USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=33 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: A 71 SER OG : rot 159:sc= 0.987 USER MOD Set 1.2: C 211 DT C7 :methyl -30:sc= -1.25 (180deg=0) USER MOD Set 1.3: C 212 DT C7 :methyl 150:sc= -0.0112 (180deg=0) USER MOD Set 2.1: A 47 LYS NZ :NH3+ -115:sc= -2.72 (180deg=-3.13!) USER MOD Set 2.2: A 69 GLN : amide:sc= 0.557 K(o=-2.3,f=-8.4!) USER MOD Set 2.3: B 107 DT C7 :methyl 150:sc= -0.16 (180deg=0) USER MOD Set 3.1: A 58 HIS : no HD1:sc= -0.501 X(o=0.13,f=0.49) USER MOD Set 3.2: A 70 SER OG : rot -150:sc= 0.636 USER MOD Set 4.1: A 43 SER OG : rot 65:sc= 0.00201 USER MOD Set 4.2: C 208 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Set 5.1: A 40 HIS : no HD1:sc= -3.93! C(o=-4.5!,f=-4.2!) USER MOD Set 5.2: A 41 GLN : amide:sc= -0.609 K(o=-4.5,f=-8.8!) USER MOD Single : A 1 SER N :NH3+ -112:sc= 0.0811 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 164:sc= 1.17 (180deg=0.398) USER MOD Single : A 9 LYS NZ :NH3+ -156:sc= 1.41 (180deg=1.31) 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 -85:sc= 0.917 USER MOD Single : A 15 SER OG : rot 112:sc= 1.74 USER MOD Single : A 16 THR OG1 : rot -71:sc= -3.85! USER MOD Single : A 18 SER OG : rot 47:sc= 0.356 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 -150:sc= -0.636 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -1.51! K(o=-1.5!,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -160:sc=-0.00544 (180deg=-0.644) USER MOD Single : A 42 LYS NZ :NH3+ -172:sc= -1.51 (180deg=-1.59) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -14:sc= -3.05! USER MOD Single : A 53 THR OG1 : rot -4:sc= -2.01! USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -1.6! X(o=-1.6!,f=-1.3) USER MOD Single : A 65 LYS NZ :NH3+ -136:sc= 0.0759 (180deg=-0.263) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.807 K(o=0.81,f=-5.2!) USER MOD Single : A 75 THR OG1 : rot 82:sc= 0.244 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0563) USER MOD Single : A 81 THR OG1 : rot -80:sc= 0.598 USER MOD Single : B 101 DC O5' : rot 180:sc= -0.32 USER MOD Single : B 103 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 111 DT C7 :methyl 150:sc= -0.135 (180deg=-0.135) 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 29:sc= 0.00167 USER MOD Single : C 213 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 215 DT C7 :methyl 150:sc= -0.123 (180deg=-0.123) USER MOD Single : C 216 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -12.119 -9.542 39.469 1.00 1.16 N ATOM 2 CA SER A 1 -11.681 -8.662 38.347 1.00 1.02 C ATOM 3 C SER A 1 -12.667 -7.504 38.162 1.00 0.96 C ATOM 4 O SER A 1 -13.798 -7.555 38.609 1.00 1.03 O ATOM 5 CB SER A 1 -11.615 -9.480 37.057 1.00 1.12 C ATOM 6 OG SER A 1 -12.917 -9.944 36.728 1.00 0.94 O ATOM 0 H1 SER A 1 -11.447 -9.459 40.258 1.00 1.16 H new ATOM 0 H2 SER A 1 -13.065 -9.252 39.788 1.00 1.16 H new ATOM 0 H3 SER A 1 -12.151 -10.529 39.144 1.00 1.16 H new ATOM 0 HA SER A 1 -10.697 -8.256 38.581 1.00 1.02 H new ATOM 0 HB2 SER A 1 -11.218 -8.870 36.246 1.00 1.12 H new ATOM 0 HB3 SER A 1 -10.937 -10.324 37.182 1.00 1.12 H new ATOM 0 HG SER A 1 -12.878 -10.467 35.900 1.00 0.94 H new ATOM 14 N PHE A 2 -12.239 -6.464 37.493 1.00 0.88 N ATOM 15 CA PHE A 2 -13.126 -5.284 37.248 1.00 0.83 C ATOM 16 C PHE A 2 -13.805 -5.452 35.871 1.00 0.80 C ATOM 17 O PHE A 2 -13.157 -5.732 34.884 1.00 0.75 O ATOM 18 CB PHE A 2 -12.261 -4.019 37.280 1.00 0.76 C ATOM 19 CG PHE A 2 -11.182 -4.187 38.327 1.00 0.77 C ATOM 20 CD1 PHE A 2 -11.446 -3.874 39.665 1.00 0.73 C ATOM 21 CD2 PHE A 2 -9.924 -4.679 37.963 1.00 0.85 C ATOM 22 CE1 PHE A 2 -10.451 -4.048 40.637 1.00 0.76 C ATOM 23 CE2 PHE A 2 -8.934 -4.859 38.932 1.00 0.87 C ATOM 24 CZ PHE A 2 -9.195 -4.542 40.270 1.00 0.83 C ATOM 0 H PHE A 2 -11.301 -6.380 37.101 1.00 0.88 H new ATOM 0 HA PHE A 2 -13.900 -5.206 38.011 1.00 0.83 H new ATOM 0 HB2 PHE A 2 -11.813 -3.845 36.302 1.00 0.76 H new ATOM 0 HB3 PHE A 2 -12.875 -3.148 37.509 1.00 0.76 H new ATOM 0 HD1 PHE A 2 -12.418 -3.498 39.949 1.00 0.73 H new ATOM 0 HD2 PHE A 2 -9.718 -4.920 36.931 1.00 0.85 H new ATOM 0 HE1 PHE A 2 -10.654 -3.801 41.669 1.00 0.76 H new ATOM 0 HE2 PHE A 2 -7.965 -5.243 38.648 1.00 0.87 H new ATOM 0 HZ PHE A 2 -8.428 -4.679 41.018 1.00 0.83 H new ATOM 34 N ASP A 3 -15.121 -5.358 35.817 1.00 0.83 N ATOM 35 CA ASP A 3 -15.840 -5.591 34.508 1.00 0.80 C ATOM 36 C ASP A 3 -16.580 -4.342 33.981 1.00 0.77 C ATOM 37 O ASP A 3 -17.572 -3.888 34.519 1.00 0.82 O ATOM 38 CB ASP A 3 -16.817 -6.754 34.672 1.00 0.88 C ATOM 39 CG ASP A 3 -17.891 -6.385 35.692 1.00 1.06 C ATOM 40 OD1 ASP A 3 -18.887 -5.810 35.290 1.00 1.17 O ATOM 41 OD2 ASP A 3 -17.698 -6.688 36.858 1.00 1.78 O ATOM 0 H ASP A 3 -15.722 -5.133 36.610 1.00 0.83 H new ATOM 0 HA ASP A 3 -15.081 -5.829 33.762 1.00 0.80 H new ATOM 0 HB2 ASP A 3 -17.279 -6.991 33.714 1.00 0.88 H new ATOM 0 HB3 ASP A 3 -16.283 -7.646 34.999 1.00 0.88 H new ATOM 46 N CYS A 4 -16.071 -3.834 32.888 1.00 0.72 N ATOM 47 CA CYS A 4 -16.660 -2.625 32.214 1.00 0.71 C ATOM 48 C CYS A 4 -18.185 -2.758 32.050 1.00 0.79 C ATOM 49 O CYS A 4 -18.693 -3.774 31.620 1.00 0.82 O ATOM 50 CB CYS A 4 -16.054 -2.448 30.821 1.00 0.64 C ATOM 51 SG CYS A 4 -17.269 -1.643 29.738 1.00 0.65 S ATOM 0 H CYS A 4 -15.249 -4.214 32.418 1.00 0.72 H new ATOM 0 HA CYS A 4 -16.435 -1.766 32.846 1.00 0.71 H new ATOM 0 HB2 CYS A 4 -15.147 -1.846 30.880 1.00 0.64 H new ATOM 0 HB3 CYS A 4 -15.768 -3.416 30.410 1.00 0.64 H new ATOM 56 N LYS A 5 -18.907 -1.739 32.430 1.00 0.85 N ATOM 57 CA LYS A 5 -20.400 -1.782 32.333 1.00 0.94 C ATOM 58 C LYS A 5 -20.907 -1.242 30.980 1.00 0.93 C ATOM 59 O LYS A 5 -22.018 -1.527 30.584 1.00 1.01 O ATOM 60 CB LYS A 5 -20.990 -0.943 33.472 1.00 1.01 C ATOM 61 CG LYS A 5 -20.725 -1.643 34.817 1.00 1.10 C ATOM 62 CD LYS A 5 -19.543 -0.978 35.525 1.00 1.16 C ATOM 63 CE LYS A 5 -19.300 -1.668 36.869 1.00 1.81 C ATOM 64 NZ LYS A 5 -18.925 -3.092 36.637 1.00 2.42 N ATOM 0 H LYS A 5 -18.526 -0.871 32.807 1.00 0.85 H new ATOM 0 HA LYS A 5 -20.719 -2.821 32.411 1.00 0.94 H new ATOM 0 HB2 LYS A 5 -20.544 0.052 33.474 1.00 1.01 H new ATOM 0 HB3 LYS A 5 -22.062 -0.812 33.323 1.00 1.01 H new ATOM 0 HG2 LYS A 5 -21.614 -1.590 35.446 1.00 1.10 H new ATOM 0 HG3 LYS A 5 -20.514 -2.700 34.652 1.00 1.10 H new ATOM 0 HD2 LYS A 5 -18.650 -1.043 34.904 1.00 1.16 H new ATOM 0 HD3 LYS A 5 -19.747 0.081 35.680 1.00 1.16 H new ATOM 0 HE2 LYS A 5 -18.507 -1.156 37.414 1.00 1.81 H new ATOM 0 HE3 LYS A 5 -20.197 -1.613 37.485 1.00 1.81 H new ATOM 0 HZ1 LYS A 5 -18.502 -3.485 37.502 1.00 2.42 H new ATOM 0 HZ2 LYS A 5 -19.774 -3.638 36.387 1.00 2.42 H new ATOM 0 HZ3 LYS A 5 -18.237 -3.147 35.859 1.00 2.42 H new ATOM 78 N ILE A 6 -20.144 -0.434 30.283 1.00 0.85 N ATOM 79 CA ILE A 6 -20.641 0.129 29.003 1.00 0.86 C ATOM 80 C ILE A 6 -20.628 -0.920 27.886 1.00 0.84 C ATOM 81 O ILE A 6 -21.667 -1.340 27.416 1.00 0.91 O ATOM 82 CB ILE A 6 -19.757 1.307 28.614 1.00 0.81 C ATOM 83 CG1 ILE A 6 -19.922 2.446 29.626 1.00 0.86 C ATOM 84 CG2 ILE A 6 -20.161 1.813 27.225 1.00 0.87 C ATOM 85 CD1 ILE A 6 -19.777 1.951 31.068 1.00 0.82 C ATOM 0 H ILE A 6 -19.203 -0.145 30.550 1.00 0.85 H new ATOM 0 HA ILE A 6 -21.673 0.454 29.139 1.00 0.86 H new ATOM 0 HB ILE A 6 -18.718 0.979 28.604 1.00 0.81 H new ATOM 0 HG12 ILE A 6 -19.177 3.217 29.430 1.00 0.86 H new ATOM 0 HG13 ILE A 6 -20.901 2.908 29.497 1.00 0.86 H new ATOM 0 HG21 ILE A 6 -19.528 2.656 26.947 1.00 0.87 H new ATOM 0 HG22 ILE A 6 -20.039 1.012 26.496 1.00 0.87 H new ATOM 0 HG23 ILE A 6 -21.203 2.132 27.243 1.00 0.87 H new ATOM 0 HD11 ILE A 6 -19.901 2.789 31.754 1.00 0.82 H new ATOM 0 HD12 ILE A 6 -20.539 1.199 31.273 1.00 0.82 H new ATOM 0 HD13 ILE A 6 -18.788 1.513 31.205 1.00 0.82 H new ATOM 97 N CYS A 7 -19.471 -1.333 27.429 1.00 0.76 N ATOM 98 CA CYS A 7 -19.449 -2.337 26.316 1.00 0.75 C ATOM 99 C CYS A 7 -19.388 -3.759 26.892 1.00 0.78 C ATOM 100 O CYS A 7 -19.765 -4.716 26.243 1.00 0.87 O ATOM 101 CB CYS A 7 -18.289 -2.056 25.350 1.00 0.66 C ATOM 102 SG CYS A 7 -16.694 -2.454 26.098 1.00 0.60 S ATOM 0 H CYS A 7 -18.559 -1.028 27.768 1.00 0.76 H new ATOM 0 HA CYS A 7 -20.370 -2.250 25.740 1.00 0.75 H new ATOM 0 HB2 CYS A 7 -18.422 -2.642 24.440 1.00 0.66 H new ATOM 0 HB3 CYS A 7 -18.303 -1.006 25.058 1.00 0.66 H new ATOM 107 N GLY A 8 -18.992 -3.899 28.134 1.00 0.79 N ATOM 108 CA GLY A 8 -19.005 -5.256 28.778 1.00 0.83 C ATOM 109 C GLY A 8 -17.697 -6.061 28.606 1.00 0.77 C ATOM 110 O GLY A 8 -17.740 -7.220 28.239 1.00 0.83 O ATOM 0 H GLY A 8 -18.662 -3.139 28.729 1.00 0.79 H new ATOM 0 HA2 GLY A 8 -19.206 -5.137 29.843 1.00 0.83 H new ATOM 0 HA3 GLY A 8 -19.830 -5.834 28.361 1.00 0.83 H new ATOM 114 N LYS A 9 -16.548 -5.507 28.920 1.00 0.69 N ATOM 115 CA LYS A 9 -15.272 -6.314 28.827 1.00 0.65 C ATOM 116 C LYS A 9 -14.610 -6.330 30.215 1.00 0.67 C ATOM 117 O LYS A 9 -14.965 -5.550 31.076 1.00 0.71 O ATOM 118 CB LYS A 9 -14.314 -5.731 27.778 1.00 0.57 C ATOM 119 CG LYS A 9 -15.016 -5.630 26.418 1.00 0.57 C ATOM 120 CD LYS A 9 -14.012 -5.144 25.361 1.00 0.81 C ATOM 121 CE LYS A 9 -14.703 -4.998 23.997 1.00 1.00 C ATOM 122 NZ LYS A 9 -15.027 -3.564 23.746 1.00 1.27 N ATOM 0 H LYS A 9 -16.432 -4.543 29.234 1.00 0.69 H new ATOM 0 HA LYS A 9 -15.509 -7.330 28.511 1.00 0.65 H new ATOM 0 HB2 LYS A 9 -13.974 -4.745 28.094 1.00 0.57 H new ATOM 0 HB3 LYS A 9 -13.429 -6.362 27.693 1.00 0.57 H new ATOM 0 HG2 LYS A 9 -15.421 -6.601 26.132 1.00 0.57 H new ATOM 0 HG3 LYS A 9 -15.857 -4.940 26.481 1.00 0.57 H new ATOM 0 HD2 LYS A 9 -13.587 -4.187 25.666 1.00 0.81 H new ATOM 0 HD3 LYS A 9 -13.185 -5.850 25.284 1.00 0.81 H new ATOM 0 HE2 LYS A 9 -14.054 -5.377 23.208 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -15.614 -5.596 23.975 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -15.816 -3.499 23.071 1.00 1.27 H new ATOM 0 HZ2 LYS A 9 -15.298 -3.108 24.640 1.00 1.27 H new ATOM 0 HZ3 LYS A 9 -14.193 -3.084 23.351 1.00 1.27 H new ATOM 136 N SER A 10 -13.711 -7.267 30.474 1.00 0.67 N ATOM 137 CA SER A 10 -13.117 -7.367 31.859 1.00 0.71 C ATOM 138 C SER A 10 -11.627 -7.009 31.918 1.00 0.66 C ATOM 139 O SER A 10 -10.873 -7.192 30.981 1.00 0.62 O ATOM 140 CB SER A 10 -13.286 -8.796 32.379 0.50 0.80 C ATOM 141 OG SER A 10 -14.658 -9.158 32.357 1.00 1.33 O ATOM 0 H SER A 10 -13.370 -7.953 29.801 1.00 0.67 H new ATOM 0 HA SER A 10 -13.651 -6.643 32.474 1.00 0.71 H new ATOM 0 HB2 SER A 10 -12.709 -9.487 31.764 0.50 0.80 H new ATOM 0 HB3 SER A 10 -12.897 -8.871 33.394 0.50 0.80 H new ATOM 0 HG SER A 10 -14.760 -10.074 32.689 1.00 1.33 H new ATOM 147 N PHE A 11 -11.221 -6.485 33.057 1.00 0.67 N ATOM 148 CA PHE A 11 -9.802 -6.079 33.265 1.00 0.63 C ATOM 149 C PHE A 11 -9.265 -6.657 34.584 1.00 0.70 C ATOM 150 O PHE A 11 -9.794 -6.421 35.651 1.00 0.77 O ATOM 151 CB PHE A 11 -9.761 -4.554 33.293 1.00 0.58 C ATOM 152 CG PHE A 11 -10.481 -4.074 32.063 1.00 0.52 C ATOM 153 CD1 PHE A 11 -9.776 -3.889 30.873 1.00 0.57 C ATOM 154 CD2 PHE A 11 -11.864 -3.873 32.096 1.00 0.46 C ATOM 155 CE1 PHE A 11 -10.453 -3.513 29.714 1.00 0.55 C ATOM 156 CE2 PHE A 11 -12.536 -3.483 30.941 1.00 0.43 C ATOM 157 CZ PHE A 11 -11.834 -3.310 29.749 1.00 0.48 C ATOM 0 H PHE A 11 -11.829 -6.322 33.859 1.00 0.67 H new ATOM 0 HA PHE A 11 -9.174 -6.462 32.461 1.00 0.63 H new ATOM 0 HB2 PHE A 11 -10.240 -4.172 34.194 1.00 0.58 H new ATOM 0 HB3 PHE A 11 -8.732 -4.196 33.302 1.00 0.58 H new ATOM 0 HD1 PHE A 11 -8.706 -4.037 30.850 1.00 0.57 H new ATOM 0 HD2 PHE A 11 -12.410 -4.020 33.016 1.00 0.46 H new ATOM 0 HE1 PHE A 11 -9.910 -3.379 28.790 1.00 0.55 H new ATOM 0 HE2 PHE A 11 -13.602 -3.314 30.968 1.00 0.43 H new ATOM 0 HZ PHE A 11 -12.359 -3.019 28.851 1.00 0.48 H new ATOM 167 N LYS A 12 -8.194 -7.400 34.496 1.00 0.71 N ATOM 168 CA LYS A 12 -7.570 -7.999 35.719 1.00 0.79 C ATOM 169 C LYS A 12 -7.076 -6.872 36.633 1.00 0.75 C ATOM 170 O LYS A 12 -6.842 -7.064 37.809 1.00 0.82 O ATOM 171 CB LYS A 12 -6.357 -8.851 35.319 1.00 0.85 C ATOM 172 CG LYS A 12 -6.818 -10.178 34.695 1.00 1.35 C ATOM 173 CD LYS A 12 -7.714 -9.903 33.487 1.00 1.66 C ATOM 174 CE LYS A 12 -7.849 -11.176 32.649 1.00 2.25 C ATOM 175 NZ LYS A 12 -8.879 -10.965 31.592 1.00 3.25 N ATOM 0 H LYS A 12 -7.718 -7.621 33.622 1.00 0.71 H new ATOM 0 HA LYS A 12 -8.309 -8.616 36.230 1.00 0.79 H new ATOM 0 HB2 LYS A 12 -5.738 -8.303 34.609 1.00 0.85 H new ATOM 0 HB3 LYS A 12 -5.739 -9.049 36.195 1.00 0.85 H new ATOM 0 HG2 LYS A 12 -5.953 -10.766 34.390 1.00 1.35 H new ATOM 0 HG3 LYS A 12 -7.360 -10.768 35.434 1.00 1.35 H new ATOM 0 HD2 LYS A 12 -8.697 -9.568 33.819 1.00 1.66 H new ATOM 0 HD3 LYS A 12 -7.291 -9.101 32.883 1.00 1.66 H new ATOM 0 HE2 LYS A 12 -6.891 -11.429 32.194 1.00 2.25 H new ATOM 0 HE3 LYS A 12 -8.131 -12.015 33.285 1.00 2.25 H new ATOM 0 HZ1 LYS A 12 -8.973 -11.829 31.021 1.00 3.25 H new ATOM 0 HZ2 LYS A 12 -9.793 -10.743 32.037 1.00 3.25 H new ATOM 0 HZ3 LYS A 12 -8.591 -10.175 30.980 1.00 3.25 H new ATOM 189 N ARG A 13 -6.880 -5.700 36.073 1.00 0.66 N ATOM 190 CA ARG A 13 -6.362 -4.546 36.868 1.00 0.63 C ATOM 191 C ARG A 13 -7.363 -3.392 36.810 1.00 0.56 C ATOM 192 O ARG A 13 -7.909 -3.076 35.767 1.00 0.52 O ATOM 193 CB ARG A 13 -5.024 -4.096 36.272 1.00 0.61 C ATOM 194 CG ARG A 13 -3.873 -4.892 36.900 1.00 0.88 C ATOM 195 CD ARG A 13 -3.301 -4.123 38.094 1.00 0.99 C ATOM 196 NE ARG A 13 -4.417 -3.670 38.981 1.00 0.89 N ATOM 197 CZ ARG A 13 -4.426 -2.455 39.469 1.00 0.87 C ATOM 198 NH1 ARG A 13 -3.476 -1.613 39.166 1.00 1.27 N ATOM 199 NH2 ARG A 13 -5.393 -2.082 40.263 1.00 1.07 N ATOM 0 H ARG A 13 -7.059 -5.495 35.090 1.00 0.66 H new ATOM 0 HA ARG A 13 -6.223 -4.845 37.907 1.00 0.63 H new ATOM 0 HB2 ARG A 13 -5.031 -4.242 35.192 1.00 0.61 H new ATOM 0 HB3 ARG A 13 -4.878 -3.030 36.449 1.00 0.61 H new ATOM 0 HG2 ARG A 13 -4.229 -5.870 37.223 1.00 0.88 H new ATOM 0 HG3 ARG A 13 -3.092 -5.065 36.160 1.00 0.88 H new ATOM 0 HD2 ARG A 13 -2.614 -4.758 38.653 1.00 0.99 H new ATOM 0 HD3 ARG A 13 -2.729 -3.264 37.745 1.00 0.99 H new ATOM 0 HE ARG A 13 -5.176 -4.312 39.207 1.00 0.89 H new ATOM 0 HH11 ARG A 13 -2.719 -1.900 38.545 1.00 1.27 H new ATOM 0 HH12 ARG A 13 -3.490 -0.668 39.550 1.00 1.27 H new ATOM 0 HH21 ARG A 13 -6.138 -2.736 40.501 1.00 1.07 H new ATOM 0 HH22 ARG A 13 -5.403 -1.136 40.645 1.00 1.07 H new ATOM 213 N SER A 14 -7.607 -2.749 37.913 1.00 0.58 N ATOM 214 CA SER A 14 -8.566 -1.619 37.886 1.00 0.54 C ATOM 215 C SER A 14 -8.013 -0.551 36.934 1.00 0.47 C ATOM 216 O SER A 14 -8.751 0.133 36.262 1.00 0.47 O ATOM 217 CB SER A 14 -8.742 -1.045 39.298 1.00 0.60 C ATOM 218 OG SER A 14 -8.010 -1.842 40.221 1.00 0.69 O ATOM 0 H SER A 14 -7.190 -2.954 38.821 1.00 0.58 H new ATOM 0 HA SER A 14 -9.543 -1.956 37.538 1.00 0.54 H new ATOM 0 HB2 SER A 14 -8.390 -0.014 39.331 1.00 0.60 H new ATOM 0 HB3 SER A 14 -9.798 -1.031 39.569 1.00 0.60 H new ATOM 0 HG SER A 14 -8.554 -2.611 40.493 1.00 0.69 H new ATOM 224 N SER A 15 -6.707 -0.402 36.895 1.00 0.47 N ATOM 225 CA SER A 15 -6.082 0.621 36.011 1.00 0.43 C ATOM 226 C SER A 15 -6.376 0.299 34.541 1.00 0.40 C ATOM 227 O SER A 15 -6.728 1.168 33.768 1.00 0.40 O ATOM 228 CB SER A 15 -4.571 0.614 36.236 1.00 0.50 C ATOM 229 OG SER A 15 -4.020 1.840 35.787 1.00 1.07 O ATOM 0 H SER A 15 -6.048 -0.953 37.445 1.00 0.47 H new ATOM 0 HA SER A 15 -6.493 1.602 36.248 1.00 0.43 H new ATOM 0 HB2 SER A 15 -4.351 0.470 37.294 1.00 0.50 H new ATOM 0 HB3 SER A 15 -4.117 -0.219 35.700 1.00 0.50 H new ATOM 0 HG SER A 15 -3.688 2.350 36.555 1.00 1.07 H new ATOM 235 N THR A 16 -6.244 -0.942 34.141 1.00 0.42 N ATOM 236 CA THR A 16 -6.535 -1.294 32.725 1.00 0.41 C ATOM 