOM 1062 N3 C B 206 -48.721 6.080 -6.298 1.00 0.00 N ATOM 1063 C4 C B 206 -48.480 5.945 -7.586 1.00 0.00 C ATOM 1064 N4 C B 206 -47.444 5.237 -8.016 1.00 0.00 N ATOM 1065 C5 C B 206 -49.345 6.568 -8.563 1.00 0.00 C ATOM 1066 C6 C B 206 -50.381 7.277 -8.094 1.00 0.00 C ATOM 0 H5' C B 206 -55.195 8.616 -8.453 1.00 0.00 H new ATOM 0 H5'' C B 206 -54.468 10.122 -8.978 1.00 0.00 H new ATOM 0 H4' C B 206 -54.361 9.583 -6.497 1.00 0.00 H new ATOM 0 H3' C B 206 -51.855 10.247 -8.159 1.00 0.00 H new ATOM 0 H2' C B 206 -50.395 9.848 -6.156 1.00 0.00 H new ATOM 0 HO2' C B 206 -51.520 11.167 -4.838 1.00 0.00 H new ATOM 0 H1' C B 206 -51.948 7.729 -5.266 1.00 0.00 H new ATOM 0 H41 C B 206 -47.271 5.142 -9.017 1.00 0.00 H new ATOM 0 H42 C B 206 -46.820 4.787 -7.346 1.00 0.00 H new ATOM 0 H5 C B 206 -49.164 6.467 -9.623 1.00 0.00 H new ATOM 0 H6 C B 206 -51.048 7.759 -8.793 1.00 0.00 H new ATOM 1078 P U B 207 -52.448 12.733 -7.935 1.00 0.00 P ATOM 1079 OP1 U B 207 -53.700 13.285 -8.498 1.00 0.00 O ATOM 1080 OP2 U B 207 -51.411 12.282 -8.890 1.00 0.00 O ATOM 1081 O5' U B 207 -51.798 13.848 -6.989 1.00 0.00 O ATOM 1082 C5' U B 207 -52.277 14.020 -5.658 1.00 0.00 C ATOM 1083 C4' U B 207 -51.135 13.902 -4.674 1.00 0.00 C ATOM 1084 O4' U B 207 -50.558 12.647 -4.884 1.00 0.00 O ATOM 1085 C3' U B 207 -49.872 14.656 -5.082 1.00 0.00 C ATOM 1086 O3' U B 207 -49.979 16.017 -4.670 1.00 0.00 O ATOM 1087 C2' U B 207 -48.745 13.953 -4.378 1.00 0.00 C ATOM 1088 O2' U B 207 -48.770 14.535 -3.094 1.00 0.00 O ATOM 1089 C1' U B 207 -49.223 12.506 -4.450 1.00 0.00 C ATOM 1090 N1 U B 207 -48.443 11.673 -5.389 1.00 0.00 N ATOM 1091 C2 U B 207 -47.436 10.935 -4.847 1.00 0.00 C ATOM 1092 O2 U B 207 -47.162 10.934 -3.657 1.00 0.00 O ATOM 1093 N3 U B 207 -46.707 10.158 -5.720 1.00 0.00 N ATOM 1094 C4 U B 207 -46.950 10.102 -7.069 1.00 0.00 C ATOM 1095 O4 U B 207 -46.234 9.372 -7.754 1.00 0.00 O ATOM 1096 C5 U B 207 -48.012 10.892 -7.583 1.00 0.00 C ATOM 1097 C6 U B 207 -48.704 11.637 -6.719 1.00 0.00 C ATOM 0 H5' U B 207 -53.036 13.270 -5.437 1.00 0.00 H new ATOM 0 H5'' U B 207 -52.754 14.995 -5.558 1.00 0.00 H new ATOM 0 H4' U B 207 -51.569 14.194 -3.718 1.00 0.00 H new ATOM 0 H3' U B 207 -49.711 14.664 -6.160 1.00 0.00 H new ATOM 0 H2' U B 207 -47.723 14.017 -4.752 1.00 0.00 H new ATOM 0 HO2' U B 207 -49.399 15.287 -3.088 1.00 0.00 H new ATOM 0 H1' U B 207 -49.111 11.990 -3.496 1.00 0.00 H new ATOM 0 H3 U B 207 -45.945 9.594 -5.343 1.00 0.00 H new ATOM 0 H5 U B 207 -48.251 10.890 -8.636 1.00 0.00 H new ATOM 0 H6 U B 207 -49.514 12.243 -7.099 1.00 0.00 H new ATOM 1108 P G B 208 -49.152 17.152 -5.437 1.00 0.00 P ATOM 1109 OP1 G B 208 -49.380 18.461 -4.786 1.00 0.00 O ATOM 1110 OP2 G B 208 -49.409 17.059 -6.891 1.00 0.00 O ATOM 1111 O5' G B 208 -47.631 16.728 -5.176 1.00 0.00 O ATOM 1112 C5' G B 208 -47.052 16.910 -3.885 1.00 0.00 C ATOM 1113 C4' G B 208 -45.666 16.307 -3.848 1.00 0.00 C ATOM 1114 O4' G B 208 -45.807 15.309 -4.521 1.00 0.00 O ATOM 1115 C3' G B 208 -44.629 17.057 -4.680 1.00 0.00 C ATOM 