USER MOD reduce.3.24.130724 H: found=0, std=0, add=1241, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1243 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 Set 1.1: A 76 CYS SG : rot -139:sc= -0.0178! USER MOD Set 1.2: B 6 DT C7 :methyl 150:sc= -7.39! (180deg=-5.38!) USER MOD Set 2.1: A 58 LYS NZ :NH3+ 146:sc= 0.559 (180deg=-0.573) USER MOD Set 2.2: A 72 SER OG : rot 180:sc= 0.865 USER MOD Set 2.3: A 75 THR OG1 : rot 130:sc= 1.59 USER MOD Set 2.4: C 22 DT C7 :methyl -30:sc= -4.22! (180deg=-5.08!) USER MOD Set 3.1: A 71 THR OG1 : rot -37:sc= 0.517 USER MOD Set 3.2: C 21 DT C7 :methyl -30:sc= -3.97! (180deg=-5.18!) USER MOD Set 4.1: A 67 ASN : amide:sc= -1.01 K(o=-4.9,f=-7.2!) USER MOD Set 4.2: A 70 SER OG : rot -14:sc= 1.2 USER MOD Set 4.3: B 8 DT C7 :methyl -30:sc= -5.08! (180deg=-5.27!) USER MOD Set 5.1: A 56 GLN :FLIP amide:sc= -0.35 F(o=-2.9!,f=-0.44) USER MOD Set 5.2: A 59 HIS :FLIP no HD1:sc= -0.0919 X(o=-0.69,f=-0.44) USER MOD Set 6.1: A 32 GLN : amide:sc= 0 X(o=-0.68,f=-0.68) USER MOD Set 6.2: A 34 ASN : amide:sc= -0.676 K(o=-0.68,f=-1.3) USER MOD Set 7.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 7.2: A 16 LYS NZ :NH3+ 177:sc= 1.28 (180deg=1.23) USER MOD Single : A 1 ARG N :NH3+ -163:sc= 1.11 (180deg=0.42) USER MOD Single : A 5 GLN : amide:sc= 1.25 K(o=1.3,f=-7.8!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0.0147 USER MOD Single : A 15 MET CE :methyl 168:sc= -1.4 (180deg=-1.77) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 70:sc= 0.187 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 2:sc= 0.0392 USER MOD Single : A 38 MET CE :methyl 160:sc= -0.0905 (180deg=-0.947) USER MOD Single : A 40 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.14) USER MOD Single : A 43 GLN : amide:sc= -0.136 K(o=-0.14,f=-0.76) USER MOD Single : A 44 LYS NZ :NH3+ -152:sc= 0.35 (180deg=-0.593) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 91:sc= 0.565 USER MOD Single : A 52 THR OG1 : rot 77:sc= 0.614 USER MOD Single : A 61 TYR OH : rot 180:sc= 0.935 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.04 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -6.49! C(o=-7.8!,f=-6.5!) USER MOD Single : A 81 TYR OH : rot 31:sc= 1.26 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -166:sc= 1.4 (180deg=1.23) USER MOD Single : A 98 LYS NZ :NH3+ -146:sc= -0.0349 (180deg=-0.761) USER MOD Single : A 104 LYS NZ :NH3+ 177:sc= -0.218 (180deg=-0.228) USER MOD Single : A 107 LYS NZ :NH3+ 147:sc= -0.0272 (180deg=-1.15) USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 13 DT C7 :methyl -30:sc= -3.7! (180deg=-5.07!) USER MOD Single : B 15 DG O3' : rot 180:sc= 0 USER MOD Single : C 24 DT C7 :methyl -30:sc= -3.83! (180deg=-5.1!) USER MOD Single : C 26 DT C7 :methyl -30:sc= -3.89! (180deg=-5.12!) USER MOD Single : C 27 DT C7 :methyl -30:sc= -4.18! (180deg=-5.08!) USER MOD Single : C 29 DT C7 :methyl -30:sc= -3.66! (180deg=-5.1!) USER MOD Single : C 29 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -15.178 10.733 8.846 1.00 1.75 N ATOM 2 CA ARG A 1 -15.377 9.282 9.116 1.00 1.74 C ATOM 3 C ARG A 1 -16.637 8.712 8.457 1.00 1.77 C ATOM 4 O ARG A 1 -16.564 7.791 7.633 1.00 1.74 O ATOM 5 CB ARG A 1 -15.297 8.992 10.635 1.00 1.77 C ATOM 6 CG ARG A 1 -15.291 7.495 11.005 1.00 1.77 C ATOM 7 CD ARG A 1 -16.681 6.975 11.400 1.00 1.83 C ATOM 8 NE ARG A 1 -16.663 5.522 11.627 1.00 1.84 N ATOM 9 CZ ARG A 1 -16.415 4.862 12.739 1.00 1.86 C ATOM 10 NH1 ARG A 1 -16.130 5.451 13.864 1.00 1.89 N ATOM 11 NH2 ARG A 1 -16.457 3.565 12.709 1.00 1.87 N ATOM 0 H1 ARG A 1 -14.194 10.994 9.060 1.00 1.75 H new ATOM 0 H2 ARG A 1 -15.378 10.930 7.845 1.00 1.75 H new ATOM 0 H3 ARG A 1 -15.822 11.289 9.444 1.00 1.75 H new ATOM 0 HA ARG A 1 -14.555 8.747 8.640 1.00 1.74 H new ATOM 0 HB2 ARG A 1 -14.393 9.454 11.032 1.00 1.77 H new ATOM 0 HB3 ARG A 1 -16.143 9.471 11.128 1.00 1.77 H new ATOM 0 HG2 ARG A 1 -14.919 6.918 10.159 1.00 1.77 H new ATOM 0 HG3 ARG A 1 -14.599 7.332 11.831 1.00 1.77 H new ATOM 0 HD2 ARG A 1 -17.018 7.482 12.304 1.00 1.83 H new ATOM 0 HD3 ARG A 1 -17.398 7.214 10.614 1.00 1.83 H new ATOM 0 HE ARG A 1 -16.871 4.947 10.811 1.00 1.84 H new ATOM 0 HH11 ARG A 1 -16.091 6.469 13.911 1.00 1.89 H new ATOM 0 HH12 ARG A 1 -15.946 4.894 14.699 1.00 1.89 H new ATOM 0 HH21 ARG A 1 -16.678 3.082 11.838 1.00 1.87 H new ATOM 0 HH22 ARG A 1 -16.269 3.029 13.556 1.00 1.87 H new ATOM 27 N ALA A 2 -17.809 9.223 8.848 1.00 1.84 N ATOM 28 CA ALA A 2 -19.090 8.618 8.471 1.00 1.89 C ATOM 29 C ALA A 2 -19.377 8.671 6.962 1.00 1.88 C ATOM 30 O ALA A 2 -19.893 7.708 6.399 1.00 1.89 O ATOM 31 CB ALA A 2 -20.204 9.300 9.277 1.00 1.97 C ATOM 0 H ALA A 2 -17.896 10.058 9.428 1.00 1.84 H new ATOM 0 HA ALA A 2 -19.044 7.555 8.709 1.00 1.89 H new ATOM 0 HB1 ALA A 2 -21.166 8.863 9.010 1.00 1.97 H new ATOM 0 HB2 ALA A 2 -20.023 9.156 10.342 1.00 1.97 H new ATOM 0 HB3 ALA A 2 -20.215 10.366 9.052 1.00 1.97 H new ATOM 37 N ASP A 3 -18.990 9.759 6.293 1.00 1.87 N ATOM 38 CA ASP A 3 -19.179 9.901 4.845 1.00 1.88 C ATOM 39 C ASP A 3 -18.213 9.028 4.024 1.00 1.81 C ATOM 40 O ASP A 3 -18.606 8.523 2.974 1.00 1.82 O ATOM 41 CB ASP A 3 -19.017 11.380 4.475 1.00 1.90 C ATOM 42 CG ASP A 3 -19.406 11.661 3.014 1.00 1.92 C ATOM 43 OD1 ASP A 3 -20.607 11.524 2.673 1.00 1.98 O ATOM 44 OD2 ASP A 3 -18.527 12.066 2.217 1.00 1.89 O ATOM 0 H ASP A 3 -18.540 10.561 6.734 1.00 1.87 H new ATOM 0 HA ASP A 3 -20.181 9.551 4.598 1.00 1.88 H new ATOM 0 HB2 ASP A 3 -19.634 11.988 5.137 1.00 1.90 H new ATOM 0 HB3 ASP A 3 -17.982 11.682 4.638 1.00 1.90 H new ATOM 49 N GLU A 4 -16.998 8.770 4.532 1.00 1.74 N ATOM 50 CA GLU A 4 -16.071 7.836 3.876 1.00 1.68 C ATOM 51 C GLU A 4 -16.631 6.418 3.978 1.00 1.69 C ATOM 52 O GLU A 4 -16.723 5.708 2.979 1.00 1.68 O ATOM 53 CB GLU A 4 -14.679 7.884 4.523 1.00 1.62 C ATOM 54 CG GLU A 4 -14.018 9.270 4.501 1.00 1.61 C ATOM 55 CD GLU A 4 -14.243 10.019 5.825 1.00 1.65 C ATOM 56 OE1 GLU A 4 -15.372 10.496 6.096 1.00 1.71 O ATOM 57 OE2 GLU A 4 -13.309 10.095 6.655 1.00 1.62 O ATOM 0 H GLU A 4 -16.637 9.191 5.388 1.00 1.74 H new ATOM 0 HA GLU A 4 -15.970 8.129 2.831 1.00 1.68 H new ATOM 0 HB2 GLU A 4 -14.761 7.550 5.557 1.00 1.62 H new ATOM 0 HB3 GLU A 4 -14.028 7.176 4.010 1.00 1.62 H new ATOM 0 HG2 GLU A 4 -12.949 9.162 4.319 1.00 1.61 H new ATOM 0 HG3 GLU A 4 -14.424 9.856 3.676 1.00 1.61 H new ATOM 64 N GLN A 5 -17.102 6.033 5.172 1.00 1.72 N ATOM 65 CA GLN A 5 -17.751 4.733 5.339 1.00 1.75 C ATOM 66 C GLN A 5 -19.002 4.592 4.456 1.00 1.81 C ATOM 67 O GLN A 5 -19.120 3.605 3.730 1.00 1.81 O ATOM 68 CB GLN A 5 -18.046 4.422 6.813 1.00 1.78 C ATOM 69 CG GLN A 5 -16.752 4.128 7.600 1.00 1.73 C ATOM 70 CD GLN A 5 -16.964 3.069 8.677 1.00 1.77 C ATOM 71 OE1 GLN A 5 -17.059 3.351 9.865 1.00 1.80 O ATOM 72 NE2 GLN A 5 -17.051 1.808 8.312 1.00 1.77 N ATOM 0 H GLN A 5 -17.046 6.595 6.021 1.00 1.72 H new ATOM 0 HA GLN A 5 -17.040 3.981 4.995 1.00 1.75 H new ATOM 0 HB2 GLN A 5 -18.565 5.266 7.267 1.00 1.78 H new ATOM 0 HB3 GLN A 5 -18.715 3.564 6.878 1.00 1.78 H new ATOM 0 HG2 GLN A 5 -15.977 3.793 6.911 1.00 1.73 H new ATOM 0 HG3 GLN A 5 -16.392 5.047 8.062 1.00 1.73 H new ATOM 0 HE21 GLN A 5 -16.974 1.556 7.327 1.00 1.77 H new ATOM 0 HE22 GLN A 5 -17.195 1.083 9.014 1.00 1.77 H new ATOM 81 N ALA A 6 -19.885 5.594 4.416 1.00 1.86 N ATOM 82 CA ALA A 6 -21.039 5.598 3.513 1.00 1.92 C ATOM 83 C ALA A 6 -20.627 5.445 2.036 1.00 1.90 C ATOM 84 O ALA A 6 -21.139 4.561 1.341 1.00 1.92 O ATOM 85 CB ALA A 6 -21.849 6.878 3.751 1.00 1.98 C ATOM 0 H ALA A 6 -19.820 6.423 5.007 1.00 1.86 H new ATOM 0 HA ALA A 6 -21.662 4.731 3.734 1.00 1.92 H new ATOM 0 HB1 ALA A 6 -22.711 6.892 3.084 1.00 1.98 H new ATOM 0 HB2 ALA A 6 -22.190 6.906 4.786 1.00 1.98 H new ATOM 0 HB3 ALA A 6 -21.222 7.747 3.552 1.00 1.98 H new ATOM 91 N PHE A 7 -19.648 6.226 1.560 1.00 1.85 N ATOM 92 CA PHE A 7 -19.183 6.121 0.174 1.00 1.83 C ATOM 93 C PHE A 7 -18.315 4.881 -0.097 1.00 1.77 C ATOM 94 O PHE A 7 -18.207 4.481 -1.262 1.00 1.78 O ATOM 95 CB PHE A 7 -18.597 7.457 -0.330 1.00 1.82 C ATOM 96 CG PHE A 7 -17.136 7.818 -0.087 1.00 1.75 C ATOM 97 CD1 PHE A 7 -16.100 7.069 -0.683 1.00 1.69 C ATOM 98 CD2 PHE A 7 -16.811 9.030 0.558 1.00 1.75 C ATOM 99 CE1 PHE A 7 -14.769 7.507 -0.604 1.00 1.63 C ATOM 100 CE2 PHE A 7 -15.474 9.458 0.654 1.00 1.69 C ATOM 101 CZ PHE A 7 -14.449 8.693 0.076 1.00 1.63 C ATOM 0 H PHE A 7 -19.165 6.934 2.113 1.00 1.85 H new ATOM 0 HA PHE A 7 -20.061 5.938 -0.446 1.00 1.83 H new ATOM 0 HB2 PHE A 7 -18.758 7.489 -1.408 1.00 1.82 H new ATOM 0 HB3 PHE A 7 -19.199 8.254 0.107 1.00 1.82 H new ATOM 0 HD1 PHE A 7 -16.333 6.152 -1.204 1.00 1.69 H new ATOM 0 HD2 PHE A 7 -17.597 9.636 0.983 1.00 1.75 H new ATOM 0 HE1 PHE A 7 -13.985 6.928 -1.070 1.00 1.63 H new ATOM 0 HE2 PHE A 7 -15.237 10.375 1.172 1.00 1.69 H new ATOM 0 HZ PHE A 7 -13.421 9.014 0.154 1.00 1.63 H new ATOM 111 N LEU A 8 -17.810 4.186 0.942 1.00 1.73 N ATOM 112 CA LEU A 8 -17.144 2.899 0.681 1.00 1.69 C ATOM 113 C LEU A 8 -18.121 1.722 0.818 1.00 1.75 C ATOM 114 O LEU A 8 -17.834 0.644 0.310 1.00 1.73 O ATOM 115 CB LEU A 8 -15.921 2.742 1.607 1.00 1.63 C ATOM 116 CG LEU A 8 -14.572 2.677 0.875 1.00 1.56 C ATOM 117 CD1 LEU A 8 -14.392 1.313 0.218 1.00 1.55 C ATOM 118 CD2 LEU A 8 -14.349 3.798 -0.146 1.00 1.55 C ATOM 0 H LEU A 8 -17.847 4.475 1.919 1.00 1.73 H new ATOM 0 HA LEU A 8 -16.793 2.892 -0.351 1.00 1.69 H new ATOM 0 HB2 LEU A 8 -15.901 3.578 2.306 1.00 1.63 H new ATOM 0 HB3 LEU A 8 -16.043 1.835 2.199 1.00 1.63 H new ATOM 0 HG LEU A 8 -13.812 2.826 1.642 1.00 1.56 H new ATOM 0 HD11 LEU A 8 -13.432 1.281 -0.297 1.00 1.55 H new ATOM 0 HD12 LEU A 8 -14.421 0.535 0.981 1.00 1.55 H new ATOM 0 HD13 LEU A 8 -15.195 1.146 -0.500 1.00 1.55 H new ATOM 0 HD21 LEU A 8 -13.373 3.674 -0.615 1.00 1.55 H new ATOM 0 HD22 LEU A 8 -15.126 3.755 -0.909 1.00 1.55 H new ATOM 0 HD23 LEU A 8 -14.389 4.763 0.359 1.00 1.55 H new ATOM 130 N VAL A 9 -19.294 1.917 1.440 1.00 1.81 N ATOM 131 CA VAL A 9 -20.395 0.936 1.363 1.00 1.87 C ATOM 132 C VAL A 9 -21.056 1.023 -0.020 1.00 1.92 C ATOM 133 O VAL A 9 -21.362 -0.005 -0.633 1.00 1.94 O ATOM 134 CB VAL A 9 -21.412 1.143 2.507 1.00 1.93 C ATOM 135 CG1 VAL A 9 -22.715 0.355 2.313 1.00 2.01 C ATOM 136 CG2 VAL A 9 -20.804 0.677 3.837 1.00 1.91 C ATOM 0 H VAL A 9 -19.507 2.742 2.001 1.00 1.81 H new ATOM 0 HA VAL A 9 -19.992 -0.069 1.490 1.00 1.87 H new ATOM 0 HB VAL A 9 -21.642 2.208 2.508 1.00 1.93 H new ATOM 0 HG11 VAL A 9 -23.384 0.546 3.152 1.00 2.01 H new ATOM 0 HG12 VAL A 9 -23.196 0.669 1.387 1.00 2.01 H new ATOM 0 HG13 VAL A 9 -22.492 -0.711 2.262 1.00 2.01 H new ATOM 0 HG21 VAL A 9 -21.527 0.826 4.639 1.00 1.91 H new ATOM 0 HG22 VAL A 9 -20.549 -0.381 3.770 1.00 1.91 H new ATOM 0 HG23 VAL A 9 -19.904 1.254 4.048 1.00 1.91 H new ATOM 146 N ALA A 10 -21.190 2.236 -0.566 1.00 1.93 N ATOM 147 CA ALA A 10 -21.597 2.426 -1.958 1.00 1.97 C ATOM 148 C ALA A 10 -20.579 1.825 -2.947 1.00 1.92 C ATOM 149 O ALA A 10 -20.982 1.087 -3.856 1.00 1.96 O ATOM 150 CB ALA A 10 -21.815 3.924 -2.207 1.00 1.99 C ATOM 0 H ALA A 10 -21.021 3.105 -0.059 1.00 1.93 H new ATOM 0 HA ALA A 10 -22.531 1.891 -2.131 1.00 1.97 H new ATOM 0 HB1 ALA A 10 -22.119 4.080 -3.242 1.00 1.99 H new ATOM 0 HB2 ALA A 10 -22.594 4.294 -1.540 1.00 1.99 H new ATOM 0 HB3 ALA A 10 -20.887 4.463 -2.016 1.00 1.99 H new ATOM 156 N LEU A 11 -19.267 2.055 -2.742 1.00 1.84 N ATOM 157 CA LEU A 11 -18.250 1.326 -3.512 1.00 1.80 C ATOM 158 C LEU A 11 -18.345 -0.180 -3.284 1.00 1.80 C ATOM 159 O LEU A 11 -18.273 -0.903 -4.263 1.00 1.82 O ATOM 160 CB LEU A 11 -16.816 1.799 -3.236 1.00 1.71 C ATOM 161 CG LEU A 11 -15.765 1.020 -4.069 1.00 1.67 C ATOM 162 CD1 LEU A 11 -15.909 1.190 -5.582 1.00 1.71 C ATOM 163 CD2 LEU A 11 -14.364 1.488 -3.707 1.00 1.59 C ATOM 0 H LEU A 11 -18.897 2.723 -2.066 1.00 1.84 H new ATOM 0 HA LEU A 11 -18.470 1.549 -4.556 1.00 1.80 H new ATOM 0 HB2 LEU A 11 -16.738 2.863 -3.461 1.00 1.71 H new ATOM 0 HB3 LEU A 11 -16.595 1.680 -2.175 1.00 1.71 H new ATOM 0 HG LEU A 11 -15.935 -0.029 -3.825 1.00 1.67 H new ATOM 0 HD11 LEU A 11 -15.135 0.613 -6.088 1.00 1.71 H new ATOM 0 HD12 LEU A 11 -16.891 0.835 -5.896 1.00 1.71 H new ATOM 0 HD13 LEU A 11 -15.804 2.243 -5.841 1.00 1.71 H new ATOM 0 HD21 LEU A 11 -13.632 0.936 -4.297 1.00 1.59 H new ATOM 0 HD22 LEU A 11 -14.270 2.553 -3.918 1.00 1.59 H new ATOM 0 HD23 LEU A 11 -14.184 1.311 -2.647 1.00 1.59 