237 C THR A 16 -8.002 -0.981 32.492 1.00 0.37 C ATOM 238 O THR A 16 -8.409 -0.539 31.434 1.00 0.35 O ATOM 239 CB THR A 16 -6.247 -2.789 32.528 1.00 0.48 C ATOM 240 OG1 THR A 16 -5.744 -3.324 33.739 1.00 0.56 O ATOM 241 CG2 THR A 16 -5.205 -2.978 31.434 1.00 0.52 C ATOM 0 H THR A 16 -5.949 -1.719 34.733 1.00 0.42 H new ATOM 0 HA THR A 16 -5.921 -0.735 32.019 1.00 0.41 H new ATOM 0 HB THR A 16 -7.167 -3.299 32.242 1.00 0.48 H new ATOM 0 HG1 THR A 16 -4.836 -2.988 33.893 1.00 0.56 H new ATOM 0 HG21 THR A 16 -5.006 -4.041 31.301 1.00 0.52 H new ATOM 0 HG22 THR A 16 -5.578 -2.558 30.500 1.00 0.52 H new ATOM 0 HG23 THR A 16 -4.283 -2.470 31.718 1.00 0.52 H new ATOM 249 N LEU A 17 -8.793 -1.148 33.514 1.00 0.41 N ATOM 250 CA LEU A 17 -10.229 -0.804 33.391 1.00 0.42 C ATOM 251 C LEU A 17 -10.336 0.714 33.364 1.00 0.38 C ATOM 252 O LEU A 17 -11.174 1.270 32.705 1.00 0.39 O ATOM 253 CB LEU A 17 -11.015 -1.336 34.588 1.00 0.50 C ATOM 254 CG LEU A 17 -12.390 -0.649 34.669 1.00 0.53 C ATOM 255 CD1 LEU A 17 -13.199 -0.921 33.398 1.00 0.55 C ATOM 256 CD2 LEU A 17 -13.154 -1.203 35.863 1.00 0.64 C ATOM 0 H LEU A 17 -8.505 -1.507 34.424 1.00 0.41 H new ATOM 0 HA LEU A 17 -10.639 -1.249 32.485 1.00 0.42 H new ATOM 0 HB2 LEU A 17 -11.144 -2.415 34.497 1.00 0.50 H new ATOM 0 HB3 LEU A 17 -10.457 -1.158 35.507 1.00 0.50 H new ATOM 0 HG LEU A 17 -12.241 0.425 34.776 1.00 0.53 H new ATOM 0 HD11 LEU A 17 -14.169 -0.428 33.471 1.00 0.55 H new ATOM 0 HD12 LEU A 17 -12.660 -0.534 32.534 1.00 0.55 H new ATOM 0 HD13 LEU A 17 -13.346 -1.995 33.283 1.00 0.55 H new ATOM 0 HD21 LEU A 17 -14.129 -0.721 35.927 1.00 0.64 H new ATOM 0 HD22 LEU A 17 -13.288 -2.278 35.742 1.00 0.64 H new ATOM 0 HD23 LEU A 17 -12.593 -1.008 36.777 1.00 0.64 H new ATOM 268 N SER A 18 -9.504 1.398 34.104 1.00 0.37 N ATOM 269 CA SER A 18 -9.577 2.882 34.124 1.00 0.35 C ATOM 270 C SER A 18 -9.363 3.402 32.706 1.00 0.31 C ATOM 271 O SER A 18 -10.220 4.048 32.143 1.00 0.34 O ATOM 272 CB SER A 18 -8.485 3.431 35.046 0.50 0.38 C ATOM 273 OG SER A 18 -8.588 2.805 36.318 1.00 0.55 O ATOM 0 H SER A 18 -8.779 0.990 34.694 1.00 0.37 H new ATOM 0 HA SER A 18 -10.551 3.205 34.492 1.00 0.35 H new ATOM 0 HB2 SER A 18 -7.501 3.245 34.615 0.50 0.38 H new ATOM 0 HB3 SER A 18 -8.589 4.511 35.150 0.50 0.38 H new ATOM 0 HG SER A 18 -8.692 1.838 36.199 1.00 0.55 H new ATOM 279 N THR A 19 -8.239 3.096 32.112 1.00 0.29 N ATOM 280 CA THR A 19 -7.998 3.554 30.717 1.00 0.28 C ATOM 281 C THR A 19 -9.172 3.097 29.859 1.00 0.27 C ATOM 282 O THR A 19 -9.627 3.786 28.962 1.00 0.31 O ATOM 283 CB THR A 19 -6.708 2.924 30.195 1.00 0.32 C ATOM 284 OG1 THR A 19 -5.636 3.267 31.062 1.00 0.42 O ATOM 285 CG2 THR A 19 -6.419 3.438 28.785 1.00 0.46 C ATOM 0 H THR A 19 -7.484 2.553 32.531 1.00 0.29 H new ATOM 0 HA THR A 19 -7.905 4.639 30.682 1.00 0.28 H new ATOM 0 HB THR A 19 -6.817 1.840 30.163 1.00 0.32 H new ATOM 0 HG1 THR A 19 -4.806 2.863 30.732 1.00 0.42 H new ATOM 0 HG21 THR A 19 -5.498 2.987 28.415 1.00 0.46 H new ATOM 0 HG22 THR A 19 -7.244 3.172 28.125 1.00 0.46 H new ATOM 0 HG23 THR A 19 -6.308 4.522 28.809 1.00 0.46 H new ATOM 293 N HIS A 20 -9.694 1.948 30.151 1.00 0.27 N ATOM 294 CA HIS A 20 -10.856 1.458 29.376 1.00 0.29 C ATOM 295 C HIS A 20 -12.063 2.379 29.657 1.00 0.33 C ATOM 296 O HIS A 20 -12.752 2.850 28.756 1.00 0.36 O ATOM 297 CB HIS A 20 -11.153 0.020 29.807 1.00 0.32 C ATOM 298 CG HIS A 20 -12.295 -0.498 29.004 1.00 0.36 C ATOM 299 ND1 HIS A 20 -12.118 -1.174 27.791 1.00 0.36 N ATOM 300 CD2 HIS A 20 -13.641 -0.372 29.178 1.00 0.42 C ATOM 301 CE1 HIS A 20 -13.342 -1.411 27.282 1.00 0.41 C ATOM 302 NE2 HIS A 20 -14.269 -0.940 28.098 1.00 0.45 N ATOM 0 H HIS A 20 -9.368 1.327 30.891 1.00 0.27 H new ATOM 0 HA HIS A 20 -10.649 1.471 28.306 1.00 0.29 H new ATOM 0 HB2 HIS A 20 -10.274 -0.607 29.660 1.00 0.32 H new ATOM 0 HB3 HIS A 20 -11.394 -0.013 30.870 1.00 0.32 H new ATOM 0 HD1 HIS A 20 -11.227 -1.438 27.371 1.00 0.36 H new ATOM 0 HD2 HIS A 20 -14.129 0.095 30.021 1.00 0.42 H new ATOM 0 HE1 HIS A 20 -13.537 -1.912 26.345 1.00 0.41 H new ATOM 310 N LEU A 21 -12.311 2.662 30.907 1.00 0.35 N ATOM 311 CA LEU A 21 -13.444 3.554 31.253 1.00 0.41 C ATOM 312 C LEU A 21 -13.213 4.882 30.550 1.00 0.41 C ATOM 313 O LEU A 21 -14.130 5.585 30.178 1.00 0.47 O ATOM 314 CB LEU A 21 -13.486 3.766 32.769 1.00 0.45 C ATOM 315 CG LEU A 21 -14.069 2.518 33.449 1.00 0.49 C ATOM 316 CD1 LEU A 21 -13.897 2.636 34.966 1.00 0.52 C ATOM 317 CD2 LEU A 21 -15.565 2.379 33.115 1.00 0.58 C ATOM 0 H LEU A 21 -11.775 2.312 31.701 1.00 0.35 H new ATOM 0 HA LEU A 21 -14.392 3.116 30.939 1.00 0.41 H new ATOM 0 HB2 LEU A 21 -12.483 3.963 33.147 1.00 0.45 H new ATOM 0 HB3 LEU A 21 -14.093 4.639 33.007 1.00 0.45 H new ATOM 0 HG LEU A 21 -13.540 1.638 33.084 1.00 0.49 H new ATOM 0 HD11 LEU A 21 -14.311 1.751 35.449 1.00 0.52 H new ATOM 0 HD12 LEU A 21 -12.837 2.719 35.207 1.00 0.52 H new ATOM 0 HD13 LEU A 21 -14.421 3.522 35.324 1.00 0.52 H new ATOM 0 HD21 LEU A 21 -15.966 1.491 33.603 1.00 0.58 H new ATOM 0 HD22 LEU A 21 -16.100 3.260 33.469 1.00 0.58 H new ATOM 0 HD23 LEU A 21 -15.690 2.288 32.036 1.00 0.58 H new ATOM 329 N LEU A 22 -11.958 5.212 30.357 1.00 0.37 N ATOM 330 CA LEU A 22 -11.603 6.470 29.657 1.00 0.40 C ATOM 331 C LEU A 22 -11.906 6.279 28.180 1.00 0.41 C ATOM 332 O LEU A 22 -12.227 7.223 27.490 1.00 0.46 O ATOM 333 CB LEU A 22 -10.116 6.801 29.863 1.00 0.40 C ATOM 334 CG LEU A 22 -9.824 7.041 31.353 1.00 0.39 C ATOM 335 CD1 LEU A 22 -8.341 7.393 31.544 1.00 0.44 C ATOM 336 CD2 LEU A 22 -10.687 8.193 31.881 1.00 0.50 C ATOM 0 H LEU A 22 -11.162 4.652 30.661 1.00 0.37 H new ATOM 0 HA LEU A 22 -12.182 7.302 30.058 1.00 0.40 H new ATOM 0 HB2 LEU A 22 -9.499 5.982 29.492 1.00 0.40 H new ATOM 0 HB3 LEU A 22 -9.850 7.687 29.286 1.00 0.40 H new ATOM 0 HG LEU A 22 -10.059 6.131 31.905 1.00 0.39 H new ATOM 0 HD11 LEU A 22 -8.140 7.562 32.602 1.00 0.44 H new ATOM 0 HD12 LEU A 22 -7.723 6.571 31.184 1.00 0.44 H new ATOM 0 HD13 LEU A 22 -8.106 8.297 30.981 1.00 0.44 H new ATOM 0 HD21 LEU A 22 -10.472 8.354 32.937 1.00 0.50 H new ATOM 0 HD22 LEU A 22 -10.462 9.102 31.322 1.00 0.50 H new ATOM 0 HD23 LEU A 22 -11.741 7.943 31.759 1.00 0.50 H new ATOM 348 N ILE A 23 -11.857 5.070 27.671 1.00 0.38 N ATOM 349 CA ILE A 23 -12.216 4.889 26.241 1.00 0.40 C ATOM 350 C ILE A 23 -13.674 5.291 26.095 1.00 0.47 C ATOM 351 O ILE A 23 -14.094 5.815 25.086 1.00 0.52 O ATOM 352 CB ILE A 23 -12.076 3.417 25.829 1.00 0.37 C ATOM 353 CG1 ILE A 23 -10.597 3.018 25.813 1.00 0.41 C ATOM 354 CG2 ILE A 23 -12.668 3.237 24.428 1.00 0.43 C ATOM 355 CD1 ILE A 23 -10.467 1.523 25.507 1.00 0.53 C ATOM 0 H ILE A 23 -11.590 4.224 28.175 1.00 0.38 H new ATOM 0 HA ILE A 23 -11.558 5.490 25.613 1.00 0.40 H new ATOM 0 HB ILE A 23 -12.606 2.786 26.542 1.00 0.37 H new ATOM 0 HG12 ILE A 23 -10.062 3.600 25.063 1.00 0.41 H new ATOM 0 HG13 ILE A 23 -10.140 3.243 26.777 1.00 0.41 H new ATOM 0 HG21 ILE A 23 -12.574 2.194 24.125 1.00 0.43 H new ATOM 0 HG22 ILE A 23 -13.721 3.518 24.439 1.00 0.43 H new ATOM 0 HG23 ILE A 23 -12.131 3.870 23.722 1.00 0.43 H new ATOM 0 HD11 ILE A 23 -9.413 1.244 25.497 1.00 0.53 H new ATOM 0 HD12 ILE A 23 -10.987 0.948 26.273 1.00 0.53 H new ATOM 0 HD13 ILE A 23 -10.908 1.311 24.533 1.00 0.53 H new ATOM 367 N HIS A 24 -14.460 5.035 27.116 1.00 0.50 N ATOM 368 CA HIS A 24 -15.915 5.393 27.045 1.00 0.58 C ATOM 369 C HIS A 24 -16.132 6.888 27.318 1.00 0.61 C ATOM 370 O HIS A 24 -16.898 7.535 26.633 1.00 0.72 O ATOM 371 CB HIS A 24 -16.714 4.579 28.067 1.00 0.62 C ATOM 372 CG HIS A 24 -16.801 3.142 27.622 1.00 0.60 C ATOM 373 ND1 HIS A 24 -17.366 2.756 26.397 1.00 0.64 N ATOM 374 CD2 HIS A 24 -16.377 1.986 28.219 1.00 0.57 C ATOM 375 CE1 HIS A 24 -17.256 1.408 26.304 1.00 0.62 C ATOM 376 NE2 HIS A 24 -16.670 0.924 27.389 1.00 0.57 N ATOM 0 H HIS A 24 -14.161 4.598 27.988 1.00 0.50 H new ATOM 0 HA HIS A 24 -16.261 5.163 26.037 1.00 0.58 H new ATOM 0 HB2 HIS A 24 -16.237 4.638 29.045 1.00 0.62 H new ATOM 0 HB3 HIS A 24 -17.715 4.997 28.175 1.00 0.62 H new ATOM 0 HD1 HIS A 24 -17.783 3.376 25.703 1.00 0.64 H new ATOM 0 HD2 HIS A 24 -15.893 1.917 29.182 1.00 0.57 H new ATOM 0 HE1 HIS A 24 -17.596 0.815 25.468 1.00 0.62 H new ATOM 384 N SER A 25 -15.489 7.459 28.307 1.00 0.54 N ATOM 385 CA SER A 25 -15.710 8.912 28.576 1.00 0.57 C ATOM 386 C SER A 25 -14.760 9.725 27.683 1.00 0.52 C ATOM 387 O SER A 25 -14.704 10.936 27.747 1.00 0.60 O ATOM 388 CB SER A 25 -15.438 9.202 30.060 1.00 0.67 C ATOM 389 OG SER A 25 -15.852 8.083 30.837 1.00 0.84 O ATOM 0 H SER A 25 -14.831 6.990 28.930 1.00 0.54 H new ATOM 0 HA SER A 25 -16.740 9.190 28.352 1.00 0.57 H new ATOM 0 HB2 SER A 25 -14.377 9.397 30.217 1.00 0.67 H new ATOM 0 HB3 SER A 25 -15.976 10.097 30.373 1.00 0.67 H new ATOM 0 HG SER A 25 -15.679 8.261 31.785 1.00 0.84 H new ATOM 395 N ASP A 26 -14.016 9.036 26.849 1.00 0.43 N ATOM 396 CA ASP A 26 -13.052 9.705 25.917 1.00 0.41 C ATOM 397 C ASP A 26 -12.400 10.922 26.577 1.00 0.41 C ATOM 398 O ASP A 26 -12.437 12.024 26.064 1.00 0.43 O ATOM 399 CB ASP A 26 -13.772 10.126 24.632 1.00 0.43 C ATOM 400 CG ASP A 26 -14.740 9.019 24.205 1.00 0.60 C ATOM 401 OD1 ASP A 26 -14.280 7.912 23.975 1.00 1.40 O ATOM 402 OD2 ASP A 26 -15.923 9.299 24.114 1.00 1.09 O ATOM 0 H ASP A 26 -14.037 8.019 26.774 1.00 0.43 H new ATOM 0 HA ASP A 26 -12.266 8.991 25.672 1.00 0.41 H new ATOM 0 HB2 ASP A 26 -14.316 11.057 24.795 1.00 0.43 H new ATOM 0 HB3 ASP A 26 -13.046 10.315 23.841 1.00 0.43 H new ATOM 407 N THR A 27 -11.759 10.706 27.688 1.00 0.44 N ATOM 408 CA THR A 27 -11.047 11.821 28.383 1.00 0.46 C ATOM 409 C THR A 27 -9.837 12.243 27.532 1.00 0.45 C ATOM 410 O THR A 27 -9.667 13.400 27.203 1.00 0.52 O ATOM 411 CB THR A 27 -10.578 11.333 29.757 1.00 0.55 C ATOM 412 OG1 THR A 27 -11.699 10.843 30.478 1.00 0.60 O ATOM 413 CG2 THR A 27 -9.936 12.481 30.542 1.00 0.61 C ATOM 0 H THR A 27 -11.695 9.800 28.151 1.00 0.44 H new ATOM 0 HA THR A 27 -11.712 12.674 28.514 1.00 0.46 H new ATOM 0 HB THR A 27 -9.839 10.543 29.622 1.00 0.55 H new ATOM 0 HG1 THR A 27 -11.554 10.975 31.438 1.00 0.60 H new ATOM 0 HG21 THR A 27 -9.608 12.117 31.516 1.00 0.61 H new ATOM 0 HG22 THR A 27 -9.078 12.864 29.990 1.00 0.61 H new ATOM 0 HG23 THR A 27 -10.665 13.280 30.680 1.00 0.61 H new ATOM 421 N ARG A 28 -9.009 11.302 27.160 1.00 0.41 N ATOM 422 CA ARG A 28 -7.817 11.620 26.312 1.00 0.42 C ATOM 423 C ARG A 28 -7.130 12.895 26.809 1.00 0.38 C ATOM 424 O ARG A 28 -7.033 13.870 26.092 1.00 0.39 O ATOM 425 CB ARG A 28 -8.273 11.823 24.855 1.00 0.44 C ATOM 426 CG ARG A 28 -8.242 10.490 24.100 1.00 0.60 C ATOM 427 CD ARG A 28 -9.223 9.505 24.738 1.00 0.47 C ATOM 428 NE ARG A 28 -8.968 8.139 24.201 1.00 0.48 N ATOM 429 CZ ARG A 28 -9.222 7.088 24.936 1.00 0.41 C ATOM 430 NH1 ARG A 28 -9.723 7.230 26.133 1.00 0.46 N ATOM 431 NH2 ARG A 28 -8.977 5.897 24.470 1.00 0.50 N ATOM 0 H ARG A 28 -9.107 10.318 27.409 1.00 0.41 H new ATOM 0 HA ARG A 28 -7.109 10.793 26.372 1.00 0.42 H new ATOM 0 HB2 ARG A 28 -9.281 12.237 24.836 1.00 0.44 H new ATOM 0 HB3 ARG A 28 -7.623 12.545 24.360 1.00 0.44 H new ATOM 0 HG2 ARG A 28 -8.502 10.649 23.054 1.00 0.60 H new ATOM 0 HG3 ARG A 28 -7.234 10.076 24.118 1.00 0.60 H new ATOM 0 HD2 ARG A 28 -9.108 9.510 25.822 1.00 0.47 H new ATOM 0 HD3 ARG A 28 -10.249 9.806 24.525 1.00 0.47 H new ATOM 0 HE ARG A 28 -8.595 8.024 23.259 1.00 0.48 H new ATOM 0 HH11 ARG A 28 -9.917 8.163 26.497 1.00 0.46 H new ATOM 0 HH12 ARG A 28 -9.920 6.408 26.704 1.00 0.46 H new ATOM 0 HH21 ARG A 28 -8.588 5.786 23.534 1.00 0.50 H new ATOM 0 HH22 ARG A 28 -9.174 5.075 25.041 1.00 0.50 H new ATOM 445 N PRO A 29 -6.654 12.898 28.023 1.00 0.41 N ATOM 446 CA PRO A 29 -5.968 14.089 28.602 1.00 0.44 C ATOM 447 C PRO A 29 -4.564 14.341 28.018 1.00 0.43 C ATOM 448 O PRO A 29 -3.761 15.032 28.619 1.00 0.51 O ATOM 449 CB PRO A 29 -5.891 13.763 30.098 1.00 0.54 C ATOM 450 CG PRO A 29 -5.880 12.273 30.166 1.00 0.55 C ATOM 451 CD PRO A 29 -6.722 11.785 28.985 1.00 0.50 C ATOM 0 HA PRO A 29 -6.511 15.007 28.376 1.00 0.44 H new ATOM 0 HB2 PRO A 29 -4.993 14.186 30.549 1.00 0.54 H new ATOM 0 HB3 PRO A 29 -6.743 14.177 30.637 1.00 0.54 H new ATOM 0 HG2 PRO A 29 -4.862 11.888 30.104 1.00 0.55 H new ATOM 0 HG3 PRO A 29 -6.296 11.923 31.111 1.00 0.55 H new ATOM 0 HD2 PRO A 29 -6.321 10.864 28.561 1.00 0.50 H new ATOM 0 HD3 PRO A 29 -7.749 11.577 29.285 1.00 0.50 H new ATOM 459 N TYR A 30 -4.250 13.803 26.861 1.00 0.44 N ATOM 460 CA TYR A 30 -2.891 14.047 26.268 1.00 0.47 C ATOM 461 C TYR A 30 -3.049 14.578 24.836 1.00 0.43 C ATOM 462 O TYR A 30 -3.102 13.817 23.890 1.00 0.46 O ATOM 463 CB TYR A 30 -2.095 12.737 26.247 1.00 0.54 C ATOM 464 CG TYR A 30 -1.796 12.312 27.667 1.00 0.55 C ATOM 465 CD1 TYR A 30 -0.767 12.937 28.383 1.00 0.63 C ATOM 466 CD2 TYR A 30 -2.550 11.298 28.269 1.00 0.53 C ATOM 467 CE1 TYR A 30 -0.493 12.547 29.700 1.00 0.66 C ATOM 468 CE2 TYR A 30 -2.275 10.907 29.585 1.00 0.56 C ATOM 469 CZ TYR A 30 -1.247 11.531 30.300 1.00 0.61 C ATOM 470 OH TYR A 30 -0.977 11.148 31.599 1.00 0.66 O ATOM 0 H TYR A 30 -4.868 13.211 26.306 1.00 0.44 H new ATOM 0 HA TYR A 30 -2.357 14.781 26.872 1.00 0.47 H new ATOM 0 HB2 TYR A 30 -2.663 11.961 25.735 1.00 0.54 H new ATOM 0 HB3 TYR A 30 -1.166 12.871 25.692 1.00 0.54 H new ATOM 0 HD1 TYR A 30 -0.185 13.720 27.919 1.00 0.63 H new ATOM 0 HD2 TYR A 30 -3.345 10.817 27.718 1.00 0.53 H new ATOM 0 HE1 TYR A 30 0.300 13.030 30.253 1.00 0.66 H new ATOM 0 HE2 TYR A 30 -2.857 10.124 30.048 1.00 0.56 H new ATOM 0 HH TYR A 30 -1.592 10.432 31.863 1.00 0.66 H new ATOM 480 N PRO A 31 -3.152 15.881 24.679 1.00 0.44 N ATOM 481 CA PRO A 31 -3.330 16.524 23.342 1.00 0.41 C ATOM 482 C PRO A 31 -2.023 16.709 22.556 1.00 0.39 C ATOM 483 O PRO A 31 -1.011 17.112 23.093 1.00 0.44 O ATOM 484 CB PRO A 31 -3.924 17.886 23.698 0.50 0.44 C ATOM 485 CG PRO A 31 -3.342 18.221 25.033 0.50 0.50 C ATOM 486 CD PRO A 31 -3.103 16.888 25.758 0.50 0.56 C ATOM 0 HA PRO A 31 -3.947 15.907 22.688 1.00 0.41 H new ATOM 0 HB2 PRO A 31 -3.663 18.638 22.953 0.50 0.44 H new ATOM 0 HB3 PRO A 31 -5.012 17.844 23.741 0.50 0.44 H new ATOM 0 HG2 PRO A 31 -2.409 18.773 24.921 0.50 0.50 H new ATOM 0 HG3 PRO A 31 -4.021 18.855 25.603 0.50 0.50 H new ATOM 0 HD2 PRO A 31 -2.140 16.879 26.269 0.50 0.56 H new ATOM 0 HD3 PRO A 31 -3.867 16.702 26.513 0.50 0.56 H new ATOM 494 N CYS A 32 -2.052 16.420 21.282 1.00 0.36 N ATOM 495 CA CYS A 32 -0.833 16.583 20.441 1.00 0.34 C ATOM 496 C CYS A 32 -0.415 18.044 20.474 1.00 0.34 C ATOM 497 O CYS A 32 -1.202 18.943 20.254 1.00 0.35 O ATOM 498 CB CYS A 32 -1.121 16.175 19.001 1.00 0.35 C ATOM 499 SG CYS A 32 -0.065 17.119 17.871 1.00 0.31 S ATOM 0 H CYS A 32 -2.874 16.076 20.786 1.00 0.36 H new ATOM 0 HA CYS A 32 -0.037 15.948 20.831 1.00 0.34 H new ATOM 0 HB2 CYS A 32 -0.942 15.107 18.873 1.00 0.35 H new ATOM 0 HB3 CYS A 32 -2.170 16.353 18.766 1.00 0.35 H new ATOM 504 N GLN A 33 0.825 18.273 20.751 1.00 0.35 N ATOM 505 CA GLN A 33 1.348 19.659 20.823 1.00 0.37 C ATOM 506 C GLN A 33 1.491 20.262 19.415 1.00 0.34 C ATOM 507 O GLN A 33 1.722 21.449 19.280 1.00 0.36 O ATOM 508 CB GLN A 33 2.710 19.601 21.528 1.00 0.42 C ATOM 509 CG GLN A 33 3.144 20.987 21.998 1.00 0.57 C ATOM 510 CD GLN A 33 4.543 20.877 22.608 1.00 0.65 C ATOM 511 OE1 GLN A 33 5.132 21.865 22.997 1.00 1.34 O ATOM 512 NE2 GLN A 33 5.101 19.700 22.706 1.00 1.24 N ATOM 0 H GLN A 33 1.516 17.546 20.935 1.00 0.35 H new ATOM 0 HA GLN A 33 0.659 20.296 21.377 1.00 0.37 H new ATOM 0 HB2 GLN A 33 2.653 18.925 22.381 1.00 0.42 H new ATOM 0 HB3 GLN A 33 3.458 19.193 20.848 1.00 0.42 H new ATOM 0 HG2 GLN A 33 