USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1013 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 20 HIS HE2 : A 20 HIS NE2 : A 83 ZNZN :(H bumps) USER MOD NoAdj-H: A 24 HIS HE2 : A 24 HIS NE2 : A 83 ZNZN :(H bumps) USER MOD NoAdj-H: A 48 HIS HE2 : A 48 HIS NE2 : A 84 ZNZN :(H bumps) USER MOD NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 84 ZNZN :(H bumps) USER MOD NoAdj-H: A 76 HIS HE2 : A 76 HIS NE2 : A 85 ZNZN :(H bumps) USER MOD NoAdj-H: A 80 HIS HE2 : A 80 HIS NE2 : A 85 ZNZN :(H bumps) USER MOD Set 1.1: C 211 DT C7 :methyl 150:sc= -0.0243 (180deg=0) USER MOD Set 1.2: C 212 DT C7 :methyl -30:sc= -0.191 (180deg=0) USER MOD Set 2.1: A 58 HIS :FLIP no HE2:sc= -0.279 F(o=-6.4!,f=-0.34) USER MOD Set 2.2: A 70 SER OG : rot -68:sc= -0.0587 USER MOD Set 3.1: A 47 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.102) USER MOD Set 3.2: A 69 GLN : amide:sc= -1.53 K(o=-1.5,f=-4.2!) USER MOD Set 4.1: A 15 SER OG : rot 146:sc= -0.181 USER MOD Set 4.2: A 16 THR OG1 : rot 88:sc= -1.23 USER MOD Set 4.3: B 111 DT C7 :methyl 150:sc= -0.769 (180deg=-0.769) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 64:sc= 0.223 USER MOD Single : A 5 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.302) USER MOD Single : A 9 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0171) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -161:sc= 0.901 USER MOD Single : A 18 SER OG : rot -69:sc= -0.533! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0301 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN :FLIP amide:sc= -4.08! C(o=-7.6!,f=-4.1!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -5.53! C(o=-5.5!,f=-11!) USER MOD Single : A 41 GLN : amide:sc= -1.88 K(o=-1.9,f=-4.3!) USER MOD Single : A 42 LYS NZ :NH3+ -160:sc= -0.0598 (180deg=-0.874) USER MOD Single : A 43 SER OG : rot 180:sc= 0.018 USER MOD Single : A 45 MET CE :methyl -143:sc= -0.226 (180deg=-1.11) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -29:sc= -1.6 USER MOD Single : A 53 THR OG1 : rot -158:sc= -2.79! USER MOD Single : A 56 LYS NZ :NH3+ -162:sc= -0.0299 (180deg=-0.354) USER MOD Single : A 59 LYS NZ :NH3+ 160:sc= -0.0693 (180deg=-0.566) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -147:sc= -0.681! (180deg=-2.34!) USER MOD Single : A 68 SER OG : rot -48:sc= 0.206 USER MOD Single : A 71 SER OG : rot -102:sc= -0.243 USER MOD Single : A 72 ASN : amide:sc= 0.451 K(o=0.45,f=-6.9!) USER MOD Single : A 75 THR OG1 : rot 81:sc= 0.657 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 157:sc= -3.87! (180deg=-4.13!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : B 101 DC O5' : rot 180:sc= 0 USER MOD Single : B 103 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 107 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 115 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 116 DA O3' : rot 180:sc= 0 USER MOD Single : C 201 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 201 DT O5' : rot 180:sc= 0 USER MOD Single : C 208 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 213 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 215 DT C7 :methyl 150:sc= -0.0544 (180deg=-0.0544) USER MOD Single : C 216 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -9.938 -8.505 38.562 1.00 1.36 N ATOM 2 CA SER A 1 -11.155 -8.944 37.825 1.00 1.17 C ATOM 3 C SER A 1 -12.158 -7.793 37.773 1.00 1.05 C ATOM 4 O SER A 1 -13.286 -7.920 38.209 1.00 1.21 O ATOM 5 CB SER A 1 -11.789 -10.132 38.545 1.00 1.16 C ATOM 6 OG SER A 1 -12.124 -9.748 39.870 1.00 1.46 O ATOM 0 H1 SER A 1 -9.253 -9.287 38.599 1.00 1.36 H new ATOM 0 H2 SER A 1 -9.510 -7.693 38.073 1.00 1.36 H new ATOM 0 H3 SER A 1 -10.199 -8.228 39.530 1.00 1.36 H new ATOM 0 HA SER A 1 -10.879 -9.238 36.812 1.00 1.17 H new ATOM 0 HB2 SER A 1 -12.681 -10.462 38.012 1.00 1.16 H new ATOM 0 HB3 SER A 1 -11.097 -10.974 38.561 1.00 1.16 H new ATOM 0 HG SER A 1 -12.801 -9.039 39.844 1.00 1.46 H new ATOM 14 N PHE A 2 -11.759 -6.666 37.248 1.00 0.89 N ATOM 15 CA PHE A 2 -12.695 -5.506 37.175 1.00 0.78 C ATOM 16 C PHE A 2 -13.522 -5.626 35.907 1.00 0.63 C ATOM 17 O PHE A 2 -12.997 -5.805 34.827 1.00 0.61 O ATOM 18 CB PHE A 2 -11.898 -4.205 37.153 1.00 0.78 C ATOM 19 CG PHE A 2 -10.749 -4.321 38.112 1.00 0.91 C ATOM 20 CD1 PHE A 2 -9.542 -4.883 37.692 1.00 1.04 C ATOM 21 CD2 PHE A 2 -10.899 -3.888 39.428 1.00 0.94 C ATOM 22 CE1 PHE A 2 -8.483 -5.013 38.590 1.00 1.17 C ATOM 23 CE2 PHE A 2 -9.838 -4.012 40.330 1.00 1.08 C ATOM 24 CZ PHE A 2 -8.629 -4.576 39.911 1.00 1.18 C ATOM 0 H PHE A 2 -10.828 -6.498 36.867 1.00 0.89 H new ATOM 0 HA PHE A 2 -13.352 -5.502 38.045 1.00 0.78 H new ATOM 0 HB2 PHE A 2 -11.530 -4.006 36.147 1.00 0.78 H new ATOM 0 HB3 PHE A 2 -12.537 -3.367 37.431 1.00 0.78 H new ATOM 0 HD1 PHE A 2 -9.428 -5.217 36.671 1.00 1.04 H new ATOM 0 HD2 PHE A 2 -11.835 -3.457 39.751 1.00 0.94 H new ATOM 0 HE1 PHE A 2 -7.550 -5.451 38.266 1.00 1.17 H new ATOM 0 HE2 PHE A 2 -9.952 -3.673 41.349 1.00 1.08 H new ATOM 0 HZ PHE A 2 -7.809 -4.674 40.607 1.00 1.18 H new ATOM 34 N ASP A 3 -14.820 -5.540 36.023 1.00 0.58 N ATOM 35 CA ASP A 3 -15.662 -5.669 34.808 1.00 0.46 C ATOM 36 C ASP A 3 -16.263 -4.325 34.420 1.00 0.40 C ATOM 37 O ASP A 3 -16.769 -3.570 35.230 1.00 0.50 O ATOM 38 CB ASP A 3 -16.768 -6.693 35.025 1.00 0.55 C ATOM 39 CG ASP A 3 -17.516 -6.894 33.706 1.00 0.74 C ATOM 40 OD1 ASP A 3 -17.361 -6.062 32.824 1.00 1.38 O ATOM 41 OD2 ASP A 3 -18.226 -7.878 33.592 1.00 1.01 O ATOM 0 H ASP A 3 -15.325 -5.388 36.896 1.00 0.58 H new ATOM 0 HA ASP A 3 -15.024 -6.012 33.994 1.00 0.46 H new ATOM 0 HB2 ASP A 3 -16.346 -7.638 35.368 1.00 0.55 H new ATOM 0 HB3 ASP A 3 -17.454 -6.350 35.800 1.00 0.55 H new ATOM 46 N CYS A 4 -16.221 -4.063 33.160 1.00 0.31 N ATOM 47 CA CYS A 4 -16.787 -2.801 32.620 1.00 0.34 C ATOM 48 C CYS A 4 -18.315 -2.828 32.758 1.00 0.44 C ATOM 49 O CYS A 4 -18.974 -3.752 32.333 1.00 0.46 O ATOM 50 CB CYS A 4 -16.398 -2.667 31.156 1.00 0.36 C ATOM 51 SG CYS A 4 -17.504 -1.504 30.334 1.00 0.50 S ATOM 0 H CYS A 4 -15.810 -4.680 32.459 1.00 0.31 H new ATOM 0 HA CYS A 4 -16.395 -1.949 33.176 1.00 0.34 H new ATOM 0 HB2 CYS A 4 -15.367 -2.322 31.074 1.00 0.36 H new ATOM 0 HB3 CYS A 4 -16.449 -3.639 30.666 1.00 0.36 H new ATOM 56 N LYS A 5 -18.874 -1.819 33.366 1.00 0.55 N ATOM 57 CA LYS A 5 -20.351 -1.780 33.561 1.00 0.68 C ATOM 58 C LYS A 5 -20.995 -1.031 32.395 1.00 0.74 C ATOM 59 O LYS A 5 -22.048 -0.440 32.529 1.00 0.85 O ATOM 60 CB LYS A 5 -20.691 -1.050 34.872 1.00 0.83 C ATOM 61 CG LYS A 5 -19.747 -1.503 35.998 1.00 0.83 C ATOM 62 CD LYS A 5 -18.609 -0.488 36.160 1.00 1.01 C ATOM 63 CE LYS A 5 -17.618 -0.993 37.213 1.00 1.16 C ATOM 64 NZ LYS A 5 -16.393 -0.145 37.185 1.00 1.53 N ATOM 0 H LYS A 5 -18.369 -1.015 33.738 1.00 0.55 H new ATOM 0 HA LYS A 5 -20.730 -2.801 33.606 1.00 0.68 H new ATOM 0 HB2 LYS A 5 -20.606 0.027 34.729 1.00 0.83 H new ATOM 0 HB3 LYS A 5 -21.725 -1.253 35.151 1.00 0.83 H new ATOM 0 HG2 LYS A 5 -20.299 -1.596 36.933 1.00 0.83 H new ATOM 0 HG3 LYS A 5 -19.339 -2.488 35.769 1.00 0.83 H new ATOM 0 HD2 LYS A 5 -18.100 -0.342 35.207 1.00 1.01 H new ATOM 0 HD3 LYS A 5 -19.011 0.480 36.459 1.00 1.01 H new ATOM 0 HE2 LYS A 5 -18.074 -0.961 38.203 1.00 1.16 H new ATOM 0 HE3 LYS A 5 -17.359 -2.033 37.015 1.00 1.16 H new ATOM 0 HZ1 LYS A 5 -15.633 -0.615 37.717 1.00 1.53 H new ATOM 0 HZ2 LYS A 5 -16.090 -0.005 36.200 1.00 1.53 H new ATOM 0 HZ3 LYS A 5 -16.599 0.778 37.618 1.00 1.53 H new ATOM 78 N ILE A 6 -20.361 -1.036 31.259 1.00 0.70 N ATOM 79 CA ILE A 6 -20.924 -0.306 30.084 1.00 0.81 C ATOM 80 C ILE A 6 -21.068 -1.232 28.872 1.00 0.81 C ATOM 81 O ILE A 6 -22.167 -1.588 28.493 1.00 0.91 O ATOM 82 CB ILE A 6 -20.005 0.868 29.757 1.00 0.81 C ATOM 83 CG1 ILE A 6 -19.891 1.749 31.007 1.00 0.81 C ATOM 84 CG2 ILE A 6 -20.610 1.679 28.607 1.00 0.99 C ATOM 85 CD1 ILE A 6 -18.848 2.848 30.788 1.00 1.05 C ATOM 0 H ILE A 6 -19.476 -1.514 31.089 1.00 0.70 H new ATOM 0 HA ILE A 6 -21.921 0.059 30.330 1.00 0.81 H new ATOM 0 HB ILE A 6 -19.019 0.510 29.459 1.00 0.81 H new ATOM 0 HG12 ILE A 6 -20.859 2.196 31.235 1.00 0.81 H new ATOM 0 HG13 ILE A 6 -19.612 1.139 31.866 1.00 0.81 H new ATOM 0 HG21 ILE A 6 -19.956 2.519 28.371 1.00 0.99 H new ATOM 0 HG22 ILE A 6 -20.715 1.042 27.729 1.00 0.99 H new ATOM 0 HG23 ILE A 6 -21.590 2.054 28.902 1.00 0.99 H new ATOM 0 HD11 ILE A 6 -18.777 3.466 31.683 1.00 1.05 H new ATOM 0 HD12 ILE A 6 -17.879 2.394 30.583 1.00 1.05 H new ATOM 0 HD13 ILE A 6 -19.145 3.468 29.942 1.00 1.05 H new ATOM 97 N CYS A 7 -19.988 -1.618 28.244 1.00 0.72 N ATOM 98 CA CYS A 7 -20.122 -2.508 27.041 1.00 0.76 C ATOM 99 C CYS A 7 -20.178 -3.985 27.456 1.00 0.68 C ATOM 100 O CYS A 7 -21.019 -4.727 26.992 1.00 0.83 O ATOM 101 CB CYS A 7 -18.964 -2.271 26.062 1.00 0.79 C ATOM 102 SG CYS A 7 -17.402 -2.789 26.798 1.00 0.66 S ATOM 0 H CYS A 7 -19.034 -1.364 28.501 1.00 0.72 H new ATOM 0 HA CYS A 7 -21.057 -2.259 26.539 1.00 0.76 H new ATOM 0 HB2 CYS A 7 -19.140 -2.825 25.140 1.00 0.79 H new ATOM 0 HB3 CYS A 7 -18.915 -1.215 25.795 1.00 0.79 H new ATOM 107 N GLY A 8 -19.316 -4.411 28.336 1.00 0.54 N ATOM 108 CA GLY A 8 -19.347 -5.836 28.802 1.00 0.48 C ATOM 109 C GLY A 8 -17.986 -6.531 28.641 1.00 0.40 C ATOM 110 O GLY A 8 -17.918 -7.662 28.203 1.00 0.46 O ATOM 0 H GLY A 8 -18.587 -3.836 28.757 1.00 0.54 H new ATOM 0 HA2 GLY A 8 -19.647 -5.867 29.849 1.00 0.48 H new ATOM 0 HA3 GLY A 8 -20.102 -6.384 28.238 1.00 0.48 H new ATOM 114 N LYS A 9 -16.911 -5.892 29.025 1.00 0.46 N ATOM 115 CA LYS A 9 -15.567 -6.554 28.922 1.00 0.46 C ATOM 116 C LYS A 9 -14.869 -6.479 30.288 1.00 0.40 C ATOM 117 O LYS A 9 -15.198 -5.651 31.114 1.00 0.36 O ATOM 118 CB LYS A 9 -14.717 -5.878 27.851 1.00 0.55 C ATOM 119 CG LYS A 9 -13.430 -6.687 27.645 1.00 0.69 C ATOM 120 CD LYS A 9 -12.604 -6.063 26.511 1.00 0.75 C ATOM 121 CE LYS A 9 -13.029 -6.662 25.168 1.00 1.00 C ATOM 122 NZ LYS A 9 -12.385 -7.994 24.991 1.00 1.25 N ATOM 0 H LYS A 9 -16.901 -4.945 29.404 1.00 0.46 H new ATOM 0 HA LYS A 9 -15.698 -7.598 28.636 1.00 0.46 H new ATOM 0 HB2 LYS A 9 -15.273 -5.812 26.916 1.00 0.55 H new ATOM 0 HB3 LYS A 9 -14.476 -4.858 28.151 1.00 0.55 H new ATOM 0 HG2 LYS A 9 -12.847 -6.703 28.566 1.00 0.69 H new ATOM 0 HG3 LYS A 9 -13.674 -7.722 27.404 1.00 0.69 H new ATOM 0 HD2 LYS A 9 -12.745 -4.982 26.498 1.00 0.75 H new ATOM 0 HD3 LYS A 9 -11.542 -6.244 26.680 1.00 0.75 H new ATOM 0 HE2 LYS A 9 -14.114 -6.763 25.130 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -12.742 -5.996 24.354 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -12.563 -8.340 24.027 1.00 1.25 H new ATOM 0 HZ2 LYS A 9 -11.360 -7.907 25.144 1.00 1.25 H new ATOM 0 HZ3 LYS A 9 -12.782 -8.666 25.679 1.00 1.25 H new ATOM 136 N SER A 10 -13.940 -7.374 30.566 1.00 0.48 N ATOM 137 CA SER A 10 -13.288 -7.371 31.920 1.00 0.53 C ATOM 138 C SER A 10 -11.795 -6.994 31.857 1.00 0.62 C ATOM 139 O SER A 10 -11.173 -6.991 30.816 1.00 0.69 O ATOM 140 CB SER A 10 -13.449 -8.752 32.554 0.50 0.64 C ATOM 141 OG SER A 10 -14.816 -8.950 32.897 1.00 0.86 O ATOM 0 H SER A 10 -13.611 -8.095 29.924 1.00 0.48 H new ATOM 0 HA SER A 10 -13.782 -6.611 32.526 1.00 0.53 H new ATOM 0 HB2 SER A 10 -13.120 -9.525 31.860 0.50 0.64 H new ATOM 0 HB3 SER A 10 -12.823 -8.833 33.442 0.50 0.64 H new ATOM 0 HG SER A 10 -14.927 -9.835 33.303 1.00 0.86 H new ATOM 147 N PHE A 11 -11.239 -6.675 33.010 1.00 0.65 N ATOM 148 CA PHE A 11 -9.792 -6.281 33.079 1.00 0.75 C ATOM 149 C PHE A 11 -9.139 -6.838 34.346 1.00 0.89 C ATOM 150 O PHE A 11 -9.591 -6.611 35.447 1.00 0.93 O ATOM 151 CB PHE A 11 -9.702 -4.750 33.056 1.00 0.65 C ATOM 152 CG PHE A 11 -10.478 -4.271 31.859 1.00 0.53 C ATOM 153 CD1 PHE A 11 -11.859 -4.077 31.960 1.00 0.44 C ATOM 154 CD2 PHE A 11 -9.832 -4.089 30.633 1.00 0.57 C ATOM 155 CE1 PHE A 11 -12.591 -3.696 30.838 1.00 0.38 C ATOM 156 CE2 PHE A 11 -10.570 -3.722 29.505 1.00 0.53 C ATOM 157 CZ PHE A 11 -11.951 -3.525 29.609 1.00 0.45 C ATOM 0 H PHE A 11 -11.728 -6.671 33.905 1.00 0.65 H new ATOM 0 HA PHE A 11 -9.258 -6.696 32.224 1.00 0.75 H new ATOM 0 HB2 PHE A 11 -10.112 -4.328 33.973 1.00 0.65 H new ATOM 0 HB3 PHE A 11 -8.663 -4.428 32.994 1.00 0.65 H new ATOM 0 HD1 PHE A 11 -12.358 -4.222 32.907 1.00 0.44 H new ATOM 0 HD2 PHE A 11 -8.764 -4.232 30.558 1.00 0.57 H new ATOM 0 HE1 PHE A 11 -13.655 -3.533 30.919 1.00 0.38 H new ATOM 0 HE2 PHE A 11 -10.075 -3.591 28.554 1.00 0.53 H new ATOM 0 HZ PHE A 11 -12.523 -3.240 28.738 1.00 0.45 H new ATOM 167 N LYS A 12 -8.067 -7.572 34.177 1.00 1.03 N ATOM 168 CA LYS A 12 -7.356 -8.153 35.351 1.00 1.19 C ATOM 169 C LYS A 12 -6.839 -7.016 36.223 1.00 1.19 C ATOM 170 O LYS A 12 -6.612 -7.179 37.406 1.00 1.28 O ATOM 171 CB LYS A 12 -6.146 -8.982 34.894 1.00 1.35 C ATOM 172 CG LYS A 12 -6.523 -9.891 33.720 1.00 1.53 C ATOM 173 CD LYS A 12 -7.713 -10.774 34.106 1.00 1.70 C ATOM 174 CE LYS A 12 -7.893 -11.875 33.057 1.00 1.86 C ATOM 175 NZ LYS A 12 -9.079 -12.709 33.411 1.00 1.99 N ATOM 0 H LYS A 12 -7.654 -7.793 33.271 1.00 1.03 H new ATOM 0 HA LYS A 12 -8.050 -8.790 35.899 1.00 1.19 H new ATOM 0 HB2 LYS A 12 -5.334 -8.317 34.599 1.00 1.35 H new ATOM 0 HB3 LYS A 12 -5.778 -9.585 35.724 1.00 1.35 H new ATOM 0 HG2 LYS A 12 -6.774 -9.288 32.848 1.00 1.53 H new ATOM 0 HG3 LYS A 12 -5.672 -10.513 33.443 1.00 1.53 H new ATOM 0 HD2 LYS A 12 -7.548 -11.216 35.088 1.00 1.70 H new ATOM 0 HD3 LYS A 12 -8.619 -10.172 34.176 1.00 1.70 H new ATOM 0 HE2 LYS A 12 -8.027 -11.433 32.070 1.00 1.86 H new ATOM 0 HE3 LYS A 12 -6.999 -12.497 33.009 1.00 1.86 H new ATOM 0 HZ1 LYS A 12 -9.202 -13.457 32.699 1.00 1.99 H new ATOM 0 HZ2 LYS A 12 -8.933 -13.141 34.346 1.00 1.99 H new ATOM 0 HZ3 LYS A 12 -9.929 -12.111 33.435 1.00 1.99 H new ATOM 189 N ARG A 13 -6.634 -5.860 35.632 1.00 1.10 N ATOM 190 CA ARG A 13 -6.109 -4.694 36.405 1.00 1.10 C ATOM 191 C ARG A 13 -7.124 -3.556 36.347 1.00 0.94 C ATOM 192 O ARG A 13 -7.715 -3.283 35.318 1.00 0.85 O ATOM 193 CB ARG A 13 -4.771 -4.235 35.805 1.00 1.14 C ATOM 194 CG ARG A 13 -3.617 -4.698 36.707 1.00 1.57 C ATOM 195 CD ARG A 13 -3.441 -3.712 37.866 1.00 1.57 C ATOM 196 NE ARG A 13 -2.646 -2.541 37.399 1.00 1.73 N ATOM 197 CZ ARG A 13 -2.790 -1.373 37.971 1.00 2.36 C ATOM 198 NH1 ARG A 13 -3.619 -1.227 38.967 1.00 2.89 N ATOM 199 NH2 ARG A 13 -2.099 -0.350 37.546 1.00 2.56 N ATOM 0 H ARG A 13 -6.809 -5.677 34.644 1.00 1.10 H new ATOM 0 HA ARG A 13 -5.949 -4.984 37.443 1.00 1.10 H new ATOM 0 HB2 ARG A 13 -4.650 -4.646 34.803 1.00 1.14 H new ATOM 0 HB3 ARG A 13 -4.757 -3.149 35.708 1.00 1.14 H new ATOM 0 HG2 ARG A 13 -3.823 -5.696 37.094 1.00 1.57 H new ATOM 0 HG3 ARG A 13 -2.695 -4.764 36.129 1.00 1.57 H new ATOM 0 HD2 ARG A 13 -4.414 -3.383 38.230 1.00 1.57 H new ATOM 0 HD3 ARG A 13 -2.936 -4.200 38.700 1.00 1.57 H new ATOM 0 HE ARG A 13 -1.986 -2.651 36.629 1.00 1.73 H new ATOM 0 HH11 ARG A 13 -4.158 -2.025 39.303 1.00 2.89 H new ATOM 0 HH12 ARG A 13 -3.728 -0.315 39.410 1.00 2.89 H new ATOM 0 HH21 ARG A 13 -1.448 -0.462 36.769 1.00 2.56 H new ATOM 0 HH22 ARG A 13 -2.210 0.561 37.991 1.00 2.56 H new ATOM 213 N SER A 14 -7.339 -2.888 37.443 1.00 0.95 N ATOM 214 CA SER A 14 -8.323 -1.777 37.427 1.00 0.84 C ATOM 215 C SER A 14 -7.814 -0.682 36.496 1.00 0.75 C ATOM 216 O SER A 14 -8.572 -0.077 35.773 1.00 0.64 O ATOM 217 CB SER A 14 -8.509 -1.222 38.839 1.00 0.92 C ATOM 218 OG SER A 14 -7.731 -0.043 38.984 1.00 1.09 O ATOM 0 H SER A 14 -6.882 -3.061 38.338 1.00 0.95 H new ATOM 0 HA SER A 14 -9.286 -2.143 37.071 1.00 0.84 H new ATOM 0 HB2 SER A 14 -9.561 -1.002 39.021 1.00 0.92 H new ATOM 0 HB3 SER A 14 -8.206 -1.965 39.577 1.00 0.92 H new ATOM 0 HG SER A 14 -7.597 