1116 O3' G B 208 -43.883 17.929 -3.834 1.00 0.00 O ATOM 1117 C2' G B 208 -43.757 15.990 -5.280 1.00 0.00 C ATOM 1118 O2' G B 208 -42.630 15.998 -4.432 1.00 0.00 O ATOM 1119 C1' G B 208 -44.666 14.771 -5.150 1.00 0.00 C ATOM 1120 N9 G B 208 -45.013 14.153 -6.448 1.00 0.00 N ATOM 1121 C8 G B 208 -45.998 14.522 -7.293 1.00 0.00 C ATOM 1122 N7 G B 208 -46.050 13.761 -8.382 1.00 0.00 N ATOM 1123 C5 G B 208 -45.034 12.862 -8.203 1.00 0.00 C ATOM 1124 C6 G B 208 -44.576 11.796 -9.007 1.00 0.00 C ATOM 1125 O6 G B 208 -45.051 11.467 -10.093 1.00 0.00 O ATOM 1126 N1 G B 208 -43.522 11.071 -8.545 1.00 0.00 N ATOM 1127 C2 G B 208 -42.978 11.410 -7.354 1.00 0.00 C ATOM 1128 N2 G B 208 -41.961 10.609 -7.042 1.00 0.00 N ATOM 1129 N3 G B 208 -43.330 12.398 -6.511 1.00 0.00 N ATOM 1130 C4 G B 208 -44.386 13.083 -7.029 1.00 0.00 C ATOM 0 H5' G B 208 -47.681 16.443 -3.127 1.00 0.00 H new ATOM 0 H5'' G B 208 -47.001 17.972 -3.647 1.00 0.00 H new ATOM 0 H4' G B 208 -45.340 16.245 -2.810 1.00 0.00 H new ATOM 0 H3' G B 208 -45.075 17.677 -5.458 1.00 0.00 H new ATOM 0 H2' G B 208 -43.401 16.069 -6.307 1.00 0.00 H new ATOM 0 HO2' G B 208 -42.799 16.589 -3.669 1.00 0.00 H new ATOM 0 H1' G B 208 -44.189 13.960 -4.600 1.00 0.00 H new ATOM 0 H8 G B 208 -46.671 15.346 -7.105 1.00 0.00 H new ATOM 0 H1 G B 208 -43.150 10.289 -9.085 1.00 0.00 H new ATOM 0 H21 G B 208 -41.453 10.747 -6.168 1.00 0.00 H new ATOM 0 H22 G B 208 -41.690 9.858 -7.677 1.00 0.00 H new ATOM 1142 P G B 209 -43.649 19.452 -4.264 1.00 0.00 P ATOM 1143 OP1 G B 209 -44.195 19.678 -5.621 1.00 0.00 O ATOM 1144 OP2 G B 209 -42.236 19.825 -4.025 1.00 0.00 O ATOM 1145 O5' G B 209 -44.556 20.263 -3.225 1.00 0.00 O ATOM 1146 C5' G B 209 -44.082 20.504 -1.902 1.00 0.00 C ATOM 1147 C4' G B 209 -45.029 19.895 -0.892 1.00 0.00 C ATOM 1148 O4' G B 209 -45.788 20.024 0.279 1.00 0.00 O ATOM 1149 C3' G B 209 -45.676 18.588 -1.342 1.00 0.00 C ATOM 1150 O3' G B 209 -45.122 17.505 -0.599 1.00 0.00 O ATOM 1151 C2' G B 209 -47.144 18.755 -1.063 1.00 0.00 C ATOM 1152 O2' G B 209 -47.600 17.423 -0.996 1.00 0.00 O ATOM 1153 C1' G B 209 -47.097 19.500 0.269 1.00 0.00 C ATOM 1154 N9 G B 209 -48.104 20.576 0.378 1.00 0.00 N ATOM 1155 C8 G B 209 -47.957 21.874 0.037 1.00 0.00 C ATOM 1156 N7 G B 209 -49.055 22.589 0.259 1.00 0.00 N ATOM 1157 C5 G B 209 -49.943 21.681 0.769 1.00 0.00 C ATOM 1158 C6 G B 209 -51.278 21.819 1.201 1.00 0.00 C ATOM 1159 O6 G B 209 -51.925 22.865 1.192 1.00 0.00 O ATOM 1160 N1 G B 209 -51.906 20.705 1.667 1.00 0.00 N ATOM 1161 C2 G B 209 -51.219 19.540 1.689 1.00 0.00 C ATOM 1162 N2 G B 209 -51.965 18.547 2.168 1.00 0.00 N ATOM 1163 N3 G B 209 -49.953 19.294 1.304 1.00 0.00 N ATOM 1164 C4 G B 209 -49.384 20.444 0.851 1.00 0.00 C ATOM 0 H5' G B 209 -43.994 21.576 -1.729 1.00 0.00 H new ATOM 0 H5'' G B 209 -43.086 20.078 -1.781 1.00 0.00 H new ATOM 0 H4' G B 209 -44.306 20.665 -0.622 1.00 0.00 H new ATOM 0 H3' G B 209 -45.504 18.370 -2.396 1.00 0.00 H new ATOM 0 H2' G B 209 -47.790 19.292 -1.757 1.00 0.00 H new ATOM 0 HO2' G B 209 -47.174 16.969 -0.239 1.00 0.00 H new ATOM 0 H1' G B 209 -47.327 18.848 1.112 1.00 0.00 H new ATOM 0 H8 G B 209 -47.046 22.286 -0.372 1.00 0.00 H new ATOM 0 H1 G B 209 -52.872 20.748 1.992 1.00 0.00 H new ATOM 0 H21 G B 209 -51.576 17.607 2.243 1.00 0.00 H new ATOM 0 H22 G B 209 -52.926 18.726 2.460 1.00 0.00 H new ATOM 1176 P U B 210 -43.559 17.177 -0.708 1.00 0.00 P ATOM 1177 OP1 U B 210 -42.772 18.386 -0.376 1.00 0.00 O ATOM 1178 OP2 U B 210 -43.278 16.511 -2.000 1.00 0.00 O ATOM 1179 O5' U B 210 -43.334 16.105 0.459 1.00 0.00 O ATOM 1180 C5' U B 210 -42.033 15.574 0.698 1.00 0.00 C ATOM 1181 C4' U B 210 -42.069 14.064 0.638 1.00 0.00 C ATOM 1182 O4' U B 210 -43.277 13.546 1.127 1.00 0.00 O ATOM 1183 C3' U B 210 -42.123 13.490 -0.775 1.00 0.00 C ATOM 1184 O3' U B 210 -41.571 12.176 -0.775 1.00 0.00 O ATOM 1185 C2' U B 210 -43.582 13.476 -1.142 1.00 0.00 C ATOM 1186 O2' U B 210 -43.634 12.511 -2.168 1.00 0.00 O ATOM 1187 C1' U B 210 -44.205 13.056 0.186 1.00 0.00 C ATOM 1188 N1 U B 210 -45.549 13.627 0.413 1.00 0.00 N ATOM 1189 C2 U B 210 -46.583 13.005 -0.216 1.00 0.00 C ATOM 1190 O2 U B 210 -46.449 12.027 -0.936 1.00 0.00 O ATOM 1191 N3 U B 210 -47.836 13.535 -0.006 1.00 0.00 N ATOM 1192 C4 U B 210 -48.074 14.629 0.787 1.00 0.00 C ATOM 1193 O4 U B 210 -49.236 15.017 0.903 1.00 0.00 O ATOM 1194 C5 U B 210 -46.960 15.240 1.420 1.00 0.00 C ATOM 1195 C6 U B 210 -45.754 14.710 1.202 1.00 0.00 C ATOM 0 H5' U B 210 -41.673 15.898 1.674 1.00 0.00 H new ATOM 0 H5'' U B 210 -41.333 15.959 -0.044 1.00 0.00 H new ATOM 0 H4' U B 210 -41.168 13.802 1.193 1.00 0.00 H new ATOM 0 H3' U B 210 -41.547 14.074 -1.493 1.00 0.00 H new ATOM 0 H2' U B 210 -44.078 14.375 -1.507 1.00 0.00 H new ATOM 0 HO2' U B 210 -42.885 11.887 -2.069 1.00 0.00 H new ATOM 0 H1' U B 210 -44.373 11.980 0.238 1.00 0.00 H new ATOM 0 H3 U B 210 -48.631 13.090 -0.465 1.00 0.00 H new ATOM 0 H5 U B 210 -47.084 16.104 2.056 1.00 0.00 H new ATOM 0 H6 U B 210 -44.899 15.167 1.678 1.00 0.00 H new ATOM 1206 P G B 211 -40.168 11.897 -1.492 1.00 0.00 P ATOM 1207 OP1 G B 211 -39.562 13.179 -1.914 1.00 0.00 O ATOM 1208 OP2 G B 211 -40.336 10.848 -2.524 1.00 0.00 O ATOM 1209 O5' G B 211 -39.275 11.291 -0.312 1.00 0.00 O ATOM 1210 C5' G B 211 -39.892 10.849 0.895 1.00 0.00 C ATOM 1211 C4' G B 211 -38.896 10.087 1.739 1.00 0.00 C ATOM 1212 O4' G B 211 -38.955 10.614 2.745 1.00 0.00 O ATOM 1213 C3' G B 211 -39.260 8.625 1.979 1.00 0.00 C ATOM 1214 O3' G B 211 -38.244 7.787 1.430 1.00 0.00 O ATOM 1215 C2' G B 211 -39.350 8.478 3.472 1.00 0.00 C ATOM 1216 O2' G B 211 -38.153 7.801 3.790 1.00 0.00 O ATOM 1217 C1' G B 211 -39.408 9.941 3.899 1.00 0.00 C ATOM 1218 N9 G B 211 -40.764 10.390 4.281 1.00 0.00 N ATOM 1219 C8 G B 211 -41.786 10.704 3.457 1.00 0.00 C ATOM 1220 N7 G B 211 -42.880 11.073 4.115 1.00 0.00 N ATOM 1221 C5 G B 211 -42.517 10.984 5.433 1.00 0.00 C ATOM 1222 C6 G B 211 -43.235 11.244 6.620 1.00 0.00 C ATOM 1223 O6 G B 211 -44.403 11.623 6.677 1.00 0.00 O ATOM 1224 N1 G B 211 -42.582 11.057 7.799 1.00 0.00 N