3.149 21.686 21.162 1.00 0.57 H new ATOM 0 HG3 GLN A 33 2.440 21.375 22.734 1.00 0.57 H new ATOM 0 HE21 GLN A 33 4.604 18.871 22.379 1.00 1.24 H new ATOM 0 HE22 GLN A 33 6.033 19.610 23.110 1.00 1.24 H new ATOM 521 N TYR A 34 1.384 19.479 18.364 1.00 0.31 N ATOM 522 CA TYR A 34 1.550 20.063 16.988 1.00 0.31 C ATOM 523 C TYR A 34 0.249 20.016 16.166 1.00 0.30 C ATOM 524 O TYR A 34 -0.350 21.036 15.883 1.00 0.32 O ATOM 525 CB TYR A 34 2.633 19.286 16.256 1.00 0.32 C ATOM 526 CG TYR A 34 3.853 19.234 17.134 1.00 0.33 C ATOM 527 CD1 TYR A 34 3.973 18.221 18.088 1.00 0.34 C ATOM 528 CD2 TYR A 34 4.854 20.204 17.008 1.00 0.36 C ATOM 529 CE1 TYR A 34 5.097 18.175 18.920 1.00 0.38 C ATOM 530 CE2 TYR A 34 5.980 20.159 17.838 1.00 0.40 C ATOM 531 CZ TYR A 34 6.102 19.144 18.794 1.00 0.41 C ATOM 532 OH TYR A 34 7.209 19.101 19.616 1.00 0.48 O ATOM 0 H TYR A 34 1.192 18.478 18.396 1.00 0.31 H new ATOM 0 HA TYR A 34 1.824 21.112 17.101 1.00 0.31 H new ATOM 0 HB2 TYR A 34 2.288 18.278 16.026 1.00 0.32 H new ATOM 0 HB3 TYR A 34 2.869 19.766 15.306 1.00 0.32 H new ATOM 0 HD1 TYR A 34 3.199 17.474 18.183 1.00 0.34 H new ATOM 0 HD2 TYR A 34 4.758 20.987 16.270 1.00 0.36 H new ATOM 0 HE1 TYR A 34 5.190 17.393 19.659 1.00 0.38 H new ATOM 0 HE2 TYR A 34 6.754 20.906 17.741 1.00 0.40 H new ATOM 0 HH TYR A 34 7.809 19.844 19.396 1.00 0.48 H new ATOM 542 N CYS A 35 -0.179 18.843 15.749 1.00 0.29 N ATOM 543 CA CYS A 35 -1.433 18.747 14.911 1.00 0.29 C ATOM 544 C CYS A 35 -2.687 18.592 15.799 1.00 0.30 C ATOM 545 O CYS A 35 -3.805 18.718 15.341 1.00 0.34 O ATOM 546 CB CYS A 35 -1.318 17.613 13.863 1.00 0.29 C ATOM 547 SG CYS A 35 -1.394 15.968 14.598 1.00 0.31 S ATOM 0 H CYS A 35 0.278 17.953 15.948 1.00 0.29 H new ATOM 0 HA CYS A 35 -1.545 19.681 14.361 1.00 0.29 H new ATOM 0 HB2 CYS A 35 -2.121 17.717 13.133 1.00 0.29 H new ATOM 0 HB3 CYS A 35 -0.379 17.720 13.321 1.00 0.29 H new ATOM 552 N GLY A 36 -2.495 18.414 17.080 1.00 0.32 N ATOM 553 CA GLY A 36 -3.650 18.364 18.035 1.00 0.35 C ATOM 554 C GLY A 36 -4.290 16.970 18.247 1.00 0.35 C ATOM 555 O GLY A 36 -5.166 16.848 19.077 1.00 0.39 O ATOM 0 H GLY A 36 -1.579 18.300 17.513 1.00 0.32 H new ATOM 0 HA2 GLY A 36 -3.314 18.739 19.002 1.00 0.35 H new ATOM 0 HA3 GLY A 36 -4.421 19.047 17.679 1.00 0.35 H new ATOM 559 N LYS A 37 -3.891 15.913 17.570 1.00 0.34 N ATOM 560 CA LYS A 37 -4.542 14.594 17.875 1.00 0.35 C ATOM 561 C LYS A 37 -4.538 14.436 19.402 1.00 0.36 C ATOM 562 O LYS A 37 -3.640 14.895 20.056 1.00 0.40 O ATOM 563 CB LYS A 37 -3.740 13.430 17.262 1.00 0.35 C ATOM 564 CG LYS A 37 -4.262 13.074 15.867 1.00 0.38 C ATOM 565 CD LYS A 37 -3.592 11.772 15.403 1.00 0.41 C ATOM 566 CE LYS A 37 -3.720 11.617 13.883 1.00 0.48 C ATOM 567 NZ LYS A 37 -5.047 12.116 13.430 1.00 0.70 N ATOM 0 H LYS A 37 -3.171 15.903 16.847 1.00 0.34 H new ATOM 0 HA LYS A 37 -5.550 14.573 17.460 1.00 0.35 H new ATOM 0 HB2 LYS A 37 -2.687 13.703 17.201 1.00 0.35 H new ATOM 0 HB3 LYS A 37 -3.806 12.557 17.912 1.00 0.35 H new ATOM 0 HG2 LYS A 37 -5.345 12.954 15.889 1.00 0.38 H new ATOM 0 HG3 LYS A 37 -4.045 13.880 15.166 1.00 0.38 H new ATOM 0 HD2 LYS A 37 -2.540 11.776 15.687 1.00 0.41 H new ATOM 0 HD3 LYS A 37 -4.054 10.920 15.902 1.00 0.41 H new ATOM 0 HE2 LYS A 37 -2.925 12.171 13.385 1.00 0.48 H new ATOM 0 HE3 LYS A 37 -3.602 10.570 13.605 1.00 0.48 H new ATOM 0 HZ1 LYS A 37 -5.269 11.714 12.497 1.00 0.70 H new ATOM 0 HZ2 LYS A 37 -5.777 11.829 14.113 1.00 0.70 H new ATOM 0 HZ3 LYS A 37 -5.024 13.154 13.364 1.00 0.70 H new ATOM 581 N ARG A 38 -5.506 13.788 19.986 1.00 0.37 N ATOM 582 CA ARG A 38 -5.495 13.627 21.484 1.00 0.38 C ATOM 583 C ARG A 38 -5.405 12.145 21.835 1.00 0.40 C ATOM 584 O ARG A 38 -6.101 11.322 21.274 1.00 0.43 O ATOM 585 CB ARG A 38 -6.770 14.227 22.092 1.00 0.41 C ATOM 586 CG ARG A 38 -7.015 15.643 21.537 1.00 0.44 C ATOM 587 CD ARG A 38 -8.452 15.757 21.012 1.00 0.52 C ATOM 588 NE ARG A 38 -8.539 15.106 19.674 1.00 0.79 N ATOM 589 CZ ARG A 38 -8.228 15.777 18.597 1.00 1.01 C ATOM 590 NH1 ARG A 38 -7.846 17.022 18.691 1.00 1.69 N ATOM 591 NH2 ARG A 38 -8.298 15.203 17.427 1.00 1.30 N ATOM 0 H ARG A 38 -6.300 13.364 19.506 1.00 0.37 H new ATOM 0 HA ARG A 38 -4.631 14.152 21.892 1.00 0.38 H new ATOM 0 HB2 ARG A 38 -7.624 13.588 21.866 1.00 0.41 H new ATOM 0 HB3 ARG A 38 -6.679 14.266 23.178 1.00 0.41 H new ATOM 0 HG2 ARG A 38 -6.844 16.384 22.318 1.00 0.44 H new ATOM 0 HG3 ARG A 38 -6.308 15.856 20.735 1.00 0.44 H new ATOM 0 HD2 ARG A 38 -9.144 15.281 21.707 1.00 0.52 H new ATOM 0 HD3 ARG A 38 -8.743 16.805 20.939 1.00 0.52 H new ATOM 0 HE ARG A 38 -8.842 14.135 19.599 1.00 0.79 H new ATOM 0 HH11 ARG A 38 -7.790 17.471 19.605 1.00 1.69 H new ATOM 0 HH12 ARG A 38 -7.603 17.546 17.850 1.00 1.69 H new ATOM 0 HH21 ARG A 38 -8.596 14.230 17.353 1.00 1.30 H new ATOM 0 HH22 ARG A 38 -8.055 15.727 16.586 1.00 1.30 H new ATOM 605 N PHE A 39 -4.551 11.796 22.776 1.00 0.42 N ATOM 606 CA PHE A 39 -4.402 10.369 23.185 1.00 0.45 C ATOM 607 C PHE A 39 -4.760 10.235 24.667 1.00 0.51 C ATOM 608 O PHE A 39 -5.028 11.219 25.343 1.00 0.53 O ATOM 609 CB PHE A 39 -2.945 9.941 22.990 1.00 0.44 C ATOM 610 CG PHE A 39 -2.490 10.363 21.621 1.00 0.40 C ATOM 611 CD1 PHE A 39 -2.082 11.682 21.401 1.00 0.42 C ATOM 612 CD2 PHE A 39 -2.488 9.442 20.570 1.00 0.38 C ATOM 613 CE1 PHE A 39 -1.676 12.082 20.126 1.00 0.40 C ATOM 614 CE2 PHE A 39 -2.077 9.841 19.295 1.00 0.36 C ATOM 615 CZ PHE A 39 -1.674 11.162 19.073 1.00 0.36 C ATOM 0 H PHE A 39 -3.949 12.449 23.278 1.00 0.42 H new ATOM 0 HA PHE A 39 -5.059 9.742 22.582 1.00 0.45 H new ATOM 0 HB2 PHE A 39 -2.314 10.396 23.753 1.00 0.44 H new ATOM 0 HB3 PHE A 39 -2.852 8.861 23.101 1.00 0.44 H new ATOM 0 HD1 PHE A 39 -2.081 12.391 22.216 1.00 0.42 H new ATOM 0 HD2 PHE A 39 -2.803 8.424 20.743 1.00 0.38 H new ATOM 0 HE1 PHE A 39 -1.364 13.101 19.953 1.00 0.40 H new ATOM 0 HE2 PHE A 39 -2.071 9.130 18.482 1.00 0.36 H new ATOM 0 HZ PHE A 39 -1.361 11.472 18.087 1.00 0.36 H new ATOM 625 N HIS A 40 -4.772 9.027 25.176 1.00 0.57 N ATOM 626 CA HIS A 40 -5.123 8.819 26.611 1.00 0.64 C ATOM 627 C HIS A 40 -3.918 8.309 27.413 1.00 0.67 C ATOM 628 O HIS A 40 -4.059 7.950 28.565 1.00 0.72 O ATOM 629 CB HIS A 40 -6.262 7.801 26.715 1.00 0.70 C ATOM 630 CG HIS A 40 -5.993 6.658 25.775 1.00 0.80 C ATOM 631 ND1 HIS A 40 -5.623 5.401 26.227 1.00 0.91 N ATOM 632 CD2 HIS A 40 -6.029 6.570 24.407 1.00 0.91 C ATOM 633 CE1 HIS A 40 -5.452 4.618 25.146 1.00 0.98 C ATOM 634 NE2 HIS A 40 -5.687 5.281 24.011 1.00 0.98 N ATOM 0 H HIS A 40 -4.553 8.177 24.657 1.00 0.57 H new ATOM 0 HA HIS A 40 -5.432 9.778 27.026 1.00 0.64 H new ATOM 0 HB2 HIS A 40 -6.345 7.434 27.738 1.00 0.70 H new ATOM 0 HB3 HIS A 40 -7.212 8.274 26.468 1.00 0.70 H new ATOM 0 HD2 HIS A 40 -6.284 7.379 23.738 1.00 0.91 H new ATOM 0 HE1 HIS A 40 -5.160 3.579 25.191 1.00 0.98 H new ATOM 0 HE2 HIS A 40 -5.628 4.920 23.059 1.00 0.98 H new ATOM 642 N GLN A 41 -2.735 8.278 26.847 1.00 0.65 N ATOM 643 CA GLN A 41 -1.564 7.792 27.649 1.00 0.69 C ATOM 644 C GLN A 41 -0.303 8.600 27.301 1.00 0.64 C ATOM 645 O GLN A 41 0.229 8.494 26.214 1.00 0.60 O ATOM 646 CB GLN A 41 -1.308 6.307 27.364 1.00 0.72 C ATOM 647 CG GLN A 41 -2.634 5.543 27.274 1.00 0.75 C ATOM 648 CD GLN A 41 -2.345 4.071 26.962 1.00 0.86 C ATOM 649 OE1 GLN A 41 -1.212 3.704 26.723 1.00 1.03 O ATOM 650 NE2 GLN A 41 -3.325 3.206 26.951 1.00 1.48 N ATOM 0 H GLN A 41 -2.530 8.560 25.888 1.00 0.65 H new ATOM 0 HA GLN A 41 -1.795 7.925 28.706 1.00 0.69 H new ATOM 0 HB2 GLN A 41 -0.755 6.199 26.431 1.00 0.72 H new ATOM 0 HB3 GLN A 41 -0.688 5.881 28.153 1.00 0.72 H new ATOM 0 HG2 GLN A 41 -3.181 5.628 28.213 1.00 0.75 H new ATOM 0 HG3 GLN A 41 -3.265 5.975 26.497 1.00 0.75 H new ATOM 0 HE21 GLN A 41 -4.277 3.512 27.151 1.00 1.48 H new ATOM 0 HE22 GLN A 41 -3.137 2.225 26.742 1.00 1.48 H new ATOM 659 N LYS A 42 0.175 9.393 28.220 1.00 0.67 N ATOM 660 CA LYS A 42 1.399 10.215 27.978 1.00 0.65 C ATOM 661 C LYS A 42 2.353 9.509 27.013 1.00 0.63 C ATOM 662 O LYS A 42 2.369 9.795 25.829 1.00 0.64 O ATOM 663 CB LYS A 42 2.106 10.440 29.313 1.00 0.70 C ATOM 664 CG LYS A 42 3.296 11.382 29.128 1.00 0.66 C ATOM 665 CD LYS A 42 3.980 11.599 30.481 1.00 0.65 C ATOM 666 CE LYS A 42 4.749 12.918 30.463 1.00 0.70 C ATOM 667 NZ LYS A 42 5.748 12.890 29.360 1.00 1.10 N ATOM 0 H LYS A 42 -0.237 9.509 29.146 1.00 0.67 H new ATOM 0 HA LYS A 42 1.105 11.165 27.533 1.00 0.65 H new ATOM 0 HB2 LYS A 42 1.408 10.862 30.036 1.00 0.70 H new ATOM 0 HB3 LYS A 42 2.447 9.487 29.718 1.00 0.70 H new ATOM 0 HG2 LYS A 42 4.002 10.959 28.413 1.00 0.66 H new ATOM 0 HG3 LYS A 42 2.961 12.335 28.719 1.00 0.66 H new ATOM 0 HD2 LYS A 42 3.236 11.611 31.278 1.00 0.65 H new ATOM 0 HD3 LYS A 42 4.660 10.773 30.692 1.00 0.65 H new ATOM 0 HE2 LYS A 42 4.061 13.752 30.324 1.00 0.70 H new ATOM 0 HE3 LYS A 42 5.250 13.073 31.419 1.00 0.70 H new ATOM 0 HZ1 LYS A 42 6.364 13.726 29.428 1.00 1.10 H new ATOM 0 HZ2 LYS A 42 6.325 12.028 29.436 1.00 1.10 H new ATOM 0 HZ3 LYS A 42 5.255 12.897 28.445 1.00 1.10 H new ATOM 681 N SER A 43 3.128 8.576 27.492 1.00 0.65 N ATOM 682 CA SER A 43 4.083 7.841 26.605 1.00 0.64 C ATOM 683 C SER A 43 3.497 7.610 25.210 1.00 0.58 C ATOM 684 O SER A 43 4.213 7.573 24.232 1.00 0.56 O ATOM 685 CB SER A 43 4.397 6.491 27.247 1.00 0.70 C ATOM 686 OG SER A 43 3.185 5.886 27.674 1.00 0.77 O ATOM 0 H SER A 43 3.143 8.286 28.470 1.00 0.65 H new ATOM 0 HA SER A 43 4.985 8.442 26.493 1.00 0.64 H new ATOM 0 HB2 SER A 43 4.909 5.845 26.533 1.00 0.70 H new ATOM 0 HB3 SER A 43 5.069 6.625 28.094 1.00 0.70 H new ATOM 0 HG SER A 43 2.626 5.687 26.894 1.00 0.77 H new ATOM 692 N ASP A 44 2.209 7.460 25.095 1.00 0.57 N ATOM 693 CA ASP A 44 1.641 7.240 23.736 1.00 0.53 C ATOM 694 C ASP A 44 1.643 8.571 22.994 1.00 0.48 C ATOM 695 O ASP A 44 1.996 8.647 21.829 1.00 0.45 O ATOM 696 CB ASP A 44 0.229 6.652 23.803 1.00 0.56 C ATOM 697 CG ASP A 44 0.317 5.213 24.315 1.00 0.57 C ATOM 698 OD1 ASP A 44 1.014 4.997 25.293 1.00 0.81 O ATOM 699 OD2 ASP A 44 -0.306 4.350 23.718 1.00 0.77 O ATOM 0 H ASP A 44 1.537 7.479 25.862 1.00 0.57 H new ATOM 0 HA ASP A 44 2.255 6.515 23.202 1.00 0.53 H new ATOM 0 HB2 ASP A 44 -0.398 7.250 24.465 1.00 0.56 H new ATOM 0 HB3 ASP A 44 -0.236 6.674 22.817 1.00 0.56 H new ATOM 704 N MET A 45 1.306 9.643 23.647 1.00 0.49 N ATOM 705 CA MET A 45 1.365 10.941 22.944 1.00 0.46 C ATOM 706 C MET A 45 2.835 11.193 22.626 1.00 0.44 C ATOM 707 O MET A 45 3.193 11.543 21.526 1.00 0.43 O ATOM 708 CB MET A 45 0.829 12.045 23.854 0.50 0.50 C ATOM 709 CG MET A 45 1.225 13.421 23.299 0.50 0.57 C ATOM 710 SD MET A 45 2.671 14.039 24.193 1.00 0.69 S ATOM 711 CE MET A 45 1.778 14.735 25.604 1.00 0.62 C ATOM 0 H MET A 45 0.998 9.675 24.619 1.00 0.49 H new ATOM 0 HA MET A 45 0.762 10.931 22.036 1.00 0.46 H new ATOM 0 HB2 MET A 45 -0.256 11.972 23.928 0.50 0.50 H new ATOM 0 HB3 MET A 45 1.226 11.922 24.862 0.50 0.50 H new ATOM 0 HG2 MET A 45 1.447 13.345 22.235 0.50 0.57 H new ATOM 0 HG3 MET A 45 0.394 14.119 23.402 0.50 0.57 H new ATOM 0 HE1 MET A 45 2.488 15.180 26.301 1.00 0.62 H new ATOM 0 HE2 MET A 45 1.085 15.500 25.254 1.00 0.62 H new ATOM 0 HE3 MET A 45 1.222 13.945 26.108 1.00 0.62 H new ATOM 721 N LYS A 46 3.698 10.988 23.588 1.00 0.46 N ATOM 722 CA LYS A 46 5.140 11.195 23.323 1.00 0.46 C ATOM 723 C LYS A 46 5.488 10.422 22.059 1.00 0.41 C ATOM 724 O LYS A 46 6.254 10.875 21.233 1.00 0.39 O ATOM 725 CB LYS A 46 5.973 10.688 24.499 1.00 0.52 C ATOM 726 CG LYS A 46 5.889 11.693 25.656 1.00 0.58 C ATOM 727 CD LYS A 46 6.934 12.797 25.458 1.00 0.72 C ATOM 728 CE LYS A 46 6.988 13.683 26.702 1.00 0.78 C ATOM 729 NZ LYS A 46 7.951 14.795 26.470 1.00 1.44 N ATOM 0 H LYS A 46 3.463 10.689 24.535 1.00 0.46 H new ATOM 0 HA LYS A 46 5.356 12.256 23.195 1.00 0.46 H new ATOM 0 HB2 LYS A 46 5.609 9.713 24.823 1.00 0.52 H new ATOM 0 HB3 LYS A 46 7.011 10.555 24.193 1.00 0.52 H new ATOM 0 HG2 LYS A 46 4.891 12.128 25.701 1.00 0.58 H new ATOM 0 HG3 LYS A 46 6.058 11.185 26.605 1.00 0.58 H new ATOM 0 HD2 LYS A 46 7.913 12.355 25.271 1.00 0.72 H new ATOM 0 HD3 LYS A 46 6.683 13.397 24.583 1.00 0.72 H new ATOM 0 HE2 LYS A 46 5.998 14.083 26.921 1.00 0.78 H new ATOM 0 HE3 LYS A 46 7.294 13.096 27.568 1.00 0.78 H new ATOM 0 HZ1 LYS A 46 7.991 15.401 27.314 1.00 1.44 H new ATOM 0 HZ2 LYS A 46 8.895 14.403 26.280 1.00 1.44 H new ATOM 0 HZ3 LYS A 46 7.640 15.359 25.653 1.00 1.44 H new ATOM 743 N LYS A 47 4.894 9.268 21.873 1.00 0.41 N ATOM 744 CA LYS A 47 5.178 8.516 20.622 1.00 0.38 C ATOM 745 C LYS A 47 4.673 9.381 19.477 1.00 0.33 C ATOM 746 O LYS A 47 5.238 9.433 18.395 1.00 0.33 O ATOM 747 CB LYS A 47 4.446 7.161 20.608 1.00 0.42 C ATOM 748 CG LYS A 47 5.121 6.182 21.586 1.00 0.54 C ATOM 749 CD LYS A 47 5.032 4.749 21.048 1.00 0.69 C ATOM 750 CE LYS A 47 3.592 4.235 21.153 1.00 1.02 C ATOM 751 NZ LYS A 47 2.776 4.803 20.042 1.00 1.92 N ATOM 0 H LYS A 47 4.240 8.826 22.520 1.00 0.41 H new ATOM 0 HA LYS A 47 6.245 8.308 20.537 1.00 0.38 H new ATOM 0 HB2 LYS A 47 3.401 7.301 20.885 1.00 0.42 H new ATOM 0 HB3 LYS A 47 4.455 6.745 19.601 1.00 0.42 H new ATOM 0 HG2 LYS A 47 6.165 6.461 21.728 1.00 0.54 H new ATOM 0 HG3 LYS A 47 4.640 6.242 22.562 1.00 0.54 H new ATOM 0 HD2 LYS A 47 5.361 4.721 20.009 1.00 0.69 H new ATOM 0 HD3 LYS A 47 5.701 4.098 21.612 1.00 0.69 H new ATOM 0 HE2 LYS A 47 3.580 3.146 21.107 1.00 1.02 H new ATOM 0 HE3 LYS A 47 3.163 4.518 22.114 1.00 1.02 H new ATOM 0 HZ1 LYS A 47 2.042 5.427 20.434 1.00 1.92 H new ATOM 0 HZ2 LYS A 47 3.390 5.348 19.404 1.00 1.92 H new ATOM 0 HZ3 LYS A 47 2.325 4.030 19.512 1.00 1.92 H new ATOM 765 N HIS A 48 3.632 10.120 19.737 1.00 0.33 N ATOM 766 CA HIS A 48 3.105 11.026 18.696 1.00 0.29 C ATOM 767 C HIS A 48 4.102 12.199 18.561 1.00 0.27 C ATOM 768 O HIS A 48 4.811 12.338 17.567 1.00 0.25 O ATOM 769 CB HIS A 48 1.714 11.493 19.134 1.00 0.32 C ATOM 770 CG HIS A 48 1.120 12.332 18.062 1.00 0.30 C ATOM 771 ND1 HIS A 48 0.417 11.806 16.966 1.00 0.31 N ATOM 772 CD2 HIS A 48 1.150 13.670 17.887 1.00 0.29 C ATOM 773 CE1 HIS A 48 0.065 12.851 16.187 1.00 0.30 C ATOM 774 NE2 HIS A 48 0.498 13.972 16.734 1.00 0.28 N ATOM 0 H HIS A 48 3.129 10.132 20.624 1.00 0.33 H new ATOM 0 HA HIS A 48 3.004 10.541 17.725 1.00 0.29 H new ATOM 0 HB2 HIS A 48 1.075 10.633 19.335 1.00 0.32 H new ATOM 0 HB3 HIS A 48 1.784 12.062 20.061 1.00 0.32 H new ATOM 0 HD1 HIS A 48 0.212 10.822 16.792 1.00 0.31 H new ATOM 0 HD2 HIS A 48 1.615 14.382 18.553 1.00 0.29 H new ATOM 0 HE1 HIS A 48 -0.485 12.781 15.260 1.00 0.30 H new ATOM 782 N THR A 49 4.215 13.025 19.569 1.00 0.29 N ATOM 783 CA THR A 49 5.203 14.134 19.520 1.00 0.30 C ATOM 784 C THR A 49 6.497 13.637 18.898 1.00 0.28 C ATOM 785 O THR A 49 7.192 14.363 18.218 1.00 0.29 O ATOM 786 CB THR A 49 5.525 14.537 20.948 1.00 0.36 C ATOM 787 OG1 THR A 49 5.943 13.380 21.649 1.00 0.40 O ATOM 788 CG2 THR A 49 4.291 15.132 21.625 1.00 0.42 C ATOM 0 H THR A 49 3.662 12.976 20.425 1.00 0.29 H new ATOM 0 HA THR A 49 4.794 14.962 18.942 1.00 0.30 H new ATOM 0 HB THR A 49 6.313 15.291 20.951 1.00 0.36 H new ATOM 0 HG1 THR A 49 5.717 12.582 21.127 1.00 0.40 H new ATOM 0 HG21 THR A 49 4.538 15.416 22.648 1.00 0.42 H new ATOM 0 HG22 THR A 49 3.963 16.013 21.073 1.00 0.42 H new ATOM 0 HG23 THR A 49 3.491 14.392 21.637 1.00 0.42 H new ATOM 796 N PHE A 50 6.824 12.389 19.103 1.00 0.28 N ATOM 797 CA PHE A 50 8.071 11.845 18.509 1.00 0.27 C ATOM 798 C PHE A 50 7.890 11.730 16.985 1.00 0.26 C ATOM 799 O PHE A 50 8.819 11.937 16.215 1.00 0.30 O ATOM 800 CB PHE A 50 8.364 10.474 19.138 1.00 0.27 C ATOM 801 CG PHE A 50 9.028 10.655 20.494 1.00 0.29 C ATOM 802 CD1 PHE