0.146 39.936 1.00 1.09 H new ATOM 224 N SER A 15 -6.530 -0.439 36.489 1.00 0.85 N ATOM 225 CA SER A 15 -5.984 0.600 35.579 1.00 0.80 C ATOM 226 C SER A 15 -6.411 0.248 34.162 1.00 0.74 C ATOM 227 O SER A 15 -6.939 1.066 33.437 1.00 0.71 O ATOM 228 CB SER A 15 -4.458 0.588 35.652 1.00 0.94 C ATOM 229 OG SER A 15 -3.991 -0.705 35.286 1.00 1.18 O ATOM 0 H SER A 15 -5.842 -0.914 37.072 1.00 0.85 H new ATOM 0 HA SER A 15 -6.352 1.586 35.864 1.00 0.80 H new ATOM 0 HB2 SER A 15 -4.042 1.342 34.984 1.00 0.94 H new ATOM 0 HB3 SER A 15 -4.127 0.838 36.660 1.00 0.94 H new ATOM 0 HG SER A 15 -3.139 -0.622 34.809 1.00 1.18 H new ATOM 235 N THR A 16 -6.212 -0.984 33.767 1.00 0.76 N ATOM 236 CA THR A 16 -6.623 -1.412 32.406 1.00 0.73 C ATOM 237 C THR A 16 -8.117 -1.128 32.262 1.00 0.59 C ATOM 238 O THR A 16 -8.587 -0.698 31.221 1.00 0.57 O ATOM 239 CB THR A 16 -6.348 -2.916 32.275 1.00 0.85 C ATOM 240 OG1 THR A 16 -6.040 -3.436 33.555 1.00 1.07 O ATOM 241 CG2 THR A 16 -5.175 -3.180 31.339 1.00 0.94 C ATOM 0 H THR A 16 -5.780 -1.712 34.336 1.00 0.76 H new ATOM 0 HA THR A 16 -6.073 -0.879 31.630 1.00 0.73 H new ATOM 0 HB THR A 16 -7.235 -3.398 31.863 1.00 0.85 H new ATOM 0 HG1 THR A 16 -6.867 -3.702 34.008 1.00 1.07 H new ATOM 0 HG21 THR A 16 -5.003 -4.254 31.265 1.00 0.94 H new ATOM 0 HG22 THR A 16 -5.401 -2.780 30.351 1.00 0.94 H new ATOM 0 HG23 THR A 16 -4.281 -2.695 31.731 1.00 0.94 H new ATOM 249 N LEU A 17 -8.868 -1.309 33.313 1.00 0.53 N ATOM 250 CA LEU A 17 -10.316 -0.991 33.221 1.00 0.42 C ATOM 251 C LEU A 17 -10.443 0.522 33.146 1.00 0.34 C ATOM 252 O LEU A 17 -11.314 1.042 32.503 1.00 0.32 O ATOM 253 CB LEU A 17 -11.069 -1.499 34.450 1.00 0.45 C ATOM 254 CG LEU A 17 -12.450 -0.827 34.551 1.00 0.40 C ATOM 255 CD1 LEU A 17 -13.294 -1.138 33.310 1.00 0.44 C ATOM 256 CD2 LEU A 17 -13.168 -1.361 35.781 1.00 0.63 C ATOM 0 H LEU A 17 -8.547 -1.657 34.216 1.00 0.53 H new ATOM 0 HA LEU A 17 -10.745 -1.474 32.343 1.00 0.42 H new ATOM 0 HB2 LEU A 17 -11.188 -2.581 34.390 1.00 0.45 H new ATOM 0 HB3 LEU A 17 -10.490 -1.292 35.350 1.00 0.45 H new ATOM 0 HG LEU A 17 -12.313 0.252 34.624 1.00 0.40 H new ATOM 0 HD11 LEU A 17 -14.266 -0.654 33.401 1.00 0.44 H new ATOM 0 HD12 LEU A 17 -12.785 -0.766 32.421 1.00 0.44 H new ATOM 0 HD13 LEU A 17 -13.432 -2.216 33.224 1.00 0.44 H new ATOM 0 HD21 LEU A 17 -14.148 -0.891 35.863 1.00 0.63 H new ATOM 0 HD22 LEU A 17 -13.289 -2.441 35.692 1.00 0.63 H new ATOM 0 HD23 LEU A 17 -12.582 -1.134 36.672 1.00 0.63 H new ATOM 268 N SER A 18 -9.585 1.239 33.822 1.00 0.37 N ATOM 269 CA SER A 18 -9.666 2.718 33.788 1.00 0.34 C ATOM 270 C SER A 18 -9.525 3.187 32.344 1.00 0.33 C ATOM 271 O SER A 18 -10.425 3.787 31.793 1.00 0.35 O ATOM 272 CB SER A 18 -8.534 3.299 34.639 0.50 0.43 C ATOM 273 OG SER A 18 -7.327 3.301 33.884 1.00 1.16 O ATOM 0 H SER A 18 -8.832 0.858 34.396 1.00 0.37 H new ATOM 0 HA SER A 18 -10.624 3.054 34.186 1.00 0.34 H new ATOM 0 HB2 SER A 18 -8.783 4.314 34.951 0.50 0.43 H new ATOM 0 HB3 SER A 18 -8.407 2.709 35.547 0.50 0.43 H new ATOM 0 HG SER A 18 -7.026 2.379 33.746 1.00 1.16 H new ATOM 279 N THR A 19 -8.418 2.893 31.711 1.00 0.40 N ATOM 280 CA THR A 19 -8.252 3.316 30.291 1.00 0.47 C ATOM 281 C THR A 19 -9.451 2.827 29.499 1.00 0.50 C ATOM 282 O THR A 19 -9.931 3.475 28.587 1.00 0.57 O ATOM 283 CB THR A 19 -6.982 2.703 29.708 1.00 0.59 C ATOM 284 OG1 THR A 19 -5.853 3.202 30.411 1.00 0.66 O ATOM 285 CG2 THR A 19 -6.881 3.080 28.229 1.00 0.74 C ATOM 0 H THR A 19 -7.630 2.384 32.112 1.00 0.40 H new ATOM 0 HA THR A 19 -8.178 4.402 30.239 1.00 0.47 H new ATOM 0 HB THR A 19 -7.013 1.618 29.806 1.00 0.59 H new ATOM 0 HG1 THR A 19 -5.036 2.808 30.039 1.00 0.66 H new ATOM 0 HG21 THR A 19 -5.976 2.646 27.804 1.00 0.74 H new ATOM 0 HG22 THR A 19 -7.752 2.698 27.696 1.00 0.74 H new ATOM 0 HG23 THR A 19 -6.843 4.165 28.132 1.00 0.74 H new ATOM 293 N HIS A 20 -9.962 1.696 29.855 1.00 0.48 N ATOM 294 CA HIS A 20 -11.145 1.180 29.139 1.00 0.52 C ATOM 295 C HIS A 20 -12.344 2.090 29.466 1.00 0.49 C ATOM 296 O HIS A 20 -13.104 2.533 28.599 1.00 0.59 O ATOM 297 CB HIS A 20 -11.402 -0.249 29.602 1.00 0.50 C ATOM 298 CG HIS A 20 -12.639 -0.743 28.947 1.00 0.51 C ATOM 299 ND1 HIS A 20 -12.621 -1.392 27.707 1.00 0.64 N ATOM 300 CD2 HIS A 20 -13.952 -0.605 29.288 1.00 0.45 C ATOM 301 CE1 HIS A 20 -13.901 -1.600 27.348 1.00 0.65 C ATOM 302 NE2 HIS A 20 -14.714 -1.138 28.283 1.00 0.55 N ATOM 0 H HIS A 20 -9.613 1.106 30.610 1.00 0.48 H new ATOM 0 HA HIS A 20 -10.988 1.177 28.060 1.00 0.52 H new ATOM 0 HB2 HIS A 20 -10.557 -0.888 29.345 1.00 0.50 H new ATOM 0 HB3 HIS A 20 -11.509 -0.282 30.686 1.00 0.50 H new ATOM 0 HD1 HIS A 20 -11.792 -1.658 27.175 1.00 0.64 H new ATOM 0 HD2 HIS A 20 -14.326 -0.153 30.195 1.00 0.45 H new ATOM 0 HE1 HIS A 20 -14.218 -2.075 26.431 1.00 0.65 H new ATOM 310 N LEU A 21 -12.506 2.409 30.720 1.00 0.40 N ATOM 311 CA LEU A 21 -13.619 3.298 31.106 1.00 0.46 C ATOM 312 C LEU A 21 -13.437 4.591 30.328 1.00 0.54 C ATOM 313 O LEU A 21 -14.377 5.208 29.868 1.00 0.65 O ATOM 314 CB LEU A 21 -13.563 3.569 32.617 1.00 0.43 C ATOM 315 CG LEU A 21 -14.131 2.358 33.375 1.00 0.42 C ATOM 316 CD1 LEU A 21 -13.876 2.519 34.878 1.00 0.48 C ATOM 317 CD2 LEU A 21 -15.644 2.246 33.122 1.00 0.57 C ATOM 0 H LEU A 21 -11.914 2.090 31.487 1.00 0.40 H new ATOM 0 HA LEU A 21 -14.586 2.847 30.883 1.00 0.46 H new ATOM 0 HB2 LEU A 21 -12.535 3.756 32.926 1.00 0.43 H new ATOM 0 HB3 LEU A 21 -14.136 4.464 32.858 1.00 0.43 H new ATOM 0 HG LEU A 21 -13.637 1.454 33.019 1.00 0.42 H new ATOM 0 HD11 LEU A 21 -14.281 1.658 35.410 1.00 0.48 H new ATOM 0 HD12 LEU A 21 -12.803 2.587 35.060 1.00 0.48 H new ATOM 0 HD13 LEU A 21 -14.362 3.427 35.234 1.00 0.48 H new ATOM 0 HD21 LEU A 21 -16.040 1.386 33.662 1.00 0.57 H new ATOM 0 HD22 LEU A 21 -16.139 3.153 33.470 1.00 0.57 H new ATOM 0 HD23 LEU A 21 -15.826 2.120 32.055 1.00 0.57 H new ATOM 329 N LEU A 22 -12.197 4.967 30.147 1.00 0.52 N ATOM 330 CA LEU A 22 -11.881 6.185 29.364 1.00 0.61 C ATOM 331 C LEU A 22 -12.365 5.978 27.932 1.00 0.73 C ATOM 332 O LEU A 22 -12.863 6.894 27.314 1.00 0.84 O ATOM 333 CB LEU A 22 -10.365 6.445 29.373 1.00 0.59 C ATOM 334 CG LEU A 22 -9.850 6.561 30.824 1.00 0.49 C ATOM 335 CD1 LEU A 22 -8.467 7.234 30.851 1.00 0.52 C ATOM 336 CD2 LEU A 22 -10.830 7.378 31.679 1.00 0.53 C ATOM 0 H LEU A 22 -11.385 4.472 30.515 1.00 0.52 H new ATOM 0 HA LEU A 22 -12.379 7.048 29.806 1.00 0.61 H new ATOM 0 HB2 LEU A 22 -9.847 5.635 28.860 1.00 0.59 H new ATOM 0 HB3 LEU A 22 -10.143 7.362 28.827 1.00 0.59 H new ATOM 0 HG LEU A 22 -9.768 5.555 31.235 1.00 0.49 H new ATOM 0 HD11 LEU A 22 -8.118 7.308 31.881 1.00 0.52 H new ATOM 0 HD12 LEU A 22 -7.761 6.639 30.271 1.00 0.52 H new ATOM 0 HD13 LEU A 22 -8.540 8.233 30.420 1.00 0.52 H new ATOM 0 HD21 LEU A 22 -10.451 7.450 32.699 1.00 0.53 H new ATOM 0 HD22 LEU A 22 -10.933 8.379 31.259 1.00 0.53 H new ATOM 0 HD23 LEU A 22 -11.803 6.886 31.687 1.00 0.53 H new ATOM 348 N ILE A 23 -12.283 4.784 27.395 1.00 0.72 N ATOM 349 CA ILE A 23 -12.806 4.580 26.018 1.00 0.85 C ATOM 350 C ILE A 23 -14.278 4.979 25.994 1.00 0.92 C ATOM 351 O ILE A 23 -14.772 5.500 25.012 1.00 1.05 O ATOM 352 CB ILE A 23 -12.706 3.102 25.619 1.00 0.82 C ATOM 353 CG1 ILE A 23 -11.237 2.698 25.451 1.00 0.96 C ATOM 354 CG2 ILE A 23 -13.450 2.874 24.295 1.00 0.77 C ATOM 355 CD1 ILE A 23 -11.145 1.204 25.116 1.00 0.91 C ATOM 0 H ILE A 23 -11.884 3.960 27.844 1.00 0.72 H new ATOM 0 HA ILE A 23 -12.221 5.183 25.324 1.00 0.85 H new ATOM 0 HB ILE A 23 -13.157 2.494 26.404 1.00 0.82 H new ATOM 0 HG12 ILE A 23 -10.777 3.287 24.658 1.00 0.96 H new ATOM 0 HG13 ILE A 23 -10.685 2.910 26.367 1.00 0.96 H new ATOM 0 HG21 ILE A 23 -13.378 1.824 24.013 1.00 0.77 H new ATOM 0 HG22 ILE A 23 -14.499 3.146 24.415 1.00 0.77 H new ATOM 0 HG23 ILE A 23 -13.002 3.490 23.515 1.00 0.77 H new ATOM 0 HD11 ILE A 23 -10.099 0.921 24.997 1.00 0.91 H new ATOM 0 HD12 ILE A 23 -11.589 0.622 25.924 1.00 0.91 H new ATOM 0 HD13 ILE A 23 -11.682 1.005 24.188 1.00 0.91 H new ATOM 367 N HIS A 24 -15.001 4.741 27.062 1.00 0.86 N ATOM 368 CA HIS A 24 -16.452 5.128 27.044 1.00 0.96 C ATOM 369 C HIS A 24 -16.639 6.619 27.341 1.00 0.99 C ATOM 370 O HIS A 24 -17.517 7.251 26.786 1.00 1.15 O ATOM 371 CB HIS A 24 -17.245 4.344 28.086 1.00 0.93 C ATOM 372 CG HIS A 24 -17.292 2.897 27.722 1.00 0.88 C ATOM 373 ND1 HIS A 24 -17.833 2.421 26.517 1.00 0.98 N ATOM 374 CD2 HIS A 24 -16.869 1.798 28.404 1.00 0.75 C ATOM 375 CE1 HIS A 24 -17.710 1.075 26.526 1.00 0.90 C ATOM 376 NE2 HIS A 24 -17.139 0.684 27.654 1.00 0.75 N ATOM 0 H HIS A 24 -14.665 4.309 27.923 1.00 0.86 H new ATOM 0 HA HIS A 24 -16.818 4.900 26.043 1.00 0.96 H new ATOM 0 HB2 HIS A 24 -16.787 4.464 29.068 1.00 0.93 H new ATOM 0 HB3 HIS A 24 -18.258 4.741 28.156 1.00 0.93 H new ATOM 0 HD1 HIS A 24 -18.243 2.986 25.773 1.00 0.98 H new ATOM 0 HD2 HIS A 24 -16.398 1.803 29.376 1.00 0.75 H new ATOM 0 HE1 HIS A 24 -18.030 0.417 25.732 1.00 0.90 H new ATOM 384 N SER A 25 -15.845 7.204 28.207 1.00 0.87 N ATOM 385 CA SER A 25 -16.022 8.653 28.503 1.00 0.92 C ATOM 386 C SER A 25 -15.290 9.462 27.436 1.00 0.84 C ATOM 387 O SER A 25 -15.885 10.230 26.716 1.00 0.86 O ATOM 388 CB SER A 25 -15.438 8.962 29.889 1.00 0.98 C ATOM 389 OG SER A 25 -15.676 7.862 30.756 1.00 1.22 O ATOM 0 H SER A 25 -15.090 6.742 28.715 1.00 0.87 H new ATOM 0 HA SER A 25 -17.080 8.914 28.498 1.00 0.92 H new ATOM 0 HB2 SER A 25 -14.368 9.153 29.811 1.00 0.98 H new ATOM 0 HB3 SER A 25 -15.894 9.865 30.295 1.00 0.98 H new ATOM 0 HG SER A 25 -15.303 8.056 31.641 1.00 1.22 H new ATOM 395 N ASP A 26 -14.006 9.257 27.336 1.00 0.80 N ATOM 396 CA ASP A 26 -13.157 9.954 26.317 1.00 0.74 C ATOM 397 C ASP A 26 -12.462 11.165 26.947 1.00 0.72 C ATOM 398 O ASP A 26 -12.545 12.279 26.466 1.00 0.84 O ATOM 399 CB ASP A 26 -13.983 10.362 25.082 1.00 0.86 C ATOM 400 CG ASP A 26 -14.697 11.703 25.306 1.00 1.65 C ATOM 401 OD1 ASP A 26 -14.795 12.122 26.446 1.00 2.33 O ATOM 402 OD2 ASP A 26 -15.142 12.281 24.328 1.00 1.85 O ATOM 0 H ASP A 26 -13.490 8.614 27.937 1.00 0.80 H new ATOM 0 HA ASP A 26 -12.391 9.258 25.975 1.00 0.74 H new ATOM 0 HB2 ASP A 26 -13.329 10.436 24.213 1.00 0.86 H new ATOM 0 HB3 ASP A 26 -14.719 9.588 24.862 1.00 0.86 H new ATOM 407 N THR A 27 -11.754 10.941 28.017 1.00 0.66 N ATOM 408 CA THR A 27 -11.029 12.055 28.683 1.00 0.73 C ATOM 409 C THR A 27 -9.963 12.598 27.725 1.00 0.65 C ATOM 410 O THR A 27 -9.835 13.790 27.536 1.00 0.70 O ATOM 411 CB THR A 27 -10.359 11.538 29.960 1.00 0.82 C ATOM 412 OG1 THR A 27 -9.277 12.392 30.308 1.00 0.85 O ATOM 413 CG2 THR A 27 -9.835 10.121 29.729 1.00 1.04 C ATOM 0 H THR A 27 -11.646 10.029 28.461 1.00 0.66 H new ATOM 0 HA THR A 27 -11.729 12.849 28.943 1.00 0.73 H new ATOM 0 HB THR A 27 -11.089 11.526 30.770 1.00 0.82 H new ATOM 0 HG1 THR A 27 -8.850 12.062 31.126 1.00 0.85 H new ATOM 0 HG21 THR A 27 -9.359 9.756 30.639 1.00 1.04 H new ATOM 0 HG22 THR A 27 -10.664 9.465 29.465 1.00 1.04 H new ATOM 0 HG23 THR A 27 -9.107 10.130 28.918 1.00 1.04 H new ATOM 421 N ARG A 28 -9.205 11.723 27.116 1.00 0.58 N ATOM 422 CA ARG A 28 -8.144 12.162 26.156 1.00 0.55 C ATOM 423 C ARG A 28 -7.495 13.466 26.637 1.00 0.56 C ATOM 424 O ARG A 28 -7.640 14.499 26.013 1.00 0.65 O ATOM 425 CB ARG A 28 -8.768 12.392 24.773 1.00 0.63 C ATOM 426 CG ARG A 28 -9.810 11.305 24.474 1.00 0.62 C ATOM 427 CD ARG A 28 -9.118 9.956 24.234 1.00 0.71 C ATOM 428 NE ARG A 28 -9.690 8.937 25.161 1.00 0.70 N ATOM 429 CZ ARG A 28 -9.614 7.667 24.864 1.00 0.68 C ATOM 430 NH1 ARG A 28 -9.033 7.291 23.757 1.00 0.94 N ATOM 431 NH2 ARG A 28 -10.115 6.776 25.674 1.00 0.84 N ATOM 0 H ARG A 28 -9.275 10.713 27.243 1.00 0.58 H new ATOM 0 HA ARG A 28 -7.382 11.385 26.097 1.00 0.55 H new ATOM 0 HB2 ARG A 28 -9.237 13.375 24.737 1.00 0.63 H new ATOM 0 HB3 ARG A 28 -7.991 12.381 24.009 1.00 0.63 H new ATOM 0 HG2 ARG A 28 -10.507 11.221 25.308 1.00 0.62 H new ATOM 0 HG3 ARG A 28 -10.394 11.583 23.597 1.00 0.62 H new ATOM 0 HD2 ARG A 28 -9.257 9.642 23.199 1.00 0.71 H new ATOM 0 HD3 ARG A 28 -8.044 10.051 24.397 1.00 0.71 H new ATOM 0 HE ARG A 28 -10.141 9.232 26.027 1.00 0.70 H new ATOM 0 HH11 ARG A 28 -8.639 7.988 23.125 1.00 0.94 H new ATOM 0 HH12 ARG A 28 -8.973 6.300 23.524 1.00 0.94 H new ATOM 0 HH21 ARG A 28 -10.566 7.071 26.540 1.00 0.84 H new ATOM 0 HH22 ARG A 28 -10.055 5.785 25.442 1.00 0.84 H new ATOM 445 N PRO A 29 -6.804 13.428 27.746 1.00 0.54 N ATOM 446 CA PRO A 29 -6.139 14.625 28.314 1.00 0.62 C ATOM 447 C PRO A 29 -4.708 14.842 27.797 1.00 0.62 C ATOM 448 O PRO A 29 -3.964 15.635 28.344 1.00 0.70 O ATOM 449 CB PRO A 29 -6.133 14.317 29.813 1.00 0.63 C ATOM 450 CG PRO A 29 -6.059 12.821 29.914 1.00 0.54 C ATOM 451 CD PRO A 29 -6.566 12.244 28.581 1.00 0.49 C ATOM 0 HA PRO A 29 -6.655 15.545 28.038 1.00 0.62 H new ATOM 0 HB2 PRO A 29 -5.282 14.786 30.307 1.00 0.63 H new ATOM 0 HB3 PRO A 29 -7.032 14.699 30.296 1.00 0.63 H new ATOM 0 HG2 PRO A 29 -5.035 12.500 30.107 1.00 0.54 H new ATOM 0 HG3 PRO A 29 -6.668 12.462 30.744 1.00 0.54 H new ATOM 0 HD2 PRO A 29 -5.830 11.579 28.129 1.00 0.49 H new ATOM 0 HD3 PRO A 29 -7.478 11.664 28.719 1.00 0.49 H new ATOM 459 N TYR A 30 -4.306 14.140 26.762 1.00 0.57 N ATOM 460 CA TYR A 30 -2.915 14.312 26.232 1.00 0.59 C ATOM 461 C TYR A 30 -2.981 14.840 24.790 1.00 0.60 C ATOM 462 O TYR A 30 -2.978 14.077 23.844 1.00 0.58 O ATOM 463 CB TYR A 30 -2.203 12.956 26.265 1.00 0.54 C ATOM 464 CG TYR A 30 -1.967 12.563 27.705 1.00 0.53 C ATOM 465 CD1 TYR A 30 -1.024 13.256 28.475 1.00 0.61 C ATOM 466 CD2 TYR A 30 -2.700 11.514 28.277 1.00 0.48 C ATOM 467 CE1 TYR A 30 -0.815 12.903 29.812 1.00 0.63 C ATOM 468 CE2 TYR A 30 -2.487 11.159 29.614 1.00 0.50 C ATOM 469 CZ TYR A 30 -1.546 11.855 30.382 1.00 0.58 C ATOM 470 OH TYR A 30 -1.340 11.508 31.703 1.00 0.63 O ATOM 0 H TYR A 30 -4.879 13.459 26.264 1.00 0.57 H new ATOM 0 HA TYR A 30 -2.364 15.026 26.844 1.00 0.59 H new ATOM 0 HB2 TYR A 30 -2.807 12.201 25.762 1.00 0.54 H new ATOM 0 HB3 TYR A 30 -1.255 13.015 25.730 1.00 0.54 H new ATOM 0 HD1 TYR A 30 -0.458 14.064 28.036 1.00 0.61 H new ATOM 0 HD2 TYR A 30 -3.429 10.980 27.686 1.00 0.48 H new ATOM 0 HE1 TYR A 30 -0.089 13.440 30.405 1.00 0.63 H new ATOM 0 HE2 TYR A 30 -3.049 10.348 30.053 1.00 0.50 H new ATOM 0 HH TYR A 30 -1.929 10.762 31.941 1.00 0.63 H new ATOM 480 N PRO A 31 -3.068 16.139 24.628 1.00 0.68 N ATOM 481 CA PRO A 31 -3.172 16.786 23.289 1.00 0.72 C ATOM 482 C PRO A 31 -1.817 17.033 22.605 1.00 0.71 C ATOM 483 O PRO A 31 -0.902 17.583 23.186 1.00 0.76 O ATOM 484 CB PRO A 31 -3.874 18.104 23.613 0.50 0.81 C ATOM 485 CG PRO A 31 -3.409 18.457 24.990 0.50 0.85 C ATOM 486 CD PRO A 31 -3.084 17.138 25.707 0.50 0.76 C ATOM 0 HA PRO A 31 -3.699 16.154 22.575 1.00 0.72 H new ATOM 0 HB2 PRO A 31 -3.609 18.880 22.895 0.50 0.81 H new ATOM 0 HB3 PRO A 31 -4.958 17.994 23.578 0.50 0.81 H new ATOM 0 HG2 PRO A 31 -2.529 19.099 24.947 0.50 0.85 H new ATOM 0 HG3 PRO A 31 -4.180 19.008 25.528 0.50 0.85 H new ATOM 0 HD2 PRO A 31 -2.123 17.188 26.218 0.50 0.76 H new ATOM 0 HD3 PRO A 31 -3.834 16.899 26.461 0.50 0.76 H new ATOM 494 N CYS A 32 -1.706 16.643 21.365 1.00 0.68 N ATOM 495 CA CYS A 32 -0.444 16.854 20.603 1.00 0.68 C ATOM 496 C CYS A 32 -0.025 18.316 20.666 1.00 0.77 C ATOM 497 O CYS A 32 -0.828 19.222 20.572 1.00 0.83 O ATOM 498 CB CYS A 32 -0.658 16.459 19.143 1.00 0.67 C ATOM 499 SG CYS A 32 0.548 17.303 18.083 1.00 0.71 S ATOM 0 H CYS A 32 -2.448 16.180 20.840 1.00 0.68 H new ATOM 0 HA CYS A 32 0.339 16.238 21.046 1.00 0.68 H new ATOM 0 HB2 CYS A 32 -0.558 15.379 19.032 1.00 0.67 H new ATOM 0 HB3 CYS A 32 -1.670 