ATOM 1225 C2 G B 211 -41.297 10.639 7.766 1.00 0.00 C ATOM 1226 N2 G B 211 -40.801 10.505 8.995 1.00 0.00 N ATOM 1227 N3 G B 211 -40.520 10.363 6.702 1.00 0.00 N ATOM 1228 C4 G B 211 -41.229 10.569 5.557 1.00 0.00 C ATOM 0 H5' G B 211 -40.746 10.213 0.664 1.00 0.00 H new ATOM 0 H5'' G B 211 -40.273 11.705 1.452 1.00 0.00 H new ATOM 0 H4' G B 211 -37.925 10.078 1.244 1.00 0.00 H new ATOM 0 H3' G B 211 -40.198 8.337 1.504 1.00 0.00 H new ATOM 0 H2' G B 211 -40.173 7.932 3.934 1.00 0.00 H new ATOM 0 HO2' G B 211 -37.432 8.453 3.913 1.00 0.00 H new ATOM 0 H1' G B 211 -38.814 10.131 4.793 1.00 0.00 H new ATOM 0 H8 G B 211 -41.722 10.660 2.380 1.00 0.00 H new ATOM 0 H1 G B 211 -43.052 11.228 8.688 1.00 0.00 H new ATOM 0 H21 G B 211 -39.838 10.195 9.125 1.00 0.00 H new ATOM 0 H22 G B 211 -41.384 10.712 9.806 1.00 0.00 H new ATOM 1240 P A B 212 -36.702 8.157 1.642 1.00 0.00 P ATOM 1241 OP1 A B 212 -35.914 6.917 1.829 1.00 0.00 O ATOM 1242 OP2 A B 212 -36.578 9.206 2.677 1.00 0.00 O ATOM 1243 O5' A B 212 -36.289 8.798 0.236 1.00 0.00 O ATOM 1244 C5' A B 212 -36.362 8.015 -0.954 1.00 0.00 C ATOM 1245 C4' A B 212 -37.797 7.901 -1.414 1.00 0.00 C ATOM 1246 O4' A B 212 -38.507 8.386 -2.526 1.00 0.00 O ATOM 1247 C3' A B 212 -38.268 6.471 -1.663 1.00 0.00 C ATOM 1248 O3' A B 212 -37.961 5.666 -0.526 1.00 0.00 O ATOM 1249 C2' A B 212 -39.752 6.573 -1.882 1.00 0.00 C ATOM 1250 O2' A B 212 -40.269 6.411 -0.581 1.00 0.00 O ATOM 1251 C1' A B 212 -39.856 7.982 -2.459 1.00 0.00 C ATOM 1252 N9 A B 212 -40.494 8.026 -3.792 1.00 0.00 N ATOM 1253 C8 A B 212 -39.921 7.760 -4.985 1.00 0.00 C ATOM 1254 N7 A B 212 -40.767 7.890 -6.000 1.00 0.00 N ATOM 1255 C5 A B 212 -41.942 8.262 -5.405 1.00 0.00 C ATOM 1256 C6 A B 212 -43.214 8.552 -5.944 1.00 0.00 C ATOM 1257 N6 A B 212 -43.516 8.508 -7.267 1.00 0.00 N ATOM 1258 N1 A B 212 -44.199 8.899 -5.072 1.00 0.00 N ATOM 1259 C2 A B 212 -43.908 8.946 -3.753 1.00 0.00 C ATOM 1260 N3 A B 212 -42.740 8.692 -3.133 1.00 0.00 N ATOM 1261 C4 A B 212 -41.799 8.351 -4.057 1.00 0.00 C ATOM 0 H5' A B 212 -35.951 7.022 -0.771 1.00 0.00 H new ATOM 0 H5'' A B 212 -35.756 8.472 -1.737 1.00 0.00 H new ATOM 0 H4' A B 212 -37.973 8.570 -0.572 1.00 0.00 H new ATOM 0 H3' A B 212 -37.780 6.007 -2.520 1.00 0.00 H new ATOM 0 H2' A B 212 -40.274 5.873 -2.535 1.00 0.00 H new ATOM 0 HO2' A B 212 -39.561 6.089 0.015 1.00 0.00 H new ATOM 0 H1' A B 212 -40.488 8.629 -1.851 1.00 0.00 H new ATOM 0 H8 A B 212 -38.886 7.473 -5.101 1.00 0.00 H new ATOM 0 H61 A B 212 -44.460 8.731 -7.582 1.00 0.00 H new ATOM 0 H62 A B 212 -42.799 8.252 -7.946 1.00 0.00 H new ATOM 0 H2 A B 212 -44.726 9.226 -3.106 1.00 0.00 H new ATOM 1273 P G B 213 -37.795 4.083 -0.687 1.00 0.00 P ATOM 1274 OP1 G B 213 -37.139 3.525 0.516 1.00 0.00 O ATOM 1275 OP2 G B 213 -37.187 3.777 -2.002 1.00 0.00 O ATOM 1276 O5' G B 213 -39.309 3.563 -0.711 1.00 0.00 O ATOM 1277 C5' G B 213 -40.026 3.403 0.511 1.00 0.00 C ATOM 1278 C4' G B 213 -41.484 3.748 0.306 1.00 0.00 C ATOM 1279 O4' G B 213 -41.963 4.357 -0.469 1.00 0.00 O