A 50 8.760 11.794 21.275 1.00 0.30 C ATOM 803 CD2 PHE A 50 9.916 9.682 20.970 1.00 0.42 C ATOM 804 CE1 PHE A 50 9.378 11.952 22.521 1.00 0.34 C ATOM 805 CE2 PHE A 50 10.534 9.843 22.219 1.00 0.47 C ATOM 806 CZ PHE A 50 10.266 10.978 22.993 1.00 0.39 C ATOM 0 H PHE A 50 6.280 11.727 19.656 1.00 0.28 H new ATOM 0 HA PHE A 50 8.915 12.506 18.708 1.00 0.27 H new ATOM 0 HB2 PHE A 50 7.438 9.911 19.250 1.00 0.27 H new ATOM 0 HB3 PHE A 50 9.012 9.894 18.481 1.00 0.27 H new ATOM 0 HD1 PHE A 50 8.076 12.548 20.913 1.00 0.30 H new ATOM 0 HD2 PHE A 50 10.125 8.806 20.374 1.00 0.42 H new ATOM 0 HE1 PHE A 50 9.169 12.827 23.119 1.00 0.34 H new ATOM 0 HE2 PHE A 50 11.217 9.090 22.584 1.00 0.47 H new ATOM 0 HZ PHE A 50 10.744 11.102 23.954 1.00 0.39 H new ATOM 816 N ILE A 51 6.689 11.452 16.527 1.00 0.25 N ATOM 817 CA ILE A 51 6.488 11.394 15.046 1.00 0.26 C ATOM 818 C ILE A 51 6.568 12.814 14.468 1.00 0.26 C ATOM 819 O ILE A 51 6.784 12.985 13.287 1.00 0.29 O ATOM 820 CB ILE A 51 5.159 10.727 14.648 1.00 0.28 C ATOM 821 CG1 ILE A 51 3.976 11.671 14.908 1.00 0.32 C ATOM 822 CG2 ILE A 51 4.968 9.425 15.430 1.00 0.28 C ATOM 823 CD1 ILE A 51 2.702 11.044 14.343 1.00 0.37 C ATOM 0 H ILE A 51 5.863 11.268 17.097 1.00 0.25 H new ATOM 0 HA ILE A 51 7.281 10.773 14.630 1.00 0.26 H new ATOM 0 HB ILE A 51 5.195 10.503 13.582 1.00 0.28 H new ATOM 0 HG12 ILE A 51 3.865 11.849 15.978 1.00 0.32 H new ATOM 0 HG13 ILE A 51 4.158 12.639 14.441 1.00 0.32 H new ATOM 0 HG21 ILE A 51 4.025 8.962 15.141 1.00 0.28 H new ATOM 0 HG22 ILE A 51 5.790 8.744 15.209 1.00 0.28 H new ATOM 0 HG23 ILE A 51 4.953 9.641 16.498 1.00 0.28 H new ATOM 0 HD11 ILE A 51 1.858 11.709 14.524 1.00 0.37 H new ATOM 0 HD12 ILE A 51 2.818 10.889 13.270 1.00 0.37 H new ATOM 0 HD13 ILE A 51 2.521 10.086 14.831 1.00 0.37 H new ATOM 835 N HIS A 52 6.452 13.840 15.277 1.00 0.25 N ATOM 836 CA HIS A 52 6.604 15.229 14.702 1.00 0.27 C ATOM 837 C HIS A 52 8.082 15.653 14.795 1.00 0.28 C ATOM 838 O HIS A 52 8.576 16.431 14.004 1.00 0.32 O ATOM 839 CB HIS A 52 5.825 16.279 15.514 1.00 0.28 C ATOM 840 CG HIS A 52 4.349 16.265 15.203 1.00 0.27 C ATOM 841 ND1 HIS A 52 3.792 16.755 14.004 1.00 0.29 N ATOM 842 CD2 HIS A 52 3.292 15.902 15.979 1.00 0.25 C ATOM 843 CE1 HIS A 52 2.440 16.669 14.120 1.00 0.28 C ATOM 844 NE2 HIS A 52 2.125 16.163 15.303 1.00 0.26 N ATOM 0 H HIS A 52 6.265 13.789 16.278 1.00 0.25 H new ATOM 0 HA HIS A 52 6.231 15.189 13.679 1.00 0.27 H new ATOM 0 HB2 HIS A 52 5.971 16.094 16.578 1.00 0.28 H new ATOM 0 HB3 HIS A 52 6.229 17.270 15.304 1.00 0.28 H new ATOM 0 HD1 HIS A 52 4.308 17.109 13.198 1.00 0.29 H new ATOM 0 HD2 HIS A 52 3.360 15.476 16.969 1.00 0.25 H new ATOM 0 HE1 HIS A 52 1.731 16.968 13.363 1.00 0.28 H new ATOM 852 N THR A 53 8.766 15.159 15.804 1.00 0.29 N ATOM 853 CA THR A 53 10.197 15.548 16.055 1.00 0.34 C ATOM 854 C THR A 53 11.189 14.704 15.243 1.00 0.36 C ATOM 855 O THR A 53 12.369 14.995 15.210 1.00 0.56 O ATOM 856 CB THR A 53 10.491 15.339 17.542 1.00 0.37 C ATOM 857 OG1 THR A 53 10.216 13.991 17.885 1.00 0.41 O ATOM 858 CG2 THR A 53 9.613 16.270 18.385 1.00 0.47 C ATOM 0 H THR A 53 8.387 14.491 16.476 1.00 0.29 H new ATOM 0 HA THR A 53 10.321 16.588 15.752 1.00 0.34 H new ATOM 0 HB THR A 53 11.539 15.565 17.738 1.00 0.37 H new ATOM 0 HG1 THR A 53 9.847 13.524 17.106 1.00 0.41 H new ATOM 0 HG21 THR A 53 9.828 16.115 19.442 1.00 0.47 H new ATOM 0 HG22 THR A 53 9.823 17.306 18.120 1.00 0.47 H new ATOM 0 HG23 THR A 53 8.562 16.052 18.193 1.00 0.47 H new ATOM 866 N GLY A 54 10.749 13.644 14.630 1.00 0.33 N ATOM 867 CA GLY A 54 11.701 12.780 13.866 1.00 0.36 C ATOM 868 C GLY A 54 12.387 11.815 14.834 1.00 0.37 C ATOM 869 O GLY A 54 13.417 11.237 14.534 1.00 0.45 O ATOM 0 H GLY A 54 9.777 13.335 14.622 1.00 0.33 H new ATOM 0 HA2 GLY A 54 11.168 12.224 13.095 1.00 0.36 H new ATOM 0 HA3 GLY A 54 12.444 13.396 13.359 1.00 0.36 H new ATOM 873 N GLU A 55 11.860 11.684 16.011 1.00 0.39 N ATOM 874 CA GLU A 55 12.509 10.809 17.020 1.00 0.43 C ATOM 875 C GLU A 55 12.285 9.341 16.694 1.00 0.44 C ATOM 876 O GLU A 55 11.184 8.894 16.442 1.00 0.47 O ATOM 877 CB GLU A 55 11.964 11.137 18.407 1.00 0.46 C ATOM 878 CG GLU A 55 12.633 12.415 18.919 1.00 0.53 C ATOM 879 CD GLU A 55 12.146 12.708 20.337 1.00 1.09 C ATOM 880 OE1 GLU A 55 11.346 11.937 20.835 1.00 1.77 O ATOM 881 OE2 GLU A 55 12.584 13.697 20.899 1.00 1.55 O ATOM 0 H GLU A 55 11.005 12.146 16.321 1.00 0.39 H new ATOM 0 HA GLU A 55 13.583 10.993 17.003 1.00 0.43 H new ATOM 0 HB2 GLU A 55 10.883 11.270 18.364 1.00 0.46 H new ATOM 0 HB3 GLU A 55 12.157 10.311 19.092 1.00 0.46 H new ATOM 0 HG2 GLU A 55 13.717 12.300 18.911 1.00 0.53 H new ATOM 0 HG3 GLU A 55 12.397 13.251 18.261 1.00 0.53 H new ATOM 888 N LYS A 56 13.357 8.599 16.707 1.00 0.44 N ATOM 889 CA LYS A 56 13.298 7.143 16.409 1.00 0.45 C ATOM 890 C LYS A 56 14.236 6.406 17.379 1.00 0.46 C ATOM 891 O LYS A 56 15.246 5.863 16.977 1.00 0.50 O ATOM 892 CB LYS A 56 13.772 6.890 14.970 1.00 0.47 C ATOM 893 CG LYS A 56 13.036 7.812 13.989 1.00 0.48 C ATOM 894 CD LYS A 56 11.608 7.301 13.766 1.00 1.20 C ATOM 895 CE LYS A 56 10.920 8.142 12.684 1.00 1.29 C ATOM 896 NZ LYS A 56 9.456 8.202 12.961 1.00 1.39 N ATOM 0 H LYS A 56 14.292 8.950 16.917 1.00 0.44 H new ATOM 0 HA LYS A 56 12.275 6.785 16.522 1.00 0.45 H new ATOM 0 HB2 LYS A 56 14.846 7.059 14.900 1.00 0.47 H new ATOM 0 HB3 LYS A 56 13.595 5.849 14.701 1.00 0.47 H new ATOM 0 HG2 LYS A 56 13.011 8.829 14.381 1.00 0.48 H new ATOM 0 HG3 LYS A 56 13.571 7.849 13.040 1.00 0.48 H new ATOM 0 HD2 LYS A 56 11.629 6.253 13.467 1.00 1.20 H new ATOM 0 HD3 LYS A 56 11.043 7.355 14.696 1.00 1.20 H new ATOM 0 HE2 LYS A 56 11.340 9.148 12.668 1.00 1.29 H new ATOM 0 HE3 LYS A 56 11.098 7.706 11.701 1.00 1.29 H new ATOM 0 HZ1 LYS A 56 8.987 8.772 12.228 1.00 1.39 H new ATOM 0 HZ2 LYS A 56 9.062 7.240 12.956 1.00 1.39 H new ATOM 0 HZ3 LYS A 56 9.296 8.636 13.892 1.00 1.39 H new ATOM 910 N PRO A 57 13.910 6.393 18.649 1.00 0.44 N ATOM 911 CA PRO A 57 14.742 5.717 19.696 1.00 0.46 C ATOM 912 C PRO A 57 14.861 4.208 19.486 1.00 0.42 C ATOM 913 O PRO A 57 15.628 3.552 20.163 1.00 0.44 O ATOM 914 CB PRO A 57 14.021 6.023 21.013 1.00 0.47 C ATOM 915 CG PRO A 57 12.628 6.407 20.629 1.00 0.45 C ATOM 916 CD PRO A 57 12.714 7.021 19.232 1.00 0.43 C ATOM 0 HA PRO A 57 15.769 6.082 19.671 1.00 0.46 H new ATOM 0 HB2 PRO A 57 14.021 5.154 21.671 1.00 0.47 H new ATOM 0 HB3 PRO A 57 14.516 6.831 21.552 1.00 0.47 H new ATOM 0 HG2 PRO A 57 11.972 5.537 20.630 1.00 0.45 H new ATOM 0 HG3 PRO A 57 12.212 7.120 21.341 1.00 0.45 H new ATOM 0 HD2 PRO A 57 11.822 6.806 18.644 1.00 0.43 H new ATOM 0 HD3 PRO A 57 12.812 8.106 19.276 1.00 0.43 H new ATOM 924 N HIS A 58 14.138 3.641 18.557 1.00 0.40 N ATOM 925 CA HIS A 58 14.271 2.166 18.343 1.00 0.41 C ATOM 926 C HIS A 58 15.063 1.918 17.057 1.00 0.43 C ATOM 927 O HIS A 58 14.510 1.900 15.976 1.00 0.43 O ATOM 928 CB HIS A 58 12.885 1.539 18.233 1.00 0.43 C ATOM 929 CG HIS A 58 12.077 1.880 19.453 1.00 0.44 C ATOM 930 ND1 HIS A 58 12.095 1.095 20.595 1.00 0.47 N ATOM 931 CD2 HIS A 58 11.217 2.915 19.722 1.00 0.50 C ATOM 932 CE1 HIS A 58 11.269 1.665 21.491 1.00 0.52 C ATOM 933 NE2 HIS A 58 10.707 2.778 21.009 1.00 0.54 N ATOM 0 H HIS A 58 13.475 4.120 17.948 1.00 0.40 H new ATOM 0 HA HIS A 58 14.796 1.715 19.185 1.00 0.41 H new ATOM 0 HB2 HIS A 58 12.381 1.903 17.338 1.00 0.43 H new ATOM 0 HB3 HIS A 58 12.972 0.457 18.133 1.00 0.43 H new ATOM 0 HD2 HIS A 58 10.973 3.715 19.038 1.00 0.50 H new ATOM 0 HE1 HIS A 58 11.083 1.271 22.479 1.00 0.52 H new ATOM 0 HE2 HIS A 58 10.046 3.394 21.483 1.00 0.54 H new ATOM 941 N LYS A 59 16.358 1.756 17.156 1.00 0.48 N ATOM 942 CA LYS A 59 17.176 1.540 15.935 1.00 0.53 C ATOM 943 C LYS A 59 17.377 0.049 15.675 1.00 0.57 C ATOM 944 O LYS A 59 17.909 -0.669 16.499 1.00 0.61 O ATOM 945 CB LYS A 59 18.550 2.181 16.127 1.00 0.62 C ATOM 946 CG LYS A 59 18.395 3.650 16.514 1.00 0.67 C ATOM 947 CD LYS A 59 19.770 4.227 16.853 1.00 0.96 C ATOM 948 CE LYS A 59 19.639 5.710 17.195 1.00 1.17 C ATOM 949 NZ LYS A 59 20.970 6.235 17.608 1.00 1.34 N ATOM 0 H LYS A 59 16.880 1.765 18.032 1.00 0.48 H new ATOM 0 HA LYS A 59 16.654 1.988 15.089 1.00 0.53 H new ATOM 0 HB2 LYS A 59 19.103 1.649 16.902 1.00 0.62 H new ATOM 0 HB3 LYS A 59 19.130 2.098 15.208 1.00 0.62 H new ATOM 0 HG2 LYS A 59 17.945 4.209 15.694 1.00 0.67 H new ATOM 0 HG3 LYS A 59 17.726 3.745 17.370 1.00 0.67 H new ATOM 0 HD2 LYS A 59 20.204 3.687 17.695 1.00 0.96 H new ATOM 0 HD3 LYS A 59 20.447 4.098 16.009 1.00 0.96 H new ATOM 0 HE2 LYS A 59 19.268 6.263 16.332 1.00 1.17 H new ATOM 0 HE3 LYS A 59 18.915 5.848 17.998 1.00 1.17 H new ATOM 0 HZ1 LYS A 59 20.887 7.245 17.842 1.00 1.34 H new ATOM 0 HZ2 LYS A 59 21.306 5.712 18.442 1.00 1.34 H new ATOM 0 HZ3 LYS A 59 21.648 6.115 16.828 1.00 1.34 H new ATOM 963 N CYS A 60 17.003 -0.413 14.520 1.00 0.60 N ATOM 964 CA CYS A 60 17.230 -1.851 14.203 1.00 0.67 C ATOM 965 C CYS A 60 18.666 -1.989 13.689 1.00 0.77 C ATOM 966 O CYS A 60 19.031 -1.430 12.670 1.00 0.80 O ATOM 967 CB CYS A 60 16.242 -2.363 13.139 1.00 0.65 C ATOM 968 SG CYS A 60 17.130 -3.487 12.032 1.00 0.76 S ATOM 0 H CYS A 60 16.554 0.134 13.786 1.00 0.60 H new ATOM 0 HA CYS A 60 17.072 -2.449 15.100 1.00 0.67 H new ATOM 0 HB2 CYS A 60 15.407 -2.878 13.613 1.00 0.65 H new ATOM 0 HB3 CYS A 60 15.823 -1.528 12.577 1.00 0.65 H new ATOM 973 N GLN A 61 19.463 -2.756 14.376 1.00 0.84 N ATOM 974 CA GLN A 61 20.885 -2.983 13.970 1.00 0.95 C ATOM 975 C GLN A 61 21.005 -3.911 12.782 1.00 0.99 C ATOM 976 O GLN A 61 22.046 -3.965 12.157 1.00 1.07 O ATOM 977 CB GLN A 61 21.617 -3.736 15.080 1.00 1.05 C ATOM 978 CG GLN A 61 21.160 -3.277 16.453 1.00 0.97 C ATOM 979 CD GLN A 61 21.281 -1.763 16.557 1.00 0.99 C ATOM 980 OE1 GLN A 61 22.283 -1.192 16.174 1.00 1.03 O ATOM 981 NE2 GLN A 61 20.293 -1.086 17.063 1.00 1.39 N ATOM 0 H GLN A 61 19.185 -3.249 15.224 1.00 0.84 H new ATOM 0 HA GLN A 61 21.291 -1.995 13.750 1.00 0.95 H new ATOM 0 HB2 GLN A 61 21.439 -4.806 14.974 1.00 1.05 H new ATOM 0 HB3 GLN A 61 22.691 -3.580 14.981 1.00 1.05 H new ATOM 0 HG2 GLN A 61 20.127 -3.581 16.623 1.00 0.97 H new ATOM 0 HG3 GLN A 61 21.764 -3.753 17.225 1.00 0.97 H new ATOM 0 HE21 GLN A 61 19.454 -1.570 17.383 1.00 1.39 H new ATOM 0 HE22 GLN A 61 20.357 -0.071 17.140 1.00 1.39 H new ATOM 990 N VAL A 62 20.003 -4.645 12.437 1.00 0.94 N ATOM 991 CA VAL A 62 20.153 -5.573 11.304 1.00 0.98 C ATOM 992 C VAL A 62 20.268 -4.831 9.993 1.00 0.95 C ATOM 993 O VAL A 62 21.198 -5.028 9.238 1.00 1.04 O ATOM 994 CB VAL A 62 18.912 -6.447 11.280 1.00 0.97 C ATOM 995 CG1 VAL A 62 19.044 -7.521 10.197 1.00 1.03 C ATOM 996 CG2 VAL A 62 18.759 -7.101 12.656 1.00 1.03 C ATOM 0 H VAL A 62 19.088 -4.644 12.888 1.00 0.94 H new ATOM 0 HA VAL A 62 21.062 -6.161 11.427 1.00 0.98 H new ATOM 0 HB VAL A 62 18.034 -5.843 11.054 1.00 0.97 H new ATOM 0 HG11 VAL A 62 18.148 -8.142 10.189 1.00 1.03 H new ATOM 0 HG12 VAL A 62 19.164 -7.044 9.224 1.00 1.03 H new ATOM 0 HG13 VAL A 62 19.915 -8.143 10.406 1.00 1.03 H new ATOM 0 HG21 VAL A 62 17.872 -7.734 12.661 1.00 1.03 H new ATOM 0 HG22 VAL A 62 19.639 -7.707 12.871 1.00 1.03 H new ATOM 0 HG23 VAL A 62 18.657 -6.327 13.417 1.00 1.03 H new ATOM 1006 N CYS A 63 19.311 -4.008 9.691 1.00 0.86 N ATOM 1007 CA CYS A 63 19.352 -3.293 8.395 1.00 0.84 C ATOM 1008 C CYS A 63 19.577 -1.789 8.608 1.00 0.81 C ATOM 1009 O CYS A 63 19.701 -1.038 7.665 1.00 0.92 O ATOM 1010 CB CYS A 63 18.057 -3.579 7.621 1.00 0.80 C ATOM 1011 SG CYS A 63 16.638 -2.739 8.365 1.00 0.70 S ATOM 0 H CYS A 63 18.506 -3.800 10.282 1.00 0.86 H new ATOM 0 HA CYS A 63 20.193 -3.653 7.803 1.00 0.84 H new ATOM 0 HB2 CYS A 63 18.171 -3.255 6.587 1.00 0.80 H new ATOM 0 HB3 CYS A 63 17.875 -4.653 7.600 1.00 0.80 H new ATOM 1016 N GLY A 64 19.696 -1.351 9.833 1.00 0.74 N ATOM 1017 CA GLY A 64 19.985 0.098 10.080 1.00 0.74 C ATOM 1018 C GLY A 64 18.752 0.987 9.871 1.00 0.65 C ATOM 1019 O GLY A 64 18.882 2.141 9.518 1.00 0.66 O ATOM 0 H GLY A 64 19.607 -1.927 10.670 1.00 0.74 H new ATOM 0 HA2 GLY A 64 20.351 0.224 11.099 1.00 0.74 H new ATOM 0 HA3 GLY A 64 20.782 0.425 9.412 1.00 0.74 H new ATOM 1023 N LYS A 65 17.573 0.503 10.135 1.00 0.60 N ATOM 1024 CA LYS A 65 16.358 1.369 10.000 1.00 0.55 C ATOM 1025 C LYS A 65 15.972 1.788 11.421 1.00 0.53 C ATOM 1026 O LYS A 65 16.528 1.289 12.378 1.00 0.56 O ATOM 1027 CB LYS A 65 15.214 0.584 9.341 1.00 0.54 C ATOM 1028 CG LYS A 65 14.366 1.507 8.451 1.00 0.67 C ATOM 1029 CD LYS A 65 13.359 0.660 7.661 1.00 0.62 C ATOM 1030 CE LYS A 65 12.781 1.476 6.501 1.00 1.06 C ATOM 1031 NZ LYS A 65 11.934 0.592 5.646 1.00 1.67 N ATOM 0 H LYS A 65 17.392 -0.454 10.439 1.00 0.60 H new ATOM 0 HA LYS A 65 16.556 2.238 9.372 1.00 0.55 H new ATOM 0 HB2 LYS A 65 15.622 -0.231 8.744 1.00 0.54 H new ATOM 0 HB3 LYS A 65 14.586 0.133 10.109 1.00 0.54 H new ATOM 0 HG2 LYS A 65 13.841 2.241 9.063 1.00 0.67 H new ATOM 0 HG3 LYS A 65 15.008 2.063 7.767 1.00 0.67 H new ATOM 0 HD2 LYS A 65 13.847 -0.236 7.278 1.00 0.62 H new ATOM 0 HD3 LYS A 65 12.555 0.329 8.319 1.00 0.62 H new ATOM 0 HE2 LYS A 65 12.187 2.305 6.886 1.00 1.06 H new ATOM 0 HE3 LYS A 65 13.587 1.909 5.909 1.00 1.06 H new ATOM 0 HZ1 LYS A 65 12.140 0.778 4.644 1.00 1.67 H new ATOM 0 HZ2 LYS A 65 12.142 -0.404 5.863 1.00 1.67 H new ATOM 0 HZ3 LYS A 65 10.930 0.785 5.835 1.00 1.67 H new ATOM 1045 N ALA A 66 15.077 2.729 11.590 1.00 0.51 N ATOM 1046 CA ALA A 66 14.737 3.182 12.978 1.00 0.52 C ATOM 1047 C ALA A 66 13.230 3.405 13.124 1.00 0.44 C ATOM 1048 O ALA A 66 12.536 3.719 12.177 1.00 0.49 O ATOM 1049 CB ALA A 66 15.484 4.481 13.271 1.00 0.60 C ATOM 0 H ALA A 66 14.572 3.199 10.839 1.00 0.51 H new ATOM 0 HA ALA A 66 15.036 2.410 13.688 1.00 0.52 H new ATOM 0 HB1 ALA A 66 15.244 4.820 14.279 1.00 0.60 H new ATOM 0 HB2 ALA A 66 16.557 4.309 13.192 1.00 0.60 H new ATOM 0 HB3 ALA A 66 15.185 5.243 12.551 1.00 0.60 H new ATOM 1055 N PHE A 67 12.722 3.187 14.313 1.00 0.39 N ATOM 1056 CA PHE A 67 11.253 3.323 14.546 1.00 0.40 C ATOM 1057 C PHE A 67 10.923 4.122 15.801 1.00 0.39 C ATOM 1058 O PHE A 67 11.655 4.128 16.775 1.00 0.38 O ATOM 1059 CB PHE A 67 10.694 1.925 14.716 1.00 0.51 C ATOM 1060 CG PHE A 67 11.228 1.096 13.594 1.00 0.47 C ATOM 1061 CD1 PHE A 67 10.569 1.086 12.366 1.00 0.54 C ATOM 1062 CD2 PHE A 67 12.404 0.370 13.772 1.00 0.46 C ATOM 1063 CE1 PHE A 67 11.085 0.339 11.311 1.00 0.54 C ATOM 1064 CE2 PHE A 67 12.924 -0.373 12.716 1.00 0.47 C ATOM 1065 CZ PHE A 67 12.265 -0.389 11.486 1.00 0.47 C ATOM 0 H PHE A 67 13.265 2.920 15.134 1.00 0.39 H new ATOM 0 HA PHE A 67 10.820 3.855 13.699 1.00 0.40 H new ATOM 0 HB2 PHE A 67 10.990 1.507 15.678 1.00 0.51 H new ATOM 0 HB3 PHE A 67 9.604 1.942 14.697 1.00 0.51 H new ATOM 0 HD1 PHE A 67 9.661 1.656 12.233 1.00 0.54 H new ATOM 0 HD2 PHE A 67 12.910 0.384 14.726 1.00 0.46 H new ATOM 0 HE1 PHE A 67 10.575 0.322 10.359 1.00 0.54 H new ATOM 0 HE2 PHE A 67 13.836 -0.936 12.848 1.00 0.47 H new ATOM 0 HZ PHE A 67 12.668 -0.966 10.667 1.00 0.47 H new ATOM 1075 N SER A 68 9.786 4.765 15.781 1.00 0.43 N ATOM 1076 CA SER A 68 9.336 5.544 16.960 1.00 0.45 C ATOM 1077 C SER A 68 8.749 4.599 18.012 1.00 0.45 C ATOM 1078 O SER A 68 8.752 4.905 19.191 1.00 0.53 O ATOM 1079 CB SER A 68 8.243 6.523 16.535 1.00 0.54 C ATOM 1080 OG SER A 68 7.147 5.797 15.992 1.00 0.64 O ATOM 0 H SER A 68 9.146 4.781 14.987 1.00 0.43 H new ATOM 0 HA SER A 68 10.189 6.082 17.374 1.00 0.45 H new ATOM 0 HB2 SER A 68 7.915 7.113 17.390 1.00 0.54 H new ATOM 0 HB3 SER A 68 8.633 7.223 15.796 1.00 0.54 H new ATOM 0 HG SER A 68 6.443 6.422 15.720 1.00 0.64 H new ATOM 1086 