16.719 18.833 1.00 0.67 H new ATOM 504 N GLN A 33 1.250 18.527 20.820 1.00 0.80 N ATOM 505 CA GLN A 33 1.788 19.905 20.890 1.00 0.88 C ATOM 506 C GLN A 33 1.957 20.480 19.478 1.00 0.90 C ATOM 507 O GLN A 33 2.026 21.677 19.317 1.00 0.98 O ATOM 508 CB GLN A 33 3.153 19.899 21.607 1.00 0.92 C ATOM 509 CG GLN A 33 3.681 18.465 21.735 1.00 0.89 C ATOM 510 CD GLN A 33 2.896 17.721 22.818 1.00 0.85 C ATOM 511 OE1 GLN A 33 2.157 16.697 22.488 1.00 1.13 O flip ATOM 512 NE2 GLN A 33 2.959 18.072 23.979 1.00 1.05 N flip ATOM 0 H GLN A 33 1.950 17.790 20.901 1.00 0.80 H new ATOM 0 HA GLN A 33 1.087 20.526 21.448 1.00 0.88 H new ATOM 0 HB2 GLN A 33 3.866 20.508 21.051 1.00 0.92 H new ATOM 0 HB3 GLN A 33 3.054 20.347 22.596 1.00 0.92 H new ATOM 0 HG2 GLN A 33 3.586 17.946 20.781 1.00 0.89 H new ATOM 0 HG3 GLN A 33 4.742 18.479 21.986 1.00 0.89 H new ATOM 0 HE21 GLN A 33 3.536 18.872 24.239 1.00 1.05 H new ATOM 0 HE22 GLN A 33 2.435 17.567 24.694 1.00 1.05 H new ATOM 521 N TYR A 34 2.039 19.661 18.454 1.00 0.83 N ATOM 522 CA TYR A 34 2.226 20.242 17.088 1.00 0.85 C ATOM 523 C TYR A 34 0.931 20.213 16.270 1.00 0.90 C ATOM 524 O TYR A 34 0.333 21.242 16.024 1.00 0.99 O ATOM 525 CB TYR A 34 3.308 19.474 16.339 1.00 0.78 C ATOM 526 CG TYR A 34 4.521 19.346 17.224 1.00 0.75 C ATOM 527 CD1 TYR A 34 4.558 18.350 18.200 1.00 0.71 C ATOM 528 CD2 TYR A 34 5.603 20.223 17.072 1.00 0.79 C ATOM 529 CE1 TYR A 34 5.676 18.227 19.033 1.00 0.71 C ATOM 530 CE2 TYR A 34 6.723 20.100 17.901 1.00 0.79 C ATOM 531 CZ TYR A 34 6.759 19.102 18.882 1.00 0.75 C ATOM 532 OH TYR A 34 7.861 18.981 19.703 1.00 0.78 O ATOM 0 H TYR A 34 1.986 18.644 18.502 1.00 0.83 H new ATOM 0 HA TYR A 34 2.523 21.283 17.217 1.00 0.85 H new ATOM 0 HB2 TYR A 34 2.942 18.487 16.057 1.00 0.78 H new ATOM 0 HB3 TYR A 34 3.568 19.993 15.417 1.00 0.78 H new ATOM 0 HD1 TYR A 34 3.724 17.674 18.313 1.00 0.71 H new ATOM 0 HD2 TYR A 34 5.572 20.993 16.316 1.00 0.79 H new ATOM 0 HE1 TYR A 34 5.703 17.458 19.791 1.00 0.71 H new ATOM 0 HE2 TYR A 34 7.559 20.774 17.784 1.00 0.79 H new ATOM 0 HH TYR A 34 8.522 19.664 19.466 1.00 0.78 H new ATOM 542 N CYS A 35 0.510 19.059 15.799 1.00 0.87 N ATOM 543 CA CYS A 35 -0.731 19.028 14.940 1.00 0.93 C ATOM 544 C CYS A 35 -2.029 19.111 15.785 1.00 0.95 C ATOM 545 O CYS A 35 -3.056 19.523 15.283 1.00 1.04 O ATOM 546 CB CYS A 35 -0.739 17.821 13.977 1.00 0.91 C ATOM 547 SG CYS A 35 -0.958 16.254 14.840 1.00 0.81 S ATOM 0 H CYS A 35 0.956 18.157 15.964 1.00 0.87 H new ATOM 0 HA CYS A 35 -0.706 19.924 14.320 1.00 0.93 H new ATOM 0 HB2 CYS A 35 -1.540 17.946 13.249 1.00 0.91 H new ATOM 0 HB3 CYS A 35 0.198 17.798 13.420 1.00 0.91 H new ATOM 552 N GLY A 36 -1.987 18.811 17.069 1.00 0.88 N ATOM 553 CA GLY A 36 -3.218 18.985 17.925 1.00 0.91 C ATOM 554 C GLY A 36 -4.009 17.692 18.207 1.00 0.85 C ATOM 555 O GLY A 36 -4.936 17.717 18.995 1.00 0.88 O ATOM 0 H GLY A 36 -1.165 18.457 17.558 1.00 0.88 H new ATOM 0 HA2 GLY A 36 -2.920 19.425 18.877 1.00 0.91 H new ATOM 0 HA3 GLY A 36 -3.882 19.699 17.438 1.00 0.91 H new ATOM 559 N LYS A 37 -3.707 16.575 17.611 1.00 0.78 N ATOM 560 CA LYS A 37 -4.531 15.360 17.929 1.00 0.75 C ATOM 561 C LYS A 37 -4.612 15.177 19.465 1.00 0.70 C ATOM 562 O LYS A 37 -3.905 15.822 20.207 1.00 0.70 O ATOM 563 CB LYS A 37 -3.919 14.119 17.255 1.00 0.72 C ATOM 564 CG LYS A 37 -4.684 13.807 15.961 1.00 0.80 C ATOM 565 CD LYS A 37 -3.837 12.905 15.053 1.00 0.88 C ATOM 566 CE LYS A 37 -4.756 12.108 14.120 1.00 1.51 C ATOM 567 NZ LYS A 37 -5.086 10.797 14.751 1.00 2.38 N ATOM 0 H LYS A 37 -2.952 16.443 16.938 1.00 0.78 H new ATOM 0 HA LYS A 37 -5.542 15.491 17.542 1.00 0.75 H new ATOM 0 HB2 LYS A 37 -2.866 14.295 17.034 1.00 0.72 H new ATOM 0 HB3 LYS A 37 -3.965 13.265 17.931 1.00 0.72 H new ATOM 0 HG2 LYS A 37 -5.628 13.316 16.197 1.00 0.80 H new ATOM 0 HG3 LYS A 37 -4.928 14.733 15.441 1.00 0.80 H new ATOM 0 HD2 LYS A 37 -3.143 13.509 14.468 1.00 0.88 H new ATOM 0 HD3 LYS A 37 -3.236 12.225 15.657 1.00 0.88 H new ATOM 0 HE2 LYS A 37 -5.669 12.670 13.924 1.00 1.51 H new ATOM 0 HE3 LYS A 37 -4.267 11.949 13.159 1.00 1.51 H new ATOM 0 HZ1 LYS A 37 -5.709 10.255 14.119 1.00 2.38 H new ATOM 0 HZ2 LYS A 37 -4.210 10.261 14.916 1.00 2.38 H new ATOM 0 HZ3 LYS A 37 -5.569 10.960 15.658 1.00 2.38 H new ATOM 581 N ARG A 38 -5.474 14.310 19.945 1.00 0.68 N ATOM 582 CA ARG A 38 -5.604 14.092 21.430 1.00 0.64 C ATOM 583 C ARG A 38 -5.434 12.605 21.733 1.00 0.55 C ATOM 584 O ARG A 38 -6.026 11.762 21.090 1.00 0.55 O ATOM 585 CB ARG A 38 -6.987 14.556 21.926 1.00 0.69 C ATOM 586 CG ARG A 38 -7.294 15.972 21.407 1.00 0.77 C ATOM 587 CD ARG A 38 -8.351 15.905 20.302 1.00 0.92 C ATOM 588 NE ARG A 38 -7.746 15.305 19.073 1.00 1.01 N ATOM 589 CZ ARG A 38 -8.293 14.267 18.489 1.00 1.23 C ATOM 590 NH1 ARG A 38 -9.352 13.697 19.000 1.00 1.46 N ATOM 591 NH2 ARG A 38 -7.768 13.794 17.392 1.00 1.47 N ATOM 0 H ARG A 38 -6.097 13.740 19.373 1.00 0.68 H new ATOM 0 HA ARG A 38 -4.835 14.672 21.941 1.00 0.64 H new ATOM 0 HB2 ARG A 38 -7.755 13.862 21.584 1.00 0.69 H new ATOM 0 HB3 ARG A 38 -7.012 14.548 23.016 1.00 0.69 H new ATOM 0 HG2 ARG A 38 -7.650 16.599 22.225 1.00 0.77 H new ATOM 0 HG3 ARG A 38 -6.384 16.433 21.024 1.00 0.77 H new ATOM 0 HD2 ARG A 38 -9.201 15.307 20.632 1.00 0.92 H new ATOM 0 HD3 ARG A 38 -8.729 16.904 20.084 1.00 0.92 H new ATOM 0 HE ARG A 38 -6.895 15.710 18.683 1.00 1.01 H new ATOM 0 HH11 ARG A 38 -9.761 14.059 19.861 1.00 1.46 H new ATOM 0 HH12 ARG A 38 -9.770 12.890 18.537 1.00 1.46 H new ATOM 0 HH21 ARG A 38 -6.937 14.232 16.994 1.00 1.47 H new ATOM 0 HH22 ARG A 38 -8.189 12.986 16.932 1.00 1.47 H new ATOM 605 N PHE A 39 -4.633 12.277 22.721 1.00 0.51 N ATOM 606 CA PHE A 39 -4.415 10.844 23.080 1.00 0.43 C ATOM 607 C PHE A 39 -4.874 10.592 24.518 1.00 0.41 C ATOM 608 O PHE A 39 -5.109 11.517 25.284 1.00 0.46 O ATOM 609 CB PHE A 39 -2.927 10.514 22.978 1.00 0.42 C ATOM 610 CG PHE A 39 -2.465 10.749 21.567 1.00 0.42 C ATOM 611 CD1 PHE A 39 -2.526 9.710 20.635 1.00 0.43 C ATOM 612 CD2 PHE A 39 -1.986 12.007 21.190 1.00 0.47 C ATOM 613 CE1 PHE A 39 -2.109 9.929 19.320 1.00 0.47 C ATOM 614 CE2 PHE A 39 -1.566 12.226 19.876 1.00 0.49 C ATOM 615 CZ PHE A 39 -1.629 11.187 18.940 1.00 0.48 C ATOM 0 H PHE A 39 -4.120 12.946 23.295 1.00 0.51 H new ATOM 0 HA PHE A 39 -4.987 10.217 22.395 1.00 0.43 H new ATOM 0 HB2 PHE A 39 -2.356 11.135 23.669 1.00 0.42 H new ATOM 0 HB3 PHE A 39 -2.752 9.477 23.263 1.00 0.42 H new ATOM 0 HD1 PHE A 39 -2.895 8.739 20.931 1.00 0.43 H new ATOM 0 HD2 PHE A 39 -1.941 12.808 21.913 1.00 0.47 H new ATOM 0 HE1 PHE A 39 -2.157 9.128 18.597 1.00 0.47 H new ATOM 0 HE2 PHE A 39 -1.193 13.196 19.582 1.00 0.49 H new ATOM 0 HZ PHE A 39 -1.307 11.357 17.923 1.00 0.48 H new ATOM 625 N HIS A 40 -5.001 9.340 24.887 1.00 0.36 N ATOM 626 CA HIS A 40 -5.451 8.997 26.265 1.00 0.34 C ATOM 627 C HIS A 40 -4.266 8.553 27.138 1.00 0.34 C ATOM 628 O HIS A 40 -4.451 8.191 28.284 1.00 0.39 O ATOM 629 CB HIS A 40 -6.485 7.867 26.191 1.00 0.33 C ATOM 630 CG HIS A 40 -6.262 7.064 24.940 1.00 0.41 C ATOM 631 ND1 HIS A 40 -6.457 7.597 23.676 1.00 0.62 N ATOM 632 CD2 HIS A 40 -5.854 5.767 24.741 1.00 0.68 C ATOM 633 CE1 HIS A 40 -6.170 6.634 22.781 1.00 0.75 C ATOM 634 NE2 HIS A 40 -5.797 5.498 23.377 1.00 0.79 N ATOM 0 H HIS A 40 -4.810 8.539 24.286 1.00 0.36 H new ATOM 0 HA HIS A 40 -5.895 9.884 26.717 1.00 0.34 H new ATOM 0 HB2 HIS A 40 -6.401 7.225 27.068 1.00 0.33 H new ATOM 0 HB3 HIS A 40 -7.493 8.281 26.195 1.00 0.33 H new ATOM 0 HD2 HIS A 40 -5.614 5.063 25.524 1.00 0.68 H new ATOM 0 HE1 HIS A 40 -6.233 6.764 21.711 1.00 0.75 H new ATOM 0 HE2 HIS A 40 -5.528 4.622 22.929 1.00 0.79 H new ATOM 642 N GLN A 41 -3.054 8.574 26.634 1.00 0.31 N ATOM 643 CA GLN A 41 -1.902 8.146 27.496 1.00 0.35 C ATOM 644 C GLN A 41 -0.635 8.941 27.157 1.00 0.37 C ATOM 645 O GLN A 41 -0.132 8.889 26.056 1.00 0.36 O ATOM 646 CB GLN A 41 -1.615 6.654 27.300 1.00 0.35 C ATOM 647 CG GLN A 41 -2.918 5.854 27.303 1.00 0.55 C ATOM 648 CD GLN A 41 -2.580 4.365 27.171 1.00 0.65 C ATOM 649 OE1 GLN A 41 -1.461 4.016 26.856 1.00 1.02 O ATOM 650 NE2 GLN A 41 -3.503 3.470 27.402 1.00 1.15 N ATOM 0 H GLN A 41 -2.814 8.862 25.685 1.00 0.31 H new ATOM 0 HA GLN A 41 -2.178 8.337 28.533 1.00 0.35 H new ATOM 0 HB2 GLN A 41 -1.088 6.499 26.358 1.00 0.35 H new ATOM 0 HB3 GLN A 41 -0.960 6.296 28.094 1.00 0.35 H new ATOM 0 HG2 GLN A 41 -3.471 6.036 28.225 1.00 0.55 H new ATOM 0 HG3 GLN A 41 -3.558 6.171 26.479 1.00 0.55 H new ATOM 0 HE21 GLN A 41 -4.443 3.764 27.667 1.00 1.15 H new ATOM 0 HE22 GLN A 41 -3.283 2.477 27.318 1.00 1.15 H new ATOM 659 N LYS A 42 -0.128 9.677 28.100 1.00 0.43 N ATOM 660 CA LYS A 42 1.099 10.495 27.872 1.00 0.47 C ATOM 661 C LYS A 42 2.105 9.776 26.968 1.00 0.44 C ATOM 662 O LYS A 42 2.359 10.190 25.851 1.00 0.48 O ATOM 663 CB LYS A 42 1.750 10.749 29.227 1.00 0.56 C ATOM 664 CG LYS A 42 2.965 11.649 29.060 1.00 0.62 C ATOM 665 CD LYS A 42 3.566 11.925 30.431 1.00 0.75 C ATOM 666 CE LYS A 42 4.476 13.140 30.337 1.00 1.12 C ATOM 667 NZ LYS A 42 5.240 13.062 29.062 1.00 2.07 N ATOM 0 H LYS A 42 -0.517 9.750 29.040 1.00 0.43 H new ATOM 0 HA LYS A 42 0.813 11.424 27.379 1.00 0.47 H new ATOM 0 HB2 LYS A 42 1.033 11.214 29.903 1.00 0.56 H new ATOM 0 HB3 LYS A 42 2.047 9.803 29.680 1.00 0.56 H new ATOM 0 HG2 LYS A 42 3.702 11.171 28.414 1.00 0.62 H new ATOM 0 HG3 LYS A 42 2.678 12.584 28.579 1.00 0.62 H new ATOM 0 HD2 LYS A 42 2.775 12.102 31.160 1.00 0.75 H new ATOM 0 HD3 LYS A 42 4.130 11.058 30.776 1.00 0.75 H new ATOM 0 HE2 LYS A 42 3.888 14.057 30.370 1.00 1.12 H new ATOM 0 HE3 LYS A 42 5.159 13.168 31.186 1.00 1.12 H new ATOM 0 HZ1 LYS A 42 6.084 13.666 29.126 1.00 2.07 H new ATOM 0 HZ2 LYS A 42 5.530 12.078 28.891 1.00 2.07 H new ATOM 0 HZ3 LYS A 42 4.640 13.387 28.277 1.00 2.07 H new ATOM 681 N SER A 43 2.713 8.728 27.446 1.00 0.45 N ATOM 682 CA SER A 43 3.725 8.004 26.626 1.00 0.45 C ATOM 683 C SER A 43 3.190 7.737 25.222 1.00 0.41 C ATOM 684 O SER A 43 3.936 7.669 24.271 1.00 0.42 O ATOM 685 CB SER A 43 4.050 6.688 27.327 1.00 0.52 C ATOM 686 OG SER A 43 4.304 6.963 28.703 1.00 1.35 O ATOM 0 H SER A 43 2.552 8.339 28.375 1.00 0.45 H new ATOM 0 HA SER A 43 4.625 8.611 26.527 1.00 0.45 H new ATOM 0 HB2 SER A 43 3.219 5.989 27.227 1.00 0.52 H new ATOM 0 HB3 SER A 43 4.919 6.218 26.867 1.00 0.52 H new ATOM 0 HG SER A 43 4.513 6.127 29.170 1.00 1.35 H new ATOM 692 N ASP A 44 1.902 7.623 25.073 1.00 0.39 N ATOM 693 CA ASP A 44 1.347 7.399 23.707 1.00 0.39 C ATOM 694 C ASP A 44 1.422 8.720 22.939 1.00 0.37 C ATOM 695 O ASP A 44 1.800 8.752 21.777 1.00 0.41 O ATOM 696 CB ASP A 44 -0.090 6.873 23.787 1.00 0.43 C ATOM 697 CG ASP A 44 -0.066 5.453 24.354 1.00 0.53 C ATOM 698 OD1 ASP A 44 1.022 4.922 24.523 1.00 0.83 O ATOM 699 OD2 ASP A 44 -1.130 4.920 24.610 1.00 0.66 O ATOM 0 H ASP A 44 1.215 7.674 25.825 1.00 0.39 H new ATOM 0 HA ASP A 44 1.930 6.643 23.181 1.00 0.39 H new ATOM 0 HB2 ASP A 44 -0.694 7.522 24.421 1.00 0.43 H new ATOM 0 HB3 ASP A 44 -0.548 6.876 22.798 1.00 0.43 H new ATOM 704 N MET A 45 1.136 9.823 23.569 1.00 0.37 N ATOM 705 CA MET A 45 1.271 11.116 22.859 1.00 0.39 C ATOM 706 C MET A 45 2.756 11.354 22.621 1.00 0.39 C ATOM 707 O MET A 45 3.183 11.704 21.550 1.00 0.45 O ATOM 708 CB MET A 45 0.730 12.246 23.737 0.50 0.44 C ATOM 709 CG MET A 45 1.132 13.605 23.138 0.50 0.54 C ATOM 710 SD MET A 45 2.432 14.355 24.152 1.00 0.60 S ATOM 711 CE MET A 45 1.447 14.604 25.650 1.00 0.64 C ATOM 0 H MET A 45 0.818 9.883 24.536 1.00 0.37 H new ATOM 0 HA MET A 45 0.716 11.093 21.921 1.00 0.39 H new ATOM 0 HB2 MET A 45 -0.355 12.176 23.809 0.50 0.44 H new ATOM 0 HB3 MET A 45 1.123 12.153 24.749 0.50 0.44 H new ATOM 0 HG2 MET A 45 1.485 13.473 22.115 0.50 0.54 H new ATOM 0 HG3 MET A 45 0.266 14.265 23.093 0.50 0.54 H new ATOM 0 HE1 MET A 45 1.736 15.542 26.123 1.00 0.64 H new ATOM 0 HE2 MET A 45 0.389 14.640 25.388 1.00 0.64 H new ATOM 0 HE3 MET A 45 1.622 13.780 26.342 1.00 0.64 H new ATOM 721 N LYS A 46 3.552 11.172 23.637 1.00 0.37 N ATOM 722 CA LYS A 46 5.008 11.388 23.470 1.00 0.38 C ATOM 723 C LYS A 46 5.457 10.562 22.271 1.00 0.33 C ATOM 724 O LYS A 46 6.258 10.994 21.467 1.00 0.34 O ATOM 725 CB LYS A 46 5.736 10.940 24.736 1.00 0.43 C ATOM 726 CG LYS A 46 7.213 11.324 24.649 1.00 0.54 C ATOM 727 CD LYS A 46 7.952 10.746 25.854 1.00 0.71 C ATOM 728 CE LYS A 46 9.399 11.232 25.846 1.00 1.07 C ATOM 729 NZ LYS A 46 10.191 10.458 26.842 1.00 1.68 N ATOM 0 H LYS A 46 3.256 10.884 24.570 1.00 0.37 H new ATOM 0 HA LYS A 46 5.235 12.441 23.304 1.00 0.38 H new ATOM 0 HB2 LYS A 46 5.281 11.404 25.611 1.00 0.43 H new ATOM 0 HB3 LYS A 46 5.638 9.862 24.860 1.00 0.43 H new ATOM 0 HG2 LYS A 46 7.647 10.943 23.724 1.00 0.54 H new ATOM 0 HG3 LYS A 46 7.319 12.409 24.628 1.00 0.54 H new ATOM 0 HD2 LYS A 46 7.460 11.052 26.777 1.00 0.71 H new ATOM 0 HD3 LYS A 46 7.923 9.657 25.823 1.00 0.71 H new ATOM 0 HE2 LYS A 46 9.828 11.111 24.852 1.00 1.07 H new ATOM 0 HE3 LYS A 46 9.438 12.295 26.083 1.00 1.07 H new ATOM 0 HZ1 LYS A 46 11.177 10.790 26.836 1.00 1.68 H new ATOM 0 HZ2 LYS A 46 9.786 10.595 27.790 1.00 1.68 H new ATOM 0 HZ3 LYS A 46 10.165 9.448 26.597 1.00 1.68 H new ATOM 743 N LYS A 47 4.897 9.391 22.113 1.00 0.32 N ATOM 744 CA LYS A 47 5.246 8.577 20.922 1.00 0.32 C ATOM 745 C LYS A 47 4.778 9.386 19.733 1.00 0.31 C ATOM 746 O LYS A 47 5.396 9.416 18.684 1.00 0.36 O ATOM 747 CB LYS A 47 4.506 7.228 20.929 1.00 0.37 C ATOM 748 CG LYS A 47 5.227 6.243 21.851 1.00 0.49 C ATOM 749 CD LYS A 47 4.361 4.993 22.082 1.00 0.59 C ATOM 750 CE LYS A 47 4.564 3.988 20.944 1.00 0.79 C ATOM 751 NZ LYS A 47 3.895 2.700 21.293 1.00 1.12 N ATOM 0 H LYS A 47 4.221 8.971 22.751 1.00 0.32 H new ATOM 0 HA LYS A 47 6.314 8.362 20.900 1.00 0.32 H new ATOM 0 HB2 LYS A 47 3.479 7.369 21.265 1.00 0.37 H new ATOM 0 HB3 LYS A 47 4.458 6.824 19.918 1.00 0.37 H new ATOM 0 HG2 LYS A 47 6.182 5.955 21.411 1.00 0.49 H new ATOM 0 HG3 LYS A 47 5.447 6.722 22.805 1.00 0.49 H new ATOM 0 HD2 LYS A 47 4.623 4.532 23.034 1.00 0.59 H new ATOM 0 HD3 LYS A 47 3.310 5.276 22.143 1.00 0.59 H new ATOM 0 HE2 LYS A 47 4.152 4.385 20.016 1.00 0.79 H new ATOM 0 HE3 LYS A 47 5.628 3.823 20.775 1.00 0.79 H new ATOM 0 HZ1 LYS A 47 3.535 2.250 20.427 1.00 1.12 H new ATOM 0 HZ2 LYS A 47 4.580 2.067 21.754 1.00 1.12 H new ATOM 0 HZ3 LYS A 47 3.103 2.885 21.942 1.00 1.12 H new ATOM 765 N HIS A 48 3.711 10.107 19.928 1.00 0.32 N ATOM 766 CA HIS A 48 3.204 10.971 18.847 1.00 0.36 C ATOM 767 C HIS A 48 4.210 12.129 18.656 1.00 0.39 C ATOM 768 O HIS A 48 4.858 12.270 17.617 1.00 0.43 O ATOM 769 CB HIS A 48 1.822 11.494 19.256 1.00 0.39 C ATOM 770 CG HIS A 48 1.321 12.414 18.205 1.00 0.47 C ATOM 771 ND1 HIS A 48 0.573 11.982 17.100 1.00 0.54 N ATOM 772 CD2 HIS A 48 1.475 13.753 18.060 1.00 0.51 C ATOM 773 CE1 HIS A 48 0.312 13.071 16.349 1.00 0.61 C ATOM 774 NE2 HIS A 48 0.843 14.136 16.912 1.00 0.59 N ATOM 0 H HIS A 48 3.172 10.130 20.794 1.00 0.32 H new ATOM 0 HA HIS A 48 3.104 10.430 17.906 1.00 0.36 H new ATOM 0 HB2 HIS A 48 1.130 10.663 19.389 1.00 0.39 H new ATOM 0 HB3 HIS A 48 1.884 12.014 20.212 1.00 0.39 H new ATOM 0 HD1 HIS A 48 0.282 11.025 16.902 1.00 0.54 H new ATOM 0 HD2 HIS A 48 2.007 14.405 18.737 1.00 0.51 H new ATOM 0 HE1 HIS A 48 -0.248 13.070 15.425 1.00 0.61 H new ATOM 782 N THR A 49 4.373 12.960 19.658 1.00 0.38 N ATOM 783 CA THR A 49 5.335 14.083 19.558 1.00 0.43 C ATOM 784 C THR A 49 6.599 13.631 18.845 1.00 0.41 C ATOM 785 O THR A 49 7.164 14.353 18.054 1.00 0.47 O ATOM 786 CB THR A 49 5.759 14.499 20.969 1.00 0.45 C ATOM 787 OG1 THR A 49 6.361 13.380 21.596 1.00 0.42 O ATOM 788 CG2 