H new ATOM 175 N TYR A 12 -18.524 -0.676 -2.058 1.00 1.80 N ATOM 176 CA TYR A 12 -18.644 -2.116 -1.795 1.00 1.81 C ATOM 177 C TYR A 12 -19.737 -2.757 -2.654 1.00 1.89 C ATOM 178 O TYR A 12 -19.475 -3.778 -3.294 1.00 1.89 O ATOM 179 CB TYR A 12 -18.878 -2.392 -0.303 1.00 1.82 C ATOM 180 CG TYR A 12 -19.335 -3.805 0.012 1.00 1.86 C ATOM 181 CD1 TYR A 12 -18.541 -4.908 -0.359 1.00 1.84 C ATOM 182 CD2 TYR A 12 -20.591 -4.017 0.618 1.00 1.94 C ATOM 183 CE1 TYR A 12 -19.003 -6.220 -0.136 1.00 1.89 C ATOM 184 CE2 TYR A 12 -21.051 -5.326 0.851 1.00 1.99 C ATOM 185 CZ TYR A 12 -20.261 -6.434 0.471 1.00 1.96 C ATOM 186 OH TYR A 12 -20.711 -7.701 0.679 1.00 2.02 O ATOM 0 H TYR A 12 -18.590 -0.096 -1.222 1.00 1.80 H new ATOM 0 HA TYR A 12 -17.697 -2.577 -2.075 1.00 1.81 H new ATOM 0 HB2 TYR A 12 -17.954 -2.193 0.240 1.00 1.82 H new ATOM 0 HB3 TYR A 12 -19.624 -1.691 0.071 1.00 1.82 H new ATOM 0 HD1 TYR A 12 -17.576 -4.747 -0.816 1.00 1.84 H new ATOM 0 HD2 TYR A 12 -21.201 -3.173 0.904 1.00 1.94 H new ATOM 0 HE1 TYR A 12 -18.395 -7.063 -0.429 1.00 1.89 H new ATOM 0 HE2 TYR A 12 -22.010 -5.484 1.321 1.00 1.99 H new ATOM 0 HH TYR A 12 -21.592 -7.669 1.107 1.00 2.02 H new ATOM 196 N LYS A 13 -20.916 -2.126 -2.752 1.00 1.95 N ATOM 197 CA LYS A 13 -21.955 -2.572 -3.689 1.00 2.03 C ATOM 198 C LYS A 13 -21.472 -2.511 -5.139 1.00 2.02 C ATOM 199 O LYS A 13 -21.470 -3.554 -5.801 1.00 2.05 O ATOM 200 CB LYS A 13 -23.252 -1.781 -3.440 1.00 2.10 C ATOM 201 CG LYS A 13 -24.424 -2.324 -4.276 1.00 2.18 C ATOM 202 CD LYS A 13 -25.740 -1.566 -4.033 1.00 2.25 C ATOM 203 CE LYS A 13 -26.278 -1.769 -2.609 1.00 2.27 C ATOM 204 NZ LYS A 13 -27.593 -1.099 -2.422 1.00 2.34 N ATOM 0 H LYS A 13 -21.172 -1.310 -2.197 1.00 1.95 H new ATOM 0 HA LYS A 13 -22.177 -3.624 -3.507 1.00 2.03 H new ATOM 0 HB2 LYS A 13 -23.508 -1.828 -2.382 1.00 2.10 H new ATOM 0 HB3 LYS A 13 -23.089 -0.731 -3.682 1.00 2.10 H new ATOM 0 HG2 LYS A 13 -24.167 -2.264 -5.334 1.00 2.18 H new ATOM 0 HG3 LYS A 13 -24.571 -3.379 -4.043 1.00 2.18 H new ATOM 0 HD2 LYS A 13 -25.582 -0.502 -4.210 1.00 2.25 H new ATOM 0 HD3 LYS A 13 -26.487 -1.901 -4.752 1.00 2.25 H new ATOM 0 HE2 LYS A 13 -26.380 -2.835 -2.406 1.00 2.27 H new ATOM 0 HE3 LYS A 13 -25.562 -1.374 -1.889 1.00 2.27 H new ATOM 0 HZ1 LYS A 13 -27.927 -1.256 -1.450 1.00 2.34 H new ATOM 0 HZ2 LYS A 13 -27.490 -0.078 -2.592 1.00 2.34 H new ATOM 0 HZ3 LYS A 13 -28.282 -1.494 -3.093 1.00 2.34 H new ATOM 218 N TYR A 14 -21.003 -1.358 -5.634 1.00 2.00 N ATOM 219 CA TYR A 14 -20.493 -1.299 -7.011 1.00 2.00 C ATOM 220 C TYR A 14 -19.356 -2.282 -7.345 1.00 1.95 C ATOM 221 O TYR A 14 -19.372 -2.891 -8.412 1.00 1.99 O ATOM 222 CB TYR A 14 -20.060 0.148 -7.289 1.00 1.98 C ATOM 223 CG TYR A 14 -19.780 0.442 -8.750 1.00 2.01 C ATOM 224 CD1 TYR A 14 -20.856 0.681 -9.628 1.00 2.10 C ATOM 225 CD2 TYR A 14 -18.457 0.466 -9.235 1.00 1.96 C ATOM 226 CE1 TYR A 14 -20.615 0.942 -10.989 1.00 2.14 C ATOM 227 CE2 TYR A 14 -18.212 0.719 -10.600 1.00 1.99 C ATOM 228 CZ TYR A 14 -19.292 0.956 -11.480 1.00 2.09 C ATOM 229 OH TYR A 14 -19.052 1.164 -12.803 1.00 2.13 O ATOM 0 H TYR A 14 -20.966 -0.478 -5.120 1.00 2.00 H new ATOM 0 HA TYR A 14 -21.307 -1.618 -7.662 1.00 2.00 H new ATOM 0 HB2 TYR A 14 -20.840 0.823 -6.937 1.00 1.98 H new ATOM 0 HB3 TYR A 14 -19.164 0.366 -6.708 1.00 1.98 H new ATOM 0 HD1 TYR A 14 -21.869 0.664 -9.255 1.00 2.10 H new ATOM 0 HD2 TYR A 14 -17.631 0.291 -8.561 1.00 1.96 H new ATOM 0 HE1 TYR A 14 -21.442 1.132 -11.658 1.00 2.14 H new ATOM 0 HE2 TYR A 14 -17.199 0.732 -10.973 1.00 1.99 H new ATOM 0 HH TYR A 14 -18.086 1.143 -12.968 1.00 2.13 H new ATOM 239 N MET A 15 -18.387 -2.487 -6.448 1.00 1.88 N ATOM 240 CA MET A 15 -17.250 -3.372 -6.687 1.00 1.83 C ATOM 241 C MET A 15 -17.641 -4.852 -6.566 1.00 1.86 C ATOM 242 O MET A 15 -17.118 -5.677 -7.318 1.00 1.86 O ATOM 243 CB MET A 15 -16.022 -2.963 -5.866 1.00 1.74 C ATOM 244 CG MET A 15 -16.072 -3.304 -4.378 1.00 1.72 C ATOM 245 SD MET A 15 -14.783 -2.516 -3.366 1.00 1.62 S ATOM 246 CE MET A 15 -13.275 -2.893 -4.304 1.00 1.57 C ATOM 0 H MET A 15 -18.372 -2.040 -5.531 1.00 1.88 H new ATOM 0 HA MET A 15 -16.941 -3.251 -7.725 1.00 1.83 H new ATOM 0 HB2 MET A 15 -15.143 -3.441 -6.299 1.00 1.74 H new ATOM 0 HB3 MET A 15 -15.882 -1.887 -5.968 1.00 1.74 H new ATOM 0 HG2 MET A 15 -17.047 -3.015 -3.987 1.00 1.72 H new ATOM 0 HG3 MET A 15 -15.991 -4.385 -4.265 1.00 1.72 H new ATOM 0 HE1 MET A 15 -12.448 -2.297 -3.918 1.00 1.57 H new ATOM 0 HE2 MET A 15 -13.038 -3.952 -4.201 1.00 1.57 H new ATOM 0 HE3 MET A 15 -13.433 -2.657 -5.356 1.00 1.57 H new ATOM 256 N LYS A 16 -18.627 -5.204 -5.720 1.00 1.90 N ATOM 257 CA LYS A 16 -19.229 -6.548 -5.738 1.00 1.96 C ATOM 258 C LYS A 16 -19.960 -6.812 -7.063 1.00 2.03 C ATOM 259 O LYS A 16 -19.809 -7.886 -7.641 1.00 2.05 O ATOM 260 CB LYS A 16 -20.135 -6.712 -4.507 1.00 1.99 C ATOM 261 CG LYS A 16 -20.673 -8.142 -4.368 1.00 2.05 C ATOM 262 CD LYS A 16 -21.114 -8.421 -2.924 1.00 2.07 C ATOM 263 CE LYS A 16 -21.698 -9.834 -2.812 1.00 2.13 C ATOM 264 NZ LYS A 16 -21.812 -10.253 -1.395 1.00 2.15 N ATOM 0 H LYS A 16 -19.022 -4.578 -5.018 1.00 1.90 H new ATOM 0 HA LYS A 16 -18.446 -7.304 -5.679 1.00 1.96 H new ATOM 0 HB2 LYS A 16 -19.576 -6.447 -3.609 1.00 1.99 H new ATOM 0 HB3 LYS A 16 -20.971 -6.017 -4.579 1.00 1.99 H new ATOM 0 HG2 LYS A 16 -21.516 -8.286 -5.044 1.00 2.05 H new ATOM 0 HG3 LYS A 16 -19.903 -8.855 -4.662 1.00 2.05 H new ATOM 0 HD2 LYS A 16 -20.264 -8.317 -2.250 1.00 2.07 H new ATOM 0 HD3 LYS A 16 -21.858 -7.687 -2.615 1.00 2.07 H new ATOM 0 HE2 LYS A 16 -22.680 -9.863 -3.283 1.00 2.13 H new ATOM 0 HE3 LYS A 16 -21.064 -10.537 -3.353 1.00 2.13 H new ATOM 0 HZ1 LYS A 16 -22.257 -11.192 -1.345 1.00 2.15 H new ATOM 0 HZ2 LYS A 16 -20.865 -10.296 -0.968 1.00 2.15 H new ATOM 0 HZ3 LYS A 16 -22.395 -9.566 -0.876 1.00 2.15 H new ATOM 278 N GLU A 17 -20.628 -5.794 -7.610 1.00 2.07 N ATOM 279 CA GLU A 17 -21.181 -5.840 -8.982 1.00 2.13 C ATOM 280 C GLU A 17 -20.095 -5.777 -10.095 1.00 2.10 C ATOM 281 O GLU A 17 -20.413 -5.833 -11.286 1.00 2.16 O ATOM 282 CB GLU A 17 -22.222 -4.711 -9.117 1.00 2.18 C ATOM 283 CG GLU A 17 -23.247 -4.934 -10.237 1.00 2.27 C ATOM 284 CD GLU A 17 -24.367 -3.877 -10.179 1.00 2.33 C ATOM 285 OE1 GLU A 17 -24.232 -2.803 -10.816 1.00 2.34 O ATOM 286 OE2 GLU A 17 -25.402 -4.116 -9.511 1.00 2.37 O ATOM 0 H GLU A 17 -20.805 -4.915 -7.124 1.00 2.07 H new ATOM 0 HA GLU A 17 -21.658 -6.808 -9.132 1.00 2.13 H new ATOM 0 HB2 GLU A 17 -22.752 -4.605 -8.170 1.00 2.18 H new ATOM 0 HB3 GLU A 17 -21.701 -3.771 -9.298 1.00 2.18 H new ATOM 0 HG2 GLU A 17 -22.749 -4.888 -11.205 1.00 2.27 H new ATOM 0 HG3 GLU A 17 -23.678 -5.931 -10.147 1.00 2.27 H new ATOM 293 N ARG A 18 -18.809 -5.686 -9.717 1.00 2.02 N ATOM 294 CA ARG A 18 -17.670 -5.743 -10.664 1.00 1.99 C ATOM 295 C ARG A 18 -16.725 -6.929 -10.378 1.00 1.95 C ATOM 296 O ARG A 18 -15.570 -6.929 -10.808 1.00 1.90 O ATOM 297 CB ARG A 18 -16.956 -4.368 -10.739 1.00 1.94 C ATOM 298 CG ARG A 18 -17.518 -3.448 -11.840 1.00 2.01 C ATOM 299 CD ARG A 18 -18.836 -2.753 -11.480 1.00 2.06 C ATOM 300 NE ARG A 18 -19.441 -2.111 -12.661 1.00 2.13 N ATOM 301 CZ ARG A 18 -20.320 -2.642 -13.493 1.00 2.22 C ATOM 302 NH1 ARG A 18 -20.782 -3.855 -13.360 1.00 2.24 N ATOM 303 NH2 ARG A 18 -20.752 -1.950 -14.507 1.00 2.28 N ATOM 0 H ARG A 18 -18.524 -5.570 -8.745 1.00 2.02 H new ATOM 0 HA ARG A 18 -18.061 -5.944 -11.661 1.00 1.99 H new ATOM 0 HB2 ARG A 18 -17.046 -3.867 -9.775 1.00 1.94 H new ATOM 0 HB3 ARG A 18 -15.893 -4.528 -10.917 1.00 1.94 H new ATOM 0 HG2 ARG A 18 -16.774 -2.687 -12.074 1.00 2.01 H new ATOM 0 HG3 ARG A 18 -17.668 -4.036 -12.745 1.00 2.01 H new ATOM 0 HD2 ARG A 18 -19.532 -3.481 -11.062 1.00 2.06 H new ATOM 0 HD3 ARG A 18 -18.656 -2.005 -10.708 1.00 2.06 H new ATOM 0 HE ARG A 18 -19.150 -1.153 -12.857 1.00 2.13 H new ATOM 0 HH11 ARG A 18 -20.465 -4.439 -12.586 1.00 2.24 H new ATOM 0 HH12 ARG A 18 -21.460 -4.219 -14.030 1.00 2.24 H new ATOM 0 HH21 ARG A 18 -20.412 -1.000 -14.658 1.00 2.28 H new ATOM 0 HH22 ARG A 18 -21.430 -2.357 -15.151 1.00 2.28 H new ATOM 317 N LYS A 19 -17.215 -7.961 -9.669 1.00 1.97 N ATOM 318 CA LYS A 19 -16.524 -9.231 -9.346 1.00 1.95 C ATOM 319 C LYS A 19 -15.280 -9.011 -8.476 1.00 1.86 C ATOM 320 O LYS A 19 -14.379 -9.854 -8.420 1.00 1.84 O ATOM 321 CB LYS A 19 -16.247 -10.054 -10.626 1.00 1.99 C ATOM 322 CG LYS A 19 -17.518 -10.326 -11.451 1.00 2.09 C ATOM 323 CD LYS A 19 -17.201 -11.166 -12.695 1.00 2.13 C ATOM 324 CE LYS A 19 -18.475 -11.389 -13.520 1.00 2.22 C ATOM 325 NZ LYS A 19 -18.201 -12.177 -14.751 1.00 2.27 N ATOM 0 H LYS A 19 -18.158 -7.934 -9.282 1.00 1.97 H new ATOM 0 HA LYS A 19 -17.195 -9.832 -8.733 1.00 1.95 H new ATOM 0 HB2 LYS A 19 -15.525 -9.521 -11.245 1.00 1.99 H new ATOM 0 HB3 LYS A 19 -15.790 -11.004 -10.349 1.00 1.99 H new ATOM 0 HG2 LYS A 19 -18.251 -10.846 -10.834 1.00 2.09 H new ATOM 0 HG3 LYS A 19 -17.969 -9.380 -11.752 1.00 2.09 H new ATOM 0 HD2 LYS A 19 -16.449 -10.662 -13.302 1.00 2.13 H new ATOM 0 HD3 LYS A 19 -16.779 -12.126 -12.397 1.00 2.13 H new ATOM 0 HE2 LYS A 19 -19.216 -11.909 -12.912 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -18.905 -10.425 -13.793 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -19.085 -12.308 -15.283 1.00 2.27 H new ATOM 0 HZ2 LYS A 19 -17.513 -11.669 -15.342 1.00 2.27 H new ATOM 0 HZ3 LYS A 19 -17.814 -13.106 -14.489 1.00 2.27 H new ATOM 339 N THR A 20 -15.263 -7.877 -7.771 1.00 1.82 N ATOM 340 CA THR A 20 -14.123 -7.467 -6.952 1.00 1.73 C ATOM 341 C THR A 20 -14.593 -6.936 -5.584 1.00 1.72 C ATOM 342 O THR A 20 -14.302 -5.791 -5.247 1.00 1.68 O ATOM 343 CB THR A 20 -13.224 -6.455 -7.710 1.00 1.69 C ATOM 344 OG1 THR A 20 -12.983 -6.875 -9.038 1.00 1.72 O ATOM 345 CG2 THR A 20 -11.835 -6.298 -7.085 1.00 1.61 C ATOM 0 H THR A 20 -16.041 -7.218 -7.753 1.00 1.82 H new ATOM 0 HA THR A 20 -13.505 -8.343 -6.755 1.00 1.73 H new ATOM 0 HB THR A 20 -13.776 -5.516 -7.663 1.00 1.69 H new ATOM 0 HG1 THR A 20 -13.808 -6.797 -9.561 1.00 1.72 H new ATOM 0 HG21 THR A 20 -11.256 -5.577 -7.662 1.00 1.61 H new ATOM 0 HG22 THR A 20 -11.936 -5.945 -6.059 1.00 1.61 H new ATOM 0 HG23 THR A 20 -11.323 -7.260 -7.089 1.00 1.61 H new ATOM 353 N PRO A 21 -15.374 -7.702 -4.793 1.00 1.76 N ATOM 354 CA PRO A 21 -15.879 -7.250 -3.491 1.00 1.76 C ATOM 355 C PRO A 21 -14.757 -7.055 -2.454 1.00 1.69 C ATOM 356 O PRO A 21 -13.699 -7.676 -2.540 1.00 1.66 O ATOM 357 CB PRO A 21 -16.853 -8.347 -3.046 1.00 1.84 C ATOM 358 CG PRO A 21 -16.294 -9.608 -3.697 1.00 1.85 C ATOM 359 CD PRO A 21 -15.780 -9.082 -5.034 1.00 1.82 C ATOM 0 HA PRO A 21 -16.355 -6.273 -3.574 1.00 1.76 H new ATOM 0 HB2 PRO A 21 -16.886 -8.437 -1.960 1.00 1.84 H new ATOM 0 HB3 PRO A 21 -17.870 -8.140 -3.380 1.00 1.84 H new ATOM 0 HG2 PRO A 21 -15.497 -10.054 -3.102 1.00 1.85 H new ATOM 0 HG3 PRO A 21 -17.060 -10.372 -3.828 1.00 1.85 H new ATOM 0 HD2 PRO A 21 -14.941 -9.679 -5.392 1.00 1.82 H new ATOM 0 HD3 PRO A 21 -16.556 -9.133 -5.798 1.00 1.82 H new ATOM 367 N ILE A 22 -15.028 -6.279 -1.399 1.00 1.68 N ATOM 368 CA ILE A 22 -14.130 -6.202 -0.217 1.00 1.64 C ATOM 369 C ILE A 22 -13.966 -7.594 0.449 1.00 1.67 C ATOM 370 O ILE A 22 -12.953 -7.889 1.077 1.00 1.64 O ATOM 371 CB ILE A 22 -14.636 -5.092 0.744 1.00 1.64 C ATOM 372 CG1 ILE A 22 -14.538 -3.726 0.036 1.00 1.61 C ATOM 373 CG2 ILE A 22 -13.854 -5.067 2.072 1.00 1.61 C ATOM 374 CD1 ILE A 22 -15.078 -2.534 0.834 1.00 1.62 C ATOM 0 H ILE A 22 -15.859 -5.692 -1.329 1.00 1.68 H new ATOM 0 HA ILE A 22 -13.124 -5.916 -0.525 1.00 1.64 H new ATOM 0 HB ILE A 22 -15.674 -5.309 0.995 1.00 1.64 H new ATOM 0 HG12 ILE A 22 -13.493 -3.536 -0.207 1.00 1.61 H new ATOM 0 HG13 ILE A 22 -15.079 -3.785 -0.908 1.00 1.61 H new ATOM 0 HG21 ILE A 22 -14.245 -4.274 2.710 1.00 1.61 H new ATOM 0 HG22 ILE A 22 -13.964 -6.027 2.577 1.00 1.61 H new ATOM 0 HG23 ILE A 22 -12.799 -4.883 1.870 1.00 1.61 H new ATOM 0 HD11 ILE A 22 -14.963 -1.622 0.248 1.00 1.62 H new ATOM 0 HD12 ILE A 22 -16.134 -2.692 1.055 1.00 1.62 H new ATOM 0 HD13 ILE A 22 -14.522 -2.439 1.767 1.00 1.62 H new ATOM 386 N GLU A 23 -14.940 -8.477 0.206 1.00 1.74 N ATOM 387 CA GLU A 23 -14.834 -9.912 0.543 1.00 1.78 C ATOM 388 C GLU A 23 -13.590 -10.642 -0.038 1.00 1.75 C ATOM 389 O GLU A 23 -13.272 -11.740 0.430 1.00 1.78 O ATOM 390 CB GLU A 23 -16.123 -10.655 0.154 1.00 1.87 C ATOM 391 CG GLU A 23 -17.362 -10.124 0.887 1.00 1.91 C