N GLN A 69 8.215 3.462 17.609 1.00 0.57 N ATOM 1087 CA GLN A 69 7.602 2.542 18.623 1.00 0.61 C ATOM 1088 C GLN A 69 8.348 1.209 18.682 1.00 0.60 C ATOM 1089 O GLN A 69 8.726 0.639 17.671 1.00 0.61 O ATOM 1090 CB GLN A 69 6.140 2.261 18.251 1.00 0.70 C ATOM 1091 CG GLN A 69 5.560 3.435 17.468 1.00 0.94 C ATOM 1092 CD GLN A 69 4.034 3.331 17.463 1.00 1.50 C ATOM 1093 OE1 GLN A 69 3.486 2.269 17.686 1.00 2.25 O ATOM 1094 NE2 GLN A 69 3.319 4.393 17.217 1.00 1.99 N ATOM 0 H GLN A 69 8.178 3.139 16.642 1.00 0.57 H new ATOM 0 HA GLN A 69 7.664 3.030 19.595 1.00 0.61 H new ATOM 0 HB2 GLN A 69 6.077 1.351 17.655 1.00 0.70 H new ATOM 0 HB3 GLN A 69 5.554 2.092 19.154 1.00 0.70 H new ATOM 0 HG2 GLN A 69 5.871 4.377 17.919 1.00 0.94 H new ATOM 0 HG3 GLN A 69 5.940 3.430 16.446 1.00 0.94 H new ATOM 0 HE21 GLN A 69 3.778 5.285 17.030 1.00 1.99 H new ATOM 0 HE22 GLN A 69 2.301 4.332 17.212 1.00 1.99 H new ATOM 1103 N SER A 70 8.530 0.683 19.859 1.00 0.61 N ATOM 1104 CA SER A 70 9.211 -0.627 19.971 1.00 0.64 C ATOM 1105 C SER A 70 8.342 -1.676 19.287 1.00 0.67 C ATOM 1106 O SER A 70 8.815 -2.471 18.523 1.00 0.71 O ATOM 1107 CB SER A 70 9.398 -1.008 21.438 1.00 0.69 C ATOM 1108 OG SER A 70 10.681 -1.598 21.605 1.00 0.82 O ATOM 0 H SER A 70 8.238 1.103 20.741 1.00 0.61 H new ATOM 0 HA SER A 70 10.192 -0.570 19.499 1.00 0.64 H new ATOM 0 HB2 SER A 70 9.305 -0.125 22.071 1.00 0.69 H new ATOM 0 HB3 SER A 70 8.620 -1.706 21.748 1.00 0.69 H new ATOM 0 HG SER A 70 10.649 -2.248 22.337 1.00 0.82 H new ATOM 1114 N SER A 71 7.065 -1.659 19.541 1.00 0.69 N ATOM 1115 CA SER A 71 6.165 -2.649 18.894 1.00 0.75 C ATOM 1116 C SER A 71 6.436 -2.658 17.399 1.00 0.73 C ATOM 1117 O SER A 71 6.391 -3.692 16.763 1.00 0.78 O ATOM 1118 CB SER A 71 4.708 -2.277 19.140 1.00 0.80 C ATOM 1119 OG SER A 71 3.901 -2.912 18.156 1.00 0.99 O ATOM 0 H SER A 71 6.605 -1.001 20.170 1.00 0.69 H new ATOM 0 HA SER A 71 6.353 -3.636 19.317 1.00 0.75 H new ATOM 0 HB2 SER A 71 4.402 -2.590 20.138 1.00 0.80 H new ATOM 0 HB3 SER A 71 4.581 -1.195 19.092 1.00 0.80 H new ATOM 0 HG SER A 71 2.976 -2.966 18.476 1.00 0.99 H new ATOM 1125 N ASN A 72 6.734 -1.531 16.819 1.00 0.67 N ATOM 1126 CA ASN A 72 7.021 -1.538 15.365 1.00 0.66 C ATOM 1127 C ASN A 72 8.413 -2.135 15.183 1.00 0.64 C ATOM 1128 O ASN A 72 8.683 -2.823 14.218 1.00 0.67 O ATOM 1129 CB ASN A 72 6.938 -0.114 14.800 1.00 0.63 C ATOM 1130 CG ASN A 72 5.485 0.376 14.880 1.00 0.67 C ATOM 1131 OD1 ASN A 72 4.698 -0.149 15.643 1.00 0.79 O ATOM 1132 ND2 ASN A 72 5.092 1.364 14.122 1.00 0.84 N ATOM 0 H ASN A 72 6.790 -0.623 17.280 1.00 0.67 H new ATOM 0 HA ASN A 72 6.289 -2.135 14.821 1.00 0.66 H new ATOM 0 HB2 ASN A 72 7.591 0.552 15.364 1.00 0.63 H new ATOM 0 HB3 ASN A 72 7.283 -0.099 13.766 1.00 0.63 H new ATOM 0 HD21 ASN A 72 4.128 1.692 14.172 1.00 0.84 H new ATOM 0 HD22 ASN A 72 5.749 1.807 13.480 1.00 0.84 H new ATOM 1139 N LEU A 73 9.285 -1.935 16.144 1.00 0.62 N ATOM 1140 CA LEU A 73 10.635 -2.557 16.050 1.00 0.63 C ATOM 1141 C LEU A 73 10.464 -4.056 16.307 1.00 0.71 C ATOM 1142 O LEU A 73 10.840 -4.857 15.498 1.00 0.74 O ATOM 1143 CB LEU A 73 11.594 -1.942 17.077 1.00 0.63 C ATOM 1144 CG LEU A 73 12.905 -2.744 17.127 1.00 0.67 C ATOM 1145 CD1 LEU A 73 13.649 -2.625 15.792 1.00 0.65 C ATOM 1146 CD2 LEU A 73 13.793 -2.201 18.252 1.00 0.76 C ATOM 0 H LEU A 73 9.118 -1.373 16.979 1.00 0.62 H new ATOM 0 HA LEU A 73 11.065 -2.381 15.064 1.00 0.63 H new ATOM 0 HB2 LEU A 73 11.803 -0.905 16.814 1.00 0.63 H new ATOM 0 HB3 LEU A 73 11.127 -1.933 18.062 1.00 0.63 H new ATOM 0 HG LEU A 73 12.672 -3.792 17.313 1.00 0.67 H new ATOM 0 HD11 LEU A 73 14.576 -3.197 15.840 1.00 0.65 H new ATOM 0 HD12 LEU A 73 13.022 -3.015 14.990 1.00 0.65 H new ATOM 0 HD13 LEU A 73 13.879 -1.578 15.596 1.00 0.65 H new ATOM 0 HD21 LEU A 73 14.723 -2.769 18.288 1.00 0.76 H new ATOM 0 HD22 LEU A 73 14.017 -1.151 18.064 1.00 0.76 H new ATOM 0 HD23 LEU A 73 13.272 -2.296 19.205 1.00 0.76 H new ATOM 1158 N ILE A 74 9.871 -4.449 17.399 1.00 0.77 N ATOM 1159 CA ILE A 74 9.657 -5.901 17.643 1.00 0.86 C ATOM 1160 C ILE A 74 9.125 -6.536 16.360 1.00 0.88 C ATOM 1161 O ILE A 74 9.636 -7.534 15.899 1.00 0.92 O ATOM 1162 CB ILE A 74 8.634 -6.084 18.774 1.00 0.92 C ATOM 1163 CG1 ILE A 74 9.230 -5.569 20.089 1.00 0.94 C ATOM 1164 CG2 ILE A 74 8.286 -7.568 18.927 1.00 1.02 C ATOM 1165 CD1 ILE A 74 8.114 -5.324 21.108 1.00 1.00 C ATOM 0 H ILE A 74 9.526 -3.829 18.131 1.00 0.77 H new ATOM 0 HA ILE A 74 10.595 -6.376 17.931 1.00 0.86 H new ATOM 0 HB ILE A 74 7.731 -5.524 18.532 1.00 0.92 H new ATOM 0 HG12 ILE A 74 9.942 -6.294 20.484 1.00 0.94 H new ATOM 0 HG13 ILE A 74 9.781 -4.645 19.911 1.00 0.94 H new ATOM 0 HG21 ILE A 74 7.560 -7.690 19.731 1.00 1.02 H new ATOM 0 HG22 ILE A 74 7.861 -7.940 17.995 1.00 1.02 H new ATOM 0 HG23 ILE A 74 9.189 -8.131 19.165 1.00 1.02 H new ATOM 0 HD11 ILE A 74 8.546 -4.958 22.040 1.00 1.00 H new ATOM 0 HD12 ILE A 74 7.419 -4.583 20.715 1.00 1.00 H new ATOM 0 HD13 ILE A 74 7.582 -6.257 21.296 1.00 1.00 H new ATOM 1177 N THR A 75 8.096 -5.982 15.778 1.00 0.86 N ATOM 1178 CA THR A 75 7.560 -6.594 14.531 1.00 0.88 C ATOM 1179 C THR A 75 8.633 -6.547 13.443 1.00 0.84 C ATOM 1180 O THR A 75 8.871 -7.509 12.736 1.00 0.88 O ATOM 1181 CB THR A 75 6.328 -5.828 14.054 1.00 0.89 C ATOM 1182 OG1 THR A 75 5.294 -5.952 15.021 1.00 0.96 O ATOM 1183 CG2 THR A 75 5.864 -6.419 12.720 1.00 0.95 C ATOM 0 H THR A 75 7.611 -5.147 16.106 1.00 0.86 H new ATOM 0 HA THR A 75 7.281 -7.628 14.735 1.00 0.88 H new ATOM 0 HB THR A 75 6.570 -4.773 13.923 1.00 0.89 H new ATOM 0 HG1 THR A 75 5.440 -5.303 15.741 1.00 0.96 H new ATOM 0 HG21 THR A 75 4.984 -5.880 12.369 1.00 0.95 H new ATOM 0 HG22 THR A 75 6.663 -6.328 11.984 1.00 0.95 H new ATOM 0 HG23 THR A 75 5.614 -7.471 12.855 1.00 0.95 H new ATOM 1191 N HIS A 76 9.268 -5.421 13.301 1.00 0.77 N ATOM 1192 CA HIS A 76 10.319 -5.265 12.263 1.00 0.73 C ATOM 1193 C HIS A 76 11.464 -6.275 12.527 1.00 0.78 C ATOM 1194 O HIS A 76 11.960 -6.951 11.628 1.00 0.80 O ATOM 1195 CB HIS A 76 10.805 -3.811 12.351 1.00 0.65 C ATOM 1196 CG HIS A 76 11.980 -3.601 11.469 1.00 0.62 C ATOM 1197 ND1 HIS A 76 11.887 -2.966 10.224 1.00 0.58 N ATOM 1198 CD2 HIS A 76 13.279 -3.977 11.611 1.00 0.65 C ATOM 1199 CE1 HIS A 76 13.117 -2.997 9.669 1.00 0.58 C ATOM 1200 NE2 HIS A 76 13.964 -3.594 10.490 1.00 0.63 N ATOM 0 H HIS A 76 9.101 -4.590 13.869 1.00 0.77 H new ATOM 0 HA HIS A 76 9.943 -5.471 11.261 1.00 0.73 H new ATOM 0 HB2 HIS A 76 10.001 -3.134 12.062 1.00 0.65 H new ATOM 0 HB3 HIS A 76 11.069 -3.571 13.381 1.00 0.65 H new ATOM 0 HD1 HIS A 76 11.047 -2.557 9.814 1.00 0.58 H new ATOM 0 HD2 HIS A 76 13.699 -4.491 12.463 1.00 0.65 H new ATOM 0 HE1 HIS A 76 13.371 -2.594 8.700 1.00 0.58 H new ATOM 1208 N SER A 77 11.861 -6.413 13.764 1.00 0.81 N ATOM 1209 CA SER A 77 12.928 -7.385 14.105 1.00 0.88 C ATOM 1210 C SER A 77 12.373 -8.788 13.917 1.00 0.96 C ATOM 1211 O SER A 77 13.080 -9.699 13.541 1.00 1.01 O ATOM 1212 CB SER A 77 13.366 -7.188 15.555 1.00 0.92 C ATOM 1213 OG SER A 77 14.313 -8.193 15.893 1.00 1.34 O ATOM 0 H SER A 77 11.487 -5.888 14.555 1.00 0.81 H new ATOM 0 HA SER A 77 13.793 -7.235 13.459 1.00 0.88 H new ATOM 0 HB2 SER A 77 13.805 -6.199 15.685 1.00 0.92 H new ATOM 0 HB3 SER A 77 12.504 -7.244 16.220 1.00 0.92 H new ATOM 0 HG SER A 77 14.600 -8.072 16.822 1.00 1.34 H new ATOM 1219 N ARG A 78 11.097 -8.972 14.160 1.00 0.97 N ATOM 1220 CA ARG A 78 10.512 -10.317 13.957 1.00 1.06 C ATOM 1221 C ARG A 78 10.655 -10.635 12.484 1.00 1.03 C ATOM 1222 O ARG A 78 10.842 -11.772 12.095 1.00 1.09 O ATOM 1223 CB ARG A 78 9.032 -10.327 14.347 1.00 1.10 C ATOM 1224 CG ARG A 78 8.891 -10.492 15.863 1.00 1.18 C ATOM 1225 CD ARG A 78 7.405 -10.496 16.228 1.00 1.23 C ATOM 1226 NE ARG A 78 7.251 -10.553 17.707 1.00 1.33 N ATOM 1227 CZ ARG A 78 6.056 -10.578 18.233 1.00 1.72 C ATOM 1228 NH1 ARG A 78 5.004 -10.549 17.461 1.00 2.01 N ATOM 1229 NH2 ARG A 78 5.913 -10.633 19.528 1.00 2.35 N ATOM 0 H ARG A 78 10.450 -8.254 14.486 1.00 0.97 H new ATOM 0 HA ARG A 78 11.021 -11.055 14.577 1.00 1.06 H new ATOM 0 HB2 ARG A 78 8.557 -9.399 14.028 1.00 1.10 H new ATOM 0 HB3 ARG A 78 8.518 -11.140 13.835 1.00 1.10 H new ATOM 0 HG2 ARG A 78 9.360 -11.421 16.186 1.00 1.18 H new ATOM 0 HG3 ARG A 78 9.403 -9.680 16.379 1.00 1.18 H new ATOM 0 HD2 ARG A 78 6.922 -9.600 15.837 1.00 1.23 H new ATOM 0 HD3 ARG A 78 6.910 -11.351 15.768 1.00 1.23 H new ATOM 0 HE ARG A 78 8.075 -10.572 18.307 1.00 1.33 H new ATOM 0 HH11 ARG A 78 5.116 -10.507 16.448 1.00 2.01 H new ATOM 0 HH12 ARG A 78 4.070 -10.569 17.871 1.00 2.01 H new ATOM 0 HH21 ARG A 78 6.735 -10.657 20.131 1.00 2.35 H new ATOM 0 HH22 ARG A 78 4.979 -10.652 19.938 1.00 2.35 H new ATOM 1243 N LYS A 79 10.599 -9.637 11.647 1.00 0.94 N ATOM 1244 CA LYS A 79 10.769 -9.925 10.205 1.00 0.91 C ATOM 1245 C LYS A 79 12.200 -10.414 10.006 1.00 0.93 C ATOM 1246 O LYS A 79 12.433 -11.387 9.315 1.00 0.95 O ATOM 1247 CB LYS A 79 10.487 -8.680 9.338 1.00 0.83 C ATOM 1248 CG LYS A 79 9.266 -8.934 8.426 1.00 0.92 C ATOM 1249 CD LYS A 79 7.998 -8.365 9.076 1.00 0.88 C ATOM 1250 CE LYS A 79 6.757 -9.000 8.439 1.00 1.21 C ATOM 1251 NZ LYS A 79 6.546 -10.362 9.006 1.00 1.76 N ATOM 0 H LYS A 79 10.447 -8.659 11.894 1.00 0.94 H new ATOM 0 HA LYS A 79 10.054 -10.685 9.890 1.00 0.91 H new ATOM 0 HB2 LYS A 79 10.300 -7.817 9.977 1.00 0.83 H new ATOM 0 HB3 LYS A 79 11.361 -8.444 8.731 1.00 0.83 H new ATOM 0 HG2 LYS A 79 9.426 -8.469 7.453 1.00 0.92 H new ATOM 0 HG3 LYS A 79 9.147 -10.004 8.253 1.00 0.92 H new ATOM 0 HD2 LYS A 79 8.008 -8.562 10.148 1.00 0.88 H new ATOM 0 HD3 LYS A 79 7.969 -7.283 8.951 1.00 0.88 H new ATOM 0 HE2 LYS A 79 5.882 -8.378 8.625 1.00 1.21 H new ATOM 0 HE3 LYS A 79 6.881 -9.060 7.358 1.00 1.21 H new ATOM 0 HZ1 LYS A 79 5.598 -10.703 8.747 1.00 1.76 H new ATOM 0 HZ2 LYS A 79 7.264 -11.011 8.625 1.00 1.76 H new ATOM 0 HZ3 LYS A 79 6.629 -10.323 10.042 1.00 1.76 H new ATOM 1265 N HIS A 80 13.169 -9.782 10.620 1.00 0.94 N ATOM 1266 CA HIS A 80 14.569 -10.292 10.443 1.00 0.99 C ATOM 1267 C HIS A 80 14.694 -11.678 11.086 1.00 1.09 C ATOM 1268 O HIS A 80 15.466 -12.507 10.644 1.00 1.12 O ATOM 1269 CB HIS A 80 15.589 -9.393 11.138 1.00 0.99 C ATOM 1270 CG HIS A 80 15.725 -8.078 10.441 1.00 0.91 C ATOM 1271 ND1 HIS A 80 15.975 -7.946 9.067 1.00 0.92 N ATOM 1272 CD2 HIS A 80 15.670 -6.815 10.936 1.00 0.84 C ATOM 1273 CE1 HIS A 80 16.053 -6.619 8.798 1.00 0.86 C ATOM 1274 NE2 HIS A 80 15.883 -5.925 9.912 1.00 0.80 N ATOM 0 H HIS A 80 13.062 -8.962 11.217 1.00 0.94 H new ATOM 0 HA HIS A 80 14.767 -10.318 9.371 1.00 0.99 H new ATOM 0 HB2 HIS A 80 15.286 -9.228 12.172 1.00 0.99 H new ATOM 0 HB3 HIS A 80 16.557 -9.893 11.166 1.00 0.99 H new ATOM 0 HD1 HIS A 80 16.079 -8.707 8.395 1.00 0.92 H new ATOM 0 HD2 HIS A 80 15.488 -6.553 11.968 1.00 0.84 H new ATOM 0 HE1 HIS A 80 16.228 -6.193 7.821 1.00 0.86 H new ATOM 1282 N THR A 81 13.980 -11.916 12.161 1.00 1.15 N ATOM 1283 CA THR A 81 14.103 -13.231 12.868 1.00 1.25 C ATOM 1284 C THR A 81 12.914 -14.143 12.555 1.00 1.41 C ATOM 1285 O THR A 81 12.694 -15.123 13.235 1.00 1.57 O ATOM 1286 CB THR A 81 14.131 -12.989 14.380 1.00 1.34 C ATOM 1287 OG1 THR A 81 13.086 -12.093 14.724 1.00 1.31 O ATOM 1288 CG2 THR A 81 15.472 -12.389 14.799 1.00 1.44 C ATOM 0 H THR A 81 13.320 -11.260 12.578 1.00 1.15 H new ATOM 0 HA THR A 81 15.021 -13.711 12.529 1.00 1.25 H new ATOM 0 HB THR A 81 13.996 -13.939 14.896 1.00 1.34 H new ATOM 0 HG1 THR A 81 13.364 -11.174 14.526 1.00 1.31 H new ATOM 0 HG21 THR A 81 15.476 -12.223 15.876 1.00 1.44 H new ATOM 0 HG22 THR A 81 16.276 -13.076 14.535 1.00 1.44 H new ATOM 0 HG23 THR A 81 15.622 -11.440 14.285 1.00 1.44 H new ATOM 1296 N GLY A 82 12.162 -13.868 11.530 1.00 1.40 N ATOM 1297 CA GLY A 82 11.017 -14.762 11.208 1.00 1.59 C ATOM 1298 C GLY A 82 10.257 -14.211 10.003 1.00 1.48 C ATOM 0 H GLY A 82 12.287 -13.071 10.906 1.00 1.40 H new ATOM 0 HA2 GLY A 82 11.378 -15.768 10.994 1.00 1.59 H new ATOM 0 HA3 GLY A 82 10.350 -14.839 12.067 1.00 1.59 H new TER 1302 GLY A 82 ATOM 1303 O5' DC B 101 1.028 -10.441 2.645 1.00 0.00 O ATOM 1304 C5' DC B 101 2.109 -11.009 1.899 1.00 0.00 C ATOM 1305 C4' DC B 101 3.339 -10.108 1.919 1.00 0.00 C ATOM 1306 O4' DC B 101 3.004 -8.837 1.343 1.00 0.00 O ATOM 1307 C3' DC B 101 3.893 -9.839 3.318 1.00 0.00 C ATOM 1308 O3' DC B 101 5.322 -9.802 3.269 1.00 0.00 O ATOM 1309 C2' DC B 101 3.346 -8.462 3.666 1.00 0.00 C ATOM 1310 C1' DC B 101 3.234 -7.798 2.300 1.00 0.00 C ATOM 1311 N1 DC B 101 2.112 -6.840 2.186 1.00 0.00 N ATOM 1312 C2 DC B 101 2.412 -5.525 1.852 1.00 0.00 C ATOM 1313 O2 DC B 101 3.578 -5.184 1.677 1.00 0.00 O ATOM 1314 N3 DC B 101 1.385 -4.641 1.728 1.00 0.00 N ATOM 1315 C4 DC B 101 0.118 -5.026 1.924 1.00 0.00 C ATOM 1316 N4 DC B 101 -0.862 -4.133 1.795 1.00 0.00 N ATOM 1317 C5 DC B 101 -0.197 -6.377 2.268 1.00 0.00 C ATOM 1318 C6 DC B 101 0.824 -7.247 2.388 1.00 0.00 C ATOM 0 H5' DC B 101 1.794 -11.173 0.868 1.00 0.00 H new ATOM 0 H5'' DC B 101 2.365 -11.984 2.313 1.00 0.00 H new ATOM 0 H4' DC B 101 4.104 -10.640 1.353 1.00 0.00 H new ATOM 0 H3' DC B 101 3.613 -10.601 4.046 1.00 0.00 H new ATOM 0 H2' DC B 101 2.380 -8.524 4.168 1.00 0.00 H new ATOM 0 H2'' DC B 101 4.016 -7.915 4.330 1.00 0.00 H new ATOM 0 HO5' DC B 101 0.255 -11.043 2.610 1.00 0.00 H new ATOM 0 H1' DC B 101 4.154 -7.238 2.135 1.00 0.00 H new ATOM 0 H41 DC B 101 -1.831 -4.415 1.942 1.00 0.00 H new ATOM 0 H42 DC B 101 -0.643 -3.168 1.549 1.00 0.00 H new ATOM 0 H5 DC B 101 -1.219 -6.689 2.426 1.00 0.00 H new ATOM 0 H6 DC B 101 0.622 -8.276 2.646 1.00 0.00 H new ATOM 1331 P DA B 102 6.185 -9.698 4.625 1.00 0.00 P ATOM 1332 OP1 DA B 102 7.510 -10.308 4.379 1.00 0.00 O ATOM 1333 OP2 DA B 102 5.347 -10.181 5.745 1.00 0.00 O ATOM 1334 O5' DA B 102 6.385 -8.109 4.795 1.00 0.00 O ATOM 1335 C5' DA B 102 7.347 -7.412 3.999 1.00 0.00 C ATOM 1336 C4' DA B 102 7.349 -5.917 4.303 1.00 0.00 C ATOM 1337 O4' DA B 102 6.058 -5.374 4.013 1.00 0.00 O ATOM 1338 C3' DA B 102 7.671 -5.568 5.764 1.00 0.00 C ATOM 1339 O3' DA B 102 8.850 -4.759 5.808 1.00 0.00 O ATOM 1340 C2' DA B 102 6.460 -4.762 6.245 1.00 0.00 C ATOM 1341 C1' DA B 102 5.803 -4.332 4.946 1.00 0.00 C ATOM 1342 N9 DA B 102 4.342 -4.156 5.036 1.00 0.00 N ATOM 1343 C8 DA B 102 3.388 -5.060 5.411 1.00 0.00 C ATOM 1344 N7 DA B 102 2.169 -4.612 5.392 1.00 0.00 N ATOM 1345 C5 DA B 102 2.324 -3.295 4.965 1.00 0.00 C ATOM 1346 C6 DA B 102 1.411 -2.261 4.731 1.00 0.00 C ATOM 1347 N6 DA B 102 0.096 -2.398 4.904 1.00 0.00 N ATOM 1348 N1 DA B 102 1.904 -1.082 4.313 1.00 0.00 N ATOM 1349 C2 DA B 102 3.216 -0.926 4.137 1.00 0.00 C ATOM 1350 N3 DA B 102 4.164 -1.837 4.329 1.00 0.00 N ATOM 1351 C4 DA B 102 3.643 -3.009 4.747 1.00 0.00 C ATOM 0 H5' DA B 102 7.129 -7.569 2.943 1.00 0.00 H new ATOM 0 H5'' DA B 102 8.340 -7.823 4.184 1.00 0.00 H new ATOM 0 H4' DA B 102 8.137 -5.494 3.680 1.00 0.00 H new ATOM 0 H3' DA B 102 7.850 -6.448 6.381 1.00 0.00 H new ATOM 0 H2' DA B 102 5.790 -5.366 6.857 1.00 0.00 H new ATOM 0 H2'' DA B 102 6.759 -3.906 6.850 1.00 0.00 H new ATOM 0 H1' DA B 102 6.213 -3.362 4.664 1.00 0.00 H new ATOM 0 H8 DA B 102 3.630 -6.072 5.702 1.00 0.00 H new ATOM 0 H61 DA B 102 -0.527 -1.612 4.719 1.00 0.00 H new ATOM 0 H62 DA B 102 -0.287 -3.289 5.221 1.00 0.00 H new ATOM 0 H2 DA B 102 3.544 0.047 3.802 1.00 0.00 H new ATOM 1363 P DT B 103 9.365 -4.120 7.196 1.00 0.00 P ATOM 1364 OP1 DT B 103 10.842 -4.029 7.145 1.00 0.00 O ATOM 1365 OP2 DT B 103 8.706 -4.838 8.309 1.00 0.00 O ATOM 1366 O5' DT B 103 8.765 -2.627 7.132 1.00 0.00 O ATOM 1367 C5' DT B 103 9.109 -1.762 6.047 1.00 0.00 C ATOM 