THR A 49 4.563 14.944 21.809 1.00 0.51 C ATOM 0 H THR A 49 3.873 12.901 20.545 1.00 0.38 H new ATOM 0 HA THR A 49 4.856 14.899 19.016 1.00 0.43 H new ATOM 0 HB THR A 49 6.451 15.338 20.892 1.00 0.45 H new ATOM 0 HG1 THR A 49 5.977 12.555 21.232 1.00 0.42 H new ATOM 0 HG21 THR A 49 4.904 15.232 22.804 1.00 0.51 H new ATOM 0 HG22 THR A 49 4.079 15.796 21.331 1.00 0.51 H new ATOM 0 HG23 THR A 49 3.851 14.123 21.893 1.00 0.51 H new ATOM 796 N PHE A 50 7.040 12.431 19.097 1.00 0.36 N ATOM 797 CA PHE A 50 8.262 11.939 18.423 1.00 0.36 C ATOM 798 C PHE A 50 7.966 11.701 16.933 1.00 0.41 C ATOM 799 O PHE A 50 8.793 11.983 16.086 1.00 0.46 O ATOM 800 CB PHE A 50 8.710 10.644 19.109 1.00 0.34 C ATOM 801 CG PHE A 50 9.533 10.986 20.346 1.00 0.30 C ATOM 802 CD1 PHE A 50 9.218 12.114 21.131 1.00 0.45 C ATOM 803 CD2 PHE A 50 10.612 10.173 20.709 1.00 0.41 C ATOM 804 CE1 PHE A 50 9.982 12.414 22.267 1.00 0.47 C ATOM 805 CE2 PHE A 50 11.376 10.479 21.845 1.00 0.51 C ATOM 806 CZ PHE A 50 11.061 11.596 22.623 1.00 0.45 C ATOM 0 H PHE A 50 6.603 11.772 19.742 1.00 0.36 H new ATOM 0 HA PHE A 50 9.063 12.675 18.496 1.00 0.36 H new ATOM 0 HB2 PHE A 50 7.841 10.049 19.390 1.00 0.34 H new ATOM 0 HB3 PHE A 50 9.301 10.040 18.421 1.00 0.34 H new ATOM 0 HD1 PHE A 50 8.387 12.747 20.857 1.00 0.45 H new ATOM 0 HD2 PHE A 50 10.858 9.307 20.113 1.00 0.41 H new ATOM 0 HE1 PHE A 50 9.738 13.277 22.868 1.00 0.47 H new ATOM 0 HE2 PHE A 50 12.210 9.850 22.119 1.00 0.51 H new ATOM 0 HZ PHE A 50 11.649 11.828 23.498 1.00 0.45 H new ATOM 816 N ILE A 51 6.773 11.257 16.589 1.00 0.42 N ATOM 817 CA ILE A 51 6.469 11.104 15.129 1.00 0.49 C ATOM 818 C ILE A 51 6.678 12.481 14.468 1.00 0.54 C ATOM 819 O ILE A 51 6.923 12.563 13.280 1.00 0.60 O ATOM 820 CB ILE A 51 5.033 10.580 14.847 1.00 0.53 C ATOM 821 CG1 ILE A 51 3.972 11.655 15.154 1.00 0.63 C ATOM 822 CG2 ILE A 51 4.722 9.328 15.676 1.00 0.56 C ATOM 823 CD1 ILE A 51 2.775 11.476 14.215 1.00 0.70 C ATOM 0 H ILE A 51 6.023 11.003 17.232 1.00 0.42 H new ATOM 0 HA ILE A 51 7.139 10.351 14.713 1.00 0.49 H new ATOM 0 HB ILE A 51 4.995 10.329 13.787 1.00 0.53 H new ATOM 0 HG12 ILE A 51 3.648 11.576 16.192 1.00 0.63 H new ATOM 0 HG13 ILE A 51 4.400 12.650 15.029 1.00 0.63 H new ATOM 0 HG21 ILE A 51 3.710 8.987 15.455 1.00 0.56 H new ATOM 0 HG22 ILE A 51 5.433 8.540 15.426 1.00 0.56 H new ATOM 0 HG23 ILE A 51 4.801 9.565 16.737 1.00 0.56 H new ATOM 0 HD11 ILE A 51 2.025 12.236 14.433 1.00 0.70 H new ATOM 0 HD12 ILE A 51 3.105 11.577 13.181 1.00 0.70 H new ATOM 0 HD13 ILE A 51 2.342 10.487 14.362 1.00 0.70 H new ATOM 835 N HIS A 52 6.637 13.558 15.227 1.00 0.53 N ATOM 836 CA HIS A 52 6.893 14.931 14.602 1.00 0.59 C ATOM 837 C HIS A 52 8.352 15.377 14.716 1.00 0.56 C ATOM 838 O HIS A 52 8.878 16.068 13.865 1.00 0.61 O ATOM 839 CB HIS A 52 6.227 16.043 15.385 1.00 0.64 C ATOM 840 CG HIS A 52 4.770 16.124 15.164 1.00 0.67 C ATOM 841 ND1 HIS A 52 4.201 16.690 14.016 1.00 0.75 N ATOM 842 CD2 HIS A 52 3.748 15.829 15.996 1.00 0.64 C ATOM 843 CE1 HIS A 52 2.864 16.720 14.213 1.00 0.77 C ATOM 844 NE2 HIS A 52 2.575 16.210 15.403 1.00 0.70 N ATOM 0 H HIS A 52 6.444 13.562 16.228 1.00 0.53 H new ATOM 0 HA HIS A 52 6.539 14.800 13.580 1.00 0.59 H new ATOM 0 HB2 HIS A 52 6.418 15.894 16.448 1.00 0.64 H new ATOM 0 HB3 HIS A 52 6.682 16.994 15.110 1.00 0.64 H new ATOM 0 HD1 HIS A 52 4.700 17.017 13.189 1.00 0.75 H new ATOM 0 HD2 HIS A 52 3.841 15.369 16.968 1.00 0.64 H new ATOM 0 HE1 HIS A 52 2.140 17.102 13.508 1.00 0.77 H new ATOM 852 N THR A 53 8.974 15.040 15.805 1.00 0.49 N ATOM 853 CA THR A 53 10.372 15.498 16.042 1.00 0.47 C ATOM 854 C THR A 53 11.311 14.697 15.165 1.00 0.41 C ATOM 855 O THR A 53 12.448 15.060 14.949 1.00 0.65 O ATOM 856 CB THR A 53 10.740 15.280 17.517 1.00 0.47 C ATOM 857 OG1 THR A 53 10.615 13.903 17.819 1.00 0.47 O ATOM 858 CG2 THR A 53 9.810 16.096 18.423 1.00 0.64 C ATOM 0 H THR A 53 8.576 14.464 16.547 1.00 0.49 H new ATOM 0 HA THR A 53 10.457 16.558 15.801 1.00 0.47 H new ATOM 0 HB THR A 53 11.765 15.608 17.688 1.00 0.47 H new ATOM 0 HG1 THR A 53 10.500 13.789 18.786 1.00 0.47 H new ATOM 0 HG21 THR A 53 10.082 15.932 19.466 1.00 0.64 H new ATOM 0 HG22 THR A 53 9.907 17.155 18.185 1.00 0.64 H new ATOM 0 HG23 THR A 53 8.779 15.782 18.263 1.00 0.64 H new ATOM 866 N GLY A 54 10.842 13.594 14.682 1.00 0.42 N ATOM 867 CA GLY A 54 11.690 12.719 13.840 1.00 0.52 C ATOM 868 C GLY A 54 12.411 11.740 14.758 1.00 0.50 C ATOM 869 O GLY A 54 13.306 11.026 14.356 1.00 0.59 O ATOM 0 H GLY A 54 9.893 13.254 14.836 1.00 0.42 H new ATOM 0 HA2 GLY A 54 11.080 12.182 13.113 1.00 0.52 H new ATOM 0 HA3 GLY A 54 12.409 13.313 13.276 1.00 0.52 H new ATOM 873 N GLU A 55 12.047 11.748 16.010 1.00 0.46 N ATOM 874 CA GLU A 55 12.717 10.880 17.010 1.00 0.51 C ATOM 875 C GLU A 55 12.324 9.406 16.861 1.00 0.52 C ATOM 876 O GLU A 55 11.199 9.007 17.091 1.00 0.62 O ATOM 877 CB GLU A 55 12.334 11.404 18.395 1.00 0.63 C ATOM 878 CG GLU A 55 13.122 12.698 18.642 1.00 0.77 C ATOM 879 CD GLU A 55 12.760 13.293 19.999 1.00 0.92 C ATOM 880 OE1 GLU A 55 11.693 12.987 20.494 1.00 1.18 O ATOM 881 OE2 GLU A 55 13.557 14.063 20.514 1.00 1.53 O ATOM 0 H GLU A 55 11.299 12.331 16.386 1.00 0.46 H new ATOM 0 HA GLU A 55 13.796 10.918 16.859 1.00 0.51 H new ATOM 0 HB2 GLU A 55 11.262 11.594 18.449 1.00 0.63 H new ATOM 0 HB3 GLU A 55 12.565 10.664 19.161 1.00 0.63 H new ATOM 0 HG2 GLU A 55 14.192 12.493 18.602 1.00 0.77 H new ATOM 0 HG3 GLU A 55 12.906 13.418 17.853 1.00 0.77 H new ATOM 888 N LYS A 56 13.292 8.594 16.522 1.00 0.46 N ATOM 889 CA LYS A 56 13.059 7.123 16.388 1.00 0.49 C ATOM 890 C LYS A 56 14.067 6.383 17.284 1.00 0.40 C ATOM 891 O LYS A 56 14.974 5.733 16.797 1.00 0.39 O ATOM 892 CB LYS A 56 13.264 6.686 14.930 1.00 0.56 C ATOM 893 CG LYS A 56 12.079 7.144 14.064 1.00 0.79 C ATOM 894 CD LYS A 56 12.472 7.077 12.582 1.00 0.90 C ATOM 895 CE LYS A 56 11.297 7.538 11.718 1.00 1.10 C ATOM 896 NZ LYS A 56 10.181 6.557 11.827 1.00 1.67 N ATOM 0 H LYS A 56 14.248 8.892 16.329 1.00 0.46 H new ATOM 0 HA LYS A 56 12.038 6.887 16.688 1.00 0.49 H new ATOM 0 HB2 LYS A 56 14.191 7.109 14.543 1.00 0.56 H new ATOM 0 HB3 LYS A 56 13.363 5.602 14.879 1.00 0.56 H new ATOM 0 HG2 LYS A 56 11.212 6.510 14.250 1.00 0.79 H new ATOM 0 HG3 LYS A 56 11.793 8.162 14.330 1.00 0.79 H new ATOM 0 HD2 LYS A 56 13.342 7.708 12.397 1.00 0.90 H new ATOM 0 HD3 LYS A 56 12.754 6.058 12.316 1.00 0.90 H new ATOM 0 HE2 LYS A 56 10.961 8.524 12.040 1.00 1.10 H new ATOM 0 HE3 LYS A 56 11.612 7.632 10.679 1.00 1.10 H new ATOM 0 HZ1 LYS A 56 9.522 6.691 11.034 1.00 1.67 H new ATOM 0 HZ2 LYS A 56 10.564 5.591 11.799 1.00 1.67 H new ATOM 0 HZ3 LYS A 56 9.677 6.703 12.725 1.00 1.67 H new ATOM 910 N PRO A 57 13.919 6.499 18.584 1.00 0.48 N ATOM 911 CA PRO A 57 14.833 5.846 19.583 1.00 0.53 C ATOM 912 C PRO A 57 14.948 4.320 19.439 1.00 0.56 C ATOM 913 O PRO A 57 15.799 3.709 20.059 1.00 0.67 O ATOM 914 CB PRO A 57 14.221 6.188 20.946 1.00 0.69 C ATOM 915 CG PRO A 57 13.318 7.354 20.708 1.00 0.75 C ATOM 916 CD PRO A 57 12.862 7.273 19.251 1.00 0.64 C ATOM 0 HA PRO A 57 15.850 6.212 19.440 1.00 0.53 H new ATOM 0 HB2 PRO A 57 13.667 5.340 21.349 1.00 0.69 H new ATOM 0 HB3 PRO A 57 14.996 6.436 21.671 1.00 0.69 H new ATOM 0 HG2 PRO A 57 12.462 7.324 21.383 1.00 0.75 H new ATOM 0 HG3 PRO A 57 13.840 8.292 20.898 1.00 0.75 H new ATOM 0 HD2 PRO A 57 11.893 6.781 19.164 1.00 0.64 H new ATOM 0 HD3 PRO A 57 12.757 8.265 18.811 1.00 0.64 H new ATOM 924 N HIS A 58 14.129 3.691 18.648 1.00 0.49 N ATOM 925 CA HIS A 58 14.245 2.205 18.514 1.00 0.52 C ATOM 926 C HIS A 58 15.021 1.870 17.230 1.00 0.42 C ATOM 927 O HIS A 58 14.441 1.655 16.187 1.00 0.40 O ATOM 928 CB HIS A 58 12.845 1.595 18.466 1.00 0.61 C ATOM 929 CG HIS A 58 12.114 1.891 19.752 1.00 0.77 C ATOM 930 ND1 HIS A 58 11.123 2.790 20.052 1.00 0.89 N flip ATOM 931 CD2 HIS A 58 12.369 1.203 20.933 1.00 0.88 C flip ATOM 932 CE1 HIS A 58 10.763 2.668 21.390 1.00 1.01 C flip ATOM 933 NE2 HIS A 58 11.543 1.699 21.875 1.00 1.02 N flip ATOM 0 H HIS A 58 13.393 4.128 18.094 1.00 0.49 H new ATOM 0 HA HIS A 58 14.782 1.792 19.368 1.00 0.52 H new ATOM 0 HB2 HIS A 58 12.290 2.001 17.620 1.00 0.61 H new ATOM 0 HB3 HIS A 58 12.913 0.518 18.315 1.00 0.61 H new ATOM 0 HD1 HIS A 58 10.711 3.450 19.392 1.00 0.89 H new ATOM 0 HD2 HIS A 58 13.096 0.416 21.070 1.00 0.88 H new ATOM 0 HE1 HIS A 58 10.014 3.235 21.922 1.00 1.01 H new ATOM 941 N LYS A 59 16.331 1.844 17.301 1.00 0.49 N ATOM 942 CA LYS A 59 17.138 1.544 16.085 1.00 0.54 C ATOM 943 C LYS A 59 17.260 0.031 15.896 1.00 0.54 C ATOM 944 O LYS A 59 17.710 -0.681 16.769 1.00 0.61 O ATOM 945 CB LYS A 59 18.547 2.122 16.231 1.00 0.74 C ATOM 946 CG LYS A 59 18.489 3.633 16.462 1.00 0.62 C ATOM 947 CD LYS A 59 19.918 4.159 16.614 1.00 1.16 C ATOM 948 CE LYS A 59 19.896 5.658 16.907 1.00 1.79 C ATOM 949 NZ LYS A 59 19.205 5.907 18.202 1.00 2.52 N ATOM 0 H LYS A 59 16.871 2.018 18.148 1.00 0.49 H new ATOM 0 HA LYS A 59 16.638 1.991 15.226 1.00 0.54 H new ATOM 0 HB2 LYS A 59 19.058 1.641 17.065 1.00 0.74 H new ATOM 0 HB3 LYS A 59 19.128 1.908 15.334 1.00 0.74 H new ATOM 0 HG2 LYS A 59 17.992 4.125 15.626 1.00 0.62 H new ATOM 0 HG3 LYS A 59 17.906 3.857 17.356 1.00 0.62 H new ATOM 0 HD2 LYS A 59 20.425 3.630 17.421 1.00 1.16 H new ATOM 0 HD3 LYS A 59 20.484 3.967 15.702 1.00 1.16 H new ATOM 0 HE2 LYS A 59 20.914 6.045 16.947 1.00 1.79 H new ATOM 0 HE3 LYS A 59 19.385 6.188 16.103 1.00 1.79 H new ATOM 0 HZ1 LYS A 59 19.476 6.843 18.566 1.00 2.52 H new ATOM 0 HZ2 LYS A 59 18.176 5.876 18.058 1.00 2.52 H new ATOM 0 HZ3 LYS A 59 19.480 5.176 18.889 1.00 2.52 H new ATOM 963 N CYS A 60 16.876 -0.446 14.755 1.00 0.54 N ATOM 964 CA CYS A 60 16.968 -1.900 14.462 1.00 0.55 C ATOM 965 C CYS A 60 18.412 -2.396 14.695 1.00 0.75 C ATOM 966 O CYS A 60 18.733 -2.807 15.788 1.00 0.89 O ATOM 967 CB CYS A 60 16.501 -2.106 13.014 1.00 0.54 C ATOM 968 SG CYS A 60 17.223 -3.588 12.282 1.00 0.61 S ATOM 0 H CYS A 60 16.494 0.118 13.996 1.00 0.54 H new ATOM 0 HA CYS A 60 16.332 -2.485 15.127 1.00 0.55 H new ATOM 0 HB2 CYS A 60 15.414 -2.181 12.990 1.00 0.54 H new ATOM 0 HB3 CYS A 60 16.774 -1.236 12.417 1.00 0.54 H new ATOM 973 N GLN A 61 19.274 -2.344 13.694 1.00 0.82 N ATOM 974 CA GLN A 61 20.726 -2.790 13.845 1.00 1.04 C ATOM 975 C GLN A 61 21.032 -3.929 12.876 1.00 1.10 C ATOM 976 O GLN A 61 22.172 -4.328 12.691 1.00 1.28 O ATOM 977 CB GLN A 61 21.039 -3.302 15.253 1.00 1.14 C ATOM 978 CG GLN A 61 21.016 -2.137 16.243 1.00 1.21 C ATOM 979 CD GLN A 61 22.454 -1.734 16.602 1.00 1.47 C ATOM 980 OE1 GLN A 61 22.970 -2.133 17.625 1.00 1.64 O ATOM 981 NE2 GLN A 61 23.128 -0.960 15.792 1.00 1.85 N ATOM 0 H GLN A 61 19.036 -2.007 12.761 1.00 0.82 H new ATOM 0 HA GLN A 61 21.335 -1.910 13.637 1.00 1.04 H new ATOM 0 HB2 GLN A 61 20.309 -4.056 15.547 1.00 1.14 H new ATOM 0 HB3 GLN A 61 22.017 -3.784 15.266 1.00 1.14 H new ATOM 0 HG2 GLN A 61 20.488 -1.288 15.808 1.00 1.21 H new ATOM 0 HG3 GLN A 61 20.473 -2.423 17.144 1.00 1.21 H new ATOM 0 HE21 GLN A 61 22.696 -0.623 14.931 1.00 1.85 H new ATOM 0 HE22 GLN A 61 24.085 -0.693 16.021 1.00 1.85 H new ATOM 990 N VAL A 62 20.025 -4.449 12.270 1.00 0.95 N ATOM 991 CA VAL A 62 20.190 -5.556 11.315 1.00 1.03 C ATOM 992 C VAL A 62 20.283 -4.979 9.916 1.00 1.14 C ATOM 993 O VAL A 62 21.199 -5.254 9.165 1.00 1.35 O ATOM 994 CB VAL A 62 18.939 -6.419 11.433 1.00 0.87 C ATOM 995 CG1 VAL A 62 19.119 -7.748 10.675 1.00 0.99 C ATOM 996 CG2 VAL A 62 18.694 -6.680 12.928 1.00 0.84 C ATOM 0 H VAL A 62 19.061 -4.143 12.400 1.00 0.95 H new ATOM 0 HA VAL A 62 21.088 -6.140 11.517 1.00 1.03 H new ATOM 0 HB VAL A 62 18.085 -5.907 10.990 1.00 0.87 H new ATOM 0 HG11 VAL A 62 18.214 -8.348 10.773 1.00 0.99 H new ATOM 0 HG12 VAL A 62 19.307 -7.543 9.621 1.00 0.99 H new ATOM 0 HG13 VAL A 62 19.964 -8.294 11.094 1.00 0.99 H new ATOM 0 HG21 VAL A 62 17.803 -7.297 13.049 1.00 0.84 H new ATOM 0 HG22 VAL A 62 19.554 -7.198 13.353 1.00 0.84 H new ATOM 0 HG23 VAL A 62 18.551 -5.731 13.444 1.00 0.84 H new ATOM 1006 N CYS A 63 19.317 -4.178 9.565 1.00 1.05 N ATOM 1007 CA CYS A 63 19.287 -3.555 8.218 1.00 1.21 C ATOM 1008 C CYS A 63 19.598 -2.048 8.323 1.00 1.23 C ATOM 1009 O CYS A 63 19.814 -1.379 7.327 1.00 1.48 O ATOM 1010 CB CYS A 63 17.894 -3.778 7.633 1.00 1.19 C ATOM 1011 SG CYS A 63 16.680 -2.845 8.588 1.00 1.02 S ATOM 0 H CYS A 63 18.534 -3.926 10.168 1.00 1.05 H new ATOM 0 HA CYS A 63 20.041 -4.004 7.571 1.00 1.21 H new ATOM 0 HB2 CYS A 63 17.872 -3.462 6.590 1.00 1.19 H new ATOM 0 HB3 CYS A 63 17.647 -4.840 7.650 1.00 1.19 H new ATOM 1016 N GLY A 64 19.660 -1.520 9.522 1.00 1.03 N ATOM 1017 CA GLY A 64 20.005 -0.074 9.706 1.00 1.06 C ATOM 1018 C GLY A 64 18.782 0.859 9.597 1.00 0.96 C ATOM 1019 O GLY A 64 18.912 1.986 9.167 1.00 0.97 O ATOM 0 H GLY A 64 19.485 -2.032 10.387 1.00 1.03 H new ATOM 0 HA2 GLY A 64 20.471 0.061 10.682 1.00 1.06 H new ATOM 0 HA3 GLY A 64 20.743 0.215 8.958 1.00 1.06 H new ATOM 1023 N LYS A 65 17.610 0.439 10.014 1.00 0.89 N ATOM 1024 CA LYS A 65 16.424 1.365 9.949 1.00 0.87 C ATOM 1025 C LYS A 65 16.055 1.770 11.384 1.00 0.71 C ATOM 1026 O LYS A 65 16.665 1.309 12.330 1.00 0.62 O ATOM 1027 CB LYS A 65 15.231 0.671 9.267 1.00 0.89 C ATOM 1028 CG LYS A 65 14.508 1.678 8.360 1.00 1.11 C ATOM 1029 CD LYS A 65 13.272 1.029 7.728 1.00 1.20 C ATOM 1030 CE LYS A 65 12.804 1.880 6.542 1.00 1.42 C ATOM 1031 NZ LYS A 65 12.919 3.326 6.892 1.00 2.50 N ATOM 0 H LYS A 65 17.421 -0.489 10.392 1.00 0.89 H new ATOM 0 HA LYS A 65 16.675 2.248 9.361 1.00 0.87 H new ATOM 0 HB2 LYS A 65 15.577 -0.180 8.681 1.00 0.89 H new ATOM 0 HB3 LYS A 65 14.544 0.282 10.018 1.00 0.89 H new ATOM 0 HG2 LYS A 65 14.212 2.553 8.939 1.00 1.11 H new ATOM 0 HG3 LYS A 65 15.184 2.026 7.579 1.00 1.11 H new ATOM 0 HD2 LYS A 65 13.508 0.018 7.395 1.00 1.20 H new ATOM 0 HD3 LYS A 65 12.474 0.943 8.466 1.00 1.20 H new ATOM 0 HE2 LYS A 65 13.407 1.659 5.661 1.00 1.42 H new ATOM 0 HE3 LYS A 65 11.772 1.637 6.291 1.00 1.42 H new ATOM 0 HZ1 LYS A 65 12.159 3.858 6.423 1.00 2.50 H new ATOM 0 HZ2 LYS A 65 12.837 3.441 7.922 1.00 2.50 H new ATOM 0 HZ3 LYS A 65 13.841 3.688 6.575 1.00 2.50 H new ATOM 1045 N ALA A 66 15.114 2.663 11.573 1.00 0.73 N ATOM 1046 CA ALA A 66 14.786 3.111 12.962 1.00 0.65 C ATOM 1047 C ALA A 66 13.275 3.220 13.182 1.00 0.64 C ATOM 1048 O ALA A 66 12.505 3.327 12.251 1.00 0.80 O ATOM 1049 CB ALA A 66 15.408 4.486 13.185 1.00 0.78 C ATOM 0 H ALA A 66 14.563 3.098 10.833 1.00 0.73 H new ATOM 0 HA ALA A 66 15.180 2.374 13.661 1.00 0.65 H new ATOM 0 HB1 ALA A 66 15.179 4.830 14.194 1.00 0.78 H new ATOM 0 HB2 ALA A 66 16.489 4.421 13.060 1.00 0.78 H new ATOM 0 HB3 ALA A 66 15.001 5.191 12.460 1.00 0.78 H new ATOM 1055 N PHE A 67 12.846 3.130 14.422 1.00 0.56 N ATOM 1056 CA PHE A 67 11.377 3.173 14.697 1.00 0.71 C ATOM 1057 C PHE A 67 11.002 4.028 15.906 1.00 0.73 C ATOM 1058 O PHE A 67 11.719 4.129 16.883 1.00 0.63 O ATOM 1059 CB PHE A 67 10.906 1.744 14.913 1.00 0.79 C ATOM 1060 CG PHE A 67 11.317 0.974 13.698 1.00 0.73 C ATOM 1061 CD1 PHE A 67 10.483 0.955 12.579 1.00 0.57 C ATOM 1062 CD2 PHE A 67 12.552 0.322 13.670 1.00 0.96 C ATOM 1063 CE1 PHE A 67 10.882 0.274 11.428 1.00 0.59 C ATOM 1064 CE2 PHE A 67 12.956 -0.352 12.515 1.00 0.99 C ATOM 1065 CZ PHE A 67 12.119 -0.375 11.395 1.00 0.79 C ATOM 0 H PHE A 67 13.443 3.030 15.243 1.00 0.56 H new ATOM 0 HA PHE A 67 10.889 3.640 13.841 1.00 0.71 H new ATOM 0 HB2 PHE A 67 11.354 1.319 15.811 1.00 0.79 H new ATOM 0 HB3 PHE A 67 9.825 1.708 15.048 1.00 0.79 H new ATOM 0 HD1 PHE A 67 9.532 1.466 12.604 1.00 0.57 H new ATOM 0 HD2 PHE A 67 13.193 