ATOM 392 CD GLU A 23 -18.595 -10.990 0.576 1.00 2.00 C ATOM 393 OE1 GLU A 23 -19.254 -10.755 -0.465 1.00 2.02 O ATOM 394 OE2 GLU A 23 -18.917 -11.910 1.367 1.00 2.06 O ATOM 0 H GLU A 23 -15.827 -8.223 -0.230 1.00 1.74 H new ATOM 0 HA GLU A 23 -14.695 -9.935 1.624 1.00 1.78 H new ATOM 0 HB2 GLU A 23 -16.277 -10.566 -0.921 1.00 1.87 H new ATOM 0 HB3 GLU A 23 -16.005 -11.716 0.372 1.00 1.87 H new ATOM 0 HG2 GLU A 23 -17.179 -10.117 1.961 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -17.552 -9.093 0.589 1.00 1.91 H new ATOM 401 N ARG A 24 -12.842 -10.048 -0.993 1.00 1.69 N ATOM 402 CA ARG A 24 -11.528 -10.538 -1.485 1.00 1.65 C ATOM 403 C ARG A 24 -10.336 -9.620 -1.132 1.00 1.57 C ATOM 404 O ARG A 24 -9.232 -9.812 -1.645 1.00 1.53 O ATOM 405 CB ARG A 24 -11.612 -10.918 -2.982 1.00 1.67 C ATOM 406 CG ARG A 24 -11.381 -9.772 -3.989 1.00 1.62 C ATOM 407 CD ARG A 24 -11.773 -10.164 -5.423 1.00 1.67 C ATOM 408 NE ARG A 24 -10.922 -11.234 -5.974 1.00 1.67 N ATOM 409 CZ ARG A 24 -11.056 -11.831 -7.149 1.00 1.72 C ATOM 410 NH1 ARG A 24 -12.006 -11.537 -7.994 1.00 1.77 N ATOM 411 NH2 ARG A 24 -10.214 -12.759 -7.505 1.00 1.72 N ATOM 0 H ARG A 24 -13.140 -9.191 -1.458 1.00 1.69 H new ATOM 0 HA ARG A 24 -11.303 -11.452 -0.935 1.00 1.65 H new ATOM 0 HB2 ARG A 24 -10.879 -11.700 -3.179 1.00 1.67 H new ATOM 0 HB3 ARG A 24 -12.595 -11.348 -3.172 1.00 1.67 H new ATOM 0 HG2 ARG A 24 -11.959 -8.901 -3.682 1.00 1.62 H new ATOM 0 HG3 ARG A 24 -10.331 -9.481 -3.969 1.00 1.62 H new ATOM 0 HD2 ARG A 24 -12.813 -10.491 -5.434 1.00 1.67 H new ATOM 0 HD3 ARG A 24 -11.707 -9.286 -6.066 1.00 1.67 H new ATOM 0 HE ARG A 24 -10.148 -11.548 -5.389 1.00 1.67 H new ATOM 0 HH11 ARG A 24 -12.690 -10.817 -7.762 1.00 1.77 H new ATOM 0 HH12 ARG A 24 -12.064 -12.027 -8.887 1.00 1.77 H new ATOM 0 HH21 ARG A 24 -9.453 -13.025 -6.879 1.00 1.72 H new ATOM 0 HH22 ARG A 24 -10.315 -13.220 -8.409 1.00 1.72 H new ATOM 425 N ILE A 25 -10.545 -8.650 -0.239 1.00 1.55 N ATOM 426 CA ILE A 25 -9.581 -7.626 0.208 1.00 1.48 C ATOM 427 C ILE A 25 -9.547 -7.627 1.757 1.00 1.49 C ATOM 428 O ILE A 25 -10.150 -6.765 2.404 1.00 1.50 O ATOM 429 CB ILE A 25 -9.921 -6.232 -0.389 1.00 1.45 C ATOM 430 CG1 ILE A 25 -10.257 -6.271 -1.900 1.00 1.46 C ATOM 431 CG2 ILE A 25 -8.714 -5.303 -0.149 1.00 1.37 C ATOM 432 CD1 ILE A 25 -10.688 -4.918 -2.479 1.00 1.45 C ATOM 0 H ILE A 25 -11.448 -8.547 0.224 1.00 1.55 H new ATOM 0 HA ILE A 25 -8.583 -7.864 -0.159 1.00 1.48 H new ATOM 0 HB ILE A 25 -10.819 -5.866 0.110 1.00 1.45 H new ATOM 0 HG12 ILE A 25 -9.384 -6.627 -2.447 1.00 1.46 H new ATOM 0 HG13 ILE A 25 -11.054 -6.996 -2.066 1.00 1.46 H new ATOM 0 HG21 ILE A 25 -8.927 -4.316 -0.559 1.00 1.37 H new ATOM 0 HG22 ILE A 25 -8.527 -5.218 0.922 1.00 1.37 H new ATOM 0 HG23 ILE A 25 -7.833 -5.717 -0.639 1.00 1.37 H new ATOM 0 HD11 ILE A 25 -10.906 -5.030 -3.541 1.00 1.45 H new ATOM 0 HD12 ILE A 25 -11.581 -4.568 -1.960 1.00 1.45 H new ATOM 0 HD13 ILE A 25 -9.884 -4.193 -2.347 1.00 1.45 H new ATOM 444 N PRO A 26 -8.997 -8.683 2.382 1.00 1.53 N ATOM 445 CA PRO A 26 -9.087 -8.864 3.843 1.00 1.57 C ATOM 446 C PRO A 26 -8.272 -7.956 4.765 1.00 1.52 C ATOM 447 O PRO A 26 -8.782 -7.581 5.822 1.00 1.50 O ATOM 448 CB PRO A 26 -8.678 -10.327 4.035 1.00 1.62 C ATOM 449 CG PRO A 26 -7.795 -10.640 2.878 1.00 1.59 C ATOM 450 CD PRO A 26 -8.259 -9.777 1.734 1.00 1.55 C ATOM 0 HA PRO A 26 -10.095 -8.584 4.150 1.00 1.57 H new ATOM 0 HB2 PRO A 26 -8.154 -10.469 4.980 1.00 1.62 H new ATOM 0 HB3 PRO A 26 -9.550 -10.981 4.053 1.00 1.62 H new ATOM 0 HG2 PRO A 26 -6.752 -10.434 3.120 1.00 1.59 H new ATOM 0 HG3 PRO A 26 -7.859 -11.696 2.617 1.00 1.59 H new ATOM 0 HD2 PRO A 26 -7.417 -9.400 1.153 1.00 1.55 H new ATOM 0 HD3 PRO A 26 -8.896 -10.335 1.047 1.00 1.55 H new ATOM 458 N TYR A 27 -7.052 -7.569 4.418 1.00 1.52 N ATOM 459 CA TYR A 27 -6.267 -6.788 5.379 1.00 1.49 C ATOM 460 C TYR A 27 -5.550 -5.562 4.808 1.00 1.38 C ATOM 461 O TYR A 27 -5.678 -5.199 3.640 1.00 1.34 O ATOM 462 CB TYR A 27 -5.190 -7.695 5.994 1.00 1.61 C ATOM 463 CG TYR A 27 -5.692 -8.980 6.614 1.00 1.65 C ATOM 464 CD1 TYR A 27 -6.241 -8.997 7.887 1.00 1.91 C ATOM 465 CD2 TYR A 27 -5.597 -10.184 5.923 1.00 1.76 C ATOM 466 CE1 TYR A 27 -6.684 -10.177 8.459 1.00 2.21 C ATOM 467 CE2 TYR A 27 -6.039 -11.367 6.486 1.00 2.09 C ATOM 468 CZ TYR A 27 -6.581 -11.360 7.753 1.00 2.29 C ATOM 469 OH TYR A 27 -7.025 -12.536 8.317 1.00 2.75 O ATOM 0 H TYR A 27 -6.597 -7.767 3.527 1.00 1.52 H new ATOM 0 HA TYR A 27 -6.995 -6.418 6.101 1.00 1.49 H new ATOM 0 HB2 TYR A 27 -4.466 -7.946 5.219 1.00 1.61 H new ATOM 0 HB3 TYR A 27 -4.657 -7.129 6.757 1.00 1.61 H new ATOM 0 HD1 TYR A 27 -6.324 -8.074 8.442 1.00 1.91 H new ATOM 0 HD2 TYR A 27 -5.171 -10.195 4.931 1.00 1.76 H new ATOM 0 HE1 TYR A 27 -7.108 -10.173 9.452 1.00 2.21 H new ATOM 0 HE2 TYR A 27 -5.960 -12.293 5.935 1.00 2.09 H new ATOM 0 HH TYR A 27 -6.881 -13.275 7.689 1.00 2.75 H new ATOM 479 N LEU A 28 -4.795 -4.949 5.727 1.00 1.39 N ATOM 480 CA LEU A 28 -3.910 -3.809 5.494 1.00 1.35 C ATOM 481 C LEU A 28 -2.511 -4.330 5.802 1.00 1.35 C ATOM 482 O LEU A 28 -2.404 -5.386 6.434 1.00 1.38 O ATOM 483 CB LEU A 28 -4.275 -2.644 6.413 1.00 1.42 C ATOM 484 CG LEU A 28 -3.412 -1.385 6.302 1.00 1.37 C ATOM 485 CD1 LEU A 28 -3.679 -0.648 4.999 1.00 1.58 C ATOM 486 CD2 LEU A 28 -3.668 -0.478 7.494 1.00 1.77 C ATOM 0 H LEU A 28 -4.787 -5.252 6.701 1.00 1.39 H new ATOM 0 HA LEU A 28 -3.988 -3.429 4.475 1.00 1.35 H new ATOM 0 HB2 LEU A 28 -5.310 -2.366 6.215 1.00 1.42 H new ATOM 0 HB3 LEU A 28 -4.231 -2.997 7.443 1.00 1.42 H new ATOM 0 HG LEU A 28 -2.364 -1.684 6.302 1.00 1.37 H new ATOM 0 HD11 LEU A 28 -3.051 0.242 4.949 1.00 1.58 H new ATOM 0 HD12 LEU A 28 -3.449 -1.302 4.158 1.00 1.58 H new ATOM 0 HD13 LEU A 28 -4.728 -0.355 4.955 1.00 1.58 H new ATOM 0 HD21 LEU A 28 -3.051 0.417 7.410 1.00 1.77 H new ATOM 0 HD22 LEU A 28 -4.720 -0.193 7.515 1.00 1.77 H new ATOM 0 HD23 LEU A 28 -3.417 -1.006 8.414 1.00 1.77 H new ATOM 498 N GLY A 29 -1.454 -3.642 5.379 1.00 1.36 N ATOM 499 CA GLY A 29 -0.114 -4.174 5.601 1.00 1.41 C ATOM 500 C GLY A 29 0.125 -4.710 7.012 1.00 1.47 C ATOM 501 O GLY A 29 0.458 -5.876 7.174 1.00 1.53 O ATOM 0 H GLY A 29 -1.494 -2.744 4.896 1.00 1.36 H new ATOM 0 HA2 GLY A 29 0.069 -4.975 4.885 1.00 1.41 H new ATOM 0 HA3 GLY A 29 0.614 -3.390 5.395 1.00 1.41 H new ATOM 505 N PHE A 30 -0.090 -3.908 8.038 1.00 1.52 N ATOM 506 CA PHE A 30 0.120 -4.394 9.406 1.00 1.61 C ATOM 507 C PHE A 30 -1.184 -4.729 10.160 1.00 1.61 C ATOM 508 O PHE A 30 -1.204 -5.612 11.017 1.00 1.66 O ATOM 509 CB PHE A 30 0.962 -3.394 10.207 1.00 1.76 C ATOM 510 CG PHE A 30 0.184 -2.251 10.797 1.00 1.83 C ATOM 511 CD1 PHE A 30 -0.417 -1.314 9.971 1.00 2.34 C ATOM 512 CD2 PHE A 30 0.051 -2.112 12.170 1.00 2.24 C ATOM 513 CE1 PHE A 30 -1.137 -0.260 10.503 1.00 2.75 C ATOM 514 CE2 PHE A 30 -0.666 -1.057 12.706 1.00 2.87 C ATOM 515 CZ PHE A 30 -1.250 -0.143 11.904 1.00 2.93 C ATOM 0 H PHE A 30 -0.402 -2.940 7.964 1.00 1.52 H new ATOM 0 HA PHE A 30 0.660 -5.336 9.310 1.00 1.61 H new ATOM 0 HB2 PHE A 30 1.466 -3.927 11.013 1.00 1.76 H new ATOM 0 HB3 PHE A 30 1.739 -2.990 9.557 1.00 1.76 H new ATOM 0 HD1 PHE A 30 -0.322 -1.408 8.899 1.00 2.34 H new ATOM 0 HD2 PHE A 30 0.512 -2.834 12.828 1.00 2.24 H new ATOM 0 HE1 PHE A 30 -1.607 0.464 9.854 1.00 2.75 H new ATOM 0 HE2 PHE A 30 -0.759 -0.964 13.778 1.00 2.87 H new ATOM 0 HZ PHE A 30 -1.804 0.678 12.335 1.00 2.93 H new ATOM 525 N LYS A 31 -2.264 -4.026 9.826 1.00 1.61 N ATOM 526 CA LYS A 31 -3.548 -4.169 10.535 1.00 1.66 C ATOM 527 C LYS A 31 -4.709 -4.486 9.588 1.00 1.60 C ATOM 528 O LYS A 31 -4.487 -4.880 8.453 1.00 1.53 O ATOM 529 CB LYS A 31 -3.835 -2.869 11.284 1.00 1.73 C ATOM 530 CG LYS A 31 -4.531 -3.056 12.616 1.00 1.80 C ATOM 531 CD LYS A 31 -4.987 -1.722 13.162 1.00 2.09 C ATOM 532 CE LYS A 31 -5.670 -1.880 14.504 1.00 2.48 C ATOM 533 NZ LYS A 31 -6.190 -0.583 15.017 1.00 3.02 N ATOM 0 H LYS A 31 -2.282 -3.346 9.066 1.00 1.61 H new ATOM 0 HA LYS A 31 -3.463 -5.008 11.225 1.00 1.66 H new ATOM 0 HB2 LYS A 31 -2.894 -2.344 11.450 1.00 1.73 H new ATOM 0 HB3 LYS A 31 -4.451 -2.228 10.653 1.00 1.73 H new ATOM 0 HG2 LYS A 31 -5.387 -3.720 12.496 1.00 1.80 H new ATOM 0 HG3 LYS A 31 -3.854 -3.534 13.324 1.00 1.80 H new ATOM 0 HD2 LYS A 31 -4.130 -1.057 13.264 1.00 2.09 H new ATOM 0 HD3 LYS A 31 -5.672 -1.253 12.456 1.00 2.09 H new ATOM 0 HE2 LYS A 31 -6.492 -2.590 14.412 1.00 2.48 H new ATOM 0 HE3 LYS A 31 -4.966 -2.299 15.223 1.00 2.48 H new ATOM 0 HZ1 LYS A 31 -6.650 -0.733 15.937 1.00 3.02 H new ATOM 0 HZ2 LYS A 31 -5.402 0.087 15.129 1.00 3.02 H new ATOM 0 HZ3 LYS A 31 -6.881 -0.195 14.343 1.00 3.02 H new ATOM 547 N GLN A 32 -5.950 -4.374 10.099 1.00 1.67 N ATOM 548 CA GLN A 32 -7.158 -4.605 9.293 1.00 1.66 C ATOM 549 C GLN A 32 -7.213 -3.590 8.149 1.00 1.58 C ATOM 550 O GLN A 32 -6.497 -2.594 8.182 1.00 1.55 O ATOM 551 CB GLN A 32 -8.422 -4.513 10.162 1.00 1.78 C ATOM 552 CG GLN A 32 -8.434 -3.332 11.116 1.00 1.93 C ATOM 553 CD GLN A 32 -9.518 -3.449 12.173 1.00 2.33 C ATOM 554 OE1 GLN A 32 -9.288 -3.982 13.259 1.00 2.95 O ATOM 555 NE2 GLN A 32 -10.708 -2.950 11.860 1.00 2.75 N ATOM 0 H GLN A 32 -6.140 -4.124 11.070 1.00 1.67 H new ATOM 0 HA GLN A 32 -7.116 -5.611 8.875 1.00 1.66 H new ATOM 0 HB2 GLN A 32 -9.294 -4.449 9.511 1.00 1.78 H new ATOM 0 HB3 GLN A 32 -8.521 -5.433 10.738 1.00 1.78 H new ATOM 0 HG2 GLN A 32 -7.462 -3.253 11.604 1.00 1.93 H new ATOM 0 HG3 GLN A 32 -8.581 -2.413 10.549 1.00 1.93 H new ATOM 0 HE21 GLN A 32 -10.856 -2.517 10.949 1.00 2.75 H new ATOM 0 HE22 GLN A 32 -11.475 -3.000 12.531 1.00 2.75 H new ATOM 564 N ILE A 33 -8.110 -3.802 7.185 1.00 1.56 N ATOM 565 CA ILE A 33 -8.165 -2.959 5.982 1.00 1.51 C ATOM 566 C ILE A 33 -8.321 -1.444 6.245 1.00 1.50 C ATOM 567 O ILE A 33 -7.491 -0.675 5.758 1.00 1.47 O ATOM 568 CB ILE A 33 -9.283 -3.444 5.026 1.00 1.53 C ATOM 569 CG1 ILE A 33 -9.368 -2.537 3.796 1.00 1.90 C ATOM 570 CG2 ILE A 33 -10.630 -3.512 5.743 1.00 2.04 C ATOM 571 CD1 ILE A 33 -10.202 -3.114 2.674 1.00 2.36 C ATOM 0 H ILE A 33 -8.807 -4.546 7.210 1.00 1.56 H new ATOM 0 HA ILE A 33 -7.185 -3.076 5.519 1.00 1.51 H new ATOM 0 HB ILE A 33 -9.031 -4.451 4.695 1.00 1.53 H new ATOM 0 HG12 ILE A 33 -9.788 -1.576 4.092 1.00 1.90 H new ATOM 0 HG13 ILE A 33 -8.361 -2.345 3.427 1.00 1.90 H new ATOM 0 HG21 ILE A 33 -11.396 -3.855 5.047 1.00 2.04 H new ATOM 0 HG22 ILE A 33 -10.562 -4.207 6.580 1.00 2.04 H new ATOM 0 HG23 ILE A 33 -10.895 -2.522 6.114 1.00 2.04 H new ATOM 0 HD11 ILE A 33 -10.217 -2.417 1.836 1.00 2.36 H new ATOM 0 HD12 ILE A 33 -9.771 -4.061 2.350 1.00 2.36 H new ATOM 0 HD13 ILE A 33 -11.220 -3.280 3.026 1.00 2.36 H new ATOM 583 N ASN A 34 -9.320 -1.035 7.045 1.00 1.56 N ATOM 584 CA ASN A 34 -9.575 0.393 7.368 1.00 1.58 C ATOM 585 C ASN A 34 -9.297 1.340 6.175 1.00 1.57 C ATOM 586 O ASN A 34 -8.190 1.864 6.039 1.00 1.91 O ATOM 587 CB ASN A 34 -8.745 0.811 8.593 1.00 1.60 C ATOM 588 CG ASN A 34 -9.246 0.177 9.880 1.00 1.73 C ATOM 589 OD1 ASN A 34 -10.425 -0.157 10.006 1.00 2.14 O ATOM 590 ND2 ASN A 34 -8.350 0.020 10.847 1.00 2.10 N ATOM 0 H ASN A 34 -9.976 -1.678 7.489 1.00 1.56 H new ATOM 0 HA ASN A 34 -10.637 0.485 7.596 1.00 1.58 H new ATOM 0 HB2 ASN A 34 -7.704 0.530 8.435 1.00 1.60 H new ATOM 0 HB3 ASN A 34 -8.771 1.896 8.692 1.00 1.60 H new ATOM 0 HD21 ASN A 34 -8.628 -0.392 11.738 1.00 2.10 H new ATOM 0 HD22 ASN A 34 -7.384 0.311 10.699 1.00 2.10 H new ATOM 597 N LEU A 35 -10.314 1.578 5.335 1.00 1.38 N ATOM 598 CA LEU A 35 -10.154 2.419 4.131 1.00 1.34 C ATOM 599 C LEU A 35 -9.943 3.908 4.422 1.00 1.32 C ATOM 600 O LEU A 35 -8.939 4.476 3.998 1.00 1.28 O ATOM 601 CB LEU A 35 -11.366 2.253 3.202 1.00 1.40 C ATOM 602 CG LEU A 35 -11.195 2.787 1.763 1.00 1.43 C ATOM 603 CD1 LEU A 35 -11.421 4.289 1.699 1.00 1.47 C ATOM 604 CD2 LEU A 35 -9.823 2.443 1.204 1.00 1.52 C ATOM 0 H LEU A 35 -11.254 1.204 5.463 1.00 1.38 H new ATOM 0 HA LEU A 35 -9.242 2.065 3.650 1.00 1.34 H new ATOM 0 HB2 LEU A 35 -11.614 1.193 3.148 1.00 1.40 H new ATOM 0 HB3 LEU A 35 -12.219 2.757 3.656 1.00 1.40 H new ATOM 0 HG LEU A 35 -11.951 2.298 1.149 1.00 1.43 H new ATOM 0 HD11 LEU A 35 -11.293 4.633 0.673 1.00 1.47 H new ATOM 0 HD12 LEU A 35 -12.432 4.520 2.036 1.00 1.47 H new ATOM 0 HD13 LEU A 35 -10.700 4.793 2.343 1.00 1.47 H new ATOM 0 HD21 LEU A 35 -9.735 2.833 0.190 1.00 1.52 H new ATOM 0 HD22 LEU A 35 -9.052 2.889 1.832 