ATOM 1280 C3' G B 213 -42.450 2.608 0.617 1.00 0.00 C ATOM 1281 O3' G B 213 -42.551 2.442 2.030 1.00 0.00 O ATOM 1282 C2' G B 213 -43.763 3.025 0.015 1.00 0.00 C ATOM 1283 O2' G B 213 -44.551 3.301 1.151 1.00 0.00 O ATOM 1284 C1' G B 213 -43.330 4.245 -0.794 1.00 0.00 C ATOM 1285 N9 G B 213 -43.522 4.084 -2.250 1.00 0.00 N ATOM 1286 C8 G B 213 -42.693 3.473 -3.123 1.00 0.00 C ATOM 1287 N7 G B 213 -43.154 3.498 -4.370 1.00 0.00 N ATOM 1288 C5 G B 213 -44.344 4.166 -4.268 1.00 0.00 C ATOM 1289 C6 G B 213 -45.308 4.515 -5.238 1.00 0.00 C ATOM 1290 O6 G B 213 -45.234 4.257 -6.439 1.00 0.00 O ATOM 1291 N1 G B 213 -46.407 5.194 -4.813 1.00 0.00 N ATOM 1292 C2 G B 213 -46.514 5.491 -3.499 1.00 0.00 C ATOM 1293 N2 G B 213 -47.641 6.152 -3.242 1.00 0.00 N ATOM 1294 N3 G B 213 -45.665 5.210 -2.493 1.00 0.00 N ATOM 1295 C4 G B 213 -44.589 4.534 -2.983 1.00 0.00 C ATOM 0 H5' G B 213 -39.597 4.045 1.280 1.00 0.00 H new ATOM 0 H5'' G B 213 -39.933 2.376 0.865 1.00 0.00 H new ATOM 0 H4' G B 213 -41.281 4.553 1.012 1.00 0.00 H new ATOM 0 H3' G B 213 -42.122 1.652 0.210 1.00 0.00 H new ATOM 0 H2' G B 213 -44.328 2.347 -0.624 1.00 0.00 H new ATOM 0 HO2' G B 213 -44.030 3.122 1.962 1.00 0.00 H new ATOM 0 H1' G B 213 -43.923 5.128 -0.554 1.00 0.00 H new ATOM 0 H8 G B 213 -41.757 3.014 -2.839 1.00 0.00 H new ATOM 0 H1 G B 213 -47.134 5.473 -5.471 1.00 0.00 H new ATOM 0 H21 G B 213 -47.856 6.442 -2.288 1.00 0.00 H new ATOM 0 H22 G B 213 -48.289 6.368 -3.999 1.00 0.00 H new ATOM 1307 P U B 214 -42.126 1.055 2.705 1.00 0.00 P ATOM 1308 OP1 U B 214 -40.716 1.128 3.149 1.00 0.00 O ATOM 1309 OP2 U B 214 -42.506 -0.068 1.818 1.00 0.00 O ATOM 1310 O5' U B 214 -43.053 0.992 4.008 1.00 0.00 O ATOM 1311 C5' U B 214 -43.995 -0.068 4.161 1.00 0.00 C ATOM 1312 C4' U B 214 -45.291 0.285 3.465 1.00 0.00 C ATOM 1313 O4' U B 214 -45.750 1.063 2.752 1.00 0.00 O ATOM 1314 C3' U B 214 -46.376 -0.782 3.575 1.00 0.00 C ATOM 1315 O3' U B 214 -47.194 -0.511 4.711 1.00 0.00 O ATOM 1316 C2' U B 214 -47.160 -0.685 2.295 1.00 0.00 C ATOM 1317 O2' U B 214 -48.495 -0.755 2.744 1.00 0.00 O ATOM 1318 C1' U B 214 -46.710 0.684 1.790 1.00 0.00 C ATOM 1319 N1 U B 214 -46.122 0.646 0.435 1.00 0.00 N ATOM 1320 C2 U B 214 -46.804 1.312 -0.537 1.00 0.00 C ATOM 1321 O2 U B 214 -47.846 1.918 -0.340 1.00 0.00 O ATOM 1322 N3 U B 214 -46.258 1.279 -1.801 1.00 0.00 N ATOM 1323 C4 U B 214 -45.093 0.623 -2.108 1.00 0.00 C ATOM 1324 O4 U B 214 -44.699 0.660 -3.272 1.00 0.00 O ATOM 1325 C5 U B 214 -44.422 -0.056 -1.057 1.00 0.00 C ATOM 1326 C6 U B 214 -44.968 -0.011 0.160 1.00 0.00 C ATOM 0 H5' U B 214 -44.180 -0.251 5.220 1.00 0.00 H new ATOM 0 H5'' U B 214 -43.588 -0.989 3.744 1.00 0.00 H new ATOM 0 H4' U B 214 -44.547 1.039 3.722 1.00 0.00 H new ATOM 0 H3' U B 214 -45.972 -1.786 3.708 1.00 0.00 H new ATOM 0 H2' U B 214 -47.037 -1.424 1.503 1.00 0.00 H new ATOM 0 HO2' U B 214 -48.541 -0.467 3.680 1.00 0.00 H new ATOM 0 H1' U B 214 -47.543 1.379 1.688 1.00 0.00 H new ATOM 0 H3 U B 214 -46.747 1.769 -2.550 1.00 0.00 H new ATOM 0 H5 U