0.339 14.539 1.00 0.96 H new ATOM 0 HE1 PHE A 67 10.235 0.249 10.563 1.00 0.59 H new ATOM 0 HE2 PHE A 67 13.912 -0.854 12.487 1.00 0.99 H new ATOM 0 HZ PHE A 67 12.430 -0.896 10.502 1.00 0.79 H new ATOM 1075 N SER A 68 9.841 4.629 15.821 1.00 0.90 N ATOM 1076 CA SER A 68 9.323 5.475 16.931 1.00 0.98 C ATOM 1077 C SER A 68 8.698 4.585 17.997 1.00 1.07 C ATOM 1078 O SER A 68 8.626 4.949 19.154 1.00 1.19 O ATOM 1079 CB SER A 68 8.236 6.420 16.400 1.00 1.17 C ATOM 1080 OG SER A 68 8.841 7.505 15.718 1.00 1.39 O ATOM 0 H SER A 68 9.222 4.565 15.013 1.00 0.90 H new ATOM 0 HA SER A 68 10.148 6.050 17.350 1.00 0.98 H new ATOM 0 HB2 SER A 68 7.569 5.881 15.727 1.00 1.17 H new ATOM 0 HB3 SER A 68 7.627 6.790 17.225 1.00 1.17 H new ATOM 0 HG SER A 68 9.561 7.877 16.269 1.00 1.39 H new ATOM 1086 N GLN A 69 8.209 3.425 17.620 1.00 1.10 N ATOM 1087 CA GLN A 69 7.562 2.552 18.637 1.00 1.22 C ATOM 1088 C GLN A 69 8.271 1.201 18.730 1.00 1.12 C ATOM 1089 O GLN A 69 8.722 0.643 17.742 1.00 1.07 O ATOM 1090 CB GLN A 69 6.107 2.315 18.240 1.00 1.43 C ATOM 1091 CG GLN A 69 5.520 3.600 17.653 1.00 1.78 C ATOM 1092 CD GLN A 69 4.036 3.388 17.361 1.00 2.22 C ATOM 1093 OE1 GLN A 69 3.363 2.674 18.080 1.00 2.31 O ATOM 1094 NE2 GLN A 69 3.498 3.975 16.331 1.00 3.01 N ATOM 0 H GLN A 69 8.231 3.056 16.669 1.00 1.10 H new ATOM 0 HA GLN A 69 7.622 3.049 19.605 1.00 1.22 H new ATOM 0 HB2 GLN A 69 6.045 1.508 17.510 1.00 1.43 H new ATOM 0 HB3 GLN A 69 5.528 2.003 19.109 1.00 1.43 H new ATOM 0 HG2 GLN A 69 5.651 4.426 18.352 1.00 1.78 H new ATOM 0 HG3 GLN A 69 6.048 3.870 16.738 1.00 1.78 H new ATOM 0 HE21 GLN A 69 4.066 4.573 15.731 1.00 3.01 H new ATOM 0 HE22 GLN A 69 2.509 3.837 16.124 1.00 3.01 H new ATOM 1103 N SER A 70 8.351 0.662 19.908 1.00 1.15 N ATOM 1104 CA SER A 70 9.002 -0.652 20.056 1.00 1.11 C ATOM 1105 C SER A 70 8.176 -1.696 19.316 1.00 1.17 C ATOM 1106 O SER A 70 8.706 -2.525 18.634 1.00 1.10 O ATOM 1107 CB SER A 70 9.089 -1.056 21.525 1.00 1.25 C ATOM 1108 OG SER A 70 9.697 -0.016 22.272 1.00 1.45 O ATOM 0 H SER A 70 7.994 1.076 20.769 1.00 1.15 H new ATOM 0 HA SER A 70 10.010 -0.588 19.647 1.00 1.11 H new ATOM 0 HB2 SER A 70 8.092 -1.262 21.915 1.00 1.25 H new ATOM 0 HB3 SER A 70 9.667 -1.975 21.626 1.00 1.25 H new ATOM 0 HG SER A 70 10.638 0.068 22.010 1.00 1.45 H new ATOM 1114 N SER A 71 6.877 -1.651 19.433 1.00 1.34 N ATOM 1115 CA SER A 71 6.039 -2.658 18.729 1.00 1.43 C ATOM 1116 C SER A 71 6.468 -2.710 17.274 1.00 1.30 C ATOM 1117 O SER A 71 6.621 -3.771 16.704 1.00 1.29 O ATOM 1118 CB SER A 71 4.570 -2.260 18.807 1.00 1.67 C ATOM 1119 OG SER A 71 4.227 -2.009 20.160 1.00 1.71 O ATOM 0 H SER A 71 6.363 -0.963 19.983 1.00 1.34 H new ATOM 0 HA SER A 71 6.166 -3.634 19.198 1.00 1.43 H new ATOM 0 HB2 SER A 71 4.389 -1.371 18.202 1.00 1.67 H new ATOM 0 HB3 SER A 71 3.943 -3.054 18.402 1.00 1.67 H new ATOM 0 HG SER A 71 3.733 -2.775 20.520 1.00 1.71 H new ATOM 1125 N ASN A 72 6.673 -1.588 16.654 1.00 1.24 N ATOM 1126 CA ASN A 72 7.097 -1.632 15.240 1.00 1.17 C ATOM 1127 C ASN A 72 8.526 -2.188 15.171 1.00 0.96 C ATOM 1128 O ASN A 72 8.866 -2.914 14.259 1.00 0.91 O ATOM 1129 CB ASN A 72 7.000 -0.226 14.627 1.00 1.20 C ATOM 1130 CG ASN A 72 5.570 0.299 14.819 1.00 1.48 C ATOM 1131 OD1 ASN A 72 4.766 -0.345 15.456 1.00 1.63 O ATOM 1132 ND2 ASN A 72 5.211 1.444 14.295 1.00 2.21 N ATOM 0 H ASN A 72 6.567 -0.658 17.059 1.00 1.24 H new ATOM 0 HA ASN A 72 6.444 -2.287 14.663 1.00 1.17 H new ATOM 0 HB2 ASN A 72 7.715 0.444 15.104 1.00 1.20 H new ATOM 0 HB3 ASN A 72 7.251 -0.258 13.567 1.00 1.20 H new ATOM 0 HD21 ASN A 72 4.260 1.788 14.425 1.00 2.21 H new ATOM 0 HD22 ASN A 72 5.883 1.992 13.757 1.00 2.21 H new ATOM 1139 N LEU A 73 9.358 -1.914 16.147 1.00 0.85 N ATOM 1140 CA LEU A 73 10.730 -2.502 16.110 1.00 0.66 C ATOM 1141 C LEU A 73 10.638 -4.001 16.433 1.00 0.71 C ATOM 1142 O LEU A 73 11.195 -4.811 15.737 1.00 0.62 O ATOM 1143 CB LEU A 73 11.663 -1.795 17.104 1.00 0.62 C ATOM 1144 CG LEU A 73 12.930 -2.636 17.340 1.00 0.51 C ATOM 1145 CD1 LEU A 73 13.757 -2.721 16.052 1.00 0.42 C ATOM 1146 CD2 LEU A 73 13.776 -1.982 18.434 1.00 0.67 C ATOM 0 H LEU A 73 9.151 -1.321 16.951 1.00 0.85 H new ATOM 0 HA LEU A 73 11.149 -2.365 15.113 1.00 0.66 H new ATOM 0 HB2 LEU A 73 11.937 -0.812 16.720 1.00 0.62 H new ATOM 0 HB3 LEU A 73 11.144 -1.634 18.049 1.00 0.62 H new ATOM 0 HG LEU A 73 12.636 -3.640 17.644 1.00 0.51 H new ATOM 0 HD11 LEU A 73 14.651 -3.319 16.232 1.00 0.42 H new ATOM 0 HD12 LEU A 73 13.161 -3.187 15.267 1.00 0.42 H new ATOM 0 HD13 LEU A 73 14.048 -1.718 15.740 1.00 0.42 H new ATOM 0 HD21 LEU A 73 14.674 -2.576 18.603 1.00 0.67 H new ATOM 0 HD22 LEU A 73 14.059 -0.976 18.123 1.00 0.67 H new ATOM 0 HD23 LEU A 73 13.198 -1.927 19.357 1.00 0.67 H new ATOM 1158 N ILE A 74 9.926 -4.384 17.455 1.00 0.88 N ATOM 1159 CA ILE A 74 9.781 -5.834 17.774 1.00 0.96 C ATOM 1160 C ILE A 74 9.249 -6.549 16.530 1.00 0.94 C ATOM 1161 O ILE A 74 9.826 -7.514 16.071 1.00 0.87 O ATOM 1162 CB ILE A 74 8.790 -6.001 18.937 1.00 1.22 C ATOM 1163 CG1 ILE A 74 9.322 -5.238 20.159 1.00 1.29 C ATOM 1164 CG2 ILE A 74 8.641 -7.486 19.294 1.00 1.35 C ATOM 1165 CD1 ILE A 74 8.333 -5.351 21.325 1.00 1.54 C ATOM 0 H ILE A 74 9.435 -3.752 18.088 1.00 0.88 H new ATOM 0 HA ILE A 74 10.742 -6.259 18.064 1.00 0.96 H new ATOM 0 HB ILE A 74 7.818 -5.607 18.641 1.00 1.22 H new ATOM 0 HG12 ILE A 74 10.291 -5.640 20.454 1.00 1.29 H new ATOM 0 HG13 ILE A 74 9.476 -4.190 19.904 1.00 1.29 H new ATOM 0 HG21 ILE A 74 7.937 -7.593 20.119 1.00 1.35 H new ATOM 0 HG22 ILE A 74 8.270 -8.033 18.427 1.00 1.35 H new ATOM 0 HG23 ILE A 74 9.610 -7.888 19.590 1.00 1.35 H new ATOM 0 HD11 ILE A 74 8.721 -4.806 22.186 1.00 1.54 H new ATOM 0 HD12 ILE A 74 7.373 -4.927 21.030 1.00 1.54 H new ATOM 0 HD13 ILE A 74 8.201 -6.400 21.589 1.00 1.54 H new ATOM 1177 N THR A 75 8.168 -6.082 15.967 1.00 1.05 N ATOM 1178 CA THR A 75 7.651 -6.748 14.745 1.00 1.11 C ATOM 1179 C THR A 75 8.741 -6.694 13.675 1.00 0.92 C ATOM 1180 O THR A 75 9.055 -7.672 13.024 1.00 0.91 O ATOM 1181 CB THR A 75 6.402 -6.012 14.255 1.00 1.32 C ATOM 1182 OG1 THR A 75 5.438 -6.000 15.300 1.00 1.51 O ATOM 1183 CG2 THR A 75 5.821 -6.727 13.028 1.00 1.46 C ATOM 0 H THR A 75 7.630 -5.281 16.296 1.00 1.05 H new ATOM 0 HA THR A 75 7.388 -7.784 14.957 1.00 1.11 H new ATOM 0 HB THR A 75 6.664 -4.991 13.977 1.00 1.32 H new ATOM 0 HG1 THR A 75 5.651 -5.283 15.933 1.00 1.51 H new ATOM 0 HG21 THR A 75 4.932 -6.197 12.685 1.00 1.46 H new ATOM 0 HG22 THR A 75 6.564 -6.743 12.231 1.00 1.46 H new ATOM 0 HG23 THR A 75 5.553 -7.749 13.295 1.00 1.46 H new ATOM 1191 N HIS A 76 9.310 -5.537 13.487 1.00 0.82 N ATOM 1192 CA HIS A 76 10.375 -5.365 12.465 1.00 0.70 C ATOM 1193 C HIS A 76 11.511 -6.391 12.711 1.00 0.50 C ATOM 1194 O HIS A 76 11.946 -7.104 11.808 1.00 0.48 O ATOM 1195 CB HIS A 76 10.884 -3.913 12.583 1.00 0.68 C ATOM 1196 CG HIS A 76 12.072 -3.700 11.707 1.00 0.61 C ATOM 1197 ND1 HIS A 76 11.982 -3.116 10.436 1.00 0.79 N ATOM 1198 CD2 HIS A 76 13.380 -4.057 11.869 1.00 0.48 C ATOM 1199 CE1 HIS A 76 13.214 -3.164 9.886 1.00 0.78 C ATOM 1200 NE2 HIS A 76 14.063 -3.719 10.730 1.00 0.61 N ATOM 0 H HIS A 76 9.077 -4.691 14.007 1.00 0.82 H new ATOM 0 HA HIS A 76 9.998 -5.543 11.458 1.00 0.70 H new ATOM 0 HB2 HIS A 76 10.090 -3.220 12.303 1.00 0.68 H new ATOM 0 HB3 HIS A 76 11.146 -3.697 13.619 1.00 0.68 H new ATOM 0 HD1 HIS A 76 11.142 -2.727 10.007 1.00 0.79 H new ATOM 0 HD2 HIS A 76 13.804 -4.526 12.745 1.00 0.48 H new ATOM 0 HE1 HIS A 76 13.467 -2.802 8.901 1.00 0.78 H new ATOM 1208 N SER A 77 11.991 -6.494 13.927 1.00 0.43 N ATOM 1209 CA SER A 77 13.074 -7.476 14.205 1.00 0.34 C ATOM 1210 C SER A 77 12.510 -8.892 14.059 1.00 0.39 C ATOM 1211 O SER A 77 13.206 -9.807 13.669 1.00 0.38 O ATOM 1212 CB SER A 77 13.635 -7.284 15.616 1.00 0.48 C ATOM 1213 OG SER A 77 14.641 -8.265 15.841 1.00 0.66 O ATOM 0 H SER A 77 11.681 -5.945 14.728 1.00 0.43 H new ATOM 0 HA SER A 77 13.885 -7.321 13.494 1.00 0.34 H new ATOM 0 HB2 SER A 77 14.052 -6.283 15.725 1.00 0.48 H new ATOM 0 HB3 SER A 77 12.840 -7.380 16.356 1.00 0.48 H new ATOM 0 HG SER A 77 15.011 -8.153 16.742 1.00 0.66 H new ATOM 1219 N ARG A 78 11.240 -9.077 14.357 1.00 0.54 N ATOM 1220 CA ARG A 78 10.635 -10.432 14.208 1.00 0.60 C ATOM 1221 C ARG A 78 10.745 -10.803 12.739 1.00 0.54 C ATOM 1222 O ARG A 78 10.915 -11.950 12.385 1.00 0.53 O ATOM 1223 CB ARG A 78 9.164 -10.421 14.637 1.00 0.82 C ATOM 1224 CG ARG A 78 9.074 -10.447 16.166 1.00 0.96 C ATOM 1225 CD ARG A 78 7.608 -10.540 16.593 1.00 1.16 C ATOM 1226 NE ARG A 78 7.123 -11.931 16.383 1.00 1.48 N ATOM 1227 CZ ARG A 78 6.025 -12.334 16.962 1.00 1.92 C ATOM 1228 NH1 ARG A 78 5.344 -11.515 17.715 1.00 1.98 N ATOM 1229 NH2 ARG A 78 5.606 -13.558 16.786 1.00 2.75 N ATOM 0 H ARG A 78 10.607 -8.351 14.693 1.00 0.54 H new ATOM 0 HA ARG A 78 11.153 -11.154 14.839 1.00 0.60 H new ATOM 0 HB2 ARG A 78 8.668 -9.531 14.249 1.00 0.82 H new ATOM 0 HB3 ARG A 78 8.646 -11.283 14.217 1.00 0.82 H new ATOM 0 HG2 ARG A 78 9.632 -11.297 16.559 1.00 0.96 H new ATOM 0 HG3 ARG A 78 9.528 -9.548 16.582 1.00 0.96 H new ATOM 0 HD2 ARG A 78 7.504 -10.261 17.641 1.00 1.16 H new ATOM 0 HD3 ARG A 78 7.004 -9.841 16.015 1.00 1.16 H new ATOM 0 HE ARG A 78 7.649 -12.570 15.786 1.00 1.48 H new ATOM 0 HH11 ARG A 78 5.669 -10.558 17.852 1.00 1.98 H new ATOM 0 HH12 ARG A 78 4.486 -11.832 18.167 1.00 1.98 H new ATOM 0 HH21 ARG A 78 6.137 -14.199 16.196 1.00 2.75 H new ATOM 0 HH22 ARG A 78 4.748 -13.873 17.238 1.00 2.75 H new ATOM 1243 N LYS A 79 10.685 -9.827 11.874 1.00 0.59 N ATOM 1244 CA LYS A 79 10.838 -10.141 10.434 1.00 0.68 C ATOM 1245 C LYS A 79 12.278 -10.606 10.222 1.00 0.59 C ATOM 1246 O LYS A 79 12.519 -11.615 9.592 1.00 0.70 O ATOM 1247 CB LYS A 79 10.533 -8.919 9.562 1.00 0.82 C ATOM 1248 CG LYS A 79 9.036 -8.598 9.656 1.00 1.08 C ATOM 1249 CD LYS A 79 8.724 -7.324 8.866 1.00 1.25 C ATOM 1250 CE LYS A 79 7.205 -7.116 8.812 1.00 1.74 C ATOM 1251 NZ LYS A 79 6.670 -6.948 10.195 1.00 2.64 N ATOM 0 H LYS A 79 10.539 -8.843 12.101 1.00 0.59 H new ATOM 0 HA LYS A 79 10.132 -10.919 10.143 1.00 0.68 H new ATOM 0 HB2 LYS A 79 11.123 -8.064 9.893 1.00 0.82 H new ATOM 0 HB3 LYS A 79 10.811 -9.117 8.527 1.00 0.82 H new ATOM 0 HG2 LYS A 79 8.452 -9.431 9.265 1.00 1.08 H new ATOM 0 HG3 LYS A 79 8.748 -8.469 10.699 1.00 1.08 H new ATOM 0 HD2 LYS A 79 9.203 -6.465 9.336 1.00 1.25 H new ATOM 0 HD3 LYS A 79 9.128 -7.401 7.856 1.00 1.25 H new ATOM 0 HE2 LYS A 79 6.970 -6.237 8.212 1.00 1.74 H new ATOM 0 HE3 LYS A 79 6.729 -7.969 8.329 1.00 1.74 H new ATOM 0 HZ1 LYS A 79 5.765 -6.437 10.157 1.00 2.64 H new ATOM 0 HZ2 LYS A 79 6.522 -7.883 10.626 1.00 2.64 H new ATOM 0 HZ3 LYS A 79 7.350 -6.407 10.767 1.00 2.64 H new ATOM 1265 N HIS A 80 13.250 -9.910 10.763 1.00 0.45 N ATOM 1266 CA HIS A 80 14.647 -10.412 10.569 1.00 0.50 C ATOM 1267 C HIS A 80 14.767 -11.817 11.167 1.00 0.48 C ATOM 1268 O HIS A 80 15.004 -12.782 10.467 1.00 0.59 O ATOM 1269 CB HIS A 80 15.677 -9.542 11.286 1.00 0.50 C ATOM 1270 CG HIS A 80 15.804 -8.209 10.620 1.00 0.57 C ATOM 1271 ND1 HIS A 80 15.975 -8.051 9.238 1.00 0.77 N ATOM 1272 CD2 HIS A 80 15.791 -6.957 11.144 1.00 0.52 C ATOM 1273 CE1 HIS A 80 16.052 -6.725 8.992 1.00 0.83 C ATOM 1274 NE2 HIS A 80 15.956 -6.050 10.128 1.00 0.67 N ATOM 0 H HIS A 80 13.146 -9.054 11.307 1.00 0.45 H new ATOM 0 HA HIS A 80 14.842 -10.399 9.497 1.00 0.50 H new ATOM 0 HB2 HIS A 80 15.383 -9.407 12.327 1.00 0.50 H new ATOM 0 HB3 HIS A 80 16.644 -10.045 11.290 1.00 0.50 H new ATOM 0 HD1 HIS A 80 16.031 -8.799 8.546 1.00 0.77 H new ATOM 0 HD2 HIS A 80 15.671 -6.715 12.190 1.00 0.52 H new ATOM 0 HE1 HIS A 80 16.174 -6.281 8.015 1.00 0.83 H new ATOM 1282 N THR A 81 14.638 -11.924 12.470 1.00 0.42 N ATOM 1283 CA THR A 81 14.784 -13.254 13.135 1.00 0.50 C ATOM 1284 C THR A 81 13.826 -14.265 12.501 1.00 0.50 C ATOM 1285 O THR A 81 14.230 -15.318 12.049 1.00 0.60 O ATOM 1286 CB THR A 81 14.485 -13.126 14.638 1.00 0.59 C ATOM 1287 OG1 THR A 81 15.344 -12.151 15.214 1.00 0.65 O ATOM 1288 CG2 THR A 81 14.711 -14.475 15.338 1.00 0.75 C ATOM 0 H THR A 81 14.438 -11.146 13.099 1.00 0.42 H new ATOM 0 HA THR A 81 15.808 -13.603 13.003 1.00 0.50 H new ATOM 0 HB THR A 81 13.446 -12.824 14.766 1.00 0.59 H new ATOM 0 HG1 THR A 81 15.151 -12.070 16.171 1.00 0.65 H new ATOM 0 HG21 THR A 81 14.497 -14.373 16.402 1.00 0.75 H new ATOM 0 HG22 THR A 81 14.050 -15.225 14.905 1.00 0.75 H new ATOM 0 HG23 THR A 81 15.748 -14.785 15.205 1.00 0.75 H new ATOM 1296 N GLY A 82 12.558 -13.961 12.466 1.00 0.51 N ATOM 1297 CA GLY A 82 11.576 -14.907 11.856 1.00 0.61 C ATOM 1298 C GLY A 82 10.324 -14.970 12.734 1.00 1.46 C ATOM 0 H GLY A 82 12.157 -13.098 12.833 1.00 0.51 H new ATOM 0 HA2 GLY A 82 11.313 -14.578 10.850 1.00 0.61 H new ATOM 0 HA3 GLY A 82 12.019 -15.899 11.762 1.00 0.61 H new TER 1302 GLY A 82 ATOM 1303 O5' DC B 101 0.920 -11.807 2.426 1.00 0.00 O ATOM 1304 C5' DC B 101 2.061 -11.632 1.581 1.00 0.00 C ATOM 1305 C4' DC B 101 2.668 -10.242 1.741 1.00 0.00 C ATOM 1306 O4' DC B 101 1.696 -9.256 1.399 1.00 0.00 O ATOM 1307 C3' DC B 101 3.144 -9.917 3.163 1.00 0.00 C ATOM 1308 O3' DC B 101 4.571 -9.834 3.177 1.00 0.00 O ATOM 1309 C2' DC B 101 2.538 -8.543 3.477 1.00 0.00 C ATOM 1310 C1' DC B 101 2.005 -8.078 2.128 1.00 0.00 C ATOM 1311 N1 DC B 101 0.772 -7.264 2.208 1.00 0.00 N ATOM 1312 C2 DC B 101 0.810 -5.980 1.683 1.00 0.00 C ATOM 1313 O2 DC B 101 1.846 -5.549 1.180 1.00 0.00 O ATOM 1314 N3 DC B 101 -0.321 -5.224 1.740 1.00 0.00 N ATOM 1315 C4 DC B 101 -1.442 -5.705 2.291 1.00 0.00 C ATOM 1316 N4 DC B 101 -2.532 -4.938 2.330 1.00 0.00 N ATOM 1317 C5 DC B 101 -1.487 -7.028 2.835 1.00 0.00 C ATOM 1318 C6 DC B 101 -0.363 -7.768 2.773 1.00 0.00 C ATOM 0 H5' DC B 101 1.772 -11.786 0.541 1.00 0.00 H new ATOM 0 H5'' DC B 101 2.810 -12.387 1.819 1.00 0.00 H new ATOM 0 H4' DC B 101 3.537 -10.233 1.083 1.00 0.00 H new ATOM 0 H3' DC B 101 2.845 -10.673 3.889 1.00 0.00 H new ATOM 0 H2' DC B 101 1.744 -8.614 4.220 1.00 0.00 H new ATOM 0 H2'' DC B 101 3.285 -7.855 3.873 1.00 0.00 H new ATOM 0 HO5' DC B 101 0.553 -12.707 2.299 1.00 0.00 H new ATOM 0 H1' DC B 101 2.763 -7.445 1.667 1.00 0.00 H new ATOM 0 H41 DC B 101 -3.392 -5.294 2.748 1.00 0.00 H new ATOM 0 H42 DC B 101 -2.506 -3.995 1.942 1.00 0.00 H new ATOM 0 H5 DC B 101 -2.390 -7.419 3.280 1.00 0.00 H new ATOM 0 H6 DC B 101 -0.360 -8.771 3.175 1.00 0.00 H new ATOM 1331 P DA B 102 5.365 -9.590 4.558 1.00 0.00 P ATOM 1332 OP1 DA B 102 6.629 -10.357 4.509 1.00 0.00 O ATOM 1333 OP2 DA B 102 4.419 -9.799 5.678 1.00 0.00 O ATOM 1334 O5' DA B 102 5.723 -8.022 4.488 1.00 0.00 O ATOM 1335 C5' DA B 102 6.727 -7.548 3.586 1.00 0.00 C ATOM 1336 C4' DA B 102 6.996 -6.058 3.782 1.00 0.00 C ATOM 1337 O4' DA B 102 5.781 -5.327 3.558 1.00 0.00 O ATOM 1338 C3' DA B 102 7.503 -5.692 5.181 1.00 0.00 C ATOM 1339 O3' DA B 102 8.600 -4.780 5.068 1.00 0.00 O ATOM 1340 C2' DA B 102 6.315 -5.001 5.839 1.00 0.00 C ATOM 1341 C1' DA B 102 5.565 -4.430 4.648 1.00 0.00 C ATOM 1342 N9 DA B 102 4.108 -4.326 4.854 1.00 0.00 N ATOM 1343 C8 DA B 102 3.235 -5.276 5.304 1.00 0.00 C ATOM 1344 N7 DA B 102 1.996 -4.893 5.378 1.00 0.00 N ATOM 1345 C5 DA B 102 2.047 -3.572 4.936 1.00 0.00 C ATOM 1346 C6 DA B 102 1.064 -2.591 4.769 1.00 0.00 C ATOM 1347 N6 DA B 102 -0.223 -2.796 5.045 1.00 0.00 N ATOM 1348 N1 DA B 102 1.459 -1.391 4.309 1.00 0.00 N ATOM 1349 C2 DA B 102 2.744 -1.168 4.031 1.00 0.00 C ATOM 1350 N3 DA B 102 3.753 -2.025 4.153 1.00 0.00 N ATOM 1351 C4 DA B 102 3.328 -3.220 4.615 1.00 0.00 C ATOM 0 H5' DA B 102 6.410 -7.730 2.559 1.00 0.00 H new ATOM 0 H5'' DA B 102 7.649 -8.109 3.739 1.00 0.00 H new ATOM 0 H4' DA B 102 7.780 -5.800 3.070 1.00 0.00 H new ATOM 0 H3' DA B 102 7.851 -6.555 5.748 1.00 0.00 H new ATOM 0 H2' DA B 102 5.702 -5.701 6.407 1.00 0.00 H new ATOM 0 H2'' DA B 102 6.632 -4.221 6.531 1.00 0.00 H new ATOM 0 H1' DA B 102 5.936 -3.420 4.474 1.00 0.00 H new ATOM 0 H8 DA B 102 3.552 -6.272 5.578 1.00 0.00 H new ATOM 0 H61 DA B 102 -0.900 -2.046 4.905 1.00 0.00 H new ATOM 0 H62 DA B 102 -0.531 -3.703 5.396 1.00 0.00 H new ATOM 0 H2 DA B 102 2.993 -0.182 3.666 1.00 0.00 H new ATOM 1363 P DT B 103 9.324 -4.197 6.383 1.00 0.00 P ATOM 1364 OP1 DT B 103 10.767 -4.050 6.091 1.00 0.00 O ATOM 1365 OP2 DT B 103 8.885 -4.997 7.547 1.00 0.00 O ATOM 1366 O5' DT B 103 8.684 -2.727 6.513 1.00 0.00 O ATOM 1367 C5' DT B 103 8.918 -1.755 5.495 1.00 0.00 C ATOM 1368 C4' DT B 103 8.080 -0.498 5.703 1.00 0.00 C ATOM 1369 O4' DT B 103 6.701 -0.851 5.831 1.00 0.00 O ATOM 1370 C3' DT B 103 8.437 0.320 6.959 1.00 0.00 C ATOM 1371 O3' DT B 103 8.989 1.582 6.563 1.00 0.00 O ATOM 1372 C2' DT B 103 7.094 0.539 7.659 1.00 0.00 C ATOM 1373 C1' DT B 103 6.101 0.199 6.567 1.00 0.00 C ATOM 1374 N1 DT B 103 4.782 -0.235 7.067 1.00 0.00 N ATOM 1375 C2 DT B 103 3.747 0.683 6.964 1.00 0.00 C ATOM 1376 O2 DT B 103 3.895 1.776 6.422 1.00 0.00 O ATOM 1377 N3 DT B 103 2.535 0.301 7.505 1.00 0.00 N ATOM 1378 C4 DT B 103 2.274 -0.891 8.149 1.00 0.00 C ATOM 1379 O4 DT B 103 1.162 -1.121 8.610 1.00 0.00 O ATOM 1380 C5 DT B 103 3.399 -1.787 8.207 1.00 0.00 C ATOM 1381 C7 DT B 103 3.246 -3.140 8.906 1.00 0.00 C ATOM 1382 C6 DT B 103 4.592 -1.459 7.667 1.00 0.00 C ATOM 0 H5' DT B 103 8.688 -2.187 4.521 1.00 0.00 H new ATOM 0 H5'' DT B 103 9.975 -1.489 5.484 1.00 0.00 H new ATOM 0 H4' DT B 103 8.289 0.117 4.828 1.00 0.00 H new ATOM 0 H3' DT B 103 9.167 -0.177 7.598 1.00 0.00 H new ATOM 0 H2' DT B 103 6.979 -0.108 8.529 1.00 0.00 H new ATOM 0 H2'' DT B 103 6.980 1.566 8.007 1.00 0.00 H new ATOM 0 H1' DT B 103 5.897 1.090 5.974 1.00 0.00 H new ATOM 0 H3 DT B 103 1.762 0.961 7.421 1.00 0.00 H new ATOM 0 H71 DT B 103 3.911 -3.867 8.441 1.00 0.00 H new ATOM 0 H72 DT B 103 3.503 -3.036 9.960 1.00 0.00 H new ATOM 0 H73 DT B 103 2.215 -3.482 8.816 1.00 0.00 H new ATOM 0 H6 DT B 103 5.408 -2.166 7.706 1.00 0.00 H new ATOM 1395 P DA B 104 9.621 2.591 7.652 1.00 0.00 P ATOM 1396 OP1 DA B 104 10.466 3.572 6.935 1.00 0.00 O ATOM 1397 OP2 DA B 104 10.200 1.783 8.748 1.00 0.00 O ATOM 1398 O5' DA B 104 8.328 3.364 8.225 1.00 0.00 O ATOM 1399 C5' DA B 104 7.671 4.362 7.438 1.00 0.00 C ATOM 1400 C4' DA B 104 6.368 4.828 8.083 1.00 0.00 C ATOM 1401 O4' DA B 104 5.477 3.716 8.224 1.00 0.00 O ATOM 1402 C3' DA B 104 6.530 5.454 9.479 1.00 0.00 C ATOM 1403 O3' DA B 104 5.995 6.784 9.462 1.00 0.00 O ATOM 1404 C2' DA B 104 5.695 4.560 10.396 1.00 0.00 C ATOM 1405 C1' DA B 104 4.737 3.908 9.423 1.00 0.00 C ATOM 1406 N9 DA B 104 4.226 2.600 9.865 1.00 0.00 N ATOM 1407 C8 DA B 104 4.921 1.480 10.224 1.00 0.00 C ATOM 1408 N7 DA B 104 4.186 0.475 10.598 1.00 0.00 N ATOM 1409 C5 DA B 104 2.887 0.972 10.474 1.00 0.00 C ATOM 1410 C6 DA B 104 1.628 0.409 10.713 1.00 0.00 C ATOM 1411 N6 DA B 104 1.455 -0.837 11.153 1.00 0.00 N ATOM 1412 N1 DA B 104 0.552 1.180 10.483 1.00 0.00 N ATOM 1413 C2 DA B 104 0.700 2.430 10.045 1.00 0.00 C ATOM 1414 N3 DA B 104 1.842 3.059 9.789 1.00 0.00 N ATOM 1415 C4 DA B 104 2.905 2.262 10.028 1.00 0.00 C ATOM 0 H5' DA B 104 7.462 3.963 6.445 1.00 0.00 H new ATOM 0 H5'' DA B 104 8.336 5.215 7.305 1.00 0.00 H new ATOM 0 H4' DA B 104 5.983 5.600 7.416 1.00 0.00 H new ATOM 0 H3' DA B 104 7.569 5.519 9.803 1.00 0.00 H new ATOM 0 H2' DA B 104 6.309 3.825 10.917 1.00 0.00 H new ATOM 0 H2'' DA B 104 5.171 5.136 11.159 1.00 0.00 H new ATOM 0 H1' DA B 104 3.863 4.550 9.315 1.00 0.00 H new ATOM 0 H8 DA B 104 6.000 1.433 10.199 1.00 0.00 H new ATOM 0 H61 DA B 104 0.513 -1.196 11.310 1.00 0.00 H new ATOM 0 H62 DA B 104 2.264 -1.431 11.333 1.00 0.00 H new ATOM 0 H2 DA B 104 -0.207 2.993 9.880 1.00 0.00 H new ATOM 1427 P DA B 105 5.836 7.638 10.820 1.00 0.00 P ATOM 1428 OP1 DA B 105 5.928 9.075 10.477 1.00 0.00 O ATOM 1429 OP2 DA B 105 6.742 7.061 11.838 1.00 0.00 O ATOM 1430 O5' DA B 105 4.318 7.319 11.257 1.00 0.00 O ATOM 1431 C5' DA B 105 3.229 7.653 10.392 1.00 0.00 C ATOM 1432 C4' DA B 105 1.884 7.236 10.985 1.00 0.00 C ATOM 1433 O4' DA B 105 1.876 5.821 11.207 1.00 0.00 O ATOM 1434 C3' DA B 105 1.548 7.907 12.326 1.00 0.00 C ATOM 1435 O3' DA B 105 0.311 8.618 12.203 1.00 0.00 O ATOM 1436 C2' DA B 105 1.392 6.743 13.307 1.00 0.00 C ATOM 1437 C1' DA B 105 1.119 5.570 12.385 1.00 0.00 C ATOM 1438 N9 DA B 105 1.543 4.270 12.933 1.00 0.00 N ATOM 1439 C8 DA B 105 2.748 3.923 13.471 1.00 0.00 C ATOM 1440 N7 DA B 105 2.828 2.699 13.899 1.00 0.00 N ATOM 1441 C5 DA B 105 1.562 2.185 13.619 1.00 0.00 C ATOM 1442 C6 DA B 105 0.986 0.928 13.827 1.00 0.00 C ATOM 1443 N6 DA B 105 1.631 -0.091 14.389 1.00 0.00 N ATOM 1444 N1 DA B 105 -0.282 0.758 13.430 1.00 0.00 N ATOM 1445 C2 DA B 105 -0.953 1.757 12.862 1.00 0.00 C ATOM 1446 N3 DA B 105 -0.509 2.989 12.622 1.00 0.00 N ATOM 1447 C4 DA B 105 0.772 3.133 13.031 1.00 0.00 C ATOM 0 H5' DA B 105 3.368 7.164 9.428 1.00 0.00 H new ATOM 0 H5'' DA B 105 3.228 8.727 10.208 1.00 0.00 H new ATOM 0 H4' DA B 105 1.137 7.553 10.257 1.00 0.00 H new ATOM 0 H3' DA B 105 2.307 8.619 12.649 1.00 0.00 H new ATOM 0 H2' DA B 105 2.293 6.590 13.902 1.00 0.00 H new ATOM 0 H2'' DA B 105 0.572 6.909 14.006 1.00 0.00 H new ATOM 0 H1' DA B 105 0.044 5.498 12.222 1.00 0.00 H new ATOM 0 H8 DA B 105 3.575 4.615 13.536 1.00 0.00 H new ATOM 0 H61 DA B 105 1.159 -0.986 14.515 1.00 0.00 H new ATOM 0 H62 DA B 105 2.598 0.023 14.694 1.00 0.00 H new ATOM 0 H2 DA B 105 -1.969 1.545 12.563 1.00 0.00 H new ATOM 1459 P DA B 106 -0.375 9.317 13.482 1.00 0.00 P ATOM 1460 OP1 DA B 106 -1.185 10.460 13.008 1.00 0.00 O ATOM 1461 OP2 DA B 106 0.666 9.527 14.512 1.00 0.00 O ATOM 1462 O5' DA B 106 -1.375 8.174 14.012 1.00 0.00 O ATOM 1463 C5' DA B 106 -2.471 7.736 13.206 1.00 0.00 C ATOM 1464 C4' DA B 106 -3.275 6.651 13.914 1.00 0.00 C ATOM 1465 O4' DA B 106 -2.449 5.498 14.106 1.00 0.00 O ATOM 1466 C3' DA B 106 -3.800 7.066 15.297 1.00 0.00 C ATOM 1467 O3' DA B 106 -5.229 7.010 15.305 1.00 0.00 O ATOM 1468 C2' DA B 106 -3.232 6.020 16.256 1.00 0.00 C ATOM 1469 C1' DA B 106 -2.837 4.887 15.328 1.00 0.00 C ATOM 1470 N9 DA B 106 -1.705 4.088 15.824 1.00 0.00 N ATOM 1471 C8 DA B 106 -0.426 4.487 16.096 1.00 0.00 C ATOM 1472 N7 DA B 106 0.331 3.567 16.619 1.00 0.00 N ATOM 1473 C5 DA B 106 -0.511 2.458 16.678 1.00 0.00 C ATOM 1474 C6 DA B 106 -0.318 1.145 17.118 1.00 0.00 C ATOM 1475 N6 DA B 106 0.836 0.704 17.618 1.00 0.00 N ATOM 1476 N1 DA B 106 -1.357 0.301 17.019 1.00 0.00 N ATOM 1477 C2 DA B 106 -2.519 0.718 16.516 1.00 0.00 C ATOM 1478 N3 DA B 106 -2.811 1.940 16.085 1.00 0.00 N ATOM 1479 C4 DA B 106 -1.749 2.765 16.193 1.00 0.00 C ATOM 0 H5' DA B 106 -2.098 7.354 12.256 1.00 0.00 H new ATOM 0 H5'' DA B 106 -3.119 8.582 12.977 1.00 0.00 H new ATOM 0 H4' DA B 106 -4.134 6.453 13.272 1.00 0.00 H new ATOM 0 H3' DA B 106 -3.508 8.080 15.570 1.00 0.00 H new ATOM 0 H2' DA B 106 -2.376 6.404 16.812 1.00 0.00 H new ATOM 0 H2'' DA B 106 -3.972 5.701 16.990 1.00 0.00 H new ATOM 0 H1' DA B 106 -3.680 4.203 15.233 1.00 0.00 H new ATOM 0 H8 DA B 106 -0.072 5.487 15.893 1.00 0.00 H new ATOM 0 H61 DA B 106 0.922 -0.265 17.924 1.00 0.00 H new ATOM 0 H62 DA B 106 1.633 1.336 17.694 1.00 0.00 H new ATOM 0 H2 DA B 106 -3.308 -0.017 16.452 1.00 0.00 H new ATOM 1491 P DT B 107 -6.060 7.502 16.594 1.00 0.00 P ATOM 1492 OP1 DT B 107 -7.439 7.824 16.162 1.00 0.00 O ATOM 1493 OP2 DT B 107 -5.254 8.519 17.305 1.00 0.00 O ATOM 1494 O5' DT B 107 -6.115 6.177 17.507 1.00 0.00 O ATOM 1495 C5' DT B 107 -6.870 5.039 17.083 1.00 0.00 C ATOM 1496 C4' DT B 107 -6.761 3.886 18.077 1.00 0.00 C ATOM 1497 O4' DT B 107 -5.436 3.354 18.068 1.00 0.00 O ATOM 1498 C3' DT B 107 -7.070 4.269 19.533 1.00 0.00 C ATOM 1499 O3' DT B 107 -8.282 3.631 19.943 1.00 0.00 O ATOM 1500 C2' DT B 107 -5.884 3.710 20.333 1.00 0.00 C ATOM 1501 C1' DT B 107 -5.237 2.760 19.342 1.00 0.00 C ATOM 1502 N1 DT B 107 -3.785 2.550 19.544 1.00 0.00 N ATOM 1503 C2 DT B 107 -3.357 1.254 19.762 1.00 0.00 C ATOM 1504 O2 DT B 107 -4.139 0.306 19.785 1.00 0.00 O ATOM 1505 N3 DT B 107 -2.000 1.080 19.956 1.00 0.00 N ATOM 1506 C4 DT B 107 -1.048 2.084 19.972 1.00 0.00 C ATOM 1507 O4 DT B 107 0.135 1.824 20.176 1.00 0.00 O ATOM 1508 C5 DT B 107 -1.586 3.409 19.735 1.00 0.00 C ATOM 1509 C7 DT B 107 -0.647 4.612 19.729 1.00 0.00 C ATOM 1510 C6 DT B 107 -2.906 3.598 19.518 1.00 0.00 C ATOM 0 H5' DT B 107 -6.516 4.711 16.106 1.00 0.00 H new ATOM 0 H5'' DT B 107 -7.917 5.320 16.965 1.00 0.00 H new ATOM 0 H4' DT B 107 -7.509 3.165 17.746 1.00 0.00 H new ATOM 0 H3' DT B 107 -7.197 5.342 19.675 1.00 0.00 H new ATOM 0 H2' DT B 107 -5.199 4.498 20.646 1.00 0.00 H new ATOM 0 H2'' DT B 107 -6.211 3.194 21.236 1.00 0.00 H new ATOM 0 H1' DT B 107 -5.689 1.775 19.460 1.00 0.00 H new ATOM 0 H3 DT B 107 -1.670 0.126 20.100 1.00 0.00 H new ATOM 0 H71 DT B 107 -1.039 5.376 19.058 1.00 0.00 H new ATOM 0 H72 DT B 107 -0.571 5.019 20.737 1.00 0.00 H new ATOM 0 H73 DT B 107 0.340 4.301 19.388 1.00 0.00 H new ATOM 0 H6 DT B 107 -3.274 4.594 19.321 1.00 0.00 H new ATOM 1523 P DC B 108 -8.835 3.799 21.446 1.00 0.00 P ATOM 1524 OP1 DC B 108 -10.307 3.642 21.419 1.00 0.00 O ATOM 1525 OP2 DC B 108 -8.234 5.021 22.026 1.00 0.00 O ATOM 1526 O5' DC B 108 -8.205 2.522 22.196 1.00 0.00 O ATOM 1527 C5' DC B 108 -8.546 1.198 21.778 1.00 0.00 C ATOM 1528 C4' DC B 108 -7.792 0.144 22.584 1.00 0.00 C ATOM 1529 O4' DC B 108 -6.388 0.289 22.370 1.00 0.00 O ATOM 1530 C3' DC B 108 -8.022 0.223 24.100 1.00 0.00 C ATOM 1531 O3' DC B 108 -8.739 -0.942 24.524 1.00 0.00 O ATOM 1532 C2' DC B 108 -6.612 0.237 24.706 1.00 0.00 C ATOM 1533 C1' DC B 108 -5.731 -0.178 23.540 1.00 0.00 C ATOM 1534 N1 DC B 108 -4.378 0.416 23.569 1.00 0.00 N ATOM 1535 C2 DC B 108 -3.290 -0.444 23.656 1.00 0.00 C ATOM 1536 O2 DC B 108 -3.465 -1.661 23.699 1.00 0.00 O ATOM 1537 N3 DC B 108 -2.043 0.097 23.697 1.00 0.00 N ATOM 1538 C4 DC B 108 -1.867 1.424 23.654 1.00 0.00 C ATOM 1539 N4 DC B 108 -0.633 1.920 23.705 1.00 0.00 N ATOM 1540 C5 DC B 108 -2.983 2.313 23.562 1.00 0.00 C ATOM 1541 C6 DC B 108 -4.213 1.770 23.523 1.00 0.00 C ATOM 0 H5' DC B 108 -8.317 1.080 20.719 1.00 0.00 H new ATOM 0 H5'' DC B 108 -9.619 1.045 21.891 1.00 0.00 H new ATOM 0 H4' DC B 108 -8.177 -0.813 22.233 1.00 0.00 H new ATOM 0 H3' DC B 108 -8.601 1.096 24.402 1.00 0.00 H new ATOM 0 H2' DC B 108 -6.345 1.225 25.082 1.00 0.00 H new ATOM 0 H2'' DC B 108 -6.526 -0.456 25.543 1.00 0.00 H new ATOM 0 H1' DC B 108 -5.594 -1.259 23.579 1.00 0.00 H new ATOM 0 H41 DC B 108 -0.487 2.929 23.673 1.00 0.00 H new ATOM 0 H42 DC B 108 0.167 1.291 23.776 1.00 0.00 H new ATOM 0 H5 DC B 108 -2.843 3.383 23.525 1.00 0.00 H new ATOM 0 H6 DC B 108 -5.079 2.412 23.455 1.00 0.00 H new ATOM 1553 P DA B 109 -8.883 -1.314 26.083 1.00 0.00 P ATOM 1554 OP1 DA B 109 -10.141 -2.070 26.270 1.00 0.00 O ATOM 1555 OP2 DA B 109 -8.626 -0.093 26.881 1.00 0.00 O ATOM 1556 O5' DA B 109 -7.652 -2.319 26.307 1.00 0.00 O ATOM 1557 C5' DA B 109 -7.409 -3.382 25.387 1.00 0.00 C ATOM 1558 C4' DA B 109 -6.241 -4.238 25.849 1.00 0.00 C ATOM 1559 O4' DA B 109 -5.025 -3.468 25.781 1.00 0.00 O ATOM 1560 C3' DA B 109 -6.380 -4.722 27.292 1.00 0.00 C ATOM 1561 O3' DA B 109 -5.857 -6.050 27.399 1.00 0.00 O ATOM 1562 C2' DA B 109 -5.507 -3.743 28.062 1.00 0.00 C ATOM 1563 C1' DA B 109 -4.400 -3.493 27.067 1.00 0.00 C ATOM 1564 N9 DA B 109 -3.639 -2.236 27.244 1.00 0.00 N ATOM 1565 C8 DA B 109 -4.075 -0.967 27.509 1.00 0.00 C ATOM 1566 N7 DA B 109 -3.132 -0.067 27.578 1.00 0.00 N ATOM 1567 C5 DA B 109 -1.972 -0.810 27.349 1.00 0.00 C ATOM 1568 C6 DA B 109 -0.610 -0.471 27.293 1.00 0.00 C ATOM 1569 N6 DA B 109 -0.165 0.772 27.476 1.00 0.00 N ATOM 1570 N1 DA B 109 0.273 -1.467 27.050 1.00 0.00 N ATOM 1571 C2 DA B 109 -0.169 -2.715 26.874 1.00 0.00 C ATOM 1572 N3 DA B 109 -1.427 -3.127 26.903 1.00 0.00 N ATOM 1573 C4 DA B 109 -2.278 -2.121 27.147 1.00 0.00 C ATOM 0 H5' DA B 109 -7.198 -2.973 24.399 1.00 0.00 H new ATOM 0 H5'' DA B 109 -8.303 -3.999 25.292 1.00 0.00 H new ATOM 0 H4' DA B 109 -6.224 -5.106 25.190 1.00 0.00 H new ATOM 0 H3' DA B 109 -7.408 -4.754 27.654 1.00 0.00 H new ATOM 0 H2' DA B 109 -6.042 -2.829 28.320 1.00 0.00 H new ATOM 0 H2'' DA B 109 -5.135 -4.169 28.994 1.00 0.00 H new ATOM 0 H1' DA B 109 -3.661 -4.283 27.203 1.00 0.00 H new ATOM 0 H8 DA B 109 -5.119 -0.728 27.650 1.00 0.00 H new ATOM 0 H61 DA B 109 0.835 0.968 27.426 1.00 0.00 H new ATOM 0 H62 DA B 109 -0.824 1.527 27.666 1.00 0.00 H new ATOM 0 H2 DA B 109 0.581 -3.470 26.688 1.00 0.00 H new ATOM 1585 P DC B 110 -5.712 -6.772 28.832 1.00 0.00 P ATOM 1586 OP1 DC B 110 -6.062 -8.200 28.669 1.00 0.00 O ATOM 1587 OP2 DC B 110 -6.417 -5.950 29.841 1.00 0.00 O ATOM 1588 O5' DC B 110 -4.130 -6.670 29.112 1.00 0.00 O ATOM 1589 C5' DC B 110 -3.206 -7.417 28.315 1.00 0.00 C ATOM 1590 C4' DC B 110 -1.763 -7.188 28.754 1.00 0.00 C ATOM 1591 O4' DC B 110 -1.425 -5.803 28.579 1.00 0.00 O ATOM 1592 C3' DC B 110 -1.490 -7.539 30.223 1.00 0.00 C ATOM 1593 O3' DC B 110 -0.306 -8.341 30.308 1.00 0.00 O ATOM 1594 C2' DC B 110 -1.251 -6.186 30.882 1.00 0.00 C ATOM 1595 C1' DC B 110 -0.698 -5.376 29.727 1.00 0.00 C ATOM 1596 N1 DC B 110 -0.873 -3.913 29.865 1.00 0.00 N ATOM 1597 C2 DC B 110 0.272 -3.129 29.908 1.00 0.00 C ATOM 1598 O2 DC B 110 1.381 -3.653 29.831 1.00 0.00 O ATOM 1599 N3 DC B 110 0.125 -1.781 30.039 1.00 0.00 N ATOM 1600 C4 DC B 110 -1.090 -1.226 30.124 1.00 0.00 C ATOM 1601 N4 DC B 110 -1.198 0.096 30.253 1.00 0.00 N ATOM 1602 C5 DC B 110 -2.271 -2.030 30.079 1.00 0.00 C ATOM 1603 C6 DC B 110 -2.117 -3.362 29.950 1.00 0.00 C ATOM 0 H5' DC B 110 -3.317 -7.133 27.268 1.00 0.00 H new ATOM 0 H5'' DC B 110 -3.443 -8.479 28.384 1.00 0.00 H new ATOM 0 H4' DC B 110 -1.160 -7.851 28.134 1.00 0.00 H new ATOM 0 H3' DC B 110 -2.300 -8.099 30.691 1.00 0.00 H new ATOM 0 H2' DC B 110 -2.170 -5.756 31.280 1.00 0.00 H new ATOM 0 H2'' DC B 110 -0.545 -6.253 31.710 1.00 0.00 H new ATOM 0 H1' DC B 110 0.378 -5.543 29.673 1.00 0.00 H new ATOM 0 H41 DC B 110 -2.119 0.528 30.319 1.00 0.00 H new ATOM 0 H42 DC B 110 -0.359 0.675 30.286 1.00 0.00 H new ATOM 0 H5 DC B 110 -3.253 -1.585 30.146 1.00 0.00 H new ATOM 0 H6 DC B 110 -2.988 -4.000 29.914 1.00 0.00 H new ATOM 1615 P DT B 111 0.232 -8.869 31.732 1.00 0.00 P ATOM 1616 OP1 DT B 111 1.082 -10.057 31.494 1.00 0.00 O ATOM 1617 OP2 DT B 111 -0.920 -8.960 32.658 1.00 0.00 O ATOM 1618 O5' DT B 111 1.179 -7.662 32.224 1.00 0.00 O ATOM 1619 C5' DT B 111 2.378 -7.346 31.512 1.00 0.00 C ATOM 1620 C4' DT B 111 3.090 -6.138 32.116 1.00 0.00 C ATOM 1621 O4' DT B 111 2.265 -4.981 31.998 1.00 0.00 O ATOM 1622 C3' DT B 111 3.424 -6.280 33.606 1.00 0.00 C ATOM 1623 O3' DT B 111 4.832 -6.481 33.763 1.00 0.00 O ATOM 1624 C2' DT B 111 3.018 -4.933 34.222 1.00 0.00 C ATOM 1625 C1' DT B 111 2.688 -4.076 33.007 1.00 0.00 C ATOM 1626 N1 DT B 111 1.606 -3.089 33.227 1.00 0.00 N ATOM 1627 C2 DT B 111 1.975 -1.767 33.422 1.00 0.00 C ATOM 1628 O2 DT B 111 3.150 -1.409 33.415 1.00 0.00 O ATOM 1629 N3 DT B 111 0.941 -0.873 33.622 1.00 0.00 N ATOM 1630 C4 DT B 111 -0.406 -1.174 33.643 1.00 0.00 C ATOM 1631 O4 DT B 111 -1.239 -0.289 33.822 1.00 0.00 O ATOM 1632 C5 DT B 111 -0.702 -2.573 33.433 1.00 0.00 C ATOM 1633 C7 DT B 111 -2.156 -3.043 33.443 1.00 0.00 C ATOM 1634 C6 DT B 111 0.288 -3.471 33.237 1.00 0.00 C ATOM 0 H5' DT B 111 2.139 -7.143 30.468 1.00 0.00 H new ATOM 