1.00 1.52 H new ATOM 0 HD23 LEU A 35 -9.697 1.360 1.188 1.00 1.52 H new ATOM 616 N TRP A 36 -10.900 4.541 5.110 1.00 1.37 N ATOM 617 CA TRP A 36 -10.830 5.981 5.412 1.00 1.37 C ATOM 618 C TRP A 36 -9.478 6.390 6.021 1.00 1.32 C ATOM 619 O TRP A 36 -9.041 7.528 5.858 1.00 1.31 O ATOM 620 CB TRP A 36 -11.982 6.396 6.339 1.00 1.45 C ATOM 621 CG TRP A 36 -12.203 5.469 7.497 1.00 1.50 C ATOM 622 CD1 TRP A 36 -12.830 4.257 7.467 1.00 1.55 C ATOM 623 CD2 TRP A 36 -11.810 5.684 8.856 1.00 1.53 C ATOM 624 NE1 TRP A 36 -12.831 3.694 8.720 1.00 1.61 N ATOM 625 CE2 TRP A 36 -12.215 4.554 9.591 1.00 1.60 C ATOM 626 CE3 TRP A 36 -11.150 6.721 9.520 1.00 1.54 C ATOM 627 CZ2 TRP A 36 -11.978 4.434 10.959 1.00 1.66 C ATOM 628 CZ3 TRP A 36 -10.918 6.600 10.876 1.00 1.61 C ATOM 629 CH2 TRP A 36 -11.330 5.465 11.582 1.00 1.66 C ATOM 0 H TRP A 36 -11.735 4.080 5.470 1.00 1.37 H new ATOM 0 HA TRP A 36 -10.927 6.508 4.463 1.00 1.37 H new ATOM 0 HB2 TRP A 36 -11.783 7.397 6.722 1.00 1.45 H new ATOM 0 HB3 TRP A 36 -12.900 6.455 5.755 1.00 1.45 H new ATOM 0 HD1 TRP A 36 -13.263 3.806 6.586 1.00 1.55 H new ATOM 0 HE1 TRP A 36 -13.225 2.785 8.962 1.00 1.61 H new ATOM 0 HE3 TRP A 36 -10.827 7.601 8.983 1.00 1.54 H new ATOM 0 HZ2 TRP A 36 -12.294 3.559 11.507 1.00 1.66 H new ATOM 0 HZ3 TRP A 36 -10.410 7.396 11.400 1.00 1.61 H new ATOM 0 HH2 TRP A 36 -11.132 5.401 12.642 1.00 1.66 H new ATOM 640 N THR A 37 -8.831 5.457 6.717 1.00 1.32 N ATOM 641 CA THR A 37 -7.527 5.705 7.361 1.00 1.29 C ATOM 642 C THR A 37 -6.373 5.747 6.353 1.00 1.23 C ATOM 643 O THR A 37 -5.613 6.713 6.364 1.00 1.21 O ATOM 644 CB THR A 37 -7.224 4.660 8.447 1.00 1.34 C ATOM 645 OG1 THR A 37 -8.221 4.699 9.444 1.00 1.41 O ATOM 646 CG2 THR A 37 -5.899 4.907 9.173 1.00 1.35 C ATOM 0 H THR A 37 -9.187 4.511 6.854 1.00 1.32 H new ATOM 0 HA THR A 37 -7.606 6.688 7.825 1.00 1.29 H new ATOM 0 HB THR A 37 -7.182 3.704 7.925 1.00 1.34 H new ATOM 0 HG1 THR A 37 -8.899 5.364 9.203 1.00 1.41 H new ATOM 0 HG21 THR A 37 -5.747 4.134 9.926 1.00 1.35 H new ATOM 0 HG22 THR A 37 -5.080 4.880 8.454 1.00 1.35 H new ATOM 0 HG23 THR A 37 -5.925 5.884 9.656 1.00 1.35 H new ATOM 654 N MET A 38 -6.237 4.766 5.447 1.00 1.20 N ATOM 655 CA MET A 38 -5.209 4.854 4.387 1.00 1.15 C ATOM 656 C MET A 38 -5.449 6.045 3.442 1.00 1.13 C ATOM 657 O MET A 38 -4.494 6.638 2.943 1.00 1.11 O ATOM 658 CB MET A 38 -5.034 3.539 3.605 1.00 1.14 C ATOM 659 CG MET A 38 -6.288 3.040 2.886 1.00 1.17 C ATOM 660 SD MET A 38 -5.957 1.973 1.456 1.00 1.17 S ATOM 661 CE MET A 38 -6.887 0.480 1.892 1.00 1.25 C ATOM 0 H MET A 38 -6.808 3.921 5.422 1.00 1.20 H new ATOM 0 HA MET A 38 -4.267 5.032 4.905 1.00 1.15 H new ATOM 0 HB2 MET A 38 -4.242 3.675 2.869 1.00 1.14 H new ATOM 0 HB3 MET A 38 -4.698 2.766 4.296 1.00 1.14 H new ATOM 0 HG2 MET A 38 -6.906 2.492 3.597 1.00 1.17 H new ATOM 0 HG3 MET A 38 -6.869 3.901 2.555 1.00 1.17 H new ATOM 0 HE1 MET A 38 -7.076 -0.107 0.993 1.00 1.25 H new ATOM 0 HE2 MET A 38 -6.309 -0.115 2.599 1.00 1.25 H new ATOM 0 HE3 MET A 38 -7.836 0.763 2.347 1.00 1.25 H new ATOM 671 N PHE A 39 -6.716 6.433 3.254 1.00 1.17 N ATOM 672 CA PHE A 39 -7.068 7.648 2.524 1.00 1.19 C ATOM 673 C PHE A 39 -6.564 8.911 3.223 1.00 1.20 C ATOM 674 O PHE A 39 -5.743 9.621 2.646 1.00 1.20 O ATOM 675 CB PHE A 39 -8.574 7.719 2.275 1.00 1.25 C ATOM 676 CG PHE A 39 -8.981 8.991 1.552 1.00 1.30 C ATOM 677 CD1 PHE A 39 -8.550 9.214 0.229 1.00 1.30 C ATOM 678 CD2 PHE A 39 -9.745 9.974 2.211 1.00 1.36 C ATOM 679 CE1 PHE A 39 -8.893 10.400 -0.439 1.00 1.37 C ATOM 680 CE2 PHE A 39 -10.074 11.169 1.547 1.00 1.43 C ATOM 681 CZ PHE A 39 -9.647 11.384 0.225 1.00 1.44 C ATOM 0 H PHE A 39 -7.521 5.913 3.604 1.00 1.17 H new ATOM 0 HA PHE A 39 -6.564 7.599 1.559 1.00 1.19 H new ATOM 0 HB2 PHE A 39 -8.884 6.855 1.687 1.00 1.25 H new ATOM 0 HB3 PHE A 39 -9.100 7.661 3.228 1.00 1.25 H new ATOM 0 HD1 PHE A 39 -7.952 8.468 -0.274 1.00 1.30 H new ATOM 0 HD2 PHE A 39 -10.078 9.810 3.225 1.00 1.36 H new ATOM 0 HE1 PHE A 39 -8.579 10.556 -1.460 1.00 1.37 H new ATOM 0 HE2 PHE A 39 -10.656 11.924 2.054 1.00 1.43 H new ATOM 0 HZ PHE A 39 -9.898 12.305 -0.281 1.00 1.44 H new ATOM 691 N GLN A 40 -6.983 9.196 4.465 1.00 1.24 N ATOM 692 CA GLN A 40 -6.501 10.413 5.145 1.00 1.27 C ATOM 693 C GLN A 40 -4.976 10.405 5.376 1.00 1.25 C ATOM 694 O GLN A 40 -4.350 11.465 5.351 1.00 1.28 O ATOM 695 CB GLN A 40 -7.301 10.669 6.434 1.00 1.33 C ATOM 696 CG GLN A 40 -6.948 9.702 7.572 1.00 1.33 C ATOM 697 CD GLN A 40 -8.005 9.685 8.670 1.00 1.39 C ATOM 698 OE1 GLN A 40 -7.869 10.292 9.723 1.00 1.44 O ATOM 699 NE2 GLN A 40 -9.089 8.972 8.461 1.00 1.40 N ATOM 0 H GLN A 40 -7.632 8.624 5.006 1.00 1.24 H new ATOM 0 HA GLN A 40 -6.681 11.255 4.477 1.00 1.27 H new ATOM 0 HB2 GLN A 40 -7.122 11.691 6.767 1.00 1.33 H new ATOM 0 HB3 GLN A 40 -8.366 10.587 6.215 1.00 1.33 H new ATOM 0 HG2 GLN A 40 -6.832 8.696 7.168 1.00 1.33 H new ATOM 0 HG3 GLN A 40 -5.987 9.986 8.001 1.00 1.33 H new ATOM 0 HE21 GLN A 40 -9.205 8.465 7.584 1.00 1.40 H new ATOM 0 HE22 GLN A 40 -9.815 8.926 9.176 1.00 1.40 H new ATOM 708 N ALA A 41 -4.357 9.224 5.511 1.00 1.21 N ATOM 709 CA ALA A 41 -2.904 9.075 5.509 1.00 1.20 C ATOM 710 C ALA A 41 -2.290 9.499 4.166 1.00 1.18 C ATOM 711 O ALA A 41 -1.428 10.375 4.141 1.00 1.21 O ATOM 712 CB ALA A 41 -2.544 7.629 5.863 1.00 1.18 C ATOM 0 H ALA A 41 -4.858 8.343 5.625 1.00 1.21 H new ATOM 0 HA ALA A 41 -2.481 9.740 6.262 1.00 1.20 H new ATOM 0 HB1 ALA A 41 -1.460 7.513 5.863 1.00 1.18 H new ATOM 0 HB2 ALA A 41 -2.934 7.389 6.852 1.00 1.18 H new ATOM 0 HB3 ALA A 41 -2.981 6.955 5.127 1.00 1.18 H new ATOM 718 N ALA A 42 -2.770 8.966 3.038 1.00 1.14 N ATOM 719 CA ALA A 42 -2.328 9.386 1.707 1.00 1.14 C ATOM 720 C ALA A 42 -2.526 10.890 1.466 1.00 1.20 C ATOM 721 O ALA A 42 -1.652 11.533 0.902 1.00 1.23 O ATOM 722 CB ALA A 42 -3.047 8.548 0.643 1.00 1.11 C ATOM 0 H ALA A 42 -3.477 8.231 3.023 1.00 1.14 H new ATOM 0 HA ALA A 42 -1.254 9.212 1.637 1.00 1.14 H new ATOM 0 HB1 ALA A 42 -2.719 8.860 -0.349 1.00 1.11 H new ATOM 0 HB2 ALA A 42 -2.810 7.494 0.789 1.00 1.11 H new ATOM 0 HB3 ALA A 42 -4.124 8.694 0.731 1.00 1.11 H new ATOM 728 N GLN A 43 -3.629 11.469 1.955 1.00 1.23 N ATOM 729 CA GLN A 43 -3.901 12.904 1.801 1.00 1.31 C ATOM 730 C GLN A 43 -2.945 13.779 2.640 1.00 1.35 C ATOM 731 O GLN A 43 -2.674 14.921 2.265 1.00 1.42 O ATOM 732 CB GLN A 43 -5.373 13.217 2.121 1.00 1.35 C ATOM 733 CG GLN A 43 -6.374 12.590 1.128 1.00 1.35 C ATOM 734 CD GLN A 43 -6.131 12.977 -0.332 1.00 1.38 C ATOM 735 OE1 GLN A 43 -5.960 14.137 -0.684 1.00 1.45 O ATOM 736 NE2 GLN A 43 -6.089 12.025 -1.241 1.00 1.35 N ATOM 0 H GLN A 43 -4.353 10.962 2.464 1.00 1.23 H new ATOM 0 HA GLN A 43 -3.715 13.156 0.757 1.00 1.31 H new ATOM 0 HB2 GLN A 43 -5.600 12.860 3.125 1.00 1.35 H new ATOM 0 HB3 GLN A 43 -5.512 14.298 2.128 1.00 1.35 H new ATOM 0 HG2 GLN A 43 -6.327 11.505 1.218 1.00 1.35 H new ATOM 0 HG3 GLN A 43 -7.384 12.889 1.409 1.00 1.35 H new ATOM 0 HE21 GLN A 43 -6.229 11.052 -0.968 1.00 1.35 H new ATOM 0 HE22 GLN A 43 -5.916 12.260 -2.218 1.00 1.35 H new ATOM 745 N LYS A 44 -2.379 13.220 3.720 1.00 1.33 N ATOM 746 CA LYS A 44 -1.314 13.888 4.486 1.00 1.39 C ATOM 747 C LYS A 44 0.037 13.741 3.784 1.00 1.39 C ATOM 748 O LYS A 44 0.740 14.732 3.586 1.00 1.45 O ATOM 749 CB LYS A 44 -1.296 13.307 5.911 1.00 1.39 C ATOM 750 CG LYS A 44 -0.393 14.110 6.858 1.00 1.47 C ATOM 751 CD LYS A 44 -0.275 13.469 8.248 1.00 1.49 C ATOM 752 CE LYS A 44 -1.640 13.251 8.918 1.00 1.49 C ATOM 753 NZ LYS A 44 -1.478 12.788 10.318 1.00 1.53 N ATOM 0 H LYS A 44 -2.642 12.304 4.084 1.00 1.33 H new ATOM 0 HA LYS A 44 -1.512 14.958 4.548 1.00 1.39 H new ATOM 0 HB2 LYS A 44 -2.311 13.292 6.307 1.00 1.39 H new ATOM 0 HB3 LYS A 44 -0.952 12.273 5.875 1.00 1.39 H new ATOM 0 HG2 LYS A 44 0.600 14.199 6.418 1.00 1.47 H new ATOM 0 HG3 LYS A 44 -0.788 15.121 6.961 1.00 1.47 H new ATOM 0 HD2 LYS A 44 0.239 12.512 8.160 1.00 1.49 H new ATOM 0 HD3 LYS A 44 0.341 14.104 8.885 1.00 1.49 H new ATOM 0 HE2 LYS A 44 -2.209 14.180 8.902 1.00 1.49 H new ATOM 0 HE3 LYS A 44 -2.213 12.516 8.352 1.00 1.49 H new ATOM 0 HZ1 LYS A 44 -2.302 12.215 10.592 1.00 1.53 H new ATOM 0 HZ2 LYS A 44 -0.615 12.213 10.396 1.00 1.53 H new ATOM 0 HZ3 LYS A 44 -1.404 13.611 10.949 1.00 1.53 H new ATOM 767 N LEU A 45 0.342 12.522 3.338 1.00 1.32 N ATOM 768 CA LEU A 45 1.532 12.248 2.521 1.00 1.32 C ATOM 769 C LEU A 45 1.438 12.766 1.047 1.00 1.34 C ATOM 770 O LEU A 45 2.289 12.414 0.226 1.00 1.34 O ATOM 771 CB LEU A 45 1.913 10.741 2.658 1.00 1.27 C ATOM 772 CG LEU A 45 2.523 10.223 3.996 1.00 1.30 C ATOM 773 CD1 LEU A 45 3.619 11.148 4.530 1.00 1.39 C ATOM 774 CD2 LEU A 45 1.512 10.006 5.119 1.00 1.29 C ATOM 0 H LEU A 45 -0.225 11.696 3.530 1.00 1.32 H new ATOM 0 HA LEU A 45 2.358 12.840 2.914 1.00 1.32 H new ATOM 0 HB2 LEU A 45 1.014 10.157 2.461 1.00 1.27 H new ATOM 0 HB3 LEU A 45 2.623 10.510 1.864 1.00 1.27 H new ATOM 0 HG LEU A 45 2.935 9.253 3.719 1.00 1.30 H new ATOM 0 HD11 LEU A 45 4.013 10.745 5.463 1.00 1.39 H new ATOM 0 HD12 LEU A 45 4.423 11.220 3.798 1.00 1.39 H new ATOM 0 HD13 LEU A 45 3.203 12.139 4.710 1.00 1.39 H new ATOM 0 HD21 LEU A 45 2.028 9.646 6.009 1.00 1.29 H new ATOM 0 HD22 LEU A 45 1.012 10.948 5.346 1.00 1.29 H new ATOM 0 HD23 LEU A 45 0.772 9.269 4.805 1.00 1.29 H new ATOM 786 N GLY A 46 0.452 13.622 0.711 1.00 1.36 N ATOM 787 CA GLY A 46 0.464 14.364 -0.579 1.00 1.42 C ATOM 788 C GLY A 46 -0.473 13.865 -1.698 1.00 1.40 C ATOM 789 O GLY A 46 -0.224 14.095 -2.884 1.00 1.44 O ATOM 0 H GLY A 46 -0.356 13.819 1.302 1.00 1.36 H new ATOM 0 HA2 GLY A 46 0.214 15.404 -0.371 1.00 1.42 H new ATOM 0 HA3 GLY A 46 1.484 14.352 -0.964 1.00 1.42 H new ATOM 793 N GLY A 47 -1.544 13.185 -1.293 1.00 1.34 N ATOM 794 CA GLY A 47 -2.429 12.453 -2.195 1.00 1.32 C ATOM 795 C GLY A 47 -1.732 11.336 -2.977 1.00 1.28 C ATOM 796 O GLY A 47 -0.506 11.199 -2.973 1.00 1.27 O ATOM 0 H GLY A 47 -1.825 13.127 -0.314 1.00 1.34 H new ATOM 0 HA2 GLY A 47 -3.246 12.023 -1.616 1.00 1.32 H new ATOM 0 HA3 GLY A 47 -2.873 13.155 -2.901 1.00 1.32 H new ATOM 800 N TYR A 48 -2.533 10.560 -3.711 1.00 1.27 N ATOM 801 CA TYR A 48 -2.007 9.569 -4.663 1.00 1.26 C ATOM 802 C TYR A 48 -0.999 10.155 -5.677 1.00 1.32 C ATOM 803 O TYR A 48 -0.174 9.424 -6.226 1.00 1.31 O ATOM 804 CB TYR A 48 -3.184 8.900 -5.380 1.00 1.28 C ATOM 805 CG TYR A 48 -2.827 7.615 -6.107 1.00 1.26 C ATOM 806 CD1 TYR A 48 -2.721 6.410 -5.386 1.00 1.20 C ATOM 807 CD2 TYR A 48 -2.613 7.621 -7.499 1.00 1.33 C ATOM 808 CE1 TYR A 48 -2.437 5.205 -6.055 1.00 1.21 C ATOM 809 CE2 TYR A 48 -2.310 6.421 -8.170 1.00 1.33 C ATOM 810 CZ TYR A 48 -2.233 5.209 -7.452 1.00 1.27 C ATOM 811 OH TYR A 48 -1.966 4.052 -8.113 1.00 1.29 O ATOM 0 H TYR A 48 -3.551 10.596 -3.667 1.00 1.27 H new ATOM 0 HA TYR A 48 -1.441 8.833 -4.092 1.00 1.26 H new ATOM 0 HB2 TYR A 48 -3.964 8.685 -4.650 1.00 1.28 H new ATOM 0 HB3 TYR A 48 -3.604 9.604 -6.098 1.00 1.28 H new ATOM 0 HD1 TYR A 48 -2.858 6.411 -4.315 1.00 1.20 H new ATOM 0 HD2 TYR A 48 -2.681 8.546 -8.052 1.00 1.33 H new ATOM 0 HE1 TYR A 48 -2.375 4.280 -5.501 1.00 1.21 H new ATOM 0 HE2 TYR A 48 -2.136 6.428 -9.236 1.00 1.33 H new ATOM 0 HH TYR A 48 -1.855 4.239 -9.068 1.00 1.29 H new ATOM 821 N GLU A 49 -1.019 11.472 -5.913 1.00 1.39 N ATOM 822 CA GLU A 49 -0.145 12.099 -6.916 1.00 1.47 C ATOM 823 C GLU A 49 1.297 12.263 -6.424 1.00 1.46 C ATOM 824 O GLU A 49 2.226 11.847 -7.123 1.00 1.48 O ATOM 825 CB GLU A 49 -0.733 13.450 -7.347 1.00 1.57 C ATOM 826 CG GLU A 49 -1.932 13.235 -8.278 1.00 1.61 C ATOM 827 CD GLU A 49 -2.681 14.548 -8.542 1.00 1.71 C ATOM 828 OE1 GLU A 49 -2.165 15.424 -9.279 1.00 1.80 O ATOM 829 OE2 GLU A 49 -3.813 14.691 -8.023 1.00 1.72 O ATOM 0 H GLU A 49 -1.630 12.126 -5.424 1.00 1.39 H new ATOM 0 HA GLU A 49 -0.102 11.431 -7.776 1.00 1.47 H new ATOM 0 HB2 GLU A 49 -1.043 14.016 -6.469 1.00 1.57 H new ATOM 0 HB3 GLU A 49 0.029 14.041 -7.855 1.00 1.57 H new ATOM 0 HG2 GLU A 49 -1.589 12.814 -9.223 1.00 1.61 H new ATOM 0 HG3 GLU A 49 -2.613 12.509 -7.834 1.00 1.61 H new ATOM 836 N THR A 50 1.514 12.778 -5.206 1.00 1.44 N ATOM 837 CA THR A 50 2.847 12.762 -4.580 1.00 1.45 C ATOM 838 C THR A 50 3.295 11.325 -4.322 1.00 1.37 C ATOM 839 O THR A 50 4.461 10.993 -4.538 1.00 1.40 O ATOM 840 CB THR A 50 2.897 13.562 -3.269 1.00 1.46 C ATOM 841 OG1 THR A 50 2.475 14.891 -3.498 1.00 1.54 O ATOM 842 CG2 THR A 50 4.305 