1368 C4' DT B 103 8.302 -0.468 6.070 1.00 0.00 C ATOM 1369 O4' DT B 103 6.904 -0.770 6.112 1.00 0.00 O ATOM 1370 C3' DT B 103 8.589 0.451 7.273 1.00 0.00 C ATOM 1371 O3' DT B 103 9.114 1.700 6.798 1.00 0.00 O ATOM 1372 C2' DT B 103 7.219 0.674 7.910 1.00 0.00 C ATOM 1373 C1' DT B 103 6.284 0.316 6.776 1.00 0.00 C ATOM 1374 N1 DT B 103 4.933 -0.083 7.212 1.00 0.00 N ATOM 1375 C2 DT B 103 3.922 0.852 7.051 1.00 0.00 C ATOM 1376 O2 DT B 103 4.121 1.942 6.519 1.00 0.00 O ATOM 1377 N3 DT B 103 2.675 0.490 7.521 1.00 0.00 N ATOM 1378 C4 DT B 103 2.357 -0.697 8.148 1.00 0.00 C ATOM 1379 O4 DT B 103 1.216 -0.907 8.551 1.00 0.00 O ATOM 1380 C5 DT B 103 3.463 -1.611 8.269 1.00 0.00 C ATOM 1381 C7 DT B 103 3.244 -2.963 8.944 1.00 0.00 C ATOM 1382 C6 DT B 103 4.690 -1.301 7.800 1.00 0.00 C ATOM 0 H5' DT B 103 8.938 -2.279 5.103 1.00 0.00 H new ATOM 0 H5'' DT B 103 10.172 -1.527 6.094 1.00 0.00 H new ATOM 0 H4' DT B 103 8.600 0.060 5.164 1.00 0.00 H new ATOM 0 H3' DT B 103 9.311 0.029 7.972 1.00 0.00 H new ATOM 0 H2' DT B 103 7.066 0.038 8.782 1.00 0.00 H new ATOM 0 H2'' DT B 103 7.085 1.704 8.240 1.00 0.00 H new ATOM 0 H1' DT B 103 6.131 1.192 6.146 1.00 0.00 H new ATOM 0 H3 DT B 103 1.919 1.163 7.393 1.00 0.00 H new ATOM 0 H71 DT B 103 3.926 -3.698 8.516 1.00 0.00 H new ATOM 0 H72 DT B 103 3.435 -2.871 10.013 1.00 0.00 H new ATOM 0 H73 DT B 103 2.215 -3.286 8.785 1.00 0.00 H new ATOM 0 H6 DT B 103 5.491 -2.020 7.888 1.00 0.00 H new ATOM 1395 P DA B 104 9.684 2.816 7.816 1.00 0.00 P ATOM 1396 OP1 DA B 104 10.438 3.816 7.027 1.00 0.00 O ATOM 1397 OP2 DA B 104 10.342 2.122 8.945 1.00 0.00 O ATOM 1398 O5' DA B 104 8.350 3.526 8.368 1.00 0.00 O ATOM 1399 C5' DA B 104 7.693 4.533 7.594 1.00 0.00 C ATOM 1400 C4' DA B 104 6.379 4.973 8.233 1.00 0.00 C ATOM 1401 O4' DA B 104 5.511 3.844 8.367 1.00 0.00 O ATOM 1402 C3' DA B 104 6.525 5.597 9.631 1.00 0.00 C ATOM 1403 O3' DA B 104 6.003 6.932 9.607 1.00 0.00 O ATOM 1404 C2' DA B 104 5.667 4.709 10.537 1.00 0.00 C ATOM 1405 C1' DA B 104 4.742 4.033 9.545 1.00 0.00 C ATOM 1406 N9 DA B 104 4.242 2.720 9.986 1.00 0.00 N ATOM 1407 C8 DA B 104 4.944 1.616 10.378 1.00 0.00 C ATOM 1408 N7 DA B 104 4.215 0.602 10.739 1.00 0.00 N ATOM 1409 C5 DA B 104 2.913 1.074 10.571 1.00 0.00 C ATOM 1410 C6 DA B 104 1.658 0.492 10.778 1.00 0.00 C ATOM 1411 N6 DA B 104 1.497 -0.751 11.230 1.00 0.00 N ATOM 1412 N1 DA B 104 0.576 1.241 10.507 1.00 0.00 N ATOM 1413 C2 DA B 104 0.716 2.489 10.060 1.00 0.00 C ATOM 1414 N3 DA B 104 1.854 3.135 9.833 1.00 0.00 N ATOM 1415 C4 DA B 104 2.922 2.360 10.111 1.00 0.00 C ATOM 0 H5' DA B 104 7.500 4.152 6.591 1.00 0.00 H new ATOM 0 H5'' DA B 104 8.351 5.395 7.486 1.00 0.00 H new ATOM 0 H4' DA B 104 5.981 5.739 7.567 1.00 0.00 H new ATOM 0 H3' DA B 104 7.559 5.652 9.970 1.00 0.00 H new ATOM 0 H2' DA B 104 6.270 3.987 11.088 1.00 0.00 H new ATOM 0 H2'' DA B 104 5.116 5.293 11.274 1.00 0.00 H new ATOM 0 H1' DA B 104 3.861 4.660 9.410 1.00 0.00 H new ATOM 0 H8 DA B 104 6.024 1.588 10.387 1.00 0.00 H new ATOM 0 H61 DA B 104 0.559 -1.128 11.363 1.00 0.00 H new ATOM 0 H62 DA B 104 2.312 -1.326 11.443 1.00 0.00 H new ATOM 0 H2 DA B 104 -0.195 3.034 9.861 1.00 0.00 H new ATOM 1427 P DA B 105 5.797 7.772 10.965 1.00 0.00 P ATOM 1428 OP1 DA B 105 5.958 9.209 10.650 1.00 0.00 O ATOM 1429 OP2 DA B 105 6.623 7.150 12.025 1.00 0.00 O ATOM 1430 O5' DA B 105 4.247 7.501 11.309 1.00 0.00 O ATOM 1431 C5' DA B 105 3.233 7.817 10.352 1.00 0.00 C ATOM 1432 C4' DA B 105 1.842 7.415 10.838 1.00 0.00 C ATOM 1433 O4' DA B 105 1.825 6.014 11.143 1.00 0.00 O ATOM 1434 C3' DA B 105 1.367 8.158 12.096 1.00 0.00 C ATOM 1435 O3' DA B 105 0.085 8.740 11.836 1.00 0.00 O ATOM 1436 C2' DA B 105 1.242 7.064 13.153 1.00 0.00 C ATOM 1437 C1' DA B 105 1.023 5.829 12.304 1.00 0.00 C ATOM 1438 N9 DA B 105 1.439 4.574 12.951 1.00 0.00 N ATOM 1439 C8 DA B 105 2.626 4.274 13.553 1.00 0.00 C ATOM 1440 N7 DA B 105 2.703 3.078 14.053 1.00 0.00 N ATOM 1441 C5 DA B 105 1.454 2.533 13.759 1.00 0.00 C ATOM 1442 C6 DA B 105 0.881 1.283 14.016 1.00 0.00 C ATOM 1443 N6 DA B 105 1.516 0.305 14.659 1.00 0.00 N ATOM 1444 N1 DA B 105 -0.369 1.077 13.583 1.00 0.00 N ATOM 1445 C2 DA B 105 -1.028 2.034 12.934 1.00 0.00 C ATOM 1446 N3 DA B 105 -0.587 3.255 12.640 1.00 0.00 N ATOM 1447 C4 DA B 105 0.677 3.436 13.087 1.00 0.00 C ATOM 0 H5' DA B 105 3.450 7.308 9.413 1.00 0.00 H new ATOM 0 H5'' DA B 105 3.250 8.887 10.146 1.00 0.00 H new ATOM 0 H4' DA B 105 1.168 7.678 10.023 1.00 0.00 H new ATOM 0 H3' DA B 105 2.040 8.957 12.406 1.00 0.00 H new ATOM 0 H2' DA B 105 2.140 6.984 13.765 1.00 0.00 H new ATOM 0 H2'' DA B 105 0.409 7.246 13.832 1.00 0.00 H new ATOM 0 H1' DA B 105 -0.044 5.729 12.105 1.00 0.00 H new ATOM 0 H8 DA B 105 3.442 4.979 13.610 1.00 0.00 H new ATOM 0 H61 DA B 105 1.049 -0.588 14.819 1.00 0.00 H new ATOM 0 H62 DA B 105 2.470 0.448 14.992 1.00 0.00 H new ATOM 0 H2 DA B 105 -2.030 1.794 12.611 1.00 0.00 H new ATOM 1459 P DA B 106 -0.727 9.519 12.987 1.00 0.00 P ATOM 1460 OP1 DA B 106 -1.651 10.471 12.332 1.00 0.00 O ATOM 1461 OP2 DA B 106 0.246 10.007 13.990 1.00 0.00 O ATOM 1462 O5' DA B 106 -1.603 8.347 13.662 1.00 0.00 O ATOM 1463 C5' DA B 106 -2.686 7.740 12.950 1.00 0.00 C ATOM 1464 C4' DA B 106 -3.404 6.694 13.801 1.00 0.00 C ATOM 1465 O4' DA B 106 -2.531 5.584 14.032 1.00 0.00 O ATOM 1466 C3' DA B 106 -3.853 7.203 15.182 1.00 0.00 C ATOM 1467 O3' DA B 106 -5.280 7.127 15.283 1.00 0.00 O ATOM 1468 C2' DA B 106 -3.215 6.232 16.175 1.00 0.00 C ATOM 1469 C1' DA B 106 -2.865 5.044 15.301 1.00 0.00 C ATOM 1470 N9 DA B 106 -1.720 4.264 15.794 1.00 0.00 N ATOM 1471 C8 DA B 106 -0.443 4.680 16.044 1.00 0.00 C ATOM 1472 N7 DA B 106 0.327 3.776 16.580 1.00 0.00 N ATOM 1473 C5 DA B 106 -0.504 2.661 16.668 1.00 0.00 C ATOM 1474 C6 DA B 106 -0.295 1.359 17.129 1.00 0.00 C ATOM 1475 N6 DA B 106 0.866 0.939 17.630 1.00 0.00 N ATOM 1476 N1 DA B 106 -1.328 0.503 17.057 1.00 0.00 N ATOM 1477 C2 DA B 106 -2.497 0.901 16.556 1.00 0.00 C ATOM 1478 N3 DA B 106 -2.805 2.112 16.105 1.00 0.00 N ATOM 1479 C4 DA B 106 -1.749 2.948 16.188 1.00 0.00 C ATOM 0 H5' DA B 106 -2.308 7.273 12.041 1.00 0.00 H new ATOM 0 H5'' DA B 106 -3.395 8.508 12.642 1.00 0.00 H new ATOM 0 H4' DA B 106 -4.295 6.423 13.234 1.00 0.00 H new ATOM 0 H3' DA B 106 -3.562 8.238 15.362 1.00 0.00 H new ATOM 0 H2' DA B 106 -2.332 6.660 16.649 1.00 0.00 H new ATOM 0 H2'' DA B 106 -3.905 5.958 16.974 1.00 0.00 H new ATOM 0 H1' DA B 106 -3.712 4.358 15.282 1.00 0.00 H new ATOM 0 H8 DA B 106 -0.099 5.678 15.816 1.00 0.00 H new ATOM 0 H61 DA B 106 0.964 -0.024 17.953 1.00 0.00 H new ATOM 0 H62 DA B 106 1.657 1.580 17.691 1.00 0.00 H new ATOM 0 H2 DA B 106 -3.279 0.158 16.512 1.00 0.00 H new ATOM 1491 P DT B 107 -6.035 7.590 16.632 1.00 0.00 P ATOM 1492 OP1 DT B 107 -7.425 7.955 16.281 1.00 0.00 O ATOM 1493 OP2 DT B 107 -5.171 8.567 17.332 1.00 0.00 O ATOM 1494 O5' DT B 107 -6.075 6.236 17.507 1.00 0.00 O ATOM 1495 C5' DT B 107 -6.917 5.147 17.120 1.00 0.00 C ATOM 1496 C4' DT B 107 -6.816 3.973 18.093 1.00 0.00 C ATOM 1497 O4' DT B 107 -5.491 3.431 18.072 1.00 0.00 O ATOM 1498 C3' DT B 107 -7.125 4.326 19.559 1.00 0.00 C ATOM 1499 O3' DT B 107 -8.288 3.606 19.982 1.00 0.00 O ATOM 1500 C2' DT B 107 -5.891 3.841 20.333 1.00 0.00 C ATOM 1501 C1' DT B 107 -5.262 2.868 19.355 1.00 0.00 C ATOM 1502 N1 DT B 107 -3.807 2.669 19.537 1.00 0.00 N ATOM 1503 C2 DT B 107 -3.367 1.383 19.790 1.00 0.00 C ATOM 1504 O2 DT B 107 -4.140 0.430 19.853 1.00 0.00 O ATOM 1505 N3 DT B 107 -2.007 1.224 19.970 1.00 0.00 N ATOM 1506 C4 DT B 107 -1.061 2.235 19.943 1.00 0.00 C ATOM 1507 O4 DT B 107 0.126 1.988 20.139 1.00 0.00 O ATOM 1508 C5 DT B 107 -1.611 3.547 19.670 1.00 0.00 C ATOM 1509 C7 DT B 107 -0.681 4.755 19.612 1.00 0.00 C ATOM 1510 C6 DT B 107 -2.936 3.721 19.466 1.00 0.00 C ATOM 0 H5' DT B 107 -6.642 4.814 16.119 1.00 0.00 H new ATOM 0 H5'' DT B 107 -7.951 5.488 17.069 1.00 0.00 H new ATOM 0 H4' DT B 107 -7.570 3.265 17.749 1.00 0.00 H new ATOM 0 H3' DT B 107 -7.320 5.387 19.714 1.00 0.00 H new ATOM 0 H2' DT B 107 -5.218 4.661 20.581 1.00 0.00 H new ATOM 0 H2'' DT B 107 -6.163 3.357 21.271 1.00 0.00 H new ATOM 0 H1' DT B 107 -5.706 1.883 19.503 1.00 0.00 H new ATOM 0 H3 DT B 107 -1.669 0.276 20.138 1.00 0.00 H new ATOM 0 H71 DT B 107 -1.087 5.494 18.921 1.00 0.00 H new ATOM 0 H72 DT B 107 -0.595 5.196 20.605 1.00 0.00 H new ATOM 0 H73 DT B 107 0.304 4.440 19.268 1.00 0.00 H new ATOM 0 H6 DT B 107 -3.313 4.708 19.243 1.00 0.00 H new ATOM 1523 P DC B 108 -8.716 3.554 21.535 1.00 0.00 P ATOM 1524 OP1 DC B 108 -10.189 3.424 21.606 1.00 0.00 O ATOM 1525 OP2 DC B 108 -8.037 4.664 22.239 1.00 0.00 O ATOM 1526 O5' DC B 108 -8.063 2.167 22.030 1.00 0.00 O ATOM 1527 C5' DC B 108 -8.386 0.943 21.367 1.00 0.00 C ATOM 1528 C4' DC B 108 -7.790 -0.270 22.079 1.00 0.00 C ATOM 1529 O4' DC B 108 -6.358 -0.186 22.069 1.00 0.00 O ATOM 1530 C3' DC B 108 -8.229 -0.429 23.536 1.00 0.00 C ATOM 1531 O3' DC B 108 -8.786 -1.737 23.709 1.00 0.00 O ATOM 1532 C2' DC B 108 -6.937 -0.284 24.342 1.00 0.00 C ATOM 1533 C1' DC B 108 -5.876 -0.660 23.324 1.00 0.00 C ATOM 1534 N1 DC B 108 -4.552 -0.044 23.563 1.00 0.00 N ATOM 1535 C2 DC B 108 -3.463 -0.891 23.743 1.00 0.00 C ATOM 1536 O2 DC B 108 -3.614 -2.111 23.703 1.00 0.00 O ATOM 1537 N3 DC B 108 -2.242 -0.332 23.959 1.00 0.00 N ATOM 1538 C4 DC B 108 -2.089 0.996 24.003 1.00 0.00 C ATOM 1539 N4 DC B 108 -0.878 1.509 24.222 1.00 0.00 N ATOM 1540 C5 DC B 108 -3.205 1.872 23.819 1.00 0.00 C ATOM 1541 C6 DC B 108 -4.411 1.313 23.603 1.00 0.00 C ATOM 0 H5' DC B 108 -8.018 0.978 20.342 1.00 0.00 H new ATOM 0 H5'' DC B 108 -9.469 0.835 21.313 1.00 0.00 H new ATOM 0 H4' DC B 108 -8.160 -1.133 21.526 1.00 0.00 H new ATOM 0 H3' DC B 108 -8.982 0.296 23.845 1.00 0.00 H new ATOM 0 H2' DC B 108 -6.802 0.732 24.714 1.00 0.00 H new ATOM 0 H2'' DC B 108 -6.922 -0.945 25.208 1.00 0.00 H new ATOM 0 H1' DC B 108 -5.722 -1.738 23.376 1.00 0.00 H new ATOM 0 H41 DC B 108 -0.751 2.520 24.257 1.00 0.00 H new ATOM 0 H42 DC B 108 -0.078 0.890 24.354 1.00 0.00 H new ATOM 0 H5 DC B 108 -3.084 2.945 23.852 1.00 0.00 H new ATOM 0 H6 DC B 108 -5.275 1.945 23.460 1.00 0.00 H new ATOM 1553 P DA B 109 -9.276 -2.252 25.152 1.00 0.00 P ATOM 1554 OP1 DA B 109 -10.280 -3.320 24.945 1.00 0.00 O ATOM 1555 OP2 DA B 109 -9.611 -1.075 25.982 1.00 0.00 O ATOM 1556 O5' DA B 109 -7.944 -2.924 25.746 1.00 0.00 O ATOM 1557 C5' DA B 109 -7.345 -4.039 25.085 1.00 0.00 C ATOM 1558 C4' DA B 109 -6.171 -4.592 25.883 1.00 0.00 C ATOM 1559 O4' DA B 109 -5.054 -3.690 25.799 1.00 0.00 O ATOM 1560 C3' DA B 109 -6.473 -4.793 27.372 1.00 0.00 C ATOM 1561 O3' DA B 109 -5.930 -6.056 27.775 1.00 0.00 O ATOM 1562 C2' DA B 109 -5.723 -3.643 28.041 1.00 0.00 C ATOM 1563 C1' DA B 109 -4.538 -3.501 27.117 1.00 0.00 C ATOM 1564 N9 DA B 109 -3.818 -2.210 27.151 1.00 0.00 N ATOM 1565 C8 DA B 109 -4.290 -0.935 27.292 1.00 0.00 C ATOM 1566 N7 DA B 109 -3.373 -0.005 27.258 1.00 0.00 N ATOM 1567 C5 DA B 109 -2.192 -0.737 27.087 1.00 0.00 C ATOM 1568 C6 DA B 109 -0.838 -0.370 26.978 1.00 0.00 C ATOM 1569 N6 DA B 109 -0.423 0.894 27.024 1.00 0.00 N ATOM 1570 N1 DA B 109 0.068 -1.363 26.821 1.00 0.00 N ATOM 1571 C2 DA B 109 -0.344 -2.632 26.775 1.00 0.00 C ATOM 1572 N3 DA B 109 -1.589 -3.070 26.866 1.00 0.00 N ATOM 1573 C4 DA B 109 -2.463 -2.068 27.023 1.00 0.00 C ATOM 0 H5' DA B 109 -7.004 -3.737 24.095 1.00 0.00 H new ATOM 0 H5'' DA B 109 -8.090 -4.822 24.941 1.00 0.00 H new ATOM 0 H4' DA B 109 -5.955 -5.565 25.442 1.00 0.00 H new ATOM 0 H3' DA B 109 -7.534 -4.796 27.623 1.00 0.00 H new ATOM 0 H2' DA B 109 -6.321 -2.733 28.089 1.00 0.00 H new ATOM 0 H2'' DA B 109 -5.425 -3.883 29.062 1.00 0.00 H new ATOM 0 H1' DA B 109 -3.795 -4.230 27.441 1.00 0.00 H new ATOM 0 H8 DA B 109 -5.339 -0.714 27.421 1.00 0.00 H new ATOM 0 H61 DA B 109 0.571 1.108 26.940 1.00 0.00 H new ATOM 0 H62 DA B 109 -1.099 1.649 27.143 1.00 0.00 H new ATOM 0 H2 DA B 109 0.422 -3.383 26.650 1.00 0.00 H new ATOM 1585 P DC B 110 -6.006 -6.566 29.301 1.00 0.00 P ATOM 1586 OP1 DC B 110 -6.612 -7.917 29.306 1.00 0.00 O ATOM 1587 OP2 DC B 110 -6.597 -5.494 30.130 1.00 0.00 O ATOM 1588 O5' DC B 110 -4.448 -6.714 29.684 1.00 0.00 O ATOM 1589 C5' DC B 110 -3.617 -7.633 28.966 1.00 0.00 C ATOM 1590 C4' DC B 110 -2.138 -7.439 29.290 1.00 0.00 C ATOM 1591 O4' DC B 110 -1.742 -6.103 28.937 1.00 0.00 O ATOM 1592 C3' DC B 110 -1.785 -7.640 30.770 1.00 0.00 C ATOM 1593 O3' DC B 110 -0.609 -8.451 30.873 1.00 0.00 O ATOM 1594 C2' DC B 110 -1.491 -6.231 31.265 1.00 0.00 C ATOM 1595 C1' DC B 110 -0.965 -5.568 30.007 1.00 0.00 C ATOM 1596 N1 DC B 110 -1.107 -4.097 29.984 1.00 0.00 N ATOM 1597 C2 DC B 110 0.053 -3.334 30.028 1.00 0.00 C ATOM 1598 O2 DC B 110 1.150 -3.887 30.085 1.00 0.00 O ATOM 1599 N3 DC B 110 -0.064 -1.978 30.006 1.00 0.00 N ATOM 1600 C4 DC B 110 -1.267 -1.392 29.944 1.00 0.00 C ATOM 1601 N4 DC B 110 -1.350 -0.062 29.924 1.00 0.00 N ATOM 1602 C5 DC B 110 -2.463 -2.173 29.896 1.00 0.00 C ATOM 1603 C6 DC B 110 -2.337 -3.514 29.920 1.00 0.00 C ATOM 0 H5' DC B 110 -3.774 -7.503 27.895 1.00 0.00 H new ATOM 0 H5'' DC B 110 -3.911 -8.654 29.210 1.00 0.00 H new ATOM 0 H4' DC B 110 -1.612 -8.201 28.715 1.00 0.00 H new ATOM 0 H3' DC B 110 -2.573 -8.133 31.340 1.00 0.00 H new ATOM 0 H2' DC B 110 -2.384 -5.736 31.646 1.00 0.00 H new ATOM 0 H2'' DC B 110 -0.756 -6.225 32.069 1.00 0.00 H new ATOM 0 H1' DC B 110 0.105 -5.766 29.938 1.00 0.00 H new ATOM 0 H41 DC B 110 -2.262 0.391 29.877 1.00 0.00 H new ATOM 0 H42 DC B 110 -0.501 0.502 29.956 1.00 0.00 H new ATOM 0 H5 DC B 110 -3.434 -1.704 29.842 1.00 0.00 H new ATOM 0 H6 DC B 110 -3.221 -4.134 29.888 1.00 0.00 H new ATOM 1615 P DT B 111 -0.035 -8.891 32.312 1.00 0.00 P ATOM 1616 OP1 DT B 111 0.800 -10.098 32.128 1.00 0.00 O ATOM 1617 OP2 DT B 111 -1.161 -8.913 33.273 1.00 0.00 O ATOM 1618 O5' DT B 111 0.933 -7.664 32.701 1.00 0.00 O ATOM 1619 C5' DT B 111 2.160 -7.455 31.995 1.00 0.00 C ATOM 1620 C4' DT B 111 2.946 -6.279 32.571 1.00 0.00 C ATOM 1621 O4' DT B 111 2.199 -5.076 32.410 1.00 0.00 O ATOM 1622 C3' DT B 111 3.257 -6.399 34.066 1.00 0.00 C ATOM 1623 O3' DT B 111 4.640 -6.720 34.241 1.00 0.00 O ATOM 1624 C2' DT B 111 2.968 -5.002 34.636 1.00 0.00 C ATOM 1625 C1' DT B 111 2.654 -4.166 33.402 1.00 0.00 C ATOM 1626 N1 DT B 111 1.598 -3.148 33.605 1.00 0.00 N ATOM 1627 C2 DT B 111 1.997 -1.842 33.835 1.00 0.00 C ATOM 1628 O2 DT B 111 3.182 -1.518 33.879 1.00 0.00 O ATOM 1629 N3 DT B 111 0.981 -0.922 34.014 1.00 0.00 N ATOM 1630 C4 DT B 111 -0.375 -1.187 33.980 1.00 0.00 C ATOM 1631 O4 DT B 111 -1.191 -0.285 34.150 1.00 0.00 O ATOM 1632 C5 DT B 111 -0.700 -2.572 33.735 1.00 0.00 C ATOM 1633 C7 DT B 111 -2.166 -3.000 33.673 1.00 0.00 C ATOM 1634 C6 DT B 111 0.271 -3.493 33.559 1.00 0.00 C ATOM 0 H5' DT B 111 1.948 -7.271 30.942 1.00 0.00 H new ATOM 0 H5'' DT B 111 2.767 -8.359 32.044 1.00 0.00 H new ATOM 0 H4' DT B 111 3.888 -6.274 32.023 1.00 0.00 H new ATOM 0 H3' DT B 111 2.671 -7.176 34.557 1.00 0.00 H new ATOM 0 H2' DT B 111 2.129 -5.019 35.332 1.00 0.00 H new ATOM 0 H2'' DT B 111 3.826 -4.606 35.180 1.00 0.00 H new ATOM 0 H1' DT B 111 3.557 -3.619 33.130 1.00 0.00 H new ATOM 0 H3 DT B 111 1.258 0.044 34.188 1.00 0.00 H new ATOM 0 H71 DT B 111 -2.268 -3.851 33.000 1.00 0.00 H new ATOM 0 H72 DT B 111 -2.505 -3.283 34.670 1.00 0.00 H new ATOM 0 H73 DT B 111 -2.772 -2.172 33.306 1.00 0.00 H new ATOM 0 H6 DT B 111 -0.002 -4.522 33.378 1.00 0.00 H new ATOM 1647 P DG B 112 5.184 -7.240 35.667 1.00 0.00 P ATOM 1648 OP1 DG B 112 6.368 -8.094 35.425 1.00 0.00 O ATOM 1649 OP2 DG B 112 4.035 -7.771 36.434 1.00 0.00 O ATOM 1650 O5' DG