B 214 -43.501 -0.591 -1.236 1.00 0.00 H new ATOM 0 H6 U B 214 -44.465 -0.524 0.967 1.00 0.00 H new ATOM 1337 P A B 215 -47.031 -1.386 6.041 1.00 0.00 P ATOM 1338 OP1 A B 215 -45.614 -1.386 6.467 1.00 0.00 O ATOM 1339 OP2 A B 215 -47.690 -2.698 5.857 1.00 0.00 O ATOM 1340 O5' A B 215 -47.871 -0.557 7.122 1.00 0.00 O ATOM 1341 C5' A B 215 -49.283 -0.424 6.977 1.00 0.00 C ATOM 1342 C4' A B 215 -49.758 0.846 7.648 1.00 0.00 C ATOM 1343 O4' A B 215 -49.052 2.054 7.562 1.00 0.00 O ATOM 1344 C3' A B 215 -51.203 1.221 7.337 1.00 0.00 C ATOM 1345 O3' A B 215 -52.058 0.687 8.345 1.00 0.00 O ATOM 1346 C2' A B 215 -51.230 2.725 7.331 1.00 0.00 C ATOM 1347 O2' A B 215 -51.520 3.035 8.676 1.00 0.00 O ATOM 1348 C1' A B 215 -49.805 3.033 6.881 1.00 0.00 C ATOM 1349 N9 A B 215 -49.615 2.932 5.418 1.00 0.00 N ATOM 1350 C8 A B 215 -48.690 2.200 4.761 1.00 0.00 C ATOM 1351 N7 A B 215 -48.782 2.324 3.442 1.00 0.00 N ATOM 1352 C5 A B 215 -49.829 3.189 3.264 1.00 0.00 C ATOM 1353 C6 A B 215 -50.419 3.717 2.096 1.00 0.00 C ATOM 1354 N6 A B 215 -50.012 3.430 0.832 1.00 0.00 N ATOM 1355 N1 A B 215 -51.467 4.570 2.254 1.00 0.00 N ATOM 1356 C2 A B 215 -51.879 4.859 3.509 1.00 0.00 C ATOM 1357 N3 A B 215 -51.396 4.418 4.685 1.00 0.00 N ATOM 1358 C4 A B 215 -50.352 3.573 4.458 1.00 0.00 C ATOM 0 H5' A B 215 -49.784 -1.286 7.417 1.00 0.00 H new ATOM 0 H5'' A B 215 -49.548 -0.407 5.920 1.00 0.00 H new ATOM 0 H4' A B 215 -49.574 0.466 8.653 1.00 0.00 H new ATOM 0 H3' A B 215 -51.550 0.822 6.384 1.00 0.00 H new ATOM 0 H2' A B 215 -51.935 3.271 6.705 1.00 0.00 H new ATOM 0 HO2' A B 215 -51.935 2.260 9.108 1.00 0.00 H new ATOM 0 H1' A B 215 -49.516 4.060 7.106 1.00 0.00 H new ATOM 0 H8 A B 215 -47.955 1.581 5.254 1.00 0.00 H new ATOM 0 H61 A B 215 -50.489 3.851 0.035 1.00 0.00 H new ATOM 0 H62 A B 215 -49.230 2.793 0.680 1.00 0.00 H new ATOM 0 H2 A B 215 -52.714 5.540 3.577 1.00 0.00 H new ATOM 1370 P C B 216 -53.289 -0.251 7.934 1.00 0.00 P ATOM 1371 OP1 C B 216 -54.229 -0.365 9.072 1.00 0.00 O ATOM 1372 OP2 C B 216 -52.781 -1.507 7.340 1.00 0.00 O ATOM 1373 O5' C B 216 -54.010 0.587 6.779 1.00 0.00 O ATOM 1374 C5' C B 216 -54.530 1.886 7.058 1.00 0.00 C ATOM 1375 C4' C B 216 -55.140 2.481 5.809 1.00 0.00 C ATOM 1376 O4' C B 216 -54.894 3.245 4.979 1.00 0.00 O ATOM 1377 C3' C B 216 -56.332 1.704 5.258 1.00 0.00 C ATOM 1378 O3' C B 216 -57.540 2.262 5.772 1.00 0.00 O ATOM 1379 C2' C B 216 -56.248 1.852 3.764 1.00 0.00 C ATOM 1380 O2' C B 216 -57.520 2.361 3.430 1.00 0.00 O ATOM 1381 C1' C B 216 -55.094 2.845 3.642 1.00 0.00 C ATOM 1382 N1 C B 216 -53.865 2.252 3.073 1.00 0.00 N ATOM 1383 C2 C B 216 -53.647 2.403 1.705 1.00 0.00 C ATOM 1384 O2 C B 216 -54.484 3.021 1.036 1.00 0.00 O ATOM 1385 N3 C B 216 -52.536 1.873 1.163 1.00 0.00 N ATOM 1386 C4 C B 216 -51.653 1.217 1.890 1.00 0.00 C ATOM 1387 N4 C B 216 -50.563 0.701 1.337 1.00 0.00 N ATOM 1388 C5 C B 216 -51.857 1.046 3.311 1.00 0.00 C ATOM 1389 C6 C B 216 -52.968 1.580 3.836 1.00 0.00 C ATOM 0 H5' C B 216 -53.734 2.533 7.427 1.00 0.00 H new ATOM 