13.658 -2.679 1.00 1.50 C ATOM 0 H THR A 50 0.788 13.210 -4.635 1.00 1.44 H new ATOM 0 HA THR A 50 3.528 13.243 -5.282 1.00 1.45 H new ATOM 0 HB THR A 50 2.247 13.030 -2.575 1.00 1.46 H new ATOM 0 HG1 THR A 50 1.507 14.956 -3.358 1.00 1.54 H new ATOM 0 HG21 THR A 50 4.274 14.235 -1.755 1.00 1.50 H new ATOM 0 HG22 THR A 50 4.681 12.657 -2.469 1.00 1.50 H new ATOM 0 HG23 THR A 50 4.965 14.151 -3.392 1.00 1.50 H new ATOM 850 N ILE A 51 2.362 10.444 -3.946 1.00 1.30 N ATOM 851 CA ILE A 51 2.641 9.009 -3.804 1.00 1.24 C ATOM 852 C ILE A 51 3.209 8.396 -5.094 1.00 1.27 C ATOM 853 O ILE A 51 4.204 7.677 -5.037 1.00 1.27 O ATOM 854 CB ILE A 51 1.365 8.299 -3.276 1.00 1.18 C ATOM 855 CG1 ILE A 51 1.455 8.020 -1.764 1.00 1.14 C ATOM 856 CG2 ILE A 51 1.013 6.997 -4.004 1.00 1.15 C ATOM 857 CD1 ILE A 51 1.344 9.293 -0.912 1.00 1.17 C ATOM 0 H ILE A 51 1.398 10.702 -3.733 1.00 1.30 H new ATOM 0 HA ILE A 51 3.432 8.860 -3.070 1.00 1.24 H new ATOM 0 HB ILE A 51 0.562 9.007 -3.482 1.00 1.18 H new ATOM 0 HG12 ILE A 51 0.662 7.329 -1.480 1.00 1.14 H new ATOM 0 HG13 ILE A 51 2.402 7.525 -1.547 1.00 1.14 H new ATOM 0 HG21 ILE A 51 0.109 6.570 -3.570 1.00 1.15 H new ATOM 0 HG22 ILE A 51 0.845 7.205 -5.061 1.00 1.15 H new ATOM 0 HG23 ILE A 51 1.835 6.288 -3.900 1.00 1.15 H new ATOM 0 HD11 ILE A 51 1.414 9.031 0.144 1.00 1.17 H new ATOM 0 HD12 ILE A 51 2.153 9.976 -1.171 1.00 1.17 H new ATOM 0 HD13 ILE A 51 0.386 9.776 -1.103 1.00 1.17 H new ATOM 869 N THR A 52 2.626 8.704 -6.251 1.00 1.30 N ATOM 870 CA THR A 52 3.108 8.173 -7.540 1.00 1.35 C ATOM 871 C THR A 52 4.411 8.836 -7.982 1.00 1.42 C ATOM 872 O THR A 52 5.298 8.153 -8.500 1.00 1.45 O ATOM 873 CB THR A 52 2.021 8.326 -8.616 1.00 1.39 C ATOM 874 OG1 THR A 52 0.898 7.573 -8.213 1.00 1.34 O ATOM 875 CG2 THR A 52 2.429 7.772 -9.982 1.00 1.45 C ATOM 0 H THR A 52 1.817 9.320 -6.330 1.00 1.30 H new ATOM 0 HA THR A 52 3.322 7.113 -7.403 1.00 1.35 H new ATOM 0 HB THR A 52 1.830 9.395 -8.715 1.00 1.39 H new ATOM 0 HG1 THR A 52 0.415 8.057 -7.511 1.00 1.34 H new ATOM 0 HG21 THR A 52 1.613 7.914 -10.691 1.00 1.45 H new ATOM 0 HG22 THR A 52 3.315 8.298 -10.338 1.00 1.45 H new ATOM 0 HG23 THR A 52 2.650 6.708 -9.892 1.00 1.45 H new ATOM 883 N ALA A 53 4.572 10.133 -7.711 1.00 1.47 N ATOM 884 CA ALA A 53 5.816 10.846 -7.997 1.00 1.55 C ATOM 885 C ALA A 53 7.003 10.424 -7.099 1.00 1.54 C ATOM 886 O ALA A 53 8.153 10.626 -7.507 1.00 1.61 O ATOM 887 CB ALA A 53 5.539 12.349 -7.862 1.00 1.61 C ATOM 0 H ALA A 53 3.848 10.715 -7.290 1.00 1.47 H new ATOM 0 HA ALA A 53 6.126 10.589 -9.010 1.00 1.55 H new ATOM 0 HB1 ALA A 53 6.452 12.907 -8.070 1.00 1.61 H new ATOM 0 HB2 ALA A 53 4.765 12.641 -8.571 1.00 1.61 H new ATOM 0 HB3 ALA A 53 5.203 12.568 -6.848 1.00 1.61 H new ATOM 893 N ARG A 54 6.749 9.851 -5.907 1.00 1.47 N ATOM 894 CA ARG A 54 7.821 9.638 -4.899 1.00 1.49 C ATOM 895 C ARG A 54 7.893 8.241 -4.262 1.00 1.44 C ATOM 896 O ARG A 54 8.841 7.979 -3.523 1.00 1.48 O ATOM 897 CB ARG A 54 7.669 10.689 -3.778 1.00 1.51 C ATOM 898 CG ARG A 54 7.774 12.165 -4.206 1.00 1.59 C ATOM 899 CD ARG A 54 9.152 12.563 -4.761 1.00 1.68 C ATOM 900 NE ARG A 54 10.242 12.353 -3.783 1.00 1.72 N ATOM 901 CZ ARG A 54 10.581 13.139 -2.775 1.00 1.77 C ATOM 902 NH1 ARG A 54 9.960 14.256 -2.518 1.00 1.79 N ATOM 903 NH2 ARG A 54 11.571 12.812 -1.995 1.00 1.82 N ATOM 0 H ARG A 54 5.826 9.529 -5.615 1.00 1.47 H new ATOM 0 HA ARG A 54 8.752 9.740 -5.456 1.00 1.49 H new ATOM 0 HB2 ARG A 54 6.701 10.540 -3.299 1.00 1.51 H new ATOM 0 HB3 ARG A 54 8.432 10.497 -3.023 1.00 1.51 H new ATOM 0 HG2 ARG A 54 7.017 12.367 -4.964 1.00 1.59 H new ATOM 0 HG3 ARG A 54 7.543 12.798 -3.349 1.00 1.59 H new ATOM 0 HD2 ARG A 54 9.359 11.982 -5.660 1.00 1.68 H new ATOM 0 HD3 ARG A 54 9.131 13.612 -5.057 1.00 1.68 H new ATOM 0 HE ARG A 54 10.796 11.504 -3.900 1.00 1.72 H new ATOM 0 HH11 ARG A 54 9.180 14.553 -3.105 1.00 1.79 H new ATOM 0 HH12 ARG A 54 10.254 14.833 -1.730 1.00 1.79 H new ATOM 0 HH21 ARG A 54 12.087 11.948 -2.161 1.00 1.82 H new ATOM 0 HH22 ARG A 54 11.831 13.420 -1.218 1.00 1.82 H new ATOM 917 N ARG A 55 6.928 7.346 -4.526 1.00 1.37 N ATOM 918 CA ARG A 55 6.734 6.057 -3.814 1.00 1.32 C ATOM 919 C ARG A 55 6.685 6.296 -2.301 1.00 1.31 C ATOM 920 O ARG A 55 7.440 5.742 -1.503 1.00 1.35 O ATOM 921 CB ARG A 55 7.744 4.986 -4.293 1.00 1.37 C ATOM 922 CG ARG A 55 7.925 4.921 -5.826 1.00 1.40 C ATOM 923 CD ARG A 55 6.629 4.680 -6.622 1.00 1.35 C ATOM 924 NE ARG A 55 6.548 5.550 -7.816 1.00 1.40 N ATOM 925 CZ ARG A 55 7.101 5.364 -8.999 1.00 1.46 C ATOM 926 NH1 ARG A 55 7.823 4.318 -9.286 1.00 1.49 N ATOM 927 NH2 ARG A 55 6.926 6.262 -9.923 1.00 1.51 N ATOM 0 H ARG A 55 6.237 7.496 -5.261 1.00 1.37 H new ATOM 0 HA ARG A 55 5.765 5.629 -4.070 1.00 1.32 H new ATOM 0 HB2 ARG A 55 8.712 5.185 -3.833 1.00 1.37 H new ATOM 0 HB3 ARG A 55 7.416 4.010 -3.936 1.00 1.37 H new ATOM 0 HG2 ARG A 55 8.374 5.855 -6.164 1.00 1.40 H new ATOM 0 HG3 ARG A 55 8.632 4.125 -6.060 1.00 1.40 H new ATOM 0 HD2 ARG A 55 6.580 3.635 -6.929 1.00 1.35 H new ATOM 0 HD3 ARG A 55 5.768 4.864 -5.979 1.00 1.35 H new ATOM 0 HE ARG A 55 5.995 6.401 -7.711 1.00 1.40 H new ATOM 0 HH11 ARG A 55 7.981 3.598 -8.581 1.00 1.49 H new ATOM 0 HH12 ARG A 55 8.230 4.219 -10.216 1.00 1.49 H new ATOM 0 HH21 ARG A 55 6.369 7.093 -9.727 1.00 1.51 H new ATOM 0 HH22 ARG A 55 7.346 6.135 -10.844 1.00 1.51 H new ATOM 941 N GLN A 56 5.748 7.182 -1.949 1.00 1.28 N ATOM 942 CA GLN A 56 5.622 7.688 -0.577 1.00 1.29 C ATOM 943 C GLN A 56 4.816 6.741 0.339 1.00 1.24 C ATOM 944 O GLN A 56 4.659 7.041 1.522 1.00 1.25 O ATOM 945 CB GLN A 56 5.036 9.116 -0.590 1.00 1.30 C ATOM 946 CG GLN A 56 5.649 10.055 0.467 1.00 1.37 C ATOM 947 CD GLN A 56 6.923 10.746 -0.025 1.00 1.46 C ATOM 948 OE1 GLN A 56 8.102 10.346 0.398 1.00 1.49 O flip ATOM 949 NE2 GLN A 56 6.879 11.685 -0.807 1.00 1.51 N flip ATOM 0 H GLN A 56 5.062 7.566 -2.599 1.00 1.28 H new ATOM 0 HA GLN A 56 6.623 7.728 -0.147 1.00 1.29 H new ATOM 0 HB2 GLN A 56 5.187 9.551 -1.578 1.00 1.30 H new ATOM 0 HB3 GLN A 56 3.960 9.057 -0.428 1.00 1.30 H new ATOM 0 HG2 GLN A 56 4.915 10.811 0.745 1.00 1.37 H new ATOM 0 HG3 GLN A 56 5.875 9.484 1.367 1.00 1.37 H new ATOM 0 HE21 GLN A 56 5.979 12.019 -1.153 1.00 1.51 H new ATOM 0 HE22 GLN A 56 7.742 12.135 -1.113 1.00 1.51 H new ATOM 958 N TRP A 57 4.338 5.585 -0.152 1.00 1.19 N ATOM 959 CA TRP A 57 3.663 4.562 0.667 1.00 1.17 C ATOM 960 C TRP A 57 4.487 4.110 1.875 1.00 1.24 C ATOM 961 O TRP A 57 3.912 3.849 2.928 1.00 1.24 O ATOM 962 CB TRP A 57 3.249 3.344 -0.166 1.00 1.15 C ATOM 963 CG TRP A 57 2.121 3.593 -1.105 1.00 1.11 C ATOM 964 CD1 TRP A 57 2.229 3.858 -2.424 1.00 1.11 C ATOM 965 CD2 TRP A 57 0.696 3.604 -0.797 1.00 1.07 C ATOM 966 NE1 TRP A 57 0.968 4.060 -2.945 1.00 1.09 N ATOM 967 CE2 TRP A 57 -0.015 3.933 -1.988 1.00 1.07 C ATOM 968 CE3 TRP A 57 -0.066 3.388 0.369 1.00 1.07 C ATOM 969 CZ2 TRP A 57 -1.411 4.072 -2.012 1.00 1.06 C ATOM 970 CZ3 TRP A 57 -1.464 3.509 0.357 1.00 1.06 C ATOM 971 CH2 TRP A 57 -2.132 3.855 -0.829 1.00 1.06 C ATOM 0 H TRP A 57 4.410 5.331 -1.137 1.00 1.19 H new ATOM 0 HA TRP A 57 2.767 5.051 1.049 1.00 1.17 H new ATOM 0 HB2 TRP A 57 4.111 3.000 -0.737 1.00 1.15 H new ATOM 0 HB3 TRP A 57 2.971 2.535 0.510 1.00 1.15 H new ATOM 0 HD1 TRP A 57 3.153 3.904 -2.981 1.00 1.11 H new ATOM 0 HE1 TRP A 57 0.785 4.278 -3.924 1.00 1.09 H new ATOM 0 HE3 TRP A 57 0.435 3.125 1.289 1.00 1.07 H new ATOM 0 HZ2 TRP A 57 -1.921 4.341 -2.925 1.00 1.06 H new ATOM 0 HZ3 TRP A 57 -2.028 3.336 1.262 1.00 1.06 H new ATOM 0 HH2 TRP A 57 -3.207 3.955 -0.830 1.00 1.06 H new ATOM 982 N LYS A 58 5.809 4.139 1.785 1.00 1.32 N ATOM 983 CA LYS A 58 6.629 3.794 2.944 1.00 1.42 C ATOM 984 C LYS A 58 6.370 4.799 4.081 1.00 1.43 C ATOM 985 O LYS A 58 6.493 4.466 5.259 1.00 1.51 O ATOM 986 CB LYS A 58 8.115 3.782 2.581 1.00 1.54 C ATOM 987 CG LYS A 58 8.495 2.698 1.585 1.00 1.98 C ATOM 988 CD LYS A 58 8.119 1.311 2.087 1.00 2.07 C ATOM 989 CE LYS A 58 6.899 0.765 1.357 1.00 2.58 C ATOM 990 NZ LYS A 58 7.158 0.588 -0.096 1.00 2.89 N ATOM 0 H LYS A 58 6.330 4.391 0.945 1.00 1.32 H new ATOM 0 HA LYS A 58 6.354 2.793 3.276 1.00 1.42 H new ATOM 0 HB2 LYS A 58 8.386 4.753 2.168 1.00 1.54 H new ATOM 0 HB3 LYS A 58 8.701 3.648 3.491 1.00 1.54 H new ATOM 0 HG2 LYS A 58 7.997 2.888 0.634 1.00 1.98 H new ATOM 0 HG3 LYS A 58 9.568 2.738 1.396 1.00 1.98 H new ATOM 0 HD2 LYS A 58 8.961 0.632 1.949 1.00 2.07 H new ATOM 0 HD3 LYS A 58 7.915 1.353 3.157 1.00 2.07 H new ATOM 0 HE2 LYS A 58 6.612 -0.191 1.794 1.00 2.58 H new ATOM 0 HE3 LYS A 58 6.058 1.444 1.496 1.00 2.58 H new ATOM 0 HZ1 LYS A 58 6.634 -0.240 -0.444 1.00 2.89 H new ATOM 0 HZ2 LYS A 58 6.846 1.436 -0.610 1.00 2.89 H new ATOM 0 HZ3 LYS A 58 8.176 0.444 -0.252 1.00 2.89 H new ATOM 1004 N HIS A 59 6.020 6.036 3.701 1.00 1.39 N ATOM 1005 CA HIS A 59 5.713 7.107 4.659 1.00 1.40 C ATOM 1006 C HIS A 59 4.298 6.938 5.243 1.00 1.32 C ATOM 1007 O HIS A 59 4.045 7.313 6.384 1.00 1.35 O ATOM 1008 CB HIS A 59 5.926 8.475 4.007 1.00 1.43 C ATOM 1009 CG HIS A 59 7.353 8.692 3.580 1.00 1.58 C ATOM 1010 ND1 HIS A 59 8.120 8.031 2.673 1.00 1.81 N flip ATOM 1011 CD2 HIS A 59 8.162 9.671 4.115 1.00 1.59 C flip ATOM 1012 CE1 HIS A 59 9.364 8.616 2.682 1.00 1.93 C flip ATOM 1013 NE2 HIS A 59 9.362 9.603 3.560 1.00 1.79 N flip ATOM 0 H HIS A 59 5.942 6.321 2.725 1.00 1.39 H new ATOM 0 HA HIS A 59 6.401 7.040 5.502 1.00 1.40 H new ATOM 0 HB2 HIS A 59 5.272 8.567 3.140 1.00 1.43 H new ATOM 0 HB3 HIS A 59 5.637 9.258 4.708 1.00 1.43 H new ATOM 0 HD2 HIS A 59 7.863 10.383 4.870 1.00 1.59 H new ATOM 0 HE1 HIS A 59 10.204 8.318 2.072 1.00 1.93 H new ATOM 0 HE2 HIS A 59 10.153 10.211 3.774 1.00 1.79 H new ATOM 1022 N ILE A 60 3.364 6.426 4.429 1.00 1.23 N ATOM 1023 CA ILE A 60 2.013 6.081 4.897 1.00 1.20 C ATOM 1024 C ILE A 60 2.175 4.997 5.959 1.00 1.27 C ATOM 1025 O ILE A 60 1.608 5.145 7.030 1.00 1.33 O ATOM 1026 CB ILE A 60 1.065 5.668 3.749 1.00 1.15 C ATOM 1027 CG1 ILE A 60 0.724 6.930 2.925 1.00 1.14 C ATOM 1028 CG2 ILE A 60 -0.214 5.002 4.297 1.00 1.18 C ATOM 1029 CD1 ILE A 60 -0.040 6.647 1.629 1.00 1.14 C ATOM 0 H ILE A 60 3.520 6.241 3.438 1.00 1.23 H new ATOM 0 HA ILE A 60 1.528 6.957 5.328 1.00 1.20 H new ATOM 0 HB ILE A 60 1.557 4.933 3.112 1.00 1.15 H new ATOM 0 HG12 ILE A 60 0.131 7.604 3.543 1.00 1.14 H new ATOM 0 HG13 ILE A 60 1.649 7.452 2.681 1.00 1.14 H new ATOM 0 HG21 ILE A 60 -0.863 4.722 3.467 1.00 1.18 H new ATOM 0 HG22 ILE A 60 0.054 4.111 4.865 1.00 1.18 H new ATOM 0 HG23 ILE A 60 -0.739 5.702 4.947 1.00 1.18 H new ATOM 0 HD11 ILE A 60 -0.239 7.586 1.112 1.00 1.14 H new ATOM 0 HD12 ILE A 60 0.558 5.999 0.988 1.00 1.14 H new ATOM 0 HD13 ILE A 60 -0.984 6.154 1.863 1.00 1.14 H new ATOM 1041 N TYR A 61 3.032 3.992 5.740 1.00 1.31 N ATOM 1042 CA TYR A 61 3.448 3.024 6.765 1.00 1.43 C ATOM 1043 C TYR A 61 3.988 3.704 8.046 1.00 1.53 C ATOM 1044 O TYR A 61 3.786 3.203 9.154 1.00 1.64 O ATOM 1045 CB TYR A 61 4.482 2.070 6.147 1.00 1.46 C ATOM 1046 CG TYR A 61 5.160 1.108 7.105 1.00 1.62 C ATOM 1047 CD1 TYR A 61 4.521 -0.089 7.489 1.00 1.68 C ATOM 1048 CD2 TYR A 61 6.454 1.398 7.580 1.00 1.73 C ATOM 1049 CE1 TYR A 61 5.175 -0.998 8.346 1.00 1.84 C ATOM 1050 CE2 TYR A 61 7.111 0.493 8.435 1.00 1.89 C ATOM 1051 CZ TYR A 61 6.476 -0.708 8.818 1.00 1.94 C ATOM 1052 OH TYR A 61 7.134 -1.578 9.631 1.00 2.11 O ATOM 0 H TYR A 61 3.463 3.825 4.831 1.00 1.31 H new ATOM 0 HA TYR A 61 2.573 2.459 7.087 1.00 1.43 H new ATOM 0 HB2 TYR A 61 3.989 1.488 5.368 1.00 1.46 H new ATOM 0 HB3 TYR A 61 5.252 2.668 5.659 1.00 1.46 H new ATOM 0 HD1 TYR A 61 3.528 -0.310 7.126 1.00 1.68 H new ATOM 0 HD2 TYR A 61 6.943 2.316 7.288 1.00 1.73 H new ATOM 0 HE1 TYR A 61 4.684 -1.913 8.641 1.00 1.84 H new ATOM 0 HE2 TYR A 61 8.103 0.718 8.799 1.00 1.89 H new ATOM 0 HH TYR A 61 8.016 -1.214 9.855 1.00 2.11 H new ATOM 1062 N ASP A 62 4.606 4.878 7.878 1.00 1.52 N ATOM 1063 CA ASP A 62 5.036 5.710 9.013 1.00 1.62 C ATOM 1064 C ASP A 62 3.840 6.269 9.803 1.00 1.61 C ATOM 1065 O ASP A 62 3.752 6.064 11.016 1.00 1.72 O ATOM 1066 CB ASP A 62 6.041 6.799 8.611 1.00 1.65 C ATOM 1067 CG ASP A 62 6.711 7.409 9.853 1.00 1.79 C ATOM 1068 OD1 ASP A 62 7.622 6.767 10.428 1.00 1.92 O ATOM 1069 OD2 ASP A 62 6.341 8.540 10.252 1.00 1.79 O ATOM 0 H ASP A 62 4.821 5.277 6.964 1.00 1.52 H new ATOM 0 HA ASP A 62 5.577 5.049 9.690 1.00 1.62 H new ATOM 0 HB2 ASP A 62 6.800 6.375 