B 112 5.680 -5.882 36.379 1.00 0.00 O ATOM 1651 C5' DG B 112 6.973 -5.343 36.091 1.00 0.00 C ATOM 1652 C4' DG B 112 7.274 -4.116 36.949 1.00 0.00 C ATOM 1653 O4' DG B 112 6.281 -3.110 36.698 1.00 0.00 O ATOM 1654 C3' DG B 112 7.272 -4.389 38.455 1.00 0.00 C ATOM 1655 O3' DG B 112 8.323 -3.646 39.080 1.00 0.00 O ATOM 1656 C2' DG B 112 5.921 -3.867 38.914 1.00 0.00 C ATOM 1657 C1' DG B 112 5.665 -2.735 37.931 1.00 0.00 C ATOM 1658 N9 DG B 112 4.238 -2.481 37.657 1.00 0.00 N ATOM 1659 C8 DG B 112 3.238 -3.376 37.402 1.00 0.00 C ATOM 1660 N7 DG B 112 2.070 -2.850 37.182 1.00 0.00 N ATOM 1661 C5 DG B 112 2.309 -1.484 37.294 1.00 0.00 C ATOM 1662 C6 DG B 112 1.414 -0.390 37.151 1.00 0.00 C ATOM 1663 O6 DG B 112 0.213 -0.415 36.896 1.00 0.00 O ATOM 1664 N1 DG B 112 2.060 0.823 37.339 1.00 0.00 N ATOM 1665 C2 DG B 112 3.398 0.972 37.631 1.00 0.00 C ATOM 1666 N2 DG B 112 3.832 2.224 37.776 1.00 0.00 N ATOM 1667 N3 DG B 112 4.245 -0.053 37.767 1.00 0.00 N ATOM 1668 C4 DG B 112 3.634 -1.247 37.585 1.00 0.00 C ATOM 0 H5' DG B 112 7.029 -5.073 35.036 1.00 0.00 H new ATOM 0 H5'' DG B 112 7.733 -6.105 36.265 1.00 0.00 H new ATOM 0 H4' DG B 112 8.279 -3.799 36.670 1.00 0.00 H new ATOM 0 H3' DG B 112 7.427 -5.439 38.702 1.00 0.00 H new ATOM 0 H2' DG B 112 5.149 -4.634 38.862 1.00 0.00 H new ATOM 0 H2'' DG B 112 5.950 -3.513 39.945 1.00 0.00 H new ATOM 0 H1' DG B 112 6.067 -1.823 38.371 1.00 0.00 H new ATOM 0 H8 DG B 112 3.406 -4.443 37.384 1.00 0.00 H new ATOM 0 H1 DG B 112 1.500 1.671 37.254 1.00 0.00 H new ATOM 0 H21 DG B 112 4.813 2.402 37.993 1.00 0.00 H new ATOM 0 H22 DG B 112 3.183 3.004 37.670 1.00 0.00 H new ATOM 1680 P DC B 113 8.554 -3.736 40.672 1.00 0.00 P ATOM 1681 OP1 DC B 113 10.012 -3.721 40.930 1.00 0.00 O ATOM 1682 OP2 DC B 113 7.723 -4.841 41.199 1.00 0.00 O ATOM 1683 O5' DC B 113 7.936 -2.344 41.200 1.00 0.00 O ATOM 1684 C5' DC B 113 8.675 -1.127 41.069 1.00 0.00 C ATOM 1685 C4' DC B 113 7.903 0.064 41.633 1.00 0.00 C ATOM 1686 O4' DC B 113 6.658 0.191 40.937 1.00 0.00 O ATOM 1687 C3' DC B 113 7.580 -0.042 43.131 1.00 0.00 C ATOM 1688 O3' DC B 113 8.078 1.117 43.806 1.00 0.00 O ATOM 1689 C2' DC B 113 6.052 -0.065 43.193 1.00 0.00 C ATOM 1690 C1' DC B 113 5.660 0.576 41.874 1.00 0.00 C ATOM 1691 N1 DC B 113 4.353 0.132 41.341 1.00 0.00 N ATOM 1692 C2 DC B 113 3.388 1.103 41.102 1.00 0.00 C ATOM 1693 O2 DC B 113 3.625 2.282 41.351 1.00 0.00 O ATOM 1694 N3 DC B 113 2.189 0.710 40.592 1.00 0.00 N ATOM 1695 C4 DC B 113 1.945 -0.579 40.326 1.00 0.00 C ATOM 1696 N4 DC B 113 0.769 -0.928 39.810 1.00 0.00 N ATOM 1697 C5 DC B 113 2.932 -1.581 40.571 1.00 0.00 C ATOM 1698 C6 DC B 113 4.115 -1.186 41.076 1.00 0.00 C ATOM 0 H5' DC B 113 8.901 -0.950 40.018 1.00 0.00 H new ATOM 0 H5'' DC B 113 9.628 -1.222 41.589 1.00 0.00 H new ATOM 0 H4' DC B 113 8.555 0.927 41.497 1.00 0.00 H new ATOM 0 H3' DC B 113 8.027 -0.918 43.600 1.00 0.00 H new ATOM 0 H2' DC B 113 5.665 -1.080 43.282 1.00 0.00 H new ATOM 0 H2'' DC B 113 5.672 0.497 44.046 1.00 0.00 H new ATOM 0 H1' DC B 113 5.577 1.651 42.037 1.00 0.00 H new ATOM 0 H41 DC B 113 0.573 -1.908 39.604 1.00 0.00 H new ATOM 0 H42 DC B 113 0.064 -0.216 39.621 1.00 0.00 H new ATOM 0 H5 DC B 113 2.736 -2.621 40.358 1.00 0.00 H new ATOM 0 H6 DC B 113 4.884 -1.919 41.274 1.00 0.00 H new ATOM 1710 P DC B 114 7.893 1.285 45.398 1.00 0.00 P ATOM 1711 OP1 DC B 114 9.022 2.092 45.912 1.00 0.00 O ATOM 1712 OP2 DC B 114 7.615 -0.049 45.975 1.00 0.00 O ATOM 1713 O5' DC B 114 6.551 2.169 45.506 1.00 0.00 O ATOM 1714 C5' DC B 114 6.564 3.554 45.145 1.00 0.00 C ATOM 1715 C4' DC B 114 5.171 4.171 45.239 1.00 0.00 C ATOM 1716 O4' DC B 114 4.285 3.469 44.374 1.00 0.00 O ATOM 1717 C3' DC B 114 4.552 4.126 46.641 1.00 0.00 C ATOM 1718 O3' DC B 114 4.474 5.455 47.165 1.00 0.00 O ATOM 1719 C2' DC B 114 3.139 3.563 46.430 1.00 0.00 C ATOM 1720 C1' DC B 114 2.976 3.583 44.913 1.00 0.00 C ATOM 1721 N1 DC B 114 2.168 2.474 44.350 1.00 0.00 N ATOM 1722 C2 DC B 114 1.146 2.809 43.471 1.00 0.00 C ATOM 1723 O2 DC B 114 0.901 3.988 43.232 1.00 0.00 O ATOM 1724 N3 DC B 114 0.429 1.806 42.900 1.00 0.00 N ATOM 1725 C4 DC B 114 0.701 0.524 43.169 1.00 0.00 C ATOM 1726 N4 DC B 114 -0.020 -0.432 42.584 1.00 0.00 N ATOM 1727 C5 DC B 114 1.750 0.168 44.073 1.00 0.00 C ATOM 1728 C6 DC B 114 2.451 1.168 44.647 1.00 0.00 C ATOM 0 H5' DC B 114 6.943 3.662 44.129 1.00 0.00 H new ATOM 0 H5'' DC B 114 7.247 4.095 45.799 1.00 0.00 H new ATOM 0 H4' DC B 114 5.299 5.217 44.962 1.00 0.00 H new ATOM 0 H3' DC B 114 5.133 3.524 47.339 1.00 0.00 H new ATOM 0 H2' DC B 114 3.044 2.554 46.832 1.00 0.00 H new ATOM 0 H2'' DC B 114 2.384 4.175 46.924 1.00 0.00 H new ATOM 0 H1' DC B 114 2.448 4.501 44.656 1.00 0.00 H new ATOM 0 H41 DC B 114 0.178 -1.413 42.781 1.00 0.00 H new ATOM 0 H42 DC B 114 -0.770 -0.183 41.939 1.00 0.00 H new ATOM 0 H5 DC B 114 1.974 -0.866 44.289 1.00 0.00 H new ATOM 0 H6 DC B 114 3.241 0.936 45.346 1.00 0.00 H new ATOM 1740 P DT B 115 3.965 5.713 48.670 1.00 0.00 P ATOM 1741 OP1 DT B 115 4.636 6.928 49.184 1.00 0.00 O ATOM 1742 OP2 DT B 115 4.068 4.440 49.419 1.00 0.00 O ATOM 1743 O5' DT B 115 2.404 6.049 48.462 1.00 0.00 O ATOM 1744 C5' DT B 115 2.005 7.286 47.865 1.00 0.00 C ATOM 1745 C4' DT B 115 0.495 7.487 47.948 1.00 0.00 C ATOM 1746 O4' DT B 115 -0.165 6.426 47.247 1.00 0.00 O ATOM 1747 C3' DT B 115 -0.061 7.498 49.382 1.00 0.00 C ATOM 1748 O3' DT B 115 -0.826 8.691 49.585 1.00 0.00 O ATOM 1749 C2' DT B 115 -0.975 6.277 49.442 1.00 0.00 C ATOM 1750 C1' DT B 115 -1.329 6.069 47.982 1.00 0.00 C ATOM 1751 N1 DT B 115 -1.682 4.676 47.632 1.00 0.00 N ATOM 1752 C2 DT B 115 -2.951 4.441 47.136 1.00 0.00 C ATOM 1753 O2 DT B 115 -3.769 5.345 46.979 1.00 0.00 O ATOM 1754 N3 DT B 115 -3.248 3.127 46.826 1.00 0.00 N ATOM 1755 C4 DT B 115 -2.399 2.044 46.968 1.00 0.00 C ATOM 1756 O4 DT B 115 -2.766 0.914 46.657 1.00 0.00 O ATOM 1757 C5 DT B 115 -1.096 2.385 47.493 1.00 0.00 C ATOM 1758 C7 DT B 115 -0.061 1.283 47.706 1.00 0.00 C ATOM 1759 C6 DT B 115 -0.781 3.659 47.801 1.00 0.00 C ATOM 0 H5' DT B 115 2.319 7.305 46.821 1.00 0.00 H new ATOM 0 H5'' DT B 115 2.511 8.112 48.365 1.00 0.00 H new ATOM 0 H4' DT B 115 0.305 8.466 47.508 1.00 0.00 H new ATOM 0 H3' DT B 115 0.720 7.471 50.142 1.00 0.00 H new ATOM 0 H2' DT B 115 -0.468 5.410 49.866 1.00 0.00 H new ATOM 0 H2'' DT B 115 -1.859 6.460 50.053 1.00 0.00 H new ATOM 0 H1' DT B 115 -2.210 6.669 47.755 1.00 0.00 H new ATOM 0 H3 DT B 115 -4.180 2.938 46.458 1.00 0.00 H new ATOM 0 H71 DT B 115 0.940 1.695 47.580 1.00 0.00 H new ATOM 0 H72 DT B 115 -0.162 0.878 48.713 1.00 0.00 H new ATOM 0 H73 DT B 115 -0.221 0.488 46.978 1.00 0.00 H new ATOM 0 H6 DT B 115 0.202 3.882 48.189 1.00 0.00 H new ATOM 1772 P DA B 116 -1.550 8.973 50.995 1.00 0.00 P ATOM 1773 OP1 DA B 116 -1.652 10.439 51.178 1.00 0.00 O ATOM 1774 OP2 DA B 116 -0.888 8.146 52.029 1.00 0.00 O ATOM 1775 O5' DA B 116 -3.032 8.391 50.755 1.00 0.00 O ATOM 1776 C5' DA B 116 -3.898 8.991 49.789 1.00 0.00 C ATOM 1777 C4' DA B 116 -5.323 8.455 49.899 1.00 0.00 C ATOM 1778 O4' DA B 116 -5.319 7.040 49.651 1.00 0.00 O ATOM 1779 C3' DA B 116 -5.971 8.676 51.271 1.00 0.00 C ATOM 1780 O3' DA B 116 -7.343 9.058 51.146 1.00 0.00 O ATOM 1781 C2' DA B 116 -5.830 7.316 51.935 1.00 0.00 C ATOM 1782 C1' DA B 116 -5.946 6.377 50.749 1.00 0.00 C ATOM 1783 N9 DA B 116 -5.270 5.081 50.941 1.00 0.00 N ATOM 1784 C8 DA B 116 -4.013 4.829 51.406 1.00 0.00 C ATOM 1785 N7 DA B 116 -3.694 3.570 51.475 1.00 0.00 N ATOM 1786 C5 DA B 116 -4.842 2.929 51.012 1.00 0.00 C ATOM 1787 C6 DA B 116 -5.170 1.579 50.832 1.00 0.00 C ATOM 1788 N6 DA B 116 -4.329 0.582 51.110 1.00 0.00 N ATOM 1789 N1 DA B 116 -6.394 1.297 50.356 1.00 0.00 N ATOM 1790 C2 DA B 116 -7.249 2.281 50.072 1.00 0.00 C ATOM 1791 N3 DA B 116 -7.041 3.588 50.206 1.00 0.00 N ATOM 1792 C4 DA B 116 -5.806 3.841 50.685 1.00 0.00 C ATOM 0 H5' DA B 116 -3.514 8.800 48.787 1.00 0.00 H new ATOM 0 H5'' DA B 116 -3.904 10.072 49.927 1.00 0.00 H new ATOM 0 H4' DA B 116 -5.905 9.010 49.163 1.00 0.00 H new ATOM 0 H3' DA B 116 -5.507 9.482 51.840 1.00 0.00 H new ATOM 0 H2' DA B 116 -4.875 7.209 52.449 1.00 0.00 H new ATOM 0 H2'' DA B 116 -6.611 7.139 52.674 1.00 0.00 H new ATOM 0 HO3' DA B 116 -7.728 9.190 52.037 1.00 0.00 H new ATOM 0 H1' DA B 116 -7.002 6.156 50.594 1.00 0.00 H new ATOM 0 H8 DA B 116 -3.333 5.616 51.695 1.00 0.00 H new ATOM 0 H61 DA B 116 -4.617 -0.385 50.961 1.00 0.00 H new ATOM 0 H62 DA B 116 -3.397 0.787 51.472 1.00 0.00 H new ATOM 0 H2 DA B 116 -8.215 1.984 49.692 1.00 0.00 H new TER 1805 DA B 116 ATOM 1806 O5' DT C 201 -11.750 -6.376 49.895 1.00 0.00 O ATOM 1807 C5' DT C 201 -12.834 -5.448 49.988 1.00 0.00 C ATOM 1808 C4' DT C 201 -12.500 -4.125 49.305 1.00 0.00 C ATOM 1809 O4' DT C 201 -11.350 -3.543 49.933 1.00 0.00 O ATOM 1810 C3' DT C 201 -12.183 -4.251 47.806 1.00 0.00 C ATOM 1811 O3' DT C 201 -13.029 -3.366 47.064 1.00 0.00 O ATOM 1812 C2' DT C 201 -10.729 -3.797 47.688 1.00 0.00 C ATOM 1813 C1' DT C 201 -10.566 -2.925 48.920 1.00 0.00 C ATOM 1814 N1 DT C 201 -9.177 -2.814 49.419 1.00 0.00 N ATOM 1815 C2 DT C 201 -8.642 -1.543 49.546 1.00 0.00 C ATOM 1816 O2 DT C 201 -9.282 -0.534 49.260 1.00 0.00 O ATOM 1817 N3 DT C 201 -7.343 -1.475 50.015 1.00 0.00 N ATOM 1818 C4 DT C 201 -6.543 -2.548 50.360 1.00 0.00 C ATOM 1819 O4 DT C 201 -5.397 -2.370 50.766 1.00 0.00 O ATOM 1820 C5 DT C 201 -7.184 -3.835 50.197 1.00 0.00 C ATOM 1821 C7 DT C 201 -6.414 -5.107 50.543 1.00 0.00 C ATOM 1822 C6 DT C 201 -8.450 -3.930 49.744 1.00 0.00 C ATOM 0 H5' DT C 201 -13.070 -5.267 51.037 1.00 0.00 H new ATOM 0 H5'' DT C 201 -13.724 -5.880 49.530 1.00 0.00 H new ATOM 0 H4' DT C 201 -13.394 -3.510 49.406 1.00 0.00 H new ATOM 0 H3' DT C 201 -12.339 -5.259 47.422 1.00 0.00 H new ATOM 0 H2' DT C 201 -10.038 -4.640 47.691 1.00 0.00 H new ATOM 0 H2'' DT C 201 -10.549 -3.240 46.768 1.00 0.00 H new ATOM 0 HO5' DT C 201 -10.903 -5.886 49.848 1.00 0.00 H new ATOM 0 H1' DT C 201 -10.870 -1.911 48.662 1.00 0.00 H new ATOM 0 H3 DT C 201 -6.937 -0.545 50.116 1.00 0.00 H new ATOM 0 H71 DT C 201 -7.111 -5.874 50.879 1.00 0.00 H new ATOM 0 H72 DT C 201 -5.882 -5.462 49.660 1.00 0.00 H new ATOM 0 H73 DT C 201 -5.698 -4.894 51.337 1.00 0.00 H new ATOM 0 H6 DT C 201 -8.901 -4.905 49.635 1.00 0.00 H new ATOM 1836 P DA C 202 -12.913 -3.275 45.460 1.00 0.00 P ATOM 1837 OP1 DA C 202 -14.274 -3.396 44.891 1.00 0.00 O ATOM 1838 OP2 DA C 202 -11.846 -4.201 45.020 1.00 0.00 O ATOM 1839 O5' DA C 202 -12.401 -1.766 45.223 1.00 0.00 O ATOM 1840 C5' DA C 202 -13.327 -0.675 45.245 1.00 0.00 C ATOM 1841 C4' DA C 202 -12.738 0.577 44.597 1.00 0.00 C ATOM 1842 O4' DA C 202 -11.637 1.050 45.385 1.00 0.00 O ATOM 1843 C3' DA C 202 -12.223 0.361 43.173 1.00 0.00 C ATOM 1844 O3' DA C 202 -12.593 1.479 42.359 1.00 0.00 O ATOM 1845 C2' DA C 202 -10.712 0.302 43.333 1.00 0.00 C ATOM 1846 C1' DA C 202 -10.475 1.163 44.559 1.00 0.00 C ATOM 1847 N9 DA C 202 -9.327 0.735 45.370 1.00 0.00 N ATOM 1848 C8 DA C 202 -9.218 -0.360 46.171 1.00 0.00 C ATOM 1849 N7 DA C 202 -8.081 -0.480 46.787 1.00 0.00 N ATOM 1850 C5 DA C 202 -7.370 0.639 46.355 1.00 0.00 C ATOM 1851 C6 DA C 202 -6.083 1.110 46.631 1.00 0.00 C ATOM 1852 N6 DA C 202 -5.243 0.489 47.459 1.00 0.00 N ATOM 1853 N1 DA C 202 -5.698 2.249 46.028 1.00 0.00 N ATOM 1854 C2 DA C 202 -6.525 2.882 45.197 1.00 0.00 C ATOM 1855 N3 DA C 202 -7.763 2.525 44.870 1.00 0.00 N ATOM 1856 C4 DA C 202 -8.121 1.381 45.487 1.00 0.00 C ATOM 0 H5' DA C 202 -13.606 -0.455 46.275 1.00 0.00 H new ATOM 0 H5'' DA C 202 -14.239 -0.961 44.722 1.00 0.00 H new ATOM 0 H4' DA C 202 -13.556 1.295 44.548 1.00 0.00 H new ATOM 0 H3' DA C 202 -12.627 -0.534 42.699 1.00 0.00 H new ATOM 0 H2' DA C 202 -10.360 -0.719 43.480 1.00 0.00 H new ATOM 0 H2'' DA C 202 -10.196 0.694 42.457 1.00 0.00 H new ATOM 0 H1' DA C 202 -10.273 2.176 44.212 1.00 0.00 H new ATOM 0 H8 DA C 202 -10.018 -1.076 46.286 1.00 0.00 H new ATOM 0 H61 DA C 202 -4.314 0.875 47.626 1.00 0.00 H new ATOM 0 H62 DA C 202 -5.530 -0.372 47.925 1.00 0.00 H new ATOM 0 H2 DA C 202 -6.148 3.784 44.739 1.00 0.00 H new ATOM 1868 P DG C 203 -12.124 1.575 40.821 1.00 0.00 P ATOM 1869 OP1 DG C 203 -13.116 2.390 40.085 1.00 0.00 O ATOM 1870 OP2 DG C 203 -11.795 0.211 40.351 1.00 0.00 O ATOM 1871 O5' DG C 203 -10.755 2.419 40.922 1.00 0.00 O ATOM 1872 C5' DG C 203 -10.752 3.726 41.502 1.00 0.00 C ATOM 1873 C4' DG C 203 -9.393 4.406 41.355 1.00 0.00 C ATOM 1874 O4' DG C 203 -8.377 3.582 41.926 1.00 0.00 O ATOM 1875 C3' DG C 203 -8.977 4.684 39.903 1.00 0.00 C ATOM 1876 O3' DG C 203 -8.938 6.098 39.689 1.00 0.00 O ATOM 1877 C2' DG C 203 -7.567 4.095 39.781 1.00 0.00 C ATOM 1878 C1' DG C 203 -7.168 3.850 41.229 1.00 0.00 C ATOM 1879 N9 DG C 203 -6.268 2.697 41.422 1.00 0.00 N ATOM 1880 C8 DG C 203 -6.564 1.365 41.385 1.00 0.00 C ATOM 1881 N7 DG C 203 -5.558 0.569 41.590 1.00 0.00 N ATOM 1882 C5 DG C 203 -4.492 1.445 41.782 1.00 0.00 C ATOM 1883 C6 DG C 203 -3.123 1.170 42.049 1.00 0.00 C ATOM 1884 O6 DG C 203 -2.574 0.078 42.172 1.00 0.00 O ATOM 1885 N1 DG C 203 -2.384 2.337 42.174 1.00 0.00 N ATOM 1886 C2 DG C 203 -2.891 3.613 42.058 1.00 0.00 C ATOM 1887 N2 DG C 203 -2.020 4.608 42.215 1.00 0.00 N ATOM 1888 N3 DG C 203 -4.178 3.879 41.807 1.00 0.00 N ATOM 1889 C4 DG C 203 -4.918 2.752 41.680 1.00 0.00 C ATOM 0 H5' DG C 203 -11.011 3.656 42.558 1.00 0.00 H new ATOM 0 H5'' DG C 203 -11.518 4.337 41.025 1.00 0.00 H new ATOM 0 H4' DG C 203 -9.498 5.363 41.866 1.00 0.00 H new ATOM 0 H3' DG C 203 -9.665 4.254 39.175 1.00 0.00 H new ATOM 0 H2' DG C 203 -7.565 3.172 39.201 1.00 0.00 H new ATOM 0 H2'' DG C 203 -6.884 4.785 39.286 1.00 0.00 H new ATOM 0 H1' DG C 203 -6.624 4.725 41.586 1.00 0.00 H new ATOM 0 H8 DG C 203 -7.563 0.999 41.199 1.00 0.00 H new ATOM 0 H1 DG C 203 -1.387 2.243 42.367 1.00 0.00 H new ATOM 0 H21 DG C 203 -2.333 5.576 42.141 1.00 0.00 H new ATOM 0 H22 DG C 203 -1.040 4.402 42.409 1.00 0.00 H new ATOM 1901 P DG C 204 -8.514 6.706 38.259 1.00 0.00 P ATOM 1902 OP1 DG C 204 -9.191 8.011 38.091 1.00 0.00 O ATOM 1903 OP2 DG C 204 -8.686 5.648 37.238 1.00 0.00 O ATOM 1904 O5' DG C 204 -6.938 6.975 38.445 1.00 0.00 O ATOM 1905 C5' DG C 204 -6.473 7.854 39.472 1.00 0.00 C ATOM 1906 C4' DG C 204 -4.952 7.819 39.596 1.00 0.00 C ATOM 1907 O4' DG C 204 -4.525 6.477 39.834 1.00 0.00 O ATOM 1908 C3' DG C 204 -4.200 8.308 38.350 1.00 0.00 C ATOM 1909 O3' DG C 204 -3.523 9.532 38.650 1.00 0.00 O ATOM 1910 C2' DG C 204 -3.174 7.208 38.059 1.00 0.00 C ATOM 1911 C1' DG C 204 -3.210 6.357 39.317 1.00 0.00 C ATOM 1912 N9 DG C 204 -2.937 4.928 39.083 1.00 0.00 N ATOM 1913 C8 DG C 204 -3.728 3.985 38.495 1.00 0.00 C ATOM 1914 N7 DG C 204 -3.205 2.798 38.414 1.00 0.00 N ATOM 1915 C5 DG C 204 -1.952 2.964 39.001 1.00 0.00 C ATOM 1916 C6 DG C 204 -0.912 2.019 39.207 1.00 0.00 C ATOM 1917 O6 DG C 204 -0.893 0.831 38.900 1.00 0.00 O ATOM 1918 N1 DG C 204 0.185 2.595 39.834 1.00 0.00 N ATOM 1919 C2 DG C 204 0.274 3.917 40.216 1.00 0.00 C ATOM 1920 N2 DG C 204 1.411 4.285 40.805 1.00 0.00 N ATOM 1921 N3 DG C 204 -0.701 4.810 40.025 1.00 0.00 N ATOM 1922 C4 DG C 204 -1.780 4.265 39.414 1.00 0.00 C ATOM 0 H5' DG C 204 -6.923 7.572 40.424 1.00 0.00 H new ATOM 0 H5'' DG C 204 -6.798 8.872 39.255 1.00 0.00 H new ATOM 0 H4' DG C 204 -4.717 8.496 40.418 1.00 0.00 H new ATOM 0 H3' DG C 204 -4.864 8.492 37.505 1.00 0.00 H new ATOM 0 H2' DG C 204 -3.443 6.630 37.175 1.00 0.00 H new ATOM 0 H2'' DG C 204 -2.181 7.621 37.880 1.00 0.00 H new ATOM 0 H1' DG C 204 -2.430 6.710 39.992 1.00 0.00 H new ATOM 0 H8 DG C 204 -4.717 4.209 38.124 1.00 0.00 H new ATOM 0 H1 DG C 204 0.986 1.994 40.027 1.00 0.00 