0 H5'' DT B 111 3.047 -8.207 31.525 1.00 0.00 H new ATOM 0 H4' DT B 111 4.024 -6.056 31.559 1.00 0.00 H new ATOM 0 H3' DT B 111 2.914 -7.122 34.074 1.00 0.00 H new ATOM 0 H2' DT B 111 2.160 -5.037 34.886 1.00 0.00 H new ATOM 0 H2'' DT B 111 3.826 -4.500 34.812 1.00 0.00 H new ATOM 0 H1' DT B 111 3.573 -3.494 32.750 1.00 0.00 H new ATOM 0 H3 DT B 111 1.198 0.103 33.768 1.00 0.00 H new ATOM 0 H71 DT B 111 -2.264 -3.907 32.787 1.00 0.00 H new ATOM 0 H72 DT B 111 -2.442 -3.320 34.458 1.00 0.00 H new ATOM 0 H73 DT B 111 -2.801 -2.238 33.091 1.00 0.00 H new ATOM 0 H6 DT B 111 0.037 -4.510 33.085 1.00 0.00 H new ATOM 1647 P DG B 112 5.423 -7.094 35.132 1.00 0.00 P ATOM 1648 OP1 DG B 112 6.698 -7.778 34.820 1.00 0.00 O ATOM 1649 OP2 DG B 112 4.338 -7.833 35.814 1.00 0.00 O ATOM 1650 O5' DG B 112 5.758 -5.778 36.000 1.00 0.00 O ATOM 1651 C5' DG B 112 7.043 -5.157 35.911 1.00 0.00 C ATOM 1652 C4' DG B 112 7.169 -3.982 36.878 1.00 0.00 C ATOM 1653 O4' DG B 112 6.174 -3.000 36.557 1.00 0.00 O ATOM 1654 C3' DG B 112 6.983 -4.361 38.353 1.00 0.00 C ATOM 1655 O3' DG B 112 7.994 -3.726 39.143 1.00 0.00 O ATOM 1656 C2' DG B 112 5.614 -3.796 38.710 1.00 0.00 C ATOM 1657 C1' DG B 112 5.486 -2.626 37.750 1.00 0.00 C ATOM 1658 N9 DG B 112 4.098 -2.297 37.376 1.00 0.00 N ATOM 1659 C8 DG B 112 3.081 -3.136 37.020 1.00 0.00 C ATOM 1660 N7 DG B 112 1.959 -2.552 36.725 1.00 0.00 N ATOM 1661 C5 DG B 112 2.251 -1.200 36.891 1.00 0.00 C ATOM 1662 C6 DG B 112 1.420 -0.062 36.708 1.00 0.00 C ATOM 1663 O6 DG B 112 0.245 -0.025 36.355 1.00 0.00 O ATOM 1664 N1 DG B 112 2.103 1.113 36.978 1.00 0.00 N ATOM 1665 C2 DG B 112 3.420 1.193 37.378 1.00 0.00 C ATOM 1666 N2 DG B 112 3.898 2.419 37.588 1.00 0.00 N ATOM 1667 N3 DG B 112 4.206 0.125 37.552 1.00 0.00 N ATOM 1668 C4 DG B 112 3.558 -1.034 37.291 1.00 0.00 C ATOM 0 H5' DG B 112 7.210 -4.809 34.892 1.00 0.00 H new ATOM 0 H5'' DG B 112 7.818 -5.892 36.128 1.00 0.00 H new ATOM 0 H4' DG B 112 8.185 -3.606 36.760 1.00 0.00 H new ATOM 0 H3' DG B 112 7.055 -5.434 38.530 1.00 0.00 H new ATOM 0 H2' DG B 112 4.821 -4.530 38.565 1.00 0.00 H new ATOM 0 H2'' DG B 112 5.565 -3.475 39.751 1.00 0.00 H new ATOM 0 H1' DG B 112 5.894 -1.746 38.248 1.00 0.00 H new ATOM 0 H8 DG B 112 3.201 -4.209 36.986 1.00 0.00 H new ATOM 0 H1 DG B 112 1.591 1.989 36.872 1.00 0.00 H new ATOM 0 H21 DG B 112 4.865 2.545 37.886 1.00 0.00 H new ATOM 0 H22 DG B 112 3.296 3.231 37.451 1.00 0.00 H new ATOM 1680 P DC B 113 8.103 -4.023 40.723 1.00 0.00 P ATOM 1681 OP1 DC B 113 9.537 -4.089 41.083 1.00 0.00 O ATOM 1682 OP2 DC B 113 7.209 -5.158 41.043 1.00 0.00 O ATOM 1683 O5' DC B 113 7.480 -2.691 41.381 1.00 0.00 O ATOM 1684 C5' DC B 113 8.274 -1.508 41.514 1.00 0.00 C ATOM 1685 C4' DC B 113 7.478 -0.361 42.132 1.00 0.00 C ATOM 1686 O4' DC B 113 6.338 -0.086 41.314 1.00 0.00 O ATOM 1687 C3' DC B 113 6.965 -0.638 43.553 1.00 0.00 C ATOM 1688 O3' DC B 113 7.477 0.361 44.441 1.00 0.00 O ATOM 1689 C2' DC B 113 5.442 -0.514 43.448 1.00 0.00 C ATOM 1690 C1' DC B 113 5.256 0.278 42.164 1.00 0.00 C ATOM 1691 N1 DC B 113 4.004 -0.024 41.436 1.00 0.00 N ATOM 1692 C2 DC B 113 3.132 1.027 41.183 1.00 0.00 C ATOM 1693 O2 DC B 113 3.393 2.157 41.590 1.00 0.00 O ATOM 1694 N3 DC B 113 1.996 0.767 40.482 1.00 0.00 N ATOM 1695 C4 DC B 113 1.724 -0.470 40.045 1.00 0.00 C ATOM 1696 N4 DC B 113 0.616 -0.687 39.340 1.00 0.00 N ATOM 1697 C5 DC B 113 2.615 -1.555 40.307 1.00 0.00 C ATOM 1698 C6 DC B 113 3.737 -1.290 41.002 1.00 0.00 C ATOM 0 H5' DC B 113 8.646 -1.207 40.535 1.00 0.00 H new ATOM 0 H5'' DC B 113 9.145 -1.722 42.133 1.00 0.00 H new ATOM 0 H4' DC B 113 8.171 0.479 42.191 1.00 0.00 H new ATOM 0 H3' DC B 113 7.272 -1.613 43.932 1.00 0.00 H new ATOM 0 H2' DC B 113 4.960 -1.490 43.395 1.00 0.00 H new ATOM 0 H2'' DC B 113 5.018 0.005 44.308 1.00 0.00 H new ATOM 0 H1' DC B 113 5.217 1.335 42.428 1.00 0.00 H new ATOM 0 H41 DC B 113 0.401 -1.626 39.003 1.00 0.00 H new ATOM 0 H42 DC B 113 -0.018 0.085 39.136 1.00 0.00 H new ATOM 0 H5 DC B 113 2.396 -2.554 39.959 1.00 0.00 H new ATOM 0 H6 DC B 113 4.433 -2.087 41.218 1.00 0.00 H new ATOM 1710 P DC B 114 7.057 0.378 45.996 1.00 0.00 P ATOM 1711 OP1 DC B 114 8.189 0.927 46.776 1.00 0.00 O ATOM 1712 OP2 DC B 114 6.499 -0.949 46.340 1.00 0.00 O ATOM 1713 O5' DC B 114 5.859 1.452 46.023 1.00 0.00 O ATOM 1714 C5' DC B 114 6.111 2.825 45.710 1.00 0.00 C ATOM 1715 C4' DC B 114 4.819 3.635 45.652 1.00 0.00 C ATOM 1716 O4' DC B 114 3.940 3.055 44.687 1.00 0.00 O ATOM 1717 C3' DC B 114 4.052 3.699 46.981 1.00 0.00 C ATOM 1718 O3' DC B 114 3.965 5.062 47.407 1.00 0.00 O ATOM 1719 C2' DC B 114 2.654 3.163 46.652 1.00 0.00 C ATOM 1720 C1' DC B 114 2.605 3.251 45.133 1.00 0.00 C ATOM 1721 N1 DC B 114 1.762 2.225 44.475 1.00 0.00 N ATOM 1722 C2 DC B 114 0.769 2.667 43.612 1.00 0.00 C ATOM 1723 O2 DC B 114 0.583 3.871 43.450 1.00 0.00 O ATOM 1724 N3 DC B 114 0.015 1.739 42.966 1.00 0.00 N ATOM 1725 C4 DC B 114 0.225 0.431 43.149 1.00 0.00 C ATOM 1726 N4 DC B 114 -0.534 -0.448 42.495 1.00 0.00 N ATOM 1727 C5 DC B 114 1.245 -0.033 44.037 1.00 0.00 C ATOM 1728 C6 DC B 114 1.982 0.892 44.683 1.00 0.00 C ATOM 0 H5' DC B 114 6.626 2.892 44.752 1.00 0.00 H new ATOM 0 H5'' DC B 114 6.776 3.253 46.460 1.00 0.00 H new ATOM 0 H4' DC B 114 5.123 4.649 45.394 1.00 0.00 H new ATOM 0 H3' DC B 114 4.533 3.129 47.776 1.00 0.00 H new ATOM 0 H2' DC B 114 2.521 2.139 47.002 1.00 0.00 H new ATOM 0 H2'' DC B 114 1.872 3.763 47.117 1.00 0.00 H new ATOM 0 H1' DC B 114 2.168 4.215 44.873 1.00 0.00 H new ATOM 0 H41 DC B 114 -0.384 -1.448 42.626 1.00 0.00 H new ATOM 0 H42 DC B 114 -1.265 -0.120 41.864 1.00 0.00 H new ATOM 0 H5 DC B 114 1.419 -1.089 44.185 1.00 0.00 H new ATOM 0 H6 DC B 114 2.753 0.577 45.371 1.00 0.00 H new ATOM 1740 P DT B 115 3.270 5.443 48.809 1.00 0.00 P ATOM 1741 OP1 DT B 115 3.902 6.681 49.317 1.00 0.00 O ATOM 1742 OP2 DT B 115 3.237 4.229 49.655 1.00 0.00 O ATOM 1743 O5' DT B 115 1.761 5.792 48.370 1.00 0.00 O ATOM 1744 C5' DT B 115 1.496 6.902 47.507 1.00 0.00 C ATOM 1745 C4' DT B 115 -0.002 7.104 47.304 1.00 0.00 C ATOM 1746 O4' DT B 115 -0.568 5.915 46.740 1.00 0.00 O ATOM 1747 C3' DT B 115 -0.777 7.410 48.594 1.00 0.00 C ATOM 1748 O3' DT B 115 -1.535 8.611 48.422 1.00 0.00 O ATOM 1749 C2' DT B 115 -1.719 6.221 48.763 1.00 0.00 C ATOM 1750 C1' DT B 115 -1.837 5.696 47.344 1.00 0.00 C ATOM 1751 N1 DT B 115 -2.139 4.252 47.256 1.00 0.00 N ATOM 1752 C2 DT B 115 -3.327 3.881 46.653 1.00 0.00 C ATOM 1753 O2 DT B 115 -4.112 4.706 46.190 1.00 0.00 O ATOM 1754 N3 DT B 115 -3.581 2.524 46.600 1.00 0.00 N ATOM 1755 C4 DT B 115 -2.764 1.520 47.090 1.00 0.00 C ATOM 1756 O4 DT B 115 -3.090 0.340 46.989 1.00 0.00 O ATOM 1757 C5 DT B 115 -1.546 2.002 47.702 1.00 0.00 C ATOM 1758 C7 DT B 115 -0.556 1.002 48.291 1.00 0.00 C ATOM 1759 C6 DT B 115 -1.273 3.322 47.765 1.00 0.00 C ATOM 0 H5' DT B 115 1.976 6.738 46.543 1.00 0.00 H new ATOM 0 H5'' DT B 115 1.933 7.806 47.931 1.00 0.00 H new ATOM 0 H4' DT B 115 -0.095 7.969 46.647 1.00 0.00 H new ATOM 0 H3' DT B 115 -0.125 7.551 49.456 1.00 0.00 H new ATOM 0 H2' DT B 115 -1.310 5.472 49.441 1.00 0.00 H new ATOM 0 H2'' DT B 115 -2.686 6.522 49.167 1.00 0.00 H new ATOM 0 H1' DT B 115 -2.664 6.212 46.857 1.00 0.00 H new ATOM 0 H3 DT B 115 -4.453 2.235 46.158 1.00 0.00 H new ATOM 0 H71 DT B 115 0.455 1.404 48.217 1.00 0.00 H new ATOM 0 H72 DT B 115 -0.799 0.823 49.338 1.00 0.00 H new ATOM 0 H73 DT B 115 -0.615 0.064 47.739 1.00 0.00 H new ATOM 0 H6 DT B 115 -0.353 3.651 48.226 1.00 0.00 H new ATOM 1772 P DA B 116 -2.445 9.183 49.621 1.00 0.00 P ATOM 1773 OP1 DA B 116 -2.511 10.656 49.489 1.00 0.00 O ATOM 1774 OP2 DA B 116 -1.977 8.576 50.888 1.00 0.00 O ATOM 1775 O5' DA B 116 -3.900 8.582 49.282 1.00 0.00 O ATOM 1776 C5' DA B 116 -4.651 9.087 48.175 1.00 0.00 C ATOM 1777 C4' DA B 116 -6.132 8.730 48.289 1.00 0.00 C ATOM 1778 O4' DA B 116 -6.281 7.302 48.234 1.00 0.00 O ATOM 1779 C3' DA B 116 -6.793 9.207 49.587 1.00 0.00 C ATOM 1780 O3' DA B 116 -8.110 9.711 49.347 1.00 0.00 O ATOM 1781 C2' DA B 116 -6.824 7.946 50.435 1.00 0.00 C ATOM 1782 C1' DA B 116 -7.010 6.869 49.383 1.00 0.00 C ATOM 1783 N9 DA B 116 -6.491 5.548 49.776 1.00 0.00 N ATOM 1784 C8 DA B 116 -5.278 5.229 50.314 1.00 0.00 C ATOM 1785 N7 DA B 116 -5.101 3.963 50.558 1.00 0.00 N ATOM 1786 C5 DA B 116 -6.303 3.392 50.143 1.00 0.00 C ATOM 1787 C6 DA B 116 -6.773 2.073 50.129 1.00 0.00 C ATOM 1788 N6 DA B 116 -6.053 1.038 50.563 1.00 0.00 N ATOM 1789 N1 DA B 116 -8.011 1.861 49.652 1.00 0.00 N ATOM 1790 C2 DA B 116 -8.746 2.884 49.213 1.00 0.00 C ATOM 1791 N3 DA B 116 -8.398 4.166 49.182 1.00 0.00 N ATOM 1792 C4 DA B 116 -7.153 4.350 49.666 1.00 0.00 C ATOM 0 H5' DA B 116 -4.249 8.681 47.247 1.00 0.00 H new ATOM 0 H5'' DA B 116 -4.540 10.170 48.124 1.00 0.00 H new ATOM 0 H4' DA B 116 -6.623 9.238 47.459 1.00 0.00 H new ATOM 0 H3' DA B 116 -6.261 10.030 50.064 1.00 0.00 H new ATOM 0 H2' DA B 116 -5.902 7.811 51.000 1.00 0.00 H new ATOM 0 H2'' DA B 116 -7.641 7.958 51.156 1.00 0.00 H new ATOM 0 HO3' DA B 116 -8.507 10.006 50.193 1.00 0.00 H new ATOM 0 H1' DA B 116 -8.079 6.743 49.214 1.00 0.00 H new ATOM 0 H8 DA B 116 -4.522 5.971 50.522 1.00 0.00 H new ATOM 0 H61 DA B 116 -6.443 0.096 50.531 1.00 0.00 H new ATOM 0 H62 DA B 116 -5.112 1.188 50.927 1.00 0.00 H new ATOM 0 H2 DA B 116 -9.732 2.644 48.842 1.00 0.00 H new TER 1805 DA B 116 ATOM 1806 O5' DT C 201 -14.272 -5.024 49.571 1.00 0.00 O ATOM 1807 C5' DT C 201 -15.235 -3.966 49.584 1.00 0.00 C ATOM 1808 C4' DT C 201 -14.724 -2.733 48.845 1.00 0.00 C ATOM 1809 O4' DT C 201 -13.529 -2.262 49.476 1.00 0.00 O ATOM 1810 C3' DT C 201 -14.390 -2.977 47.366 1.00 0.00 C ATOM 1811 O3' DT C 201 -15.160 -2.087 46.551 1.00 0.00 O ATOM 1812 C2' DT C 201 -12.905 -2.635 47.246 1.00 0.00 C ATOM 1813 C1' DT C 201 -12.669 -1.758 48.463 1.00 0.00 C ATOM 1814 N1 DT C 201 -11.284 -1.793 48.983 1.00 0.00 N ATOM 1815 C2 DT C 201 -10.587 -0.598 49.037 1.00 0.00 C ATOM 1816 O2 DT C 201 -11.082 0.464 48.666 1.00 0.00 O ATOM 1817 N3 DT C 201 -9.300 -0.667 49.536 1.00 0.00 N ATOM 1818 C4 DT C 201 -8.657 -1.810 49.977 1.00 0.00 C ATOM 1819 O4 DT C 201 -7.505 -1.757 50.402 1.00 0.00 O ATOM 1820 C5 DT C 201 -9.460 -3.010 49.884 1.00 0.00 C ATOM 1821 C7 DT C 201 -8.875 -4.345 50.337 1.00 0.00 C ATOM 1822 C6 DT C 201 -10.719 -2.969 49.402 1.00 0.00 C ATOM 0 H5' DT C 201 -15.472 -3.701 50.615 1.00 0.00 H new ATOM 0 H5'' DT C 201 -16.161 -4.310 49.123 1.00 0.00 H new ATOM 0 H4' DT C 201 -15.538 -2.009 48.888 1.00 0.00 H new ATOM 0 H3' DT C 201 -14.609 -3.996 47.046 1.00 0.00 H new ATOM 0 H2' DT C 201 -12.280 -3.528 47.263 1.00 0.00 H new ATOM 0 H2'' DT C 201 -12.684 -2.108 46.318 1.00 0.00 H new ATOM 0 HO5' DT C 201 -14.630 -5.798 50.054 1.00 0.00 H new ATOM 0 H1' DT C 201 -12.859 -0.723 48.179 1.00 0.00 H new ATOM 0 H3 DT C 201 -8.775 0.206 49.584 1.00 0.00 H new ATOM 0 H71 DT C 201 -9.676 -4.987 50.704 1.00 0.00 H new ATOM 0 H72 DT C 201 -8.378 -4.829 49.496 1.00 0.00 H new ATOM 0 H73 DT C 201 -8.153 -4.174 51.135 1.00 0.00 H new ATOM 0 H6 DT C 201 -11.294 -3.882 49.345 1.00 0.00 H new ATOM 1836 P DA C 202 -15.008 -2.108 44.947 1.00 0.00 P ATOM 1837 OP1 DA C 202 -16.308 -1.721 44.354 1.00 0.00 O ATOM 1838 OP2 DA C 202 -14.373 -3.387 44.558 1.00 0.00 O ATOM 1839 O5' DA C 202 -13.956 -0.919 44.673 1.00 0.00 O ATOM 1840 C5' DA C 202 -14.384 0.446 44.690 1.00 0.00 C ATOM 1841 C4' DA C 202 -13.280 1.388 44.216 1.00 0.00 C ATOM 1842 O4' DA C 202 -12.172 1.314 45.114 1.00 0.00 O ATOM 1843 C3' DA C 202 -12.744 1.078 42.811 1.00 0.00 C ATOM 1844 O3' DA C 202 -12.979 2.206 41.960 1.00 0.00 O ATOM 1845 C2' DA C 202 -11.240 0.865 43.003 1.00 0.00 C ATOM 1846 C1' DA C 202 -10.980 1.492 44.359 1.00 0.00 C ATOM 1847 N9 DA C 202 -9.884 0.860 45.106 1.00 0.00 N ATOM 1848 C8 DA C 202 -9.893 -0.306 45.809 1.00 0.00 C ATOM 1849 N7 DA C 202 -8.770 -0.613 46.385 1.00 0.00 N ATOM 1850 C5 DA C 202 -7.938 0.449 46.032 1.00 0.00 C ATOM 1851 C6 DA C 202 -6.602 0.744 46.319 1.00 0.00 C ATOM 1852 N6 DA C 202 -5.827 -0.042 47.066 1.00 0.00 N ATOM 1853 N1 DA C 202 -6.093 1.877 45.804 1.00 0.00 N ATOM 1854 C2 DA C 202 -6.852 2.675 45.053 1.00 0.00 C ATOM 1855 N3 DA C 202 -8.127 2.492 44.724 1.00 0.00 N ATOM 1856 C4 DA C 202 -8.610 1.349 45.252 1.00 0.00 C ATOM 0 H5' DA C 202 -14.688 0.720 45.700 1.00 0.00 H new ATOM 0 H5'' DA C 202 -15.260 0.561 44.052 1.00 0.00 H new ATOM 0 H4' DA C 202 -13.737 2.377 44.189 1.00 0.00 H new ATOM 0 H3' DA C 202 -13.222 0.211 42.356 1.00 0.00 H new ATOM 0 H2' DA C 202 -10.977 -0.193 42.990 1.00 0.00 H new ATOM 0 H2'' DA C 202 -10.660 1.348 42.217 1.00 0.00 H new ATOM 0 H1' DA C 202 -10.697 2.533 44.203 1.00 0.00 H new ATOM 0 H8 DA C 202 -10.771 -0.931 45.882 1.00 0.00 H new ATOM 0 H61 DA C 202 -4.858 0.220 47.245 1.00 0.00 H new ATOM 0 H62 DA C 202 -6.203 -0.905 47.458 1.00 0.00 H new ATOM 0 H2 DA C 202 -6.380 3.568 44.670 1.00 0.00 H new ATOM 1868 P DG C 203 -12.413 2.244 40.452 1.00 0.00 P ATOM 1869 OP1 DG C 203 -13.324 3.078 39.636 1.00 0.00 O ATOM 1870 OP2 DG C 203 -12.110 0.856 40.037 1.00 0.00 O ATOM 1871 O5' DG C 203 -11.020 3.035 40.620 1.00 0.00 O ATOM 1872 C5' DG C 203 -10.990 4.330 41.227 1.00 0.00 C ATOM 1873 C4' DG C 203 -9.599 4.954 41.155 1.00 0.00 C ATOM 1874 O4' DG C 203 -8.656 4.094 41.795 1.00 0.00 O ATOM 1875 C3' DG C 203 -9.089 5.195 39.727 1.00 0.00 C ATOM 1876 O3' DG C 203 -8.955 6.601 39.502 1.00 0.00 O ATOM 1877 C2' DG C 203 -7.711 4.524 39.684 1.00 0.00 C ATOM 1878 C1' DG C 203 -7.402 4.272 41.152 1.00 0.00 C ATOM 1879 N9 DG C 203 -6.593 3.064 41.398 1.00 0.00 N ATOM 1880 C8 DG C 203 -6.977 1.754 41.363 1.00 0.00 C ATOM 1881 N7 DG C 203 -6.036 0.895 41.619 1.00 0.00 N ATOM 1882 C5 DG C 203 -4.923 1.700 41.848 1.00 0.00 C ATOM 1883 C6 DG C 203 -3.588 1.336 42.176 1.00 0.00 C ATOM 1884 O6 DG C 203 -3.120 0.211 42.334 1.00 0.00 O ATOM 1885 N1 DG C 203 -2.775 2.453 42.320 1.00 0.00 N ATOM 1886 C2 DG C 203 -3.191 3.758 42.170 1.00 0.00 C ATOM 1887 N2 DG C 203 -2.261 4.695 42.351 1.00 0.00 N ATOM 1888 N3 DG C 203 -4.445 4.108 41.861 1.00 0.00 N ATOM 1889 C4 DG C 203 -5.253 3.032 41.715 1.00 0.00 C ATOM 0 H5' DG C 203 -11.300 4.251 42.269 1.00 0.00 H new ATOM 0 H5'' DG C 203 -11.708 4.982 40.729 1.00 0.00 H new ATOM 0 H4' DG C 203 -9.691 5.922 41.648 1.00 0.00 H new ATOM 0 H3' DG C 203 -9.763 4.799 38.967 1.00 0.00 H new ATOM 0 H2' DG C 203 -7.732 3.596 39.112 1.00 0.00 H new ATOM 0 H2'' DG C 203 -6.964 5.168 39.220 1.00 0.00 H new ATOM 0 H1' DG C 203 -6.821 5.115 41.526 1.00 0.00 H new ATOM 0 H8 DG C 203 -7.990 1.453 41.139 1.00 0.00 H new ATOM 0 H1 DG C 203 -1.795 2.295 42.555 1.00 0.00 H new ATOM 0 H21 DG C 203 -2.505 5.681 42.254 1.00 0.00 H new ATOM 0 H22 DG C 203 -1.306 4.426 42.586 1.00 0.00 H new ATOM 1901 P DG C 204 -8.454 7.162 38.078 1.00 0.00 P ATOM 1902 OP1 DG C 204 -9.064 8.494 37.864 1.00 0.00 O ATOM 1903 OP2 DG C 204 -8.639 6.096 37.069 1.00 0.00 O ATOM 1904 O5' DG C 204 -6.874 7.364 38.314 1.00 0.00 O ATOM 1905 C5' DG C 204 -6.401 8.330 39.256 1.00 0.00 C ATOM 1906 C4' DG C 204 -4.886 8.256 39.425 1.00 0.00 C ATOM 1907 O4' DG C 204 -4.520 6.935 39.817 1.00 0.00 O ATOM 1908 C3' DG C 204 -4.090 8.583 38.153 1.00 0.00 C ATOM 1909 O3' DG C 204 -3.355 9.794 38.355 1.00 0.00 O ATOM 1910 C2' DG C 204 -3.120 7.408 37.985 1.00 0.00 C ATOM 1911 C1' DG C 204 -3.214 6.683 39.318 1.00 0.00 C ATOM 1912 N9 DG C 204 -3.045 5.222 39.226 1.00 0.00 N ATOM 1913 C8 DG C 204 -3.923 4.284 38.764 1.00 0.00 C ATOM 1914 N7 DG C 204 -3.502 3.058 38.825 1.00 0.00 N ATOM 1915 C5 DG C 204 -2.229 3.185 39.375 1.00 0.00 C ATOM 1916 C6 DG C 204 -1.270 2.185 39.686 1.00 0.00 C ATOM 1917 O6 