0 H5'' C B 216 -55.282 1.824 7.845 1.00 0.00 H new ATOM 0 H4' C B 216 -54.676 3.160 6.524 1.00 0.00 H new ATOM 0 H3' C B 216 -56.322 0.652 5.545 1.00 0.00 H new ATOM 0 H2' C B 216 -56.057 0.990 3.125 1.00 0.00 H new ATOM 0 HO2' C B 216 -57.893 2.841 4.199 1.00 0.00 H new ATOM 0 H1' C B 216 -55.325 3.661 2.958 1.00 0.00 H new ATOM 0 H41 C B 216 -49.889 0.196 1.913 1.00 0.00 H new ATOM 0 H42 C B 216 -50.399 0.809 0.336 1.00 0.00 H new ATOM 0 H5 C B 216 -51.145 0.511 3.922 1.00 0.00 H new ATOM 0 H6 C B 216 -53.154 1.472 4.894 1.00 0.00 H new ATOM 1401 P G B 217 -58.530 1.358 6.645 1.00 0.00 P ATOM 1402 OP1 G B 217 -59.797 2.087 6.876 1.00 0.00 O ATOM 1403 OP2 G B 217 -57.815 0.838 7.832 1.00 0.00 O ATOM 1404 O5' G B 217 -58.840 0.124 5.675 1.00 0.00 O ATOM 1405 C5' G B 217 -59.579 0.329 4.473 1.00 0.00 C ATOM 1406 C4' G B 217 -59.023 -0.539 3.367 1.00 0.00 C ATOM 1407 O4' G B 217 -58.085 -0.418 2.674 1.00 0.00 O ATOM 1408 C3' G B 217 -59.065 -2.036 3.657 1.00 0.00 C ATOM 1409 O3' G B 217 -60.422 -2.463 3.754 1.00 0.00 O ATOM 1410 C2' G B 217 -58.364 -2.685 2.497 1.00 0.00 C ATOM 1411 O2' G B 217 -59.435 -3.095 1.677 1.00 0.00 O ATOM 1412 C1' G B 217 -57.543 -1.512 1.967 1.00 0.00 C ATOM 1413 N9 G B 217 -56.094 -1.645 2.219 1.00 0.00 N ATOM 1414 C8 G B 217 -55.434 -1.388 3.368 1.00 0.00 C ATOM 1415 N7 G B 217 -54.127 -1.608 3.270 1.00 0.00 N ATOM 1416 C5 G B 217 -53.961 -2.028 1.978 1.00 0.00 C ATOM 1417 C6 G B 217 -52.809 -2.416 1.262 1.00 0.00 C ATOM 1418 O6 G B 217 -51.664 -2.443 1.713 1.00 0.00 O ATOM 1419 N1 G B 217 -52.975 -2.789 -0.036 1.00 0.00 N ATOM 1420 C2 G B 217 -54.221 -2.770 -0.559 1.00 0.00 C ATOM 1421 N2 G B 217 -54.217 -3.161 -1.831 1.00 0.00 N ATOM 1422 N3 G B 217 -55.382 -2.422 0.027 1.00 0.00 N ATOM 1423 C4 G B 217 -55.148 -2.059 1.317 1.00 0.00 C ATOM 0 H5' G B 217 -59.531 1.378 4.182 1.00 0.00 H new ATOM 0 H5'' G B 217 -60.630 0.092 4.638 1.00 0.00 H new ATOM 0 H4' G B 217 -59.753 0.009 2.771 1.00 0.00 H new ATOM 0 H3' G B 217 -58.583 -2.299 4.599 1.00 0.00 H new ATOM 0 H2' G B 217 -57.712 -3.546 2.646 1.00 0.00 H new ATOM 0 HO2' G B 217 -60.280 -2.982 2.161 1.00 0.00 H new ATOM 0 H1' G B 217 -57.606 -1.424 0.882 1.00 0.00 H new ATOM 0 H8 G B 217 -55.916 -1.041 4.270 1.00 0.00 H new ATOM 0 H1 G B 217 -52.177 -3.077 -0.602 1.00 0.00 H new ATOM 0 H21 G B 217 -55.091 -3.196 -2.356 1.00 0.00 H new ATOM 0 H22 G B 217 -53.340 -3.425 -2.281 1.00 0.00 H new ATOM 1435 P C B 218 -60.805 -3.709 4.681 1.00 0.00 P ATOM 1436 OP1 C B 218 -62.260 -3.965 4.597 1.00 0.00 O ATOM 1437 OP2 C B 218 -60.221 -3.525 6.029 1.00 0.00 O ATOM 1438 O5' C B 218 -60.046 -4.928 3.977 1.00 0.00 O ATOM 1439 C5' C B 218 -60.699 -5.678 2.953 1.00 0.00 C ATOM 1440 C4' C B 218 -59.674 -6.317 2.044 1.00 0.00 C ATOM 1441 O4' C B 218 -58.649 -5.704 1.863 1.00 0.00 O ATOM 1442 C3' C B 218 -59.126 -7.649 2.549 1.00 0.00 C ATOM 1443 O3' C B 218 -60.051 -8.689 2.242 1.00 0.00 O ATOM 1444 C2' C B 218 -57.821 -7.840 1.828 1.00 0.00 C ATOM 1445 O2' C B 218 -58.175 -8.703 0.770 1.00 0.00 O