H new ATOM 0 H21 DG C 204 1.538 5.250 41.111 1.00 0.00 H new ATOM 0 H22 DG C 204 2.154 3.602 40.950 1.00 0.00 H new ATOM 1934 P DC C 205 -2.858 10.414 37.477 1.00 0.00 P ATOM 1935 OP1 DC C 205 -2.595 11.770 38.007 1.00 0.00 O ATOM 1936 OP2 DC C 205 -3.675 10.246 36.254 1.00 0.00 O ATOM 1937 O5' DC C 205 -1.442 9.683 37.239 1.00 0.00 O ATOM 1938 C5' DC C 205 -0.376 9.836 38.182 1.00 0.00 C ATOM 1939 C4' DC C 205 0.816 8.947 37.833 1.00 0.00 C ATOM 1940 O4' DC C 205 0.426 7.578 37.902 1.00 0.00 O ATOM 1941 C3' DC C 205 1.381 9.173 36.426 1.00 0.00 C ATOM 1942 O3' DC C 205 2.653 9.824 36.520 1.00 0.00 O ATOM 1943 C2' DC C 205 1.560 7.764 35.845 1.00 0.00 C ATOM 1944 C1' DC C 205 1.280 6.848 37.031 1.00 0.00 C ATOM 1945 N1 DC C 205 0.589 5.592 36.671 1.00 0.00 N ATOM 1946 C2 DC C 205 1.287 4.402 36.814 1.00 0.00 C ATOM 1947 O2 DC C 205 2.440 4.410 37.239 1.00 0.00 O ATOM 1948 N3 DC C 205 0.662 3.243 36.475 1.00 0.00 N ATOM 1949 C4 DC C 205 -0.596 3.248 36.012 1.00 0.00 C ATOM 1950 N4 DC C 205 -1.172 2.094 35.682 1.00 0.00 N ATOM 1951 C5 DC C 205 -1.321 4.474 35.865 1.00 0.00 C ATOM 1952 C6 DC C 205 -0.693 5.616 36.207 1.00 0.00 C ATOM 0 H5' DC C 205 -0.735 9.588 39.181 1.00 0.00 H new ATOM 0 H5'' DC C 205 -0.058 10.878 38.207 1.00 0.00 H new ATOM 0 H4' DC C 205 1.589 9.208 38.556 1.00 0.00 H new ATOM 0 H3' DC C 205 0.733 9.796 35.810 1.00 0.00 H new ATOM 0 H2' DC C 205 0.868 7.578 35.023 1.00 0.00 H new ATOM 0 H2'' DC C 205 2.567 7.617 35.454 1.00 0.00 H new ATOM 0 H1' DC C 205 2.235 6.562 37.472 1.00 0.00 H new ATOM 0 H41 DC C 205 -2.129 2.084 35.329 1.00 0.00 H new ATOM 0 H42 DC C 205 -0.657 1.220 35.783 1.00 0.00 H new ATOM 0 H5 DC C 205 -2.335 4.483 35.493 1.00 0.00 H new ATOM 0 H6 DC C 205 -1.210 6.560 36.113 1.00 0.00 H new ATOM 1964 P DA C 206 3.383 10.387 35.200 1.00 0.00 P ATOM 1965 OP1 DA C 206 4.324 11.453 35.609 1.00 0.00 O ATOM 1966 OP2 DA C 206 2.345 10.671 34.182 1.00 0.00 O ATOM 1967 O5' DA C 206 4.243 9.121 34.700 1.00 0.00 O ATOM 1968 C5' DA C 206 5.446 8.747 35.378 1.00 0.00 C ATOM 1969 C4' DA C 206 6.043 7.467 34.802 1.00 0.00 C ATOM 1970 O4' DA C 206 5.082 6.406 34.914 1.00 0.00 O ATOM 1971 C3' DA C 206 6.447 7.566 33.326 1.00 0.00 C ATOM 1972 O3' DA C 206 7.760 7.020 33.157 1.00 0.00 O ATOM 1973 C2' DA C 206 5.421 6.701 32.600 1.00 0.00 C ATOM 1974 C1' DA C 206 5.022 5.706 33.673 1.00 0.00 C ATOM 1975 N9 DA C 206 3.655 5.175 33.527 1.00 0.00 N ATOM 1976 C8 DA C 206 2.485 5.854 33.345 1.00 0.00 C ATOM 1977 N7 DA C 206 1.422 5.110 33.274 1.00 0.00 N ATOM 1978 C5 DA C 206 1.930 3.821 33.421 1.00 0.00 C ATOM 1979 C6 DA C 206 1.324 2.560 33.439 1.00 0.00 C ATOM 1980 N6 DA C 206 0.010 2.381 33.302 1.00 0.00 N ATOM 1981 N1 DA C 206 2.123 1.492 33.604 1.00 0.00 N ATOM 1982 C2 DA C 206 3.440 1.651 33.741 1.00 0.00 C ATOM 1983 N3 DA C 206 4.113 2.797 33.740 1.00 0.00 N ATOM 1984 C4 DA C 206 3.288 3.851 33.575 1.00 0.00 C ATOM 0 H5' DA C 206 5.237 8.606 36.439 1.00 0.00 H new ATOM 0 H5'' DA C 206 6.174 9.555 35.301 1.00 0.00 H new ATOM 0 H4' DA C 206 6.949 7.280 35.378 1.00 0.00 H new ATOM 0 H3' DA C 206 6.466 8.590 32.953 1.00 0.00 H new ATOM 0 H2' DA C 206 4.570 7.286 32.251 1.00 0.00 H new ATOM 0 H2'' DA C 206 5.849 6.208 31.727 1.00 0.00 H new ATOM 0 H1' DA C 206 5.697 4.853 33.604 1.00 0.00 H new ATOM 0 H8 DA C 206 2.446 6.930 33.266 1.00 0.00 H new ATOM 0 H61 DA C 206 -0.381 1.439 33.322 1.00 0.00 H new ATOM 0 H62 DA C 206 -0.604 3.186 33.177 1.00 0.00 H new ATOM 0 H2 DA C 206 4.023 0.751 33.866 1.00 0.00 H new ATOM 1996 P DG C 207 8.420 6.901 31.693 1.00 0.00 P ATOM 1997 OP1 DG C 207 9.876 7.135 31.821 1.00 0.00 O ATOM 1998 OP2 DG C 207 7.620 7.720 30.755 1.00 0.00 O ATOM 1999 O5' DG C 207 8.189 5.349 31.330 1.00 0.00 O ATOM 2000 C5' DG C 207 8.896 4.327 32.039 1.00 0.00 C ATOM 2001 C4' DG C 207 8.592 2.940 31.478 1.00 0.00 C ATOM 2002 O4' DG C 207 7.190 2.675 31.597 1.00 0.00 O ATOM 2003 C3' DG C 207 8.964 2.761 29.998 1.00 0.00 C ATOM 2004 O3' DG C 207 9.896 1.681 29.871 1.00 0.00 O ATOM 2005 C2' DG C 207 7.648 2.399 29.311 1.00 0.00 C ATOM 2006 C1' DG C 207 6.793 1.911 30.466 1.00 0.00 C ATOM 2007 N9 DG C 207 5.346 2.106 30.273 1.00 0.00 N ATOM 2008 C8 DG C 207 4.648 3.267 30.114 1.00 0.00 C ATOM 2009 N7 DG C 207 3.366 3.124 29.967 1.00 0.00 N ATOM 2010 C5 DG C 207 3.190 1.744 30.037 1.00 0.00 C ATOM 2011 C6 DG C 207 2.002 0.972 29.946 1.00 0.00 C ATOM 2012 O6 DG C 207 0.850 1.367 29.780 1.00 0.00 O ATOM 2013 N1 DG C 207 2.264 -0.387 30.071 1.00 0.00 N ATOM 2014 C2 DG C 207 3.515 -0.938 30.256 1.00 0.00 C ATOM 2015 N2 DG C 207 3.566 -2.266 30.351 1.00 0.00 N ATOM 2016 N3 DG C 207 4.635 -0.215 30.340 1.00 0.00 N ATOM 2017 C4 DG C 207 4.399 1.112 30.224 1.00 0.00 C ATOM 0 H5' DG C 207 8.624 4.361 33.094 1.00 0.00 H new ATOM 0 H5'' DG C 207 9.968 4.517 31.980 1.00 0.00 H new ATOM 0 H4' DG C 207 9.203 2.251 32.060 1.00 0.00 H new ATOM 0 H3' DG C 207 9.424 3.650 29.566 1.00 0.00 H new ATOM 0 H2' DG C 207 7.202 3.259 28.812 1.00 0.00 H new ATOM 0 H2'' DG C 207 7.785 1.627 28.554 1.00 0.00 H new ATOM 0 H1' DG C 207 6.945 0.837 30.570 1.00 0.00 H new ATOM 0 H8 DG C 207 5.127 4.235 30.111 1.00 0.00 H new ATOM 0 H1 DG C 207 1.470 -1.026 30.022 1.00 0.00 H new ATOM 0 H21 DG C 207 4.462 -2.733 30.488 1.00 0.00 H new ATOM 0 H22 DG C 207 2.709 -2.815 30.286 1.00 0.00 H new ATOM 2029 P DT C 208 10.524 1.303 28.436 1.00 0.00 P ATOM 2030 OP1 DT C 208 11.843 0.669 28.663 1.00 0.00 O ATOM 2031 OP2 DT C 208 10.416 2.487 27.557 1.00 0.00 O ATOM 2032 O5' DT C 208 9.511 0.175 27.891 1.00 0.00 O ATOM 2033 C5' DT C 208 9.508 -1.134 28.465 1.00 0.00 C ATOM 2034 C4' DT C 208 8.461 -2.032 27.811 1.00 0.00 C ATOM 2035 O4' DT C 208 7.162 -1.475 28.012 1.00 0.00 O ATOM 2036 C3' DT C 208 8.639 -2.215 26.299 1.00 0.00 C ATOM 2037 O3' DT C 208 8.998 -3.574 26.032 1.00 0.00 O ATOM 2038 C2' DT C 208 7.260 -1.905 25.698 1.00 0.00 C ATOM 2039 C1' DT C 208 6.347 -1.875 26.920 1.00 0.00 C ATOM 2040 N1 DT C 208 5.220 -0.917 26.834 1.00 0.00 N ATOM 2041 C2 DT C 208 3.940 -1.412 27.020 1.00 0.00 C ATOM 2042 O2 DT C 208 3.724 -2.604 27.229 1.00 0.00 O ATOM 2043 N3 DT C 208 2.912 -0.488 26.959 1.00 0.00 N ATOM 2044 C4 DT C 208 3.054 0.872 26.747 1.00 0.00 C ATOM 2045 O4 DT C 208 2.073 1.610 26.727 1.00 0.00 O ATOM 2046 C5 DT C 208 4.424 1.299 26.561 1.00 0.00 C ATOM 2047 C7 DT C 208 4.723 2.775 26.314 1.00 0.00 C ATOM 2048 C6 DT C 208 5.442 0.416 26.599 1.00 0.00 C ATOM 0 H5' DT C 208 9.310 -1.062 29.534 1.00 0.00 H new ATOM 0 H5'' DT C 208 10.495 -1.583 28.353 1.00 0.00 H new ATOM 0 H4' DT C 208 8.583 -3.006 28.284 1.00 0.00 H new ATOM 0 H3' DT C 208 9.417 -1.574 25.883 1.00 0.00 H new ATOM 0 H2' DT C 208 7.256 -0.952 25.169 1.00 0.00 H new ATOM 0 H2'' DT C 208 6.951 -2.668 24.983 1.00 0.00 H new ATOM 0 H1' DT C 208 5.899 -2.864 27.018 1.00 0.00 H new ATOM 0 H3 DT C 208 1.963 -0.841 27.081 1.00 0.00 H new ATOM 0 H71 DT C 208 5.709 3.018 26.711 1.00 0.00 H new ATOM 0 H72 DT C 208 4.704 2.976 25.243 1.00 0.00 H new ATOM 0 H73 DT C 208 3.970 3.387 26.811 1.00 0.00 H new ATOM 0 H6 DT C 208 6.452 0.765 26.441 1.00 0.00 H new ATOM 2061 P DG C 209 9.187 -4.098 24.522 1.00 0.00 P ATOM 2062 OP1 DG C 209 10.208 -5.169 24.526 1.00 0.00 O ATOM 2063 OP2 DG C 209 9.354 -2.922 23.641 1.00 0.00 O ATOM 2064 O5' DG C 209 7.757 -4.765 24.206 1.00 0.00 O ATOM 2065 C5' DG C 209 7.272 -5.843 25.011 1.00 0.00 C ATOM 2066 C4' DG C 209 5.849 -6.237 24.625 1.00 0.00 C ATOM 2067 O4' DG C 209 4.994 -5.091 24.730 1.00 0.00 O ATOM 2068 C3' DG C 209 5.710 -6.780 23.198 1.00 0.00 C ATOM 2069 O3' DG C 209 5.051 -8.047 23.241 1.00 0.00 O ATOM 2070 C2' DG C 209 4.830 -5.752 22.485 1.00 0.00 C ATOM 2071 C1' DG C 209 4.079 -5.119 23.641 1.00 0.00 C ATOM 2072 N9 DG C 209 3.617 -3.736 23.400 1.00 0.00 N ATOM 2073 C8 DG C 209 4.333 -2.634 23.020 1.00 0.00 C ATOM 2074 N7 DG C 209 3.644 -1.537 22.916 1.00 0.00 N ATOM 2075 C5 DG C 209 2.352 -1.936 23.252 1.00 0.00 C ATOM 2076 C6 DG C 209 1.152 -1.175 23.319 1.00 0.00 C ATOM 2077 O6 DG C 209 0.991 0.021 23.088 1.00 0.00 O ATOM 2078 N1 DG C 209 0.074 -1.964 23.700 1.00 0.00 N ATOM 2079 C2 DG C 209 0.136 -3.311 23.977 1.00 0.00 C ATOM 2080 N2 DG C 209 -1.013 -3.893 24.322 1.00 0.00 N ATOM 2081 N3 DG C 209 1.262 -4.030 23.916 1.00 0.00 N ATOM 2082 C4 DG C 209 2.327 -3.281 23.548 1.00 0.00 C ATOM 0 H5' DG C 209 7.298 -5.553 26.062 1.00 0.00 H new ATOM 0 H5'' DG C 209 7.931 -6.704 24.902 1.00 0.00 H new ATOM 0 H4' DG C 209 5.570 -7.036 25.312 1.00 0.00 H new ATOM 0 H3' DG C 209 6.668 -6.921 22.697 1.00 0.00 H new ATOM 0 H2' DG C 209 5.422 -5.021 21.935 1.00 0.00 H new ATOM 0 H2'' DG C 209 4.155 -6.220 21.768 1.00 0.00 H new ATOM 0 H1' DG C 209 3.178 -5.707 23.815 1.00 0.00 H new ATOM 0 H8 DG C 209 5.394 -2.673 22.821 1.00 0.00 H new ATOM 0 H1 DG C 209 -0.835 -1.509 23.781 1.00 0.00 H new ATOM 0 H21 DG C 209 -1.035 -4.889 24.540 1.00 0.00 H new ATOM 0 H22 DG C 209 -1.870 -3.342 24.368 1.00 0.00 H new ATOM 2094 P DA C 210 4.739 -8.854 21.884 1.00 0.00 P ATOM 2095 OP1 DA C 210 4.779 -10.302 22.186 1.00 0.00 O ATOM 2096 OP2 DA C 210 5.590 -8.299 20.808 1.00 0.00 O ATOM 2097 O5' DA C 210 3.213 -8.444 21.583 1.00 0.00 O ATOM 2098 C5' DA C 210 2.165 -8.864 22.459 1.00 0.00 C ATOM 2099 C4' DA C 210 0.807 -8.368 21.978 1.00 0.00 C ATOM 2100 O4' DA C 210 0.793 -6.935 21.996 1.00 0.00 O ATOM 2101 C3' DA C 210 0.450 -8.814 20.554 1.00 0.00 C ATOM 2102 O3' DA C 210 -0.837 -9.437 20.561 1.00 0.00 O ATOM 2103 C2' DA C 210 0.404 -7.519 19.749 1.00 0.00 C ATOM 2104 C1' DA C 210 0.144 -6.471 20.816 1.00 0.00 C ATOM 2105 N9 DA C 210 0.693 -5.139 20.498 1.00 0.00 N ATOM 2106 C8 DA C 210 1.959 -4.804 20.113 1.00 0.00 C ATOM 2107 N7 DA C 210 2.152 -3.537 19.900 1.00 0.00 N ATOM 2108 C5 DA C 210 0.903 -2.979 20.167 1.00 0.00 C ATOM 2109 C6 DA C 210 0.426 -1.664 20.128 1.00 0.00 C ATOM 2110 N6 DA C 210 1.185 -0.624 19.785 1.00 0.00 N ATOM 2111 N1 DA C 210 -0.863 -1.462 20.451 1.00 0.00 N ATOM 2112 C2 DA C 210 -1.638 -2.493 20.793 1.00 0.00 C ATOM 2113 N3 DA C 210 -1.286 -3.774 20.861 1.00 0.00 N ATOM 2114 C4 DA C 210 0.009 -3.946 20.533 1.00 0.00 C ATOM 0 H5' DA C 210 2.356 -8.488 23.464 1.00 0.00 H new ATOM 0 H5'' DA C 210 2.155 -9.952 22.522 1.00 0.00 H new ATOM 0 H4' DA C 210 0.073 -8.802 22.657 1.00 0.00 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7.039 1.00 0.00 O ATOM 2226 C5' DA C 214 -7.002 4.856 7.491 1.00 0.00 C ATOM 2227 C4' DA C 214 -5.742 5.439 6.856 1.00 0.00 C ATOM 2228 O4' DA C 214 -4.621 4.595 7.166 1.00 0.00 O ATOM 2229 C3' DA C 214 -5.804 5.564 5.330 1.00 0.00 C ATOM 2230 O3' DA C 214 -5.206 6.803 4.929 1.00 0.00 O ATOM 2231 C2' DA C 214 -4.966 4.395 4.839 1.00 0.00 C ATOM 2232 C1' DA C 214 -3.947 4.253 5.955 1.00 0.00 C ATOM 2233 N9 DA C 214 -3.412 2.891 6.110 1.00 0.00 N ATOM 2234 C8 DA C 214 -4.080 1.702 6.144 1.00 0.00 C ATOM 2235 N7 DA C 214 -3.330 0.655 6.308 1.00 0.00 N ATOM 2236 C5 DA C 214 -2.048 1.196 6.388 1.00 0.00 C ATOM 2237 C6 DA C 214 -0.787 0.620 6.562 1.00 0.00 C ATOM 2238 N6 DA C 214 -0.599 -0.694 6.685 1.00 0.00 N ATOM 2239 N1 DA C 214 0.271 1.448 6.595 1.00 0.00 N ATOM 2240 C2 DA C 214 0.101 2.764 6.463 1.00 0.00 C ATOM 2241 N3 DA C 214 -1.047 3.410 6.297 1.00 0.00 N ATOM 2242 C4 DA C 214 -2.090 2.555 6.269 1.00 0.00 C ATOM 0 H5' DA C 214 -6.898 4.859 8.576 1.00 0.00 H new ATOM 0 H5'' DA C 214 -7.857 5.489 7.251 1.00 0.00 H new ATOM 0 H4' DA C 214 -5.645 6.443 7.268 1.00 0.00 H new ATOM 0 H3' DA C 214 -6.820 5.550 4.935 1.00 0.00 H new ATOM 0 H2' DA C 214 -5.561 3.491 4.711 1.00 0.00 H new ATOM 0 H2'' DA C 214 -4.494 4.605 3.879 1.00 0.00 H new ATOM 0 H1' DA C 214 -3.100 4.897 5.718 1.00 0.00 H new ATOM 0 H8 DA C 214 -5.153 1.637 6.042 1.00 0.00 H new ATOM 0 H61 DA C 214 0.343 -1.065 6.810 1.00 0.00 H new ATOM 0 H62 DA C 214 -1.397 -1.328 6.654 1.00 0.00 H new ATOM 0 H2 DA C 214 0.994 3.370 6.495 1.00 0.00 H new ATOM 2254 P DT C 215 -5.018 7.163 3.368 1.00 0.00 P ATOM 2255 OP1 DT C 215 -5.003 8.636 3.232 1.00 0.00 O ATOM 2256 OP2 DT C 215 -5.987 6.361 2.589 1.00 0.00 O ATOM 2257 O5' DT C 215 -3.537 6.612 3.052 1.00 0.00 O ATOM 2258 C5' DT C 215 -2.385 7.298 3.552 1.00 0.00 C ATOM 2259 C4' DT C 215 -1.091 6.580 3.175 1.00 0.00 C ATOM 2260 O4' DT C 215 -1.104 5.257 3.716 1.00 0.00 O ATOM 2261 C3' DT C 215 -0.861 6.440 1.662 1.00 0.00 C ATOM 2262 O3' DT C 215 0.309 7.175 1.286 1.00 0.00 O ATOM 2263 C2' DT C 215 -0.621 4.942 1.443 1.00 0.00 C ATOM 2264 C1' DT C 215 -0.338 4.437 2.847 1.00 0.00 C ATOM 2265 N1 DT C 215 -0.733 3.029 3.078 1.00 0.00 N ATOM 2266 C2 DT C 215 0.255 2.142 3.470 1.00 0.00 C ATOM 2267 O2 DT C 215 1.421 2.492 3.633 1.00 0.00 O ATOM 2268 N3 DT C 215 -0.149 0.835 3.669 1.00 0.00 N ATOM 2269 C4 DT C 215 -1.434 0.346 3.514 1.00 0.00 C ATOM 2270 O4 DT C 215 -1.682 -0.841 3.718 1.00 0.00 O ATOM 2271 C5 DT C 215 -2.397 1.343 3.103 1.00 0.00 C ATOM 2272 C7 DT C 215 -3.852 0.940 2.887 1.00 0.00 C ATOM 2273 C6 DT C 215 -2.029 2.624 2.903 1.00 0.00 C ATOM 0 H5' DT C 215 -2.453 7.380 4.637 1.00 0.00 H new ATOM 0 H5'' DT C 215 -2.366 8.313 3.156 1.00 0.00 H new ATOM 0 H4' DT C 215 -0.291 7.199 3.582 1.00 0.00 H new ATOM 0 H3' DT C 215 -1.697 6.818 1.074 1.00 0.00 H new ATOM 0 H2' DT C 215 -1.491 4.453 1.005 1.00 0.00 H new ATOM 0 H2'' DT C 215 0.218 4.761 0.771 1.00 0.00 H new ATOM 0 H1' DT C 215 0.738 4.481 3.016 1.00 0.00 H new ATOM 0 H3 DT C 215 0.567 0.169 3.957 1.00 0.00 H new ATOM 0 H71 DT C 215 -4.501 1.787 3.109 1.00 0.00 H new ATOM 0 H72 DT C 215 -3.995 0.635 1.850 1.00 0.00 H new ATOM 0 H73 DT C 215 -4.101 0.109 3.547 1.00 0.00 H new ATOM 0 H6 DT C 215 -2.772 3.346 2.598 1.00 0.00 H new ATOM 2286 P DG C 216 0.754 7.274 -0.260 1.00 0.00 P ATOM 2287 OP1 DG C 216 1.516 8.529 -0.442 1.00 0.00 O ATOM 2288 OP2 DG C 216 -0.435 7.006 -1.101 1.00 0.00 O ATOM 2289 O5' DG C 216 1.773 6.038 -0.423 1.00 0.00 O ATOM 2290 C5' DG C 216 3.108 6.127 0.086 1.00 0.00 C ATOM 2291 C4' DG C 216 3.952 4.922 -0.327 1.00 0.00 C ATOM 2292 O4' DG C 216 3.394 3.728 0.248 1.00 0.00 O ATOM 2293 C3' DG C 216 4.037 4.701 -1.844 1.00 0.00 C ATOM 2294 O3' DG C 216 5.370 4.385 -2.252 1.00 0.00 O ATOM 2295 C2' DG C 216 3.094 3.525 -2.070 1.00 0.00 C ATOM 2296 C1' DG C 216 3.264 2.749 -0.779 1.00 0.00 C ATOM 2297 N9 DG C 216 2.126 1.873 -0.434 1.00 0.00 N ATOM 2298 C8 DG C 216 0.789 2.145 -0.465 1.00 0.00 C ATOM 2299 N7 DG C 216 0.018 1.171 -0.088 1.00 0.00 N ATOM 2300 C5 DG C 216 0.918 0.154 0.223 1.00 0.00 C ATOM 2301 C6 DG C 216 0.674 -1.165 0.693 1.00 0.00 C ATOM 2302 O6 DG C 216 -0.403 -1.702 0.933 1.00 0.00 O ATOM 2303 N1 DG C 216 1.856 -1.867 0.878 1.00 0.00 N ATOM 2304 C2 DG C 216 3.118 -1.367 0.643 1.00 0.00 C ATOM 2305 N2 DG C 216 4.133 -2.197 0.882 1.00 0.00 N ATOM 2306 N3 DG C 216 3.354 -0.127 0.201 1.00 0.00 N ATOM 2307 C4 DG C 216 2.212 0.575 0.014 1.00 0.00 C ATOM 0 H5' DG C 216 3.079 6.195 1.173 1.00 0.00 H new ATOM 0 H5'' DG C 216 3.576 7.041 -0.279 1.00 0.00 H new ATOM 0 H4' DG C 216 4.958 5.133 0.034 1.00 0.00 H new ATOM 0 H3' DG C 216 3.768 5.585 -2.422 1.00 0.00 H new ATOM 0 H2' DG C 216 2.064 3.848 -2.222 1.00 0.00 H new ATOM 0 H2'' DG C 216 3.375 2.936 -2.943 1.00 0.00 H new ATOM 0 HO3' DG C 216 5.391 4.248 -3.222 1.00 0.00 H new ATOM 0 H1' DG C 216 4.125 2.090 -0.891 1.00 0.00 H new ATOM 0 H8 DG C 216 0.400 3.102 -0.781 1.00 0.00 H new ATOM 0 H1 DG C 216 1.785 -2.827 1.214 1.00 0.00 H new ATOM 0 H21 DG C 216 5.092 -1.887 0.728 1.00 0.00 H new ATOM 0 H22 DG C 216 3.950 -3.142 1.219 1.00 0.00 H new TER 2320 DG C 216 HETATM 2321 ZN ZN A 83 -16.213 -0.982 27.811 1.00 0.56 ZN HETATM 2322 ZN ZN A 84 0.330 15.779 16.071 1.00 0.27 ZN HETATM 2323 ZN ZN A 85 15.864 -3.958 10.171 1.00 0.70 ZN