DG C 204 -1.366 0.970 39.542 1.00 0.00 O ATOM 1918 N1 DG C 204 -0.115 2.735 40.225 1.00 0.00 N ATOM 1919 C2 DG C 204 0.094 4.081 40.442 1.00 0.00 C ATOM 1920 N2 DG C 204 1.271 4.417 40.970 1.00 0.00 N ATOM 1921 N3 DG C 204 -0.806 5.026 40.152 1.00 0.00 N ATOM 1922 C4 DG C 204 -1.939 4.508 39.624 1.00 0.00 C ATOM 0 H5' DG C 204 -6.883 8.166 40.220 1.00 0.00 H new ATOM 0 H5'' DG C 204 -6.682 9.330 38.925 1.00 0.00 H new ATOM 0 H4' DG C 204 -4.640 9.007 40.175 1.00 0.00 H new ATOM 0 H3' DG C 204 -4.728 8.718 37.280 1.00 0.00 H new ATOM 0 H2' DG C 204 -3.409 6.763 37.155 1.00 0.00 H new ATOM 0 H2'' DG C 204 -2.105 7.750 37.784 1.00 0.00 H new ATOM 0 H1' DG C 204 -2.409 7.048 39.955 1.00 0.00 H new ATOM 0 H8 DG C 204 -4.897 4.543 38.376 1.00 0.00 H new ATOM 0 H1 DG C 204 0.637 2.095 40.480 1.00 0.00 H new ATOM 0 H21 DG C 204 1.486 5.397 41.154 1.00 0.00 H new ATOM 0 H22 DG C 204 1.956 3.694 41.190 1.00 0.00 H new ATOM 1934 P DC C 205 -2.628 10.529 37.121 1.00 0.00 P ATOM 1935 OP1 DC C 205 -2.400 11.943 37.493 1.00 0.00 O ATOM 1936 OP2 DC C 205 -3.374 10.204 35.884 1.00 0.00 O ATOM 1937 O5' DC C 205 -1.201 9.788 37.057 1.00 0.00 O ATOM 1938 C5' DC C 205 -0.220 10.011 38.073 1.00 0.00 C ATOM 1939 C4' DC C 205 1.046 9.199 37.816 1.00 0.00 C ATOM 1940 O4' DC C 205 0.726 7.804 37.839 1.00 0.00 O ATOM 1941 C3' DC C 205 1.717 9.492 36.466 1.00 0.00 C ATOM 1942 O3' DC C 205 3.068 9.907 36.686 1.00 0.00 O ATOM 1943 C2' DC C 205 1.697 8.153 35.727 1.00 0.00 C ATOM 1944 C1' DC C 205 1.511 7.149 36.850 1.00 0.00 C ATOM 1945 N1 DC C 205 0.790 5.921 36.451 1.00 0.00 N ATOM 1946 C2 DC C 205 1.466 4.713 36.544 1.00 0.00 C ATOM 1947 O2 DC C 205 2.627 4.687 36.947 1.00 0.00 O ATOM 1948 N3 DC C 205 0.811 3.578 36.181 1.00 0.00 N ATOM 1949 C4 DC C 205 -0.454 3.623 35.742 1.00 0.00 C ATOM 1950 N4 DC C 205 -1.064 2.491 35.393 1.00 0.00 N ATOM 1951 C5 DC C 205 -1.155 4.867 35.643 1.00 0.00 C ATOM 1952 C6 DC C 205 -0.499 5.985 36.008 1.00 0.00 C ATOM 0 H5' DC C 205 -0.634 9.743 39.045 1.00 0.00 H new ATOM 0 H5'' DC C 205 0.029 11.071 38.114 1.00 0.00 H new ATOM 0 H4' DC C 205 1.744 9.484 38.603 1.00 0.00 H new ATOM 0 H3' DC C 205 1.214 10.281 35.907 1.00 0.00 H new ATOM 0 H2' DC C 205 0.884 8.104 35.002 1.00 0.00 H new ATOM 0 H2'' DC C 205 2.623 7.980 35.179 1.00 0.00 H new ATOM 0 H1' DC C 205 2.498 6.835 37.189 1.00 0.00 H new ATOM 0 H41 DC C 205 -2.027 2.513 35.057 1.00 0.00 H new ATOM 0 H42 DC C 205 -0.568 1.602 35.461 1.00 0.00 H new ATOM 0 H5 DC C 205 -2.174 4.908 35.288 1.00 0.00 H new ATOM 0 H6 DC C 205 -0.998 6.941 35.950 1.00 0.00 H new ATOM 1964 P DA C 206 3.948 10.503 35.476 1.00 0.00 P ATOM 1965 OP1 DA C 206 5.007 11.361 36.053 1.00 0.00 O ATOM 1966 OP2 DA C 206 3.024 11.054 34.460 1.00 0.00 O ATOM 1967 O5' DA C 206 4.644 9.188 34.863 1.00 0.00 O ATOM 1968 C5' DA C 206 5.742 8.567 35.536 1.00 0.00 C ATOM 1969 C4' DA C 206 6.180 7.287 34.833 1.00 0.00 C ATOM 1970 O4' DA C 206 5.099 6.348 34.844 1.00 0.00 O ATOM 1971 C3' DA C 206 6.597 7.483 33.368 1.00 0.00 C ATOM 1972 O3' DA C 206 7.941 7.024 33.197 1.00 0.00 O ATOM 1973 C2' DA C 206 5.634 6.603 32.568 1.00 0.00 C ATOM 1974 C1' DA C 206 5.117 5.633 33.616 1.00 0.00 C ATOM 1975 N9 DA C 206 3.747 5.142 33.369 1.00 0.00 N ATOM 1976 C8 DA C 206 2.602 5.857 33.160 1.00 0.00 C ATOM 1977 N7 DA C 206 1.527 5.143 33.008 1.00 0.00 N ATOM 1978 C5 DA C 206 1.999 3.836 33.124 1.00 0.00 C ATOM 1979 C6 DA C 206 1.364 2.590 33.061 1.00 0.00 C ATOM 1980 N6 DA C 206 0.054 2.446 32.858 1.00 0.00 N ATOM 1981 N1 DA C 206 2.130 1.498 33.217 1.00 0.00 N ATOM 1982 C2 DA C 206 3.441 1.619 33.421 1.00 0.00 C ATOM 1983 N3 DA C 206 4.141 2.747 33.500 1.00 0.00 N ATOM 1984 C4 DA C 206 3.348 3.826 33.342 1.00 0.00 C ATOM 0 H5' DA C 206 5.458 8.340 36.563 1.00 0.00 H new ATOM 0 H5'' DA C 206 6.580 9.262 35.583 1.00 0.00 H new ATOM 0 H4' DA C 206 7.053 6.934 35.382 1.00 0.00 H new ATOM 0 H3' DA C 206 6.558 8.525 33.051 1.00 0.00 H new ATOM 0 H2' DA C 206 4.827 7.186 32.123 1.00 0.00 H new ATOM 0 H2'' DA C 206 6.140 6.086 31.753 1.00 0.00 H new ATOM 0 H1' DA C 206 5.766 4.758 33.609 1.00 0.00 H new ATOM 0 H8 DA C 206 2.591 6.936 33.124 1.00 0.00 H new ATOM 0 H61 DA C 206 -0.357 1.513 32.821 1.00 0.00 H new ATOM 0 H62 DA C 206 -0.537 3.269 32.740 1.00 0.00 H new ATOM 0 H2 DA C 206 3.996 0.700 33.535 1.00 0.00 H new ATOM 1996 P DG C 207 8.638 7.041 31.746 1.00 0.00 P ATOM 1997 OP1 DG C 207 10.088 7.271 31.930 1.00 0.00 O ATOM 1998 OP2 DG C 207 7.854 7.935 30.865 1.00 0.00 O ATOM 1999 O5' DG C 207 8.428 5.527 31.242 1.00 0.00 O ATOM 2000 C5' DG C 207 9.110 4.449 31.890 1.00 0.00 C ATOM 2001 C4' DG C 207 8.748 3.103 31.268 1.00 0.00 C ATOM 2002 O4' DG C 207 7.347 2.867 31.424 1.00 0.00 O ATOM 2003 C3' DG C 207 9.060 2.997 29.769 1.00 0.00 C ATOM 2004 O3' DG C 207 10.036 1.974 29.560 1.00 0.00 O ATOM 2005 C2' DG C 207 7.730 2.592 29.123 1.00 0.00 C ATOM 2006 C1' DG C 207 6.913 2.103 30.307 1.00 0.00 C ATOM 2007 N9 DG C 207 5.459 2.295 30.164 1.00 0.00 N ATOM 2008 C8 DG C 207 4.748 3.456 30.066 1.00 0.00 C ATOM 2009 N7 DG C 207 3.462 3.306 29.954 1.00 0.00 N ATOM 2010 C5 DG C 207 3.298 1.923 29.983 1.00 0.00 C ATOM 2011 C6 DG C 207 2.112 1.147 29.903 1.00 0.00 C ATOM 2012 O6 DG C 207 0.954 1.536 29.786 1.00 0.00 O ATOM 2013 N1 DG C 207 2.388 -0.213 29.974 1.00 0.00 N ATOM 2014 C2 DG C 207 3.648 -0.761 30.101 1.00 0.00 C ATOM 2015 N2 DG C 207 3.712 -2.092 30.150 1.00 0.00 N ATOM 2016 N3 DG C 207 4.766 -0.033 30.176 1.00 0.00 N ATOM 2017 C4 DG C 207 4.517 1.296 30.110 1.00 0.00 C ATOM 0 H5' DG C 207 8.856 4.441 32.950 1.00 0.00 H new ATOM 0 H5'' DG C 207 10.187 4.605 31.821 1.00 0.00 H new ATOM 0 H4' DG C 207 9.361 2.368 31.790 1.00 0.00 H new ATOM 0 H3' DG C 207 9.455 3.924 29.353 1.00 0.00 H new ATOM 0 H2' DG C 207 7.251 3.433 28.622 1.00 0.00 H new ATOM 0 H2'' DG C 207 7.865 1.811 28.375 1.00 0.00 H new ATOM 0 H1' DG C 207 7.069 1.029 30.405 1.00 0.00 H new ATOM 0 H8 DG C 207 5.219 4.428 30.080 1.00 0.00 H new ATOM 0 H1 DG C 207 1.598 -0.856 29.929 1.00 0.00 H new ATOM 0 H21 DG C 207 4.616 -2.556 30.243 1.00 0.00 H new ATOM 0 H22 DG C 207 2.857 -2.646 30.094 1.00 0.00 H new ATOM 2029 P DT C 208 10.572 1.639 28.078 1.00 0.00 P ATOM 2030 OP1 DT C 208 11.958 1.130 28.190 1.00 0.00 O ATOM 2031 OP2 DT C 208 10.280 2.799 27.207 1.00 0.00 O ATOM 2032 O5' DT C 208 9.623 0.419 27.629 1.00 0.00 O ATOM 2033 C5' DT C 208 9.697 -0.840 28.302 1.00 0.00 C ATOM 2034 C4' DT C 208 8.700 -1.842 27.729 1.00 0.00 C ATOM 2035 O4' DT C 208 7.371 -1.346 27.906 1.00 0.00 O ATOM 2036 C3' DT C 208 8.880 -2.126 26.231 1.00 0.00 C ATOM 2037 O3' DT C 208 9.189 -3.511 26.054 1.00 0.00 O ATOM 2038 C2' DT C 208 7.517 -1.805 25.605 1.00 0.00 C ATOM 2039 C1' DT C 208 6.587 -1.795 26.810 1.00 0.00 C ATOM 2040 N1 DT C 208 5.421 -0.887 26.696 1.00 0.00 N ATOM 2041 C2 DT C 208 4.163 -1.437 26.881 1.00 0.00 C ATOM 2042 O2 DT C 208 4.001 -2.633 27.109 1.00 0.00 O ATOM 2043 N3 DT C 208 3.096 -0.560 26.796 1.00 0.00 N ATOM 2044 C4 DT C 208 3.179 0.802 26.560 1.00 0.00 C ATOM 2045 O4 DT C 208 2.166 1.494 26.516 1.00 0.00 O ATOM 2046 C5 DT C 208 4.529 1.286 26.380 1.00 0.00 C ATOM 2047 C7 DT C 208 4.765 2.771 26.115 1.00 0.00 C ATOM 2048 C6 DT C 208 5.586 0.451 26.442 1.00 0.00 C ATOM 0 H5' DT C 208 9.501 -0.697 29.365 1.00 0.00 H new ATOM 0 H5'' DT C 208 10.707 -1.241 28.216 1.00 0.00 H new ATOM 0 H4' DT C 208 8.880 -2.771 28.269 1.00 0.00 H new ATOM 0 H3' DT C 208 9.683 -1.542 25.780 1.00 0.00 H new ATOM 0 H2' DT C 208 7.524 -0.844 25.091 1.00 0.00 H new ATOM 0 H2'' DT C 208 7.222 -2.556 24.872 1.00 0.00 H new ATOM 0 H1' DT C 208 6.177 -2.799 26.916 1.00 0.00 H new ATOM 0 H3 DT C 208 2.163 -0.953 26.918 1.00 0.00 H new ATOM 0 H71 DT C 208 5.735 3.063 26.517 1.00 0.00 H new ATOM 0 H72 DT C 208 4.747 2.956 25.041 1.00 0.00 H new ATOM 0 H73 DT C 208 3.982 3.356 26.597 1.00 0.00 H new ATOM 0 H6 DT C 208 6.581 0.843 26.289 1.00 0.00 H new ATOM 2061 P DG C 209 9.405 -4.126 24.583 1.00 0.00 P ATOM 2062 OP1 DG C 209 10.361 -5.252 24.686 1.00 0.00 O ATOM 2063 OP2 DG C 209 9.676 -3.011 23.653 1.00 0.00 O ATOM 2064 O5' DG C 209 7.951 -4.728 24.243 1.00 0.00 O ATOM 2065 C5' DG C 209 7.363 -5.711 25.099 1.00 0.00 C ATOM 2066 C4' DG C 209 5.911 -5.989 24.727 1.00 0.00 C ATOM 2067 O4' DG C 209 5.168 -4.768 24.756 1.00 0.00 O ATOM 2068 C3' DG C 209 5.718 -6.600 23.333 1.00 0.00 C ATOM 2069 O3' DG C 209 5.111 -7.887 23.462 1.00 0.00 O ATOM 2070 C2' DG C 209 4.764 -5.638 22.617 1.00 0.00 C ATOM 2071 C1' DG C 209 4.151 -4.862 23.769 1.00 0.00 C ATOM 2072 N9 DG C 209 3.717 -3.492 23.430 1.00 0.00 N ATOM 2073 C8 DG C 209 4.453 -2.443 22.955 1.00 0.00 C ATOM 2074 N7 DG C 209 3.786 -1.345 22.759 1.00 0.00 N ATOM 2075 C5 DG C 209 2.489 -1.687 23.128 1.00 0.00 C ATOM 2076 C6 DG C 209 1.305 -0.898 23.129 1.00 0.00 C ATOM 2077 O6 DG C 209 1.170 0.273 22.786 1.00 0.00 O ATOM 2078 N1 DG C 209 0.211 -1.628 23.575 1.00 0.00 N ATOM 2079 C2 DG C 209 0.248 -2.946 23.972 1.00 0.00 C ATOM 2080 N2 DG C 209 -0.914 -3.470 24.365 1.00 0.00 N ATOM 2081 N3 DG C 209 1.357 -3.691 23.974 1.00 0.00 N ATOM 2082 C4 DG C 209 2.437 -2.999 23.542 1.00 0.00 C ATOM 0 H5' DG C 209 7.415 -5.370 26.133 1.00 0.00 H new ATOM 0 H5'' DG C 209 7.937 -6.636 25.039 1.00 0.00 H new ATOM 0 H4' DG C 209 5.562 -6.716 25.461 1.00 0.00 H new ATOM 0 H3' DG C 209 6.656 -6.727 22.792 1.00 0.00 H new ATOM 0 H2' DG C 209 5.293 -4.984 21.923 1.00 0.00 H new ATOM 0 H2'' DG C 209 4.009 -6.171 22.040 1.00 0.00 H new ATOM 0 H1' DG C 209 3.251 -5.388 24.089 1.00 0.00 H new ATOM 0 H8 DG C 209 5.512 -2.521 22.757 1.00 0.00 H new ATOM 0 H1 DG C 209 -0.690 -1.151 23.611 1.00 0.00 H new ATOM 0 H21 DG C 209 -0.957 -4.442 24.672 1.00 0.00 H new ATOM 0 H22 DG C 209 -1.759 -2.899 24.359 1.00 0.00 H new ATOM 2094 P DA C 210 4.840 -8.799 22.164 1.00 0.00 P ATOM 2095 OP1 DA C 210 4.908 -10.220 22.572 1.00 0.00 O ATOM 2096 OP2 DA C 210 5.697 -8.305 21.062 1.00 0.00 O ATOM 2097 O5' DA C 210 3.312 -8.449 21.809 1.00 0.00 O ATOM 2098 C5' DA C 210 2.255 -8.868 22.674 1.00 0.00 C ATOM 2099 C4' DA C 210 0.895 -8.431 22.140 1.00 0.00 C ATOM 2100 O4' DA C 210 0.838 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1.00 0.00 H new ATOM 0 H2' DA C 210 1.498 -7.470 19.375 1.00 0.00 H new ATOM 0 H2'' DA C 210 -0.214 -7.722 19.095 1.00 0.00 H new ATOM 0 H1' DA C 210 -0.863 -6.495 20.952 1.00 0.00 H new ATOM 0 H8 DA C 210 2.810 -5.612 20.085 1.00 0.00 H new ATOM 0 H61 DA C 210 0.741 0.197 19.782 1.00 0.00 H new ATOM 0 H62 DA C 210 2.143 -0.859 19.581 1.00 0.00 H new ATOM 0 H2 DA C 210 -2.676 -2.441 21.026 1.00 0.00 H new ATOM 2126 P DT C 211 -1.238 -10.253 19.357 1.00 0.00 P ATOM 2127 OP1 DT C 211 -2.153 -11.355 19.731 1.00 0.00 O ATOM 2128 OP2 DT C 211 -0.090 -10.519 18.461 1.00 0.00 O ATOM 2129 O5' DT C 211 -2.114 -9.066 18.716 1.00 0.00 O ATOM 2130 C5' DT C 211 -3.322 -8.640 19.348 1.00 0.00 C ATOM 2131 C4' DT C 211 -3.891 -7.391 18.688 1.00 0.00 C ATOM 2132 O4' DT C 211 -2.989 -6.303 18.854 1.00 0.00 O ATOM 2133 C3' DT C 211 -4.127 -7.524 17.181 1.00 0.00 C ATOM 2134 O3' DT C 211 -5.525 -7.699 16.936 1.00 0.00 O ATOM 2135 C2' DT C 211 -3.650 -6.187 16.596 1.00 0.00 C ATOM 2136 C1' DT C 211 -3.288 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P DT C 213 -8.557 -3.716 10.986 1.00 0.00 P ATOM 2191 OP1 DT C 213 -10.035 -3.765 10.946 1.00 0.00 O ATOM 2192 OP2 DT C 213 -7.764 -4.707 10.223 1.00 0.00 O ATOM 2193 O5' DT C 213 -8.088 -2.244 10.540 1.00 0.00 O ATOM 2194 C5' DT C 213 -8.591 -1.089 11.218 1.00 0.00 C ATOM 2195 C4' DT C 213 -7.789 0.158 10.863 1.00 0.00 C ATOM 2196 O4' DT C 213 -6.409 -0.088 11.126 1.00 0.00 O ATOM 2197 C3' DT C 213 -7.902 0.583 9.393 1.00 0.00 C ATOM 2198 O3' DT C 213 -8.511 1.876 9.321 1.00 0.00 O ATOM 2199 C2' DT C 213 -6.457 0.659 8.891 1.00 0.00 C ATOM 2200 C1' DT C 213 -5.640 0.636 10.175 1.00 0.00 C ATOM 2201 N1 DT C 213 -4.331 -0.045 10.057 1.00 0.00 N ATOM 2202 C2 DT C 213 -3.199 0.678 10.393 1.00 0.00 C ATOM 2203 O2 DT C 213 -3.254 1.850 10.755 1.00 0.00 O ATOM 2204 N3 DT C 213 -1.996 0.004 10.300 1.00 0.00 N ATOM 2205 C4 DT C 213 -1.827 -1.310 9.907 1.00 0.00 C ATOM 2206 O4 DT C 213 -0.709 -1.817 9.872 1.00 0.00 O ATOM 2207 C5 DT C 213 -3.060 -1.986 9.572 1.00 0.00 C ATOM 2208 C7 DT C 213 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0 H4' DA C 214 -5.992 5.994 7.270 1.00 0.00 H new ATOM 0 H3' DA C 214 -7.336 4.861 5.095 1.00 0.00 H new ATOM 0 H2' DA C 214 -5.967 2.888 4.871 1.00 0.00 H new ATOM 0 H2'' DA C 214 -4.971 4.022 3.979 1.00 0.00 H new ATOM 0 H1' DA C 214 -3.559 4.447 5.781 1.00 0.00 H new ATOM 0 H8 DA C 214 -5.433 1.096 6.259 1.00 0.00 H new ATOM 0 H61 DA C 214 0.216 -1.300 6.939 1.00 0.00 H new ATOM 0 H62 DA C 214 -1.512 -1.656 6.839 1.00 0.00 H new ATOM 0 H2 DA C 214 0.631 3.150 6.489 1.00 0.00 H new ATOM 2254 P DT C 215 -5.851 6.504 3.314 1.00 0.00 P ATOM 2255 OP1 DT C 215 -5.905 7.970 3.115 1.00 0.00 O ATOM 2256 OP2 DT C 215 -6.889 5.639 2.706 1.00 0.00 O ATOM 2257 O5' DT C 215 -4.410 5.981 2.823 1.00 0.00 O ATOM 2258 C5' DT C 215 -3.223 6.706 3.156 1.00 0.00 C ATOM 2259 C4' DT C 215 -1.967 5.975 2.690 1.00 0.00 C ATOM 2260 O4' DT C 215 -1.883 4.707 3.342 1.00 0.00 O ATOM 2261 C3' DT C 215 -1.919 5.699 1.179 1.00 0.00 C ATOM 2262 O3' DT C 215 -0.856 6.458 0.591 1.00 0.00 O ATOM 2263 C2' DT C 215 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new ATOM 0 H71 DT C 215 -5.160 1.030 3.284 1.00 0.00 H new ATOM 0 H72 DT C 215 -4.673 -0.215 2.111 1.00 0.00 H new ATOM 0 H73 DT C 215 -4.642 -0.574 3.854 1.00 0.00 H new ATOM 0 H6 DT C 215 -3.554 2.615 2.507 1.00 0.00 H new ATOM 2286 P DG C 216 -0.710 6.555 -1.011 1.00 0.00 P ATOM 2287 OP1 DG C 216 0.114 7.742 -1.328 1.00 0.00 O ATOM 2288 OP2 DG C 216 -2.057 6.412 -1.608 1.00 0.00 O ATOM 2289 O5' DG C 216 0.144 5.238 -1.373 1.00 0.00 O ATOM 2290 C5' DG C 216 1.551 5.194 -1.120 1.00 0.00 C ATOM 2291 C4' DG C 216 2.167 3.877 -1.585 1.00 0.00 C ATOM 2292 O4' DG C 216 1.633 2.797 -0.801 1.00 0.00 O ATOM 2293 C3' DG C 216 1.902 3.543 -3.061 1.00 0.00 C ATOM 2294 O3' DG C 216 3.087 3.075 -3.711 1.00 0.00 O ATOM 2295 C2' DG C 216 0.845 2.450 -2.981 1.00 0.00 C ATOM 2296 C1' DG C 216 1.224 1.759 -1.686 1.00 0.00 C ATOM 2297 N9 DG C 216 0.125 1.013 -1.042 1.00 0.00 N ATOM 2298 C8 DG C 216 -1.166 1.399 -0.818 1.00 0.00 C ATOM 2299 N7 DG C 216 -1.910 0.520 -0.216 1.00 0.00 N ATOM 2300 C5 DG C 216 -1.039 -0.551 -0.018 1.00 0.00 C ATOM 2301 C6 DG C 216 -1.272 -1.812 0.596 1.00 0.00 C ATOM 2302 O6 DG C 216 -2.311 -2.239 1.093 1.00 0.00 O ATOM 2303 N1 DG C 216 -0.129 -2.600 0.589 1.00 0.00 N ATOM 2304 C2 DG C 216 1.089 -2.226 0.060 1.00 0.00 C ATOM 2305 N2 DG C 216 2.071 -3.122 0.150 1.00 0.00 N ATOM 2306 N3 DG C 216 1.313 -1.041 -0.516 1.00 0.00 N ATOM 2307 C4 DG C 216 0.208 -0.257 -0.521 1.00 0.00 C ATOM 0 H5' DG C 216 1.733 5.324 -0.053 1.00 0.00 H new ATOM 0 H5'' DG C 216 2.039 6.024 -1.631 1.00 0.00 H new ATOM 0 H4' DG C 216 3.243 3.997 -1.459 1.00 0.00 H new ATOM 0 H3' DG C 216 1.582 4.407 -3.644 1.00 0.00 H new ATOM 0 H2' DG C 216 -0.165 2.858 -2.948 1.00 0.00 H new ATOM 0 H2'' DG C 216 0.888 1.774 -3.835 1.00 0.00 H new ATOM 0 HO3' DG C 216 2.887 2.869 -4.648 1.00 0.00 H new ATOM 0 H1' DG C 216 1.994 1.020 -1.907 1.00 0.00 H new ATOM 0 H8 DG C 216 -1.542 2.366 -1.120 1.00 0.00 H new ATOM 0 H1 DG C 216 -0.195 -3.528 1.008 1.00 0.00 H new ATOM 0 H21 DG C 216 2.995 -2.905 -0.223 1.00 0.00 H new ATOM 0 H22 DG C 216 1.898 -4.025 0.592 1.00 0.00 H new TER 2320 DG C 216 HETATM 2321 ZN ZN A 83 -16.673 -1.151 28.233 1.00 0.59 ZN HETATM 2322 ZN ZN A 84 0.803 15.960 16.260 1.00 0.69 ZN HETATM 2323 ZN ZN A 85 15.963 -4.085 10.409 1.00 0.68 ZN