ATOM 1446 C1' C B 218 -57.506 -6.403 1.425 1.00 0.00 C ATOM 1447 N1 C B 218 -56.280 -5.869 2.054 1.00 0.00 N ATOM 1448 C2 C B 218 -55.082 -5.999 1.353 1.00 0.00 C ATOM 1449 O2 C B 218 -55.101 -6.549 0.246 1.00 0.00 O ATOM 1450 N3 C B 218 -53.953 -5.520 1.905 1.00 0.00 N ATOM 1451 C4 C B 218 -53.950 -4.936 3.087 1.00 0.00 C ATOM 1452 N4 C B 218 -52.826 -4.471 3.615 1.00 0.00 N ATOM 1453 C5 C B 218 -55.178 -4.790 3.835 1.00 0.00 C ATOM 1454 C6 C B 218 -56.296 -5.271 3.271 1.00 0.00 C ATOM 0 H5' C B 218 -61.353 -5.026 2.375 1.00 0.00 H new ATOM 0 H5'' C B 218 -61.330 -6.447 3.400 1.00 0.00 H new ATOM 0 H4' C B 218 -60.284 -6.383 1.143 1.00 0.00 H new ATOM 0 H3' C B 218 -58.979 -7.666 3.629 1.00 0.00 H new ATOM 0 H2' C B 218 -56.958 -8.273 2.334 1.00 0.00 H new ATOM 0 HO2' C B 218 -59.049 -9.106 0.955 1.00 0.00 H new ATOM 0 H1' C B 218 -57.306 -6.312 0.357 1.00 0.00 H new ATOM 0 H41 C B 218 -52.840 -4.022 4.531 1.00 0.00 H new ATOM 0 H42 C B 218 -51.947 -4.563 3.106 1.00 0.00 H new ATOM 0 H5 C B 218 -55.195 -4.315 4.805 1.00 0.00 H new ATOM 0 H6 C B 218 -57.233 -5.180 3.800 1.00 0.00 H new ATOM 1466 P C B 219 -60.230 -9.922 3.246 1.00 0.00 P ATOM 1467 OP1 C B 219 -61.425 -10.707 2.864 1.00 0.00 O ATOM 1468 OP2 C B 219 -60.146 -9.444 4.644 1.00 0.00 O ATOM 1469 O5' C B 219 -58.936 -10.816 2.952 1.00 0.00 O ATOM 1470 C5' C B 219 -58.972 -11.806 1.926 1.00 0.00 C ATOM 1471 C4' C B 219 -57.596 -12.405 1.732 1.00 0.00 C ATOM 1472 O4' C B 219 -56.744 -11.327 1.637 1.00 0.00 O ATOM 1473 C3' C B 219 -56.959 -12.943 3.010 1.00 0.00 C ATOM 1474 O3' C B 219 -57.381 -14.300 3.215 1.00 0.00 O ATOM 1475 C2' C B 219 -55.475 -12.855 2.780 1.00 0.00 C ATOM 1476 O2' C B 219 -55.197 -14.049 2.083 1.00 0.00 O ATOM 1477 C1' C B 219 -55.391 -11.577 1.949 1.00 0.00 C ATOM 1478 N1 C B 219 -54.793 -10.439 2.678 1.00 0.00 N ATOM 1479 C2 C B 219 -53.436 -10.187 2.484 1.00 0.00 C ATOM 1480 O2 C B 219 -52.801 -10.921 1.718 1.00 0.00 O ATOM 1481 N3 C B 219 -52.868 -9.157 3.136 1.00 0.00 N ATOM 1482 C4 C B 219 -53.560 -8.384 3.949 1.00 0.00 C ATOM 1483 N4 C B 219 -52.982 -7.372 4.585 1.00 0.00 N ATOM 1484 C5 C B 219 -54.968 -8.624 4.169 1.00 0.00 C ATOM 1485 C6 C B 219 -55.520 -9.655 3.512 1.00 0.00 C ATOM 0 H5' C B 219 -59.318 -11.361 0.993 1.00 0.00 H new ATOM 0 H5'' C B 219 -59.684 -12.588 2.190 1.00 0.00 H new ATOM 0 H4' C B 219 -57.709 -13.139 0.935 1.00 0.00 H new ATOM 0 H3' C B 219 -57.248 -12.383 3.899 1.00 0.00 H new ATOM 0 H2' C B 219 -54.780 -12.791 3.618 1.00 0.00 H new ATOM 0 HO2' C B 219 -55.882 -14.717 2.293 1.00 0.00 H new ATOM 0 HO3' C B 219 -56.972 -14.649 4.034 1.00 0.00 H new ATOM 0 H1' C B 219 -54.743 -11.694 1.081 1.00 0.00 H new ATOM 0 H41 C B 219 -53.531 -6.783 5.211 1.00 0.00 H new ATOM 0 H42 C B 219 -51.989 -7.184 4.448 1.00 0.00 H new ATOM 0 H5 C B 219 -55.550 -8.001 4.833 1.00 0.00 H new ATOM 0 H6 C B 219 -56.570 -9.866 3.651 1.00 0.00 H new TER 1497 C B 219 HETATM 1498 ZN ZN A 128 -50.792 11.591 7.658 1.00 0.00 ZN HETATM 1499 ZN ZN A 149 -54.325 28.777 2.475 1.00 0.00 ZN