7.954 1.00 1.65 H new ATOM 0 HB3 ASP A 62 5.531 7.580 8.047 1.00 1.65 H new ATOM 1074 N GLU A 63 2.870 6.888 9.123 1.00 1.50 N ATOM 1075 CA GLU A 63 1.607 7.306 9.758 1.00 1.50 C ATOM 1076 C GLU A 63 0.754 6.135 10.311 1.00 1.56 C ATOM 1077 O GLU A 63 0.145 6.277 11.374 1.00 1.66 O ATOM 1078 CB GLU A 63 0.812 8.158 8.756 1.00 1.41 C ATOM 1079 CG GLU A 63 -0.509 8.726 9.300 1.00 1.44 C ATOM 1080 CD GLU A 63 -0.350 9.628 10.537 1.00 1.53 C ATOM 1081 OE1 GLU A 63 0.541 10.511 10.545 1.00 1.53 O ATOM 1082 OE2 GLU A 63 -1.176 9.540 11.474 1.00 1.61 O ATOM 0 H GLU A 63 2.932 7.113 8.130 1.00 1.50 H new ATOM 0 HA GLU A 63 1.863 7.894 10.640 1.00 1.50 H new ATOM 0 HB2 GLU A 63 1.439 8.986 8.426 1.00 1.41 H new ATOM 0 HB3 GLU A 63 0.596 7.552 7.876 1.00 1.41 H new ATOM 0 HG2 GLU A 63 -0.998 9.296 8.510 1.00 1.44 H new ATOM 0 HG3 GLU A 63 -1.171 7.897 9.552 1.00 1.44 H new ATOM 1089 N LEU A 64 0.733 4.968 9.649 1.00 1.54 N ATOM 1090 CA LEU A 64 0.085 3.738 10.142 1.00 1.64 C ATOM 1091 C LEU A 64 0.737 3.213 11.436 1.00 1.79 C ATOM 1092 O LEU A 64 0.080 2.516 12.214 1.00 1.90 O ATOM 1093 CB LEU A 64 0.126 2.605 9.085 1.00 1.59 C ATOM 1094 CG LEU A 64 -0.629 2.837 7.764 1.00 1.48 C ATOM 1095 CD1 LEU A 64 -0.486 1.613 6.857 1.00 1.46 C ATOM 1096 CD2 LEU A 64 -2.116 3.134 7.968 1.00 1.53 C ATOM 0 H LEU A 64 1.174 4.848 8.737 1.00 1.54 H new ATOM 0 HA LEU A 64 -0.949 4.015 10.347 1.00 1.64 H new ATOM 0 HB2 LEU A 64 1.171 2.407 8.845 1.00 1.59 H new ATOM 0 HB3 LEU A 64 -0.272 1.701 9.546 1.00 1.59 H new ATOM 0 HG LEU A 64 -0.179 3.715 7.301 1.00 1.48 H new ATOM 0 HD11 LEU A 64 -1.023 1.786 5.925 1.00 1.46 H new ATOM 0 HD12 LEU A 64 0.569 1.441 6.641 1.00 1.46 H new ATOM 0 HD13 LEU A 64 -0.901 0.738 7.358 1.00 1.46 H new ATOM 0 HD21 LEU A 64 -2.592 3.288 7.000 1.00 1.53 H new ATOM 0 HD22 LEU A 64 -2.589 2.293 8.475 1.00 1.53 H new ATOM 0 HD23 LEU A 64 -2.228 4.033 8.574 1.00 1.53 H new ATOM 1108 N GLY A 65 2.031 3.084 11.436 1.00 1.82 N ATOM 1109 CA GLY A 65 2.628 2.536 12.627 1.00 2.01 C ATOM 1110 C GLY A 65 3.875 1.756 12.287 1.00 2.12 C ATOM 1111 O GLY A 65 4.247 1.660 11.127 1.00 1.99 O ATOM 0 H GLY A 65 2.665 3.332 10.677 1.00 1.82 H new ATOM 0 HA2 GLY A 65 2.874 3.341 13.320 1.00 2.01 H new ATOM 0 HA3 GLY A 65 1.913 1.887 13.133 1.00 2.01 H new ATOM 1115 N GLY A 66 4.480 1.117 13.271 1.00 2.43 N ATOM 1116 CA GLY A 66 5.627 0.281 12.957 1.00 2.61 C ATOM 1117 C GLY A 66 5.243 -1.215 12.880 1.00 2.81 C ATOM 1118 O GLY A 66 4.410 -1.678 13.655 1.00 3.02 O ATOM 0 H GLY A 66 4.213 1.155 14.255 1.00 2.43 H new ATOM 0 HA2 GLY A 66 6.057 0.595 12.006 1.00 2.61 H new ATOM 0 HA3 GLY A 66 6.397 0.420 13.716 1.00 2.61 H new ATOM 1122 N ASN A 67 5.852 -1.968 11.955 1.00 2.79 N ATOM 1123 CA ASN A 67 5.601 -3.424 11.812 1.00 3.02 C ATOM 1124 C ASN A 67 6.947 -4.169 11.691 1.00 3.12 C ATOM 1125 O ASN A 67 7.504 -4.271 10.597 1.00 2.83 O ATOM 1126 CB ASN A 67 4.697 -3.728 10.587 1.00 2.85 C ATOM 1127 CG ASN A 67 4.143 -5.153 10.563 1.00 3.14 C ATOM 1128 OD1 ASN A 67 3.105 -5.432 11.161 1.00 3.57 O ATOM 1129 ND2 ASN A 67 4.812 -6.060 9.855 1.00 3.34 N ATOM 0 H ASN A 67 6.528 -1.598 11.286 1.00 2.79 H new ATOM 0 HA ASN A 67 5.073 -3.772 12.700 1.00 3.02 H new ATOM 0 HB2 ASN A 67 3.864 -3.025 10.579 1.00 2.85 H new ATOM 0 HB3 ASN A 67 5.268 -3.556 9.675 1.00 2.85 H new ATOM 0 HD21 ASN A 67 4.467 -7.018 9.797 1.00 3.34 H new ATOM 0 HD22 ASN A 67 5.670 -5.797 9.370 1.00 3.34 H new ATOM 1136 N PRO A 68 7.486 -4.703 12.823 1.00 3.59 N ATOM 1137 CA PRO A 68 8.801 -5.400 12.870 1.00 3.82 C ATOM 1138 C PRO A 68 9.060 -6.461 11.780 1.00 3.69 C ATOM 1139 O PRO A 68 8.288 -7.414 11.621 1.00 3.80 O ATOM 1140 CB PRO A 68 8.810 -6.086 14.251 1.00 4.46 C ATOM 1141 CG PRO A 68 7.464 -5.847 14.860 1.00 4.52 C ATOM 1142 CD PRO A 68 6.871 -4.655 14.159 1.00 3.98 C ATOM 0 HA PRO A 68 9.586 -4.665 12.696 1.00 3.82 H new ATOM 0 HB2 PRO A 68 9.005 -7.154 14.151 1.00 4.46 H new ATOM 0 HB3 PRO A 68 9.598 -5.675 14.882 1.00 4.46 H new ATOM 0 HG2 PRO A 68 6.825 -6.722 14.740 1.00 4.52 H new ATOM 0 HG3 PRO A 68 7.552 -5.661 15.930 1.00 4.52 H new ATOM 0 HD2 PRO A 68 5.784 -4.721 14.104 1.00 3.98 H new ATOM 0 HD3 PRO A 68 7.108 -3.726 14.677 1.00 3.98 H new ATOM 1150 N GLY A 69 10.174 -6.287 11.040 1.00 3.53 N ATOM 1151 CA GLY A 69 10.574 -7.253 10.015 1.00 3.44 C ATOM 1152 C GLY A 69 10.173 -6.884 8.599 1.00 2.86 C ATOM 1153 O GLY A 69 10.533 -7.584 7.649 1.00 2.82 O ATOM 0 H GLY A 69 10.804 -5.490 11.137 1.00 3.53 H new ATOM 0 HA2 GLY A 69 11.657 -7.372 10.051 1.00 3.44 H new ATOM 0 HA3 GLY A 69 10.139 -8.222 10.260 1.00 3.44 H new ATOM 1157 N SER A 70 9.440 -5.787 8.438 1.00 2.44 N ATOM 1158 CA SER A 70 8.964 -5.381 7.114 1.00 2.00 C ATOM 1159 C SER A 70 9.488 -4.014 6.675 1.00 1.53 C ATOM 1160 O SER A 70 9.375 -3.027 7.404 1.00 1.46 O ATOM 1161 CB SER A 70 7.436 -5.345 7.106 1.00 2.18 C ATOM 1162 OG SER A 70 6.888 -6.579 7.531 1.00 2.80 O ATOM 0 H SER A 70 9.163 -5.166 9.198 1.00 2.44 H new ATOM 0 HA SER A 70 9.346 -6.119 6.409 1.00 2.00 H new ATOM 0 HB2 SER A 70 7.086 -4.546 7.759 1.00 2.18 H new ATOM 0 HB3 SER A 70 7.081 -5.114 6.101 1.00 2.18 H new ATOM 0 HG SER A 70 7.586 -7.267 7.522 1.00 2.80 H new ATOM 1168 N THR A 71 10.060 -3.971 5.472 1.00 1.44 N ATOM 1169 CA THR A 71 10.544 -2.722 4.888 1.00 1.46 C ATOM 1170 C THR A 71 9.678 -2.367 3.676 1.00 1.45 C ATOM 1171 O THR A 71 9.903 -1.367 2.993 1.00 1.87 O ATOM 1172 CB THR A 71 12.023 -2.820 4.453 1.00 1.83 C ATOM 1173 OG1 THR A 71 12.497 -1.542 4.005 1.00 2.27 O ATOM 1174 CG2 THR A 71 12.198 -3.847 3.342 1.00 2.08 C ATOM 0 H THR A 71 10.200 -4.791 4.881 1.00 1.44 H new ATOM 0 HA THR A 71 10.475 -1.946 5.650 1.00 1.46 H new ATOM 0 HB THR A 71 12.606 -3.138 5.318 1.00 1.83 H new ATOM 0 HG1 THR A 71 11.781 -1.078 3.523 1.00 2.27 H new ATOM 0 HG21 THR A 71 13.248 -3.896 3.054 1.00 2.08 H new ATOM 0 HG22 THR A 71 11.872 -4.825 3.696 1.00 2.08 H new ATOM 0 HG23 THR A 71 11.599 -3.556 2.479 1.00 2.08 H new ATOM 1182 N SER A 72 8.671 -3.209 3.428 1.00 1.38 N ATOM 1183 CA SER A 72 7.756 -3.020 2.307 1.00 1.57 C ATOM 1184 C SER A 72 6.397 -3.665 2.592 1.00 1.49 C ATOM 1185 O SER A 72 6.104 -4.764 2.113 1.00 1.91 O ATOM 1186 CB SER A 72 8.354 -3.621 1.038 1.00 2.05 C ATOM 1187 OG SER A 72 7.525 -3.388 -0.083 1.00 2.49 O ATOM 0 H SER A 72 8.471 -4.033 3.995 1.00 1.38 H new ATOM 0 HA SER A 72 7.607 -1.949 2.168 1.00 1.57 H new ATOM 0 HB2 SER A 72 9.340 -3.191 0.859 1.00 2.05 H new ATOM 0 HB3 SER A 72 8.494 -4.694 1.172 1.00 2.05 H new ATOM 0 HG SER A 72 7.935 -3.783 -0.881 1.00 2.49 H new ATOM 1193 N ALA A 73 5.575 -2.975 3.377 1.00 1.18 N ATOM 1194 CA ALA A 73 4.249 -3.475 3.729 1.00 1.24 C ATOM 1195 C ALA A 73 3.150 -2.588 3.152 1.00 1.27 C ATOM 1196 O ALA A 73 2.005 -3.015 3.004 1.00 1.39 O ATOM 1197 CB ALA A 73 4.108 -3.578 5.240 1.00 1.32 C ATOM 0 H ALA A 73 5.804 -2.067 3.782 1.00 1.18 H new ATOM 0 HA ALA A 73 4.139 -4.469 3.295 1.00 1.24 H new ATOM 0 HB1 ALA A 73 3.115 -3.952 5.488 1.00 1.32 H new ATOM 0 HB2 ALA A 73 4.861 -4.263 5.630 1.00 1.32 H new ATOM 0 HB3 ALA A 73 4.247 -2.593 5.686 1.00 1.32 H new ATOM 1203 N ALA A 74 3.509 -1.355 2.821 1.00 1.27 N ATOM 1204 CA ALA A 74 2.558 -0.407 2.256 1.00 1.40 C ATOM 1205 C ALA A 74 2.418 -0.573 0.745 1.00 1.28 C ATOM 1206 O ALA A 74 1.506 -0.010 0.136 1.00 1.34 O ATOM 1207 CB ALA A 74 2.965 1.005 2.593 1.00 1.61 C ATOM 0 H ALA A 74 4.454 -0.987 2.934 1.00 1.27 H new ATOM 0 HA ALA A 74 1.584 -0.615 2.700 1.00 1.40 H new ATOM 0 HB1 ALA A 74 2.246 1.703 2.165 1.00 1.61 H new ATOM 0 HB2 ALA A 74 2.989 1.128 3.676 1.00 1.61 H new ATOM 0 HB3 ALA A 74 3.955 1.206 2.183 1.00 1.61 H new ATOM 1213 N THR A 75 3.339 -1.332 0.147 1.00 1.16 N ATOM 1214 CA THR A 75 3.312 -1.595 -1.289 1.00 1.15 C ATOM 1215 C THR A 75 2.044 -2.356 -1.658 1.00 1.20 C ATOM 1216 O THR A 75 1.486 -2.184 -2.743 1.00 1.25 O ATOM 1217 CB THR A 75 4.552 -2.397 -1.743 1.00 1.17 C ATOM 1218 OG1 THR A 75 5.742 -1.661 -1.436 1.00 1.24 O ATOM 1219 CG2 THR A 75 4.510 -2.670 -3.241 1.00 1.66 C ATOM 0 H THR A 75 4.114 -1.776 0.639 1.00 1.16 H new ATOM 0 HA THR A 75 3.324 -0.634 -1.802 1.00 1.15 H new ATOM 0 HB THR A 75 4.551 -3.349 -1.213 1.00 1.17 H new ATOM 0 HG1 THR A 75 6.374 -2.243 -0.964 1.00 1.24 H new ATOM 0 HG21 THR A 75 5.395 -3.236 -3.533 1.00 1.66 H new ATOM 0 HG22 THR A 75 3.616 -3.245 -3.481 1.00 1.66 H new ATOM 0 HG23 THR A 75 4.489 -1.724 -3.783 1.00 1.66 H new ATOM 1227 N CYS A 76 1.590 -3.189 -0.727 1.00 1.24 N ATOM 1228 CA CYS A 76 0.375 -3.965 -0.906 1.00 1.36 C ATOM 1229 C CYS A 76 -0.848 -3.046 -0.880 1.00 1.39 C ATOM 1230 O CYS A 76 -1.827 -3.276 -1.590 1.00 1.46 O ATOM 1231 CB CYS A 76 0.269 -5.010 0.203 1.00 1.46 C ATOM 1232 SG CYS A 76 1.830 -5.846 0.571 1.00 1.61 S ATOM 0 H CYS A 76 2.054 -3.342 0.168 1.00 1.24 H new ATOM 0 HA CYS A 76 0.411 -4.468 -1.872 1.00 1.36 H new ATOM 0 HB2 CYS A 76 -0.097 -4.528 1.110 1.00 1.46 H new ATOM 0 HB3 CYS A 76 -0.473 -5.756 -0.083 1.00 1.46 H new ATOM 0 HG CYS A 76 1.609 -7.113 0.761 1.00 1.61 H new ATOM 1238 N THR A 77 -0.764 -1.999 -0.055 1.00 1.35 N ATOM 1239 CA THR A 77 -1.840 -1.014 0.089 1.00 1.39 C ATOM 1240 C THR A 77 -2.032 -0.195 -1.195 1.00 1.34 C ATOM 1241 O THR A 77 -3.134 0.264 -1.484 1.00 1.38 O ATOM 1242 CB THR A 77 -1.545 -0.042 1.254 1.00 1.41 C ATOM 1243 OG1 THR A 77 -0.887 -0.732 2.324 1.00 1.48 O ATOM 1244 CG2 THR A 77 -2.826 0.587 1.779 1.00 1.49 C ATOM 0 H THR A 77 0.049 -1.810 0.531 1.00 1.35 H new ATOM 0 HA THR A 77 -2.752 -1.573 0.295 1.00 1.39 H new ATOM 0 HB THR A 77 -0.896 0.746 0.872 1.00 1.41 H new ATOM 0 HG1 THR A 77 -0.704 -0.105 3.054 1.00 1.48 H new ATOM 0 HG21 THR A 77 -2.589 1.266 2.598 1.00 1.49 H new ATOM 0 HG22 THR A 77 -3.314 1.141 0.978 1.00 1.49 H new ATOM 0 HG23 THR A 77 -3.495 -0.195 2.138 1.00 1.49 H new ATOM 1252 N ARG A 78 -0.943 -0.018 -1.948 1.00 1.27 N ATOM 1253 CA ARG A 78 -0.950 0.744 -3.206 1.00 1.25 C ATOM 1254 C ARG A 78 -1.862 0.095 -4.259 1.00 1.30 C ATOM 1255 O ARG A 78 -2.621 0.774 -4.950 1.00 1.29 O ATOM 1256 CB ARG A 78 0.494 0.829 -3.734 1.00 1.25 C ATOM 1257 CG ARG A 78 0.650 1.480 -5.104 1.00 1.33 C ATOM 1258 CD ARG A 78 1.993 1.116 -5.727 1.00 1.40 C ATOM 1259 NE ARG A 78 2.427 2.080 -6.739 1.00 1.56 N ATOM 1260 CZ ARG A 78 3.700 2.254 -7.101 1.00 1.92 C ATOM 1261 NH1 ARG A 78 4.666 1.536 -6.534 1.00 2.01 N ATOM 1262 NH2 ARG A 78 4.010 3.145 -8.032 1.00 2.42 N ATOM 0 H ARG A 78 -0.028 -0.399 -1.705 1.00 1.27 H new ATOM 0 HA ARG A 78 -1.343 1.742 -3.011 1.00 1.25 H new ATOM 0 HB2 ARG A 78 1.094 1.386 -3.015 1.00 1.25 H new ATOM 0 HB3 ARG A 78 0.906 -0.179 -3.780 1.00 1.25 H new ATOM 0 HG2 ARG A 78 -0.159 1.157 -5.759 1.00 1.33 H new ATOM 0 HG3 ARG A 78 0.570 2.563 -5.008 1.00 1.33 H new ATOM 0 HD2 ARG A 78 2.748 1.054 -4.943 1.00 1.40 H new ATOM 0 HD3 ARG A 78 1.922 0.127 -6.180 1.00 1.40 H new ATOM 0 HE ARG A 78 1.716 2.652 -7.194 1.00 1.56 H new ATOM 0 HH11 ARG A 78 4.436 0.847 -5.818 1.00 2.01 H new ATOM 0 HH12 ARG A 78 5.637 1.674 -6.816 1.00 2.01 H new ATOM 0 HH21 ARG A 78 3.275 3.699 -8.473 1.00 2.42 H new ATOM 0 HH22 ARG A 78 4.983 3.277 -8.308 1.00 2.42 H new ATOM 1276 N ARG A 79 -1.765 -1.224 -4.354 1.00 1.37 N ATOM 1277 CA ARG A 79 -2.526 -2.033 -5.300 1.00 1.45 C ATOM 1278 C ARG A 79 -3.998 -2.193 -4.905 1.00 1.48 C ATOM 1279 O ARG A 79 -4.852 -2.375 -5.773 1.00 1.54 O ATOM 1280 CB ARG A 79 -1.860 -3.402 -5.522 1.00 1.52 C ATOM 1281 CG ARG A 79 -0.400 -3.285 -6.001 1.00 1.51 C ATOM 1282 CD ARG A 79 0.220 -4.653 -6.317 1.00 1.59 C ATOM 1283 NE ARG A 79 -0.370 -5.265 -7.529 1.00 1.67 N ATOM 1284 CZ ARG A 79 -0.105 -6.464 -8.016 1.00 1.76 C ATOM 1285 NH1 ARG A 79 0.742 -7.273 -7.446 1.00 1.79 N ATOM 1286 NH2 ARG A 79 -0.691 -6.878 -9.103 1.00 1.82 N ATOM 0 H ARG A 79 -1.142 -1.775 -3.763 1.00 1.37 H new ATOM 0 HA ARG A 79 -2.518 -1.488 -6.244 1.00 1.45 H new ATOM 0 HB2 ARG A 79 -1.888 -3.970 -4.592 1.00 1.52 H new ATOM 0 HB3 ARG A 79 -2.435 -3.966 -6.257 1.00 1.52 H new ATOM 0 HG2 ARG A 79 -0.361 -2.657 -6.891 1.00 1.51 H new ATOM 0 HG3 ARG A 79 0.193 -2.788 -5.233 1.00 1.51 H new ATOM 0 HD2 ARG A 79 1.295 -4.540 -6.455 1.00 1.59 H new ATOM 0 HD3 ARG A 79 0.076 -5.321 -5.468 1.00 1.59 H new ATOM 0 HE ARG A 79 -1.051 -4.703 -8.040 1.00 1.67 H new ATOM 0 HH11 ARG A 79 1.226 -6.988 -6.595 1.00 1.79 H new ATOM 0 HH12 ARG A 79 0.921 -8.192 -7.851 1.00 1.79 H new ATOM 0 HH21 ARG A 79 -1.359 -6.275 -9.584 1.00 1.82 H new ATOM 0 HH22 ARG A 79 -0.482 -7.805 -9.474 1.00 1.82 H new ATOM 1300 N HIS A 80 -4.304 -2.081 -3.612 1.00 1.47 N ATOM 1301 CA HIS A 80 -5.670 -1.994 -3.098 1.00 1.50 C ATOM 1302 C HIS A 80 -6.249 -0.591 -3.339 1.00 1.44 C ATOM 1303 O HIS A 80 -7.307 -0.470 -3.953 1.00 1.48 O ATOM 1304 CB HIS A 80 -5.684 -2.401 -1.613 1.00 1.52 C ATOM 1305 CG HIS A 80 -5.097 -3.773 -1.357 1.00 1.60 C ATOM 1306 ND1 HIS A 80 -5.169 -4.874 -2.180 1.00 1.62 N flip ATOM 1307 CD2 HIS A 80 -4.383 -4.160 -0.243 1.00 1.68 C flip ATOM 1308 CE1 HIS A 80 -4.491 -5.932 -1.558 1.00 1.70 C flip ATOM 1309 NE2 HIS A 80 -4.037 -5.452 -0.389 1.00 1.74 N flip ATOM 0 H HIS A 80 -3.595 -2.048 -2.879 1.00 1.47 H new ATOM 0 HA HIS A 80 -6.316 -2.688 -3.635 1.00 1.50 H new ATOM 0 HB2 HIS A 80 -5.126 -1.663 -1.037 1.00 1.52 H new ATOM 0 HB3 HIS A 80 -6.711 -2.380 -1.248 1.00 1.52 H new ATOM 0 HD2 HIS A 80 -4.142 -3.533 0.603 1.00 1.68 H new ATOM 0 HE1 HIS A 80 -4.360 -6.933 -1.942 1.00 1.70 H new ATOM 0 HE2 HIS A 80 -3.504 -5.992 0.293 1.00 1.74 H new ATOM 1318 N TYR A 81 -5.534 0.481 -2.962 1.00 1.35 N ATOM 1319 CA TYR A 81 -5.992 1.872 -3.118 1.00 1.29 C ATOM 1320 C TYR A 81 -6.359 2.225 -4.566 1.00 1.32 C ATOM 1321 O TYR A 81 -7.364 2.901 -4.798 1.00 1.34 O ATOM 1322 CB TYR A 81 -4.904 2.816 -2.578 1.00 1.21 C ATOM 1323 CG TYR A 81 -5.294 4.287 -2.441 1.00 1.16 C ATOM 1324 CD1 TYR A 81 -5.427 5.104 -3.586 1.00 1.16 C ATOM 1325 CD2 TYR A 81 -5.469 4.856 -1.164 1.00 1.14 C ATOM 1326 CE1 TYR A 81 -5.753 6.469 -3.454 1.00 1.14 C ATOM 1327 CE2 TYR A 81 -5.722 6.236 -1.028 1.00 1.12 C ATOM 1328 CZ TYR A 81 -5.882 7.048 -2.172 1.00 1.12 C ATOM 1329 OH TYR A 81 -6.191 8.366 -2.028 1.00 1.11 O ATOM 0 H TYR A 81 -4.611 0.406 -2.535 1.00 1.35 H new ATOM 0 HA TYR A 81 -6.911 1.991 -2.544 1.00 1.29 H new ATOM 0 HB2 TYR A 81 -4.590 2.452 -1.600 1.00 1.21 H new ATOM 0 HB3 TYR A 81 -4.037 2.751 -3.236 1.00 1.21 H new ATOM 0 HD1 TYR A 81 -5.278 4.680 -4.568 1.00 1.16 H new ATOM 0 HD2 TYR A 81 -5.409 4.232 -0.285 1.00 1.14 H new ATOM 0 HE1 TYR A 81 -5.905 7.074 -4.336 1.00 1.14 H new ATOM 0 HE2 TYR A 81 -5.794 6.675 -0.044 1.00 1.12 H new ATOM 0 HH TYR A 81 -6.757 8.653 -2.775 1.00 1.11 H new ATOM 1339 N GLU A 82 -5.612 1.716 -5.559 1.00 1.34 N ATOM 1340 CA GLU A 82 -5.826 2.022 -6.973 1.00 1.39 C ATOM 1341 C GLU A 82 -7.106 1.389 -7.540 1.00 1.50 C ATOM 1342 O GLU A 82 -7.475 1.669 -8.683 1.00 1.56 O ATOM 1343 CB GLU A 82 -4.581 1.710 -7.820 1.00 1.40 C ATOM 1344 CG GLU A 82 -4.345 0.226 -8.081 1.00 1.46 C ATOM 1345 CD GLU A 82 -3.272 0.016 -9.164 1.00 1.49 C ATOM 1346 OE1 GLU A 82 -3.596 0.200 -10.364 1.00 1.56 O ATOM 1347 OE2 GLU A 82 -2.121 -0.356 -8.829 1.00 1.46 O ATOM 0 H GLU A 82 -4.836 1.075 -5.396 1.00 1.34 H new ATOM 0 HA GLU A 82 -5.986 3.098 -7.034 1.00 1.39 H new ATOM 0 HB2 GLU A 82 -4.671 2.224 -8.777 1.00 1.40 H new ATOM 0 HB3 GLU A 82 -3.705 2.121 -7.319 1.00 1.40 H new ATOM 0 HG2 GLU A 82 -4.035 -0.264 -7.158 1.00 1.46 H new ATOM 0 HG3 GLU A 82 -5.278 -0.244 -8.393 1.00 1.46 H new ATOM 1354 N ARG A 83 -7.790 0.553 -6.739 1.00 1.53 N ATOM 1355 CA ARG A 83 -9.133 0.056 -7.067 1.00 1.64 C ATOM 1356 C ARG A 83 -10.185 0.325 -5.982 1.00 1.64 C ATOM 1357 O ARG A 83 -11.365 0.097 -6.238 1.00 1.73 O ATOM 1358 CB ARG A 83 -9.082 -1.450 -7.399 1.00 1.73 C ATOM 1359 CG ARG A 83 -8.229 -1.823 -8.619 1.00 1.75 C ATOM 1360 CD ARG A 83 -8.765 -1.237 -9.935 1.00 1.81 C ATOM 1361 NE ARG A 83 -7.882 -1.585 -11.065 1.00 1.84 N ATOM 1362 CZ ARG A 83 -6.732 -1.006 -11.368 1.00 1.78 C ATOM 1363 NH1 ARG A 83 -6.332 0.096 -10.809 1.00 1.68 N ATOM 1364 NH2 ARG A 83 -5.928 -1.538 -12.241 1.00 1.82 N ATOM 0 H ARG A 83 -7.428 0.206 -5.851 1.00 1.53 H new ATOM 0 HA ARG A 83 -9.453 0.622 -7.942 1.00 1.64 H new ATOM 0 HB2 ARG A 83 -8.697 -1.984 -6.530 1.00 1.73 H new ATOM 0 HB3 ARG A 83 -10.100 -1.803 -7.566 1.00 1.73 H new ATOM 0 HG2 ARG A 83 -7.209 -1.473 -8.462 1.00 1.75 H new ATOM 0 HG3 ARG A 83 -8.184 -2.909 -8.704 1.00 1.75 H new ATOM 0 HD2 ARG A 83 -9.770 -1.615 -10.124 1.00 1.81 H new ATOM 0 HD3 ARG A 83 -8.843 -0.153 -9.850 1.00 1.81 H new ATOM 0 HE ARG A 83 -8.188 -2.346 -11.671 1.00 1.84 H new ATOM 0 HH11 ARG A 83 -6.913 0.551 -10.105 1.00 1.68 H new ATOM 0 HH12 ARG A 83 -5.437 0.507 -11.074 1.00 1.68 H new ATOM 0 HH21 ARG A 83 -6.181 -2.412 -12.701 1.00 1.82 H new ATOM 0 HH22 ARG A 83 -5.044 -1.081 -12.465 1.00 1.82 H new ATOM 1378 N LEU A 84 -9.781 0.833 -4.813 1.00 1.56 N ATOM 1379 CA LEU A 84 -10.666 0.905 -3.646 1.00 1.57 C ATOM 1380 C LEU A 84 -10.959 2.351 -3.209 1.00 1.51 C ATOM 1381 O LEU A 84 -11.847 2.570 -2.394 1.00 1.54 O ATOM 1382 CB LEU A 84 -9.985 0.073 -2.545 1.00 1.56 C ATOM 1383 CG LEU A 84 -10.802 -0.166 -1.274 1.00 1.61 C ATOM 1384 CD1 LEU A 84 -12.102 -0.916 -1.543 1.00 1.73 C ATOM 1385 CD2 LEU A 84 -9.977 -0.990 -0.289 1.00 1.61 C ATOM 0 H LEU A 84 -8.844 1.201 -4.650 1.00 1.56 H new ATOM 0 HA LEU A 84 -11.651 0.502 -3.880 1.00 1.57 H new ATOM 0 HB2 LEU A 84 -9.715 -0.896 -2.966 1.00 1.56 H new ATOM 0 HB3 LEU A 84 -9.056 0.570 -2.266 1.00 1.56 H new ATOM 0 HG LEU A 84 -11.051 0.815 -0.869 1.00 1.61 H new ATOM 0 HD11 LEU A 84 -12.641 -1.058 -0.606 1.00 1.73 H new ATOM 0 HD12 LEU A 84 -12.719 -0.340 -2.233 1.00 1.73 H new ATOM 0 HD13 LEU A 84 -11.877 -1.888 -1.983 1.00 1.73 H new ATOM 0 HD21 LEU A 84 -10.557 -1.161 0.618 1.00 1.61 H new ATOM 0 HD22 LEU A 84 -9.720 -1.948 -0.742 1.00 1.61 H new ATOM 0 HD23 LEU A 84 -9.064 -0.450 -0.038 1.00 1.61 H new ATOM 1397 N ILE A 85 -10.246 3.337 -3.767 1.00 1.44 N ATOM 1398 CA ILE A 85 -10.622 4.756 -3.614 1.00 1.41 C ATOM 1399 C ILE A 85 -10.057 5.669 -4.700 1.00 1.39 C ATOM 1400 O ILE A 85 -10.681 6.688 -4.973 1.00 1.42 O ATOM 1401 CB ILE A 85 -10.316 5.282 -2.199 1.00 1.35 C ATOM 1402 CG1 ILE A 85 -10.980 6.664 -1.986 1.00 1.35 C ATOM 1403 CG2 ILE A 85 -8.813 5.328 -1.913 1.00 1.26 C ATOM 1404 CD1 ILE A 85 -11.245 7.005 -0.519 1.00 1.33 C ATOM 0 H ILE A 85 -9.408 3.184 -4.327 1.00 1.44 H new ATOM 0 HA ILE A 85 -11.703 4.785 -3.750 1.00 1.41 H new ATOM 0 HB ILE A 85 -10.743 4.581 -1.482 1.00 1.35 H new ATOM 0 HG12 ILE A 85 -10.340 7.434 -2.418 1.00 1.35 H new ATOM 0 HG13 ILE A 85 -11.924 6.691 -2.531 1.00 1.35 H new ATOM 0 HG21 ILE A 85 -8.646 5.705 -0.904 1.00 1.26 H new ATOM 0 HG22 ILE A 85 -8.395 4.325 -1.999 1.00 1.26 H new ATOM 0 HG23 ILE A 85 -8.326 5.987 -2.632 1.00 1.26 H new ATOM 0 HD11 ILE A 85 -11.711 7.988 -0.452 1.00 1.33 H new ATOM 0 HD12 ILE A 85 -11.910 6.258 -0.086 1.00 1.33 H new ATOM 0 HD13 ILE A 85 -10.303 7.013 0.029 1.00 1.33 H new ATOM 1416 N LEU A 86 -8.984 5.304 -5.408 1.00 1.37 N ATOM 1417 CA LEU A 86 -8.566 6.014 -6.625 1.00 1.39 C ATOM 1418 C LEU A 86 -9.729 6.252 -7.628 1.00 1.49 C ATOM 1419 O LEU A 86 -9.826 7.368 -8.147 1.00 1.52 O ATOM 1420 CB LEU A 86 -7.384 5.260 -7.253 1.00 1.37 C ATOM 1421 CG LEU A 86 -6.790 5.876 -8.531 1.00 1.41 C ATOM 1422 CD1 LEU A 86 -6.306 7.315 -8.321 1.00 1.37 C ATOM 1423 CD2 LEU A 86 -5.607 5.047 -9.019 1.00 1.40 C ATOM 0 H LEU A 86 -8.385 4.517 -5.159 1.00 1.37 H new ATOM 0 HA LEU A 86 -8.244 7.018 -6.348 1.00 1.39 H new ATOM 0 HB2 LEU A 86 -6.591 5.184 -6.509 1.00 1.37 H new ATOM 0 HB3 LEU A 86 -7.707 4.244 -7.480 1.00 1.37 H new ATOM 0 HG LEU A 86 -7.593 5.882 -9.268 1.00 1.41 H new ATOM 0 HD11 LEU A 86 -5.896 7.701 -9.254 1.00 1.37 H new ATOM 0 HD12 LEU A 86 -7.143 7.938 -8.007 1.00 1.37 H new ATOM 0 HD13 LEU A 86 -5.534 7.331 -7.552 1.00 1.37 H new ATOM 0 HD21 LEU A 86 -5.197 5.495 -9.924 1.00 1.40 H new ATOM 0 HD22 LEU A 86 -4.838 5.021 -8.247 1.00 1.40 H new ATOM 0 HD23 LEU A 86 -5.939 4.032 -9.235 1.00 1.40 H new ATOM 1435 N PRO A 87 -10.661 5.296 -7.869 1.00 1.58 N ATOM 1436 CA PRO A 87 -11.853 5.558 -8.685 1.00 1.69 C ATOM 1437 C PRO A 87 -12.943 6.417 -8.007 1.00 1.71 C ATOM 1438 O PRO A 87 -13.805 6.927 -8.727 1.00 1.80 O ATOM 1439 CB PRO A 87 -12.400 4.179 -9.073 1.00 1.78 C ATOM 1440 CG PRO A 87 -11.941 3.278 -7.933 1.00 1.71 C ATOM 1441 CD PRO A 87 -10.577 3.862 -7.583 1.00 1.59 C ATOM 0 HA PRO A 87 -11.563 6.162 -9.544 1.00 1.69 H new ATOM 0 HB2 PRO A 87 -13.486 4.189 -9.163 1.00 1.78 H new ATOM 0 HB3 PRO A 87 -12.004 3.846 -10.032 1.00 1.78 H new ATOM 0 HG2 PRO A 87 -12.627 3.312 -7.087 1.00 1.71 H new ATOM 0 HG3 PRO A 87 -11.869 2.235 -8.243 1.00 1.71 H new ATOM 0 HD2 PRO A 87 -10.336 3.688 -6.534 1.00 1.59 H new ATOM 0 HD3 PRO A 87 -9.790 3.393 -8.173 1.00 1.59 H new ATOM 1449 N TYR A 88 -12.932 6.608 -6.675 1.00 1.63 N ATOM 1450 CA TYR A 88 -13.984 7.365 -5.970 1.00 1.66 C ATOM 1451 C TYR A 88 -13.539 8.750 -5.464 1.00 1.59 C ATOM 1452 O TYR A 88 -14.340 9.678 -5.513 1.00 1.64 O ATOM 1453 CB TYR A 88 -14.653 6.493 -4.888 1.00 1.68 C ATOM 1454 CG TYR A 88 -16.036 5.964 -5.269 1.00 1.80 C ATOM 1455 CD1 TYR A 88 -16.303 5.485 -6.571 1.00 1.89 C ATOM 1456 CD2 TYR A 88 -17.069 5.952 -4.310 1.00 1.84 C ATOM 1457 CE1 TYR A 88 -17.584 5.009 -6.908 1.00 2.01 C ATOM 1458 CE2 TYR A 88 -18.356 5.484 -4.644 1.00 1.97 C ATOM 1459 CZ TYR A 88 -18.616 5.007 -5.946 1.00 2.05 C ATOM 1460 OH TYR A 88 -19.853 4.545 -6.281 1.00 2.17 O ATOM 0 H TYR A 88 -12.202 6.246 -6.062 1.00 1.63 H new ATOM 0 HA TYR A 88 -14.746 7.606 -6.711 1.00 1.66 H new ATOM 0 HB2 TYR A 88 -14.002 5.647 -4.667 1.00 1.68 H new ATOM 0 HB3 TYR A 88 -14.740 7.076 -3.971 1.00 1.68 H new ATOM 0 HD1 TYR A 88 -15.518 5.484 -7.313 1.00 1.89 H new ATOM 0 HD2 TYR A 88 -16.872 6.305 -3.309 1.00 1.84 H new ATOM 0 HE1 TYR A 88 -17.777 4.644 -7.906 1.00 2.01 H new ATOM 0 HE2 TYR A 88 -19.142 5.491 -3.904 1.00 1.97 H new ATOM 0 HH TYR A 88 -20.448 4.611 -5.505 1.00 2.17 H new ATOM 1470 N GLU A 89 -12.261 8.983 -5.130 1.00 1.50 N ATOM 1471 CA GLU A 89 -11.748 10.355 -4.902 1.00 1.46 C ATOM 1472 C GLU A 89 -11.949 11.266 -6.139 1.00 1.53 C ATOM 1473 O GLU A 89 -11.926 12.491 -6.031 1.00 1.55 O ATOM 1474 CB GLU A 89 -10.278 10.365 -4.430 1.00 1.36 C ATOM 1475 CG GLU A 89 -9.244 9.939 -5.488 1.00 1.35 C ATOM 1476 CD GLU A 89 -7.805 10.274 -5.047 1.00 1.27 C ATOM 1477 OE1 GLU A 89 -7.229 9.542 -4.206 1.00 1.21 O ATOM 1478 OE2 GLU A 89 -7.236 11.273 -5.558 1.00 1.29 O ATOM 0 H GLU A 89 -11.563 8.249 -5.011 1.00 1.50 H new ATOM 0 HA GLU A 89 -12.346 10.770 -4.091 1.00 1.46 H new ATOM 0 HB2 GLU A 89 -10.030 11.370 -4.088 1.00 1.36 H new ATOM 0 HB3 GLU A 89 -10.186 9.703 -3.569 1.00 1.36 H new ATOM 0 HG2 GLU A 89 -9.329 8.867 -5.669 1.00 1.35 H new ATOM 0 HG3 GLU A 89 -9.461 10.440 -6.431 1.00 1.35 H new ATOM 1485 N ARG A 90 -12.246 10.639 -7.288 1.00 1.61 N ATOM 1486 CA ARG A 90 -12.686 11.346 -8.497 1.00 1.71 C ATOM 1487 C ARG A 90 -13.865 12.308 -8.264 1.00 1.78 C ATOM 1488 O ARG A 90 -13.873 13.379 -8.869 1.00 1.83 O ATOM 1489 CB ARG A 90 -12.990 10.294 -9.582 1.00 1.78 C ATOM 1490 CG ARG A 90 -13.170 10.906 -10.977 1.00 1.89 C ATOM 1491 CD ARG A 90 -13.302 9.804 -12.034 1.00 1.97 C ATOM 1492 NE ARG A 90 -13.431 10.369 -13.391 1.00 2.08 N ATOM 1493 CZ ARG A 90 -13.366 9.705 -14.532 1.00 2.16 C ATOM 1494 NH1 ARG A 90 -13.189 8.414 -14.579 1.00 2.15 N ATOM 1495 NH2 ARG A 90 -13.479 10.335 -15.667 1.00 2.25 N ATOM 0 H ARG A 90 -12.187 9.627 -7.403 1.00 1.61 H new ATOM 0 HA ARG A 90 -11.880 12.001 -8.826 1.00 1.71 H new ATOM 0 HB2 ARG A 90 -12.179 9.567 -9.612 1.00 1.78 H new ATOM 0 HB3 ARG A 90 -13.895 9.751 -9.310 1.00 1.78 H new ATOM 0 HG2 ARG A 90 -14.057 11.539 -10.991 1.00 1.89 H new ATOM 0 HG3 ARG A 90 -12.319 11.544 -11.213 1.00 1.89 H new ATOM 0 HD2 ARG A 90 -12.430 9.152 -11.992 1.00 1.97 H new ATOM 0 HD3 ARG A 90 -14.173 9.187 -11.811 1.00 1.97 H new ATOM 0 HE ARG A 90 -13.586 11.375 -13.455 1.00 2.08 H new ATOM 0 HH11 ARG A 90 -13.095 7.880 -13.715 1.00 2.15 H new ATOM 0 HH12 ARG A 90 -13.144 7.938 -15.480 1.00 2.15 H new ATOM 0 HH21 ARG A 90 -13.618 11.345 -15.678 1.00 2.25 H new ATOM 0 HH22 ARG A 90 -13.428 9.818 -16.545 1.00 2.25 H new ATOM 1509 N PHE A 91 -14.816 12.006 -7.362 1.00 1.78 N ATOM 1510 CA PHE A 91 -15.864 12.981 -6.991 1.00 1.84 C ATOM 1511 C PHE A 91 -15.347 14.100 -6.063 1.00 1.78 C ATOM 1512 O PHE A 91 -15.838 15.226 -6.131 1.00 1.84 O ATOM 1513 CB PHE A 91 -17.131 12.301 -6.428 1.00 1.89 C ATOM 1514 CG PHE A 91 -17.045 11.656 -5.050 1.00 1.82 C ATOM 1515 CD1 PHE A 91 -16.973 12.446 -3.882 1.00 1.77 C ATOM 1516 CD2 PHE A 91 -17.093 10.254 -4.923 1.00 1.81 C ATOM 1517 CE1 PHE A 91 -16.847 11.838 -2.620 1.00 1.71 C ATOM 1518 CE2 PHE A 91 -16.955 9.649 -3.663 1.00 1.76 C ATOM 1519 CZ PHE A 91 -16.800 10.440 -2.518 1.00 1.70 C ATOM 0 H PHE A 91 -14.883 11.109 -6.881 1.00 1.78 H new ATOM 0 HA PHE A 91 -16.155 13.468 -7.922 1.00 1.84 H new ATOM 0 HB2 PHE A 91 -17.925 13.047 -6.398 1.00 1.89 H new ATOM 0 HB3 PHE A 91 -17.441 11.533 -7.137 1.00 1.89 H new ATOM 0 HD1 PHE A 91 -17.015 13.523 -3.958 1.00 1.77 H new ATOM 0 HD2 PHE A 91 -17.237 9.640 -5.800 1.00 1.81 H new ATOM 0 HE1 PHE A 91 -16.786 12.447 -1.730 1.00 1.71 H new ATOM 0 HE2 PHE A 91 -16.968 8.573 -3.577 1.00 1.76 H new ATOM 0 HZ PHE A 91 -16.644 9.974 -1.556 1.00 1.70 H new ATOM 1529 N ILE A 92 -14.321 13.828 -5.246 1.00 1.67 N ATOM 1530 CA ILE A 92 -13.747 14.840 -4.333 1.00 1.62 C ATOM 1531 C ILE A 92 -12.904 15.838 -5.137 1.00 1.64 C ATOM 1532 O ILE A 92 -12.983 17.049 -4.940 1.00 1.69 O ATOM 1533 CB ILE A 92 -12.892 14.163 -3.229 1.00 1.52 C ATOM 1534 CG1 ILE A 92 -13.697 13.075 -2.478 1.00 1.51 C ATOM 1535 CG2 ILE A 92 -12.365 15.219 -2.237 1.00 1.49 C ATOM 1536 CD1 ILE A 92 -12.899 12.268 -1.449 1.00 1.43 C ATOM 0 H ILE A 92 -13.867 12.916 -5.195 1.00 1.67 H new ATOM 0 HA ILE A 92 -14.560 15.376 -3.842 1.00 1.62 H new ATOM 0 HB ILE A 92 -12.045 13.677 -3.714 1.00 1.52 H new ATOM 0 HG12 ILE A 92 -14.536 13.551 -1.971 1.00 1.51 H new ATOM 0 HG13 ILE A 92 -14.117 12.386 -3.210 1.00 1.51 H new ATOM 0 HG21 ILE A 92 -11.767 14.730 -1.468 1.00 1.49 H new ATOM 0 HG22 ILE A 92 -11.749 15.943 -2.770 1.00 1.49 H new ATOM 0 HG23 ILE A 92 -13.206 15.732 -1.771 1.00 1.49 H new ATOM 0 HD11 ILE A 92 -13.551 11.533 -0.978 1.00 1.43 H new ATOM 0 HD12 ILE A 92 -12.076 11.756 -1.947 1.00 1.43 H new ATOM 0 HD13 ILE A 92 -12.501 12.940 -0.689 1.00 1.43 H new ATOM 1548 N LYS A 93 -12.138 15.316 -6.097 1.00 1.63 N ATOM 1549 CA LYS A 93 -11.157 16.100 -6.859 1.00 1.66 C ATOM 1550 C LYS A 93 -11.723 16.670 -8.169 1.00 1.78 C ATOM 1551 O LYS A 93 -11.046 17.433 -8.859 1.00 1.82 O ATOM 1552 CB LYS A 93 -9.961 15.162 -7.080 1.00 1.58 C ATOM 1553 CG LYS A 93 -8.650 15.890 -7.396 1.00 1.58 C ATOM 1554 CD LYS A 93 -7.454 14.968 -7.132 1.00 1.49 C ATOM 1555 CE LYS A 93 -7.445 13.745 -8.059 1.00 1.50 C ATOM 1556 NZ LYS A 93 -6.351 12.818 -7.694 1.00 1.41 N ATOM 0 H LYS A 93 -12.179 14.334 -6.371 1.00 1.63 H new ATOM 0 HA LYS A 93 -10.860 16.992 -6.308 1.00 1.66 H new ATOM 0 HB2 LYS A 93 -9.820 14.552 -6.187 1.00 1.58 H new ATOM 0 HB3 LYS A 93 -10.193 14.480 -7.898 1.00 1.58 H new ATOM 0 HG2 LYS A 93 -8.647 16.212 -8.437 1.00 1.58 H new ATOM 0 HG3 LYS A 93 -8.568 16.788 -6.784 1.00 1.58 H new ATOM 0 HD2 LYS A 93 -6.529 15.529 -7.266 1.00 1.49 H new ATOM 0 HD3 LYS A 93 -7.477 14.634 -6.095 1.00 1.49 H new ATOM 0 HE2 LYS A 93 -8.402 13.228 -7.996 1.00 1.50 H new ATOM 0 HE3 LYS A 93 -7.325 14.068 -9.093 1.00 1.50 H new ATOM 0 HZ1 LYS A 93 -6.209 12.129 -8.460 1.00 1.41 H new ATOM 0 HZ2 LYS A 93 -5.474 13.357 -7.546 1.00 1.41 H new ATOM 0 HZ3 LYS A 93 -6.600 12.315 -6.818 1.00 1.41 H new ATOM 1570 N GLY A 94 -12.976 16.323 -8.475 1.00 1.84 N ATOM 1571 CA GLY A 94 -13.669 16.795 -9.677 1.00 1.97 C ATOM 1572 C GLY A 94 -14.952 17.583 -9.389 1.00 2.05 C ATOM 1573 O GLY A 94 -15.398 18.325 -10.263 1.00 2.15 O ATOM 0 H GLY A 94 -13.541 15.704 -7.893 1.00 1.84 H new ATOM 0 HA2 GLY A 94 -12.990 17.424 -10.252 1.00 1.97 H new ATOM 0 HA3 GLY A 94 -13.915 15.937 -10.303 1.00 1.97 H new ATOM 1577 N GLU A 95 -15.531 17.473 -8.183 1.00 2.00 N ATOM 1578 CA GLU A 95 -16.810 18.120 -7.821 1.00 2.08 C ATOM 1579 C GLU A 95 -16.863 18.662 -6.375 1.00 2.02 C ATOM 1580 O GLU A 95 -17.942 18.869 -5.812 1.00 2.07 O ATOM 1581 CB GLU A 95 -17.999 17.171 -8.106 1.00 2.13 C ATOM 1582 CG GLU A 95 -18.122 16.711 -9.566 1.00 2.21 C ATOM 1583 CD GLU A 95 -19.413 15.901 -9.782 1.00 2.29 C ATOM 1584 OE1 GLU A 95 -20.470 16.501 -10.105 1.00 2.40 O ATOM 1585 OE2 GLU A 95 -19.383 14.653 -9.647 1.00 2.26 O ATOM 0 H GLU A 95 -15.124 16.929 -7.422 1.00 2.00 H new ATOM 0 HA GLU A 95 -16.889 19.001 -8.459 1.00 2.08 H new ATOM 0 HB2 GLU A 95 -17.904 16.291 -7.470 1.00 2.13 H new ATOM 0 HB3 GLU A 95 -18.923 17.673 -7.819 1.00 2.13 H new ATOM 0 HG2 GLU A 95 -18.118 17.578 -10.226 1.00 2.21 H new ATOM 0 HG3 GLU A 95 -17.258 16.103 -9.834 1.00 2.21 H new ATOM 1592 N GLU A 96 -15.703 18.937 -5.765 1.00 1.94 N ATOM 1593 CA GLU A 96 -15.608 19.573 -4.437 1.00 1.90 C ATOM 1594 C GLU A 96 -14.320 20.398 -4.210 1.00 1.87 C ATOM 1595 O GLU A 96 -14.400 21.536 -3.744 1.00 1.92 O ATOM 1596 CB GLU A 96 -15.774 18.510 -3.331 1.00 1.82 C ATOM 1597 CG GLU A 96 -15.973 19.139 -1.947 1.00 1.81 C ATOM 1598 CD GLU A 96 -16.292 18.066 -0.887 1.00 1.76 C ATOM 1599 OE1 GLU A 96 -17.489 17.750 -0.679 1.00 1.81 O ATOM 1600 OE2 GLU A 96 -15.352 17.549 -0.237 1.00 1.68 O ATOM 0 H GLU A 96 -14.795 18.724 -6.179 1.00 1.94 H new ATOM 0 HA GLU A 96 -16.423 20.296 -4.392 1.00 1.90 H new ATOM 0 HB2 GLU A 96 -16.628 17.875 -3.566 1.00 1.82 H new ATOM 0 HB3 GLU A 96 -14.894 17.867 -3.313 1.00 1.82 H new ATOM 0 HG2 GLU A 96 -15.073 19.682 -1.659 1.00 1.81 H new ATOM 0 HG3 GLU A 96 -16.784 19.866 -1.988 1.00 1.81 H new ATOM 1607 N ASP A 97 -13.159 19.825 -4.526 1.00 1.80 N ATOM 1608 CA ASP A 97 -11.888 20.524 -4.317 1.00 1.78 C ATOM 1609 C ASP A 97 -10.717 19.731 -4.895 1.00 1.87 C ATOM 1610 O ASP A 97 -10.908 18.785 -5.651 1.00 2.33 O ATOM 1611 CB ASP A 97 -11.670 20.757 -2.815 1.00 1.78 C ATOM 1612 CG ASP A 97 -10.957 22.063 -2.521 1.00 2.14 C ATOM 1613 OD1 ASP A 97 -11.578 23.132 -2.706 1.00 2.70 O ATOM 1614 OD2 ASP A 97 -9.778 22.018 -2.112 1.00 2.20 O ATOM 0 H ASP A 97 -13.070 18.890 -4.923 1.00 1.80 H new ATOM 0 HA ASP A 97 -11.935 21.482 -4.836 1.00 1.78 H new ATOM 0 HB2 ASP A 97 -12.635 20.753 -2.307 1.00 1.78 H new ATOM 0 HB3 ASP A 97 -11.090 19.931 -2.404 1.00 1.78 H new ATOM 1619 N LYS A 98 -9.502 20.141 -4.537 1.00 1.90 N ATOM 1620 CA LYS A 98 -8.288 19.474 -4.998 1.00 2.13 C ATOM 1621 C LYS A 98 -7.232 19.457 -3.895 1.00 2.94 C ATOM 1622 O LYS A 98 -7.129 20.405 -3.115 1.00 3.42 O ATOM 1623 CB LYS A 98 -7.732 20.173 -6.245 1.00 2.05 C ATOM 1624 CG LYS A 98 -8.409 19.734 -7.533 1.00 2.30 C ATOM 1625 CD LYS A 98 -7.770 20.368 -8.757 1.00 2.83 C ATOM 1626 CE LYS A 98 -8.397 19.840 -10.038 1.00 3.09 C ATOM 1627 NZ LYS A 98 -8.149 18.382 -10.219 1.00 3.68 N ATOM 0 H LYS A 98 -9.332 20.939 -3.924 1.00 1.90 H new ATOM 0 HA LYS A 98 -8.542 18.446 -5.255 1.00 2.13 H new ATOM 0 HB2 LYS A 98 -7.848 21.251 -6.131 1.00 2.05 H new ATOM 0 HB3 LYS A 98 -6.663 19.974 -6.318 1.00 2.05 H new ATOM 0 HG2 LYS A 98 -8.357 18.649 -7.618 1.00 2.30 H new ATOM 0 HG3 LYS A 98 -9.465 20.001 -7.496 1.00 2.30 H new ATOM 0 HD2 LYS A 98 -7.886 21.451 -8.712 1.00 2.83 H new ATOM 0 HD3 LYS A 98 -6.700 20.161 -8.760 1.00 2.83 H new ATOM 0 HE2 LYS A 98 -9.471 20.026 -10.020 1.00 3.09 H new ATOM 0 HE3 LYS A 98 -7.993 20.385 -10.891 1.00 3.09 H new ATOM 0 HZ1 LYS A 98 -8.045 18.171 -11.232 1.00 3.68 H new ATOM 0 HZ2 LYS A 98 -7.278 18.113 -9.718 1.00 3.68 H new ATOM 0 HZ3 LYS A 98 -8.951 17.843 -9.834 1.00 3.68 H new ATOM 1641 N PRO A 99 -6.436 18.371 -3.808 1.00 3.57 N ATOM 1642 CA PRO A 99 -5.383 18.243 -2.793 1.00 4.60 C ATOM 1643 C PRO A 99 -4.147 19.085 -3.121 1.00 4.87 C ATOM 1644 O PRO A 99 -3.240 19.219 -2.300 1.00 5.78 O ATOM 1645 CB PRO A 99 -5.049 16.751 -2.833 1.00 5.30 C ATOM 1646 CG PRO A 99 -5.315 16.356 -4.243 1.00 4.88 C ATOM 1647 CD PRO A 99 -6.503 17.178 -4.679 1.00 3.76 C ATOM 0 HA PRO A 99 -5.707 18.598 -1.815 1.00 4.60 H new ATOM 0 HB2 PRO A 99 -4.011 16.568 -2.557 1.00 5.30 H new ATOM 0 HB3 PRO A 99 -5.668 16.185 -2.137 1.00 5.30 H new ATOM 0 HG2 PRO A 99 -4.449 16.553 -4.875 1.00 4.88 H new ATOM 0 HG3 PRO A 99 -5.528 15.290 -4.318 1.00 4.88 H new ATOM 0 HD2 PRO A 99 -6.440 17.447 -5.733 1.00 3.76 H new ATOM 0 HD3 PRO A 99 -7.438 16.635 -4.544 1.00 3.76 H new ATOM 1655 N LEU A 100 -4.123 19.646 -4.329 1.00 4.16 N ATOM 1656 CA LEU A 100 -3.012 20.478 -4.771 1.00 4.45 C ATOM 1657 C LEU A 100 -3.421 21.951 -4.804 1.00 4.49 C ATOM 1658 O LEU A 100 -4.476 22.299 -5.335 1.00 4.18 O ATOM 1659 CB LEU A 100 -2.529 20.027 -6.159 1.00 4.19 C ATOM 1660 CG LEU A 100 -3.592 20.041 -7.266 1.00 4.60 C ATOM 1661 CD1 LEU A 100 -3.089 20.787 -8.492 1.00 4.86 C ATOM 1662 CD2 LEU A 100 -3.995 18.622 -7.637 1.00 4.95 C ATOM 0 H LEU A 100 -4.865 19.537 -5.020 1.00 4.16 H new ATOM 0 HA LEU A 100 -2.193 20.365 -4.061 1.00 4.45 H new ATOM 0 HB2 LEU A 100 -1.704 20.670 -6.464 1.00 4.19 H new ATOM 0 HB3 LEU A 100 -2.131 19.016 -6.075 1.00 4.19 H new ATOM 0 HG LEU A 100 -4.470 20.563 -6.885 1.00 4.60 H new ATOM 0 HD11 LEU A 100 -3.860 20.783 -9.262 1.00 4.86 H new ATOM 0 HD12 LEU A 100 -2.853 21.816 -8.220 1.00 4.86 H new ATOM 0 HD13 LEU A 100 -2.193 20.298 -8.873 1.00 4.86 H new ATOM 0 HD21 LEU A 100 -4.749 18.652 -8.423 1.00 4.95 H new ATOM 0 HD22 LEU A 100 -3.121 18.077 -7.993 1.00 4.95 H new ATOM 0 HD23 LEU A 100 -4.404 18.119 -6.761 1.00 4.95 H new ATOM 1674 N PRO A 101 -2.597 22.836 -4.211 1.00 5.19 N ATOM 1675 CA PRO A 101 -2.873 24.276 -4.181 1.00 5.67 C ATOM 1676 C PRO A 101 -2.599 24.955 -5.526 1.00 5.64 C ATOM 1677 O PRO A 101 -1.844 24.436 -6.350 1.00 5.32 O ATOM 1678 CB PRO A 101 -1.912 24.790 -3.109 1.00 6.54 C ATOM 1679 CG PRO A 101 -0.765 23.840 -3.144 1.00 6.50 C ATOM 1680 CD PRO A 101 -1.344 22.498 -3.505 1.00 5.81 C ATOM 0 HA PRO A 101 -3.922 24.489 -3.973 1.00 5.67 H new ATOM 0 HB2 PRO A 101 -1.589 25.809 -3.322 1.00 6.54 H new ATOM 0 HB3 PRO A 101 -2.385 24.804 -2.127 1.00 6.54 H new ATOM 0 HG2 PRO A 101 -0.022 24.154 -3.877 1.00 6.50 H new ATOM 0 HG3 PRO A 101 -0.262 23.800 -2.178 1.00 6.50 H new ATOM 0 HD2 PRO A 101 -0.667 21.928 -4.141 1.00 5.81 H new ATOM 0 HD3 PRO A 101 -1.534 21.892 -2.619 1.00 5.81 H new ATOM 1688 N PRO A 102 -3.221 26.130 -5.763 1.00 6.15 N ATOM 1689 CA PRO A 102 -3.049 26.888 -7.013 1.00 6.45 C ATOM 1690 C PRO A 102 -1.659 27.515 -7.164 1.00 6.96 C ATOM 1691 O PRO A 102 -1.330 28.049 -8.226 1.00 7.31 O ATOM 1692 CB PRO A 102 -4.115 27.982 -6.914 1.00 7.14 C ATOM 1693 CG PRO A 102 -4.358 28.154 -5.453 1.00 7.42 C ATOM 1694 CD PRO A 102 -4.159 26.797 -4.838 1.00 6.66 C ATOM 0 HA PRO A 102 -3.149 26.239 -7.883 1.00 6.45 H new ATOM 0 HB2 PRO A 102 -3.771 28.911 -7.369 1.00 7.14 H new ATOM 0 HB3 PRO A 102 -5.028 27.692 -7.434 1.00 7.14 H new ATOM 0 HG2 PRO A 102 -3.668 28.881 -5.026 1.00 7.42 H new ATOM 0 HG3 PRO A 102 -5.366 28.523 -5.266 1.00 7.42 H new ATOM 0 HD2 PRO A 102 -3.746 26.870 -3.832 1.00 6.66 H new ATOM 0 HD3 PRO A 102 -5.099 26.251 -4.758 1.00 6.66 H new ATOM 1702 N ILE A 103 -0.847 27.454 -6.109 1.00 7.14 N ATOM 1703 CA ILE A 103 0.499 28.022 -6.153 1.00 7.71 C ATOM 1704 C ILE A 103 1.514 27.017 -6.713 1.00 7.31 C ATOM 1705 O ILE A 103 2.230 27.329 -7.670 1.00 7.64 O ATOM 1706 CB ILE A 103 0.960 28.535 -4.759 1.00 8.28 C ATOM 1707 CG1 ILE A 103 2.461 28.851 -4.761 1.00 9.04 C ATOM 1708 CG2 ILE A 103 0.623 27.531 -3.663 1.00 8.23 C ATOM 1709 CD1 ILE A 103 2.945 29.512 -3.487 1.00 9.66 C ATOM 0 H ILE A 103 -1.096 27.020 -5.220 1.00 7.14 H new ATOM 0 HA ILE A 103 0.455 28.878 -6.826 1.00 7.71 H new ATOM 0 HB ILE A 103 0.417 29.457 -4.549 1.00 8.28 H new ATOM 0 HG12 ILE A 103 3.018 27.927 -4.915 1.00 9.04 H new ATOM 0 HG13 ILE A 103 2.685 29.502 -5.606 1.00 9.04 H new ATOM 0 HG21 ILE A 103 0.957 27.917 -2.700 1.00 8.23 H new ATOM 0 HG22 ILE A 103 -0.455 27.371 -3.635 1.00 8.23 H new ATOM 0 HG23 ILE A 103 1.125 26.586 -3.869 1.00 8.23 H new ATOM 0 HD11 ILE A 103 4.015 29.705 -3.561 1.00 9.66 H new ATOM 0 HD12 ILE A 103 2.415 30.454 -3.342 1.00 9.66 H new ATOM 0 HD13 ILE A 103 2.753 28.853 -2.640 1.00 9.66 H new ATOM 1721 N LYS A 104 1.556 25.812 -6.139 1.00 6.73 N ATOM 1722 CA LYS A 104 2.493 24.783 -6.587 1.00 6.37 C ATOM 1723 C LYS A 104 2.197 23.434 -5.930 1.00 5.89 C ATOM 1724 O LYS A 104 2.182 23.325 -4.703 1.00 5.68 O ATOM 1725 CB LYS A 104 3.932 25.200 -6.262 1.00 6.44 C ATOM 1726 CG LYS A 104 4.982 24.425 -7.040 1.00 6.74 C ATOM 1727 CD LYS A 104 5.008 24.838 -8.504 1.00 7.08 C ATOM 1728 CE LYS A 104 6.005 24.011 -9.299 1.00 7.57 C ATOM 1729 NZ LYS A 104 5.595 22.582 -9.389 1.00 8.00 N ATOM 0 H LYS A 104 0.954 25.527 -5.366 1.00 6.73 H new ATOM 0 HA LYS A 104 2.374 24.676 -7.665 1.00 6.37 H new ATOM 0 HB2 LYS A 104 4.049 26.263 -6.471 1.00 6.44 H new ATOM 0 HB3 LYS A 104 4.108 25.063 -5.195 1.00 6.44 H new ATOM 0 HG2 LYS A 104 5.963 24.593 -6.596 1.00 6.74 H new ATOM 0 HG3 LYS A 104 4.777 23.357 -6.966 1.00 6.74 H new ATOM 0 HD2 LYS A 104 4.013 24.722 -8.934 1.00 7.08 H new ATOM 0 HD3 LYS A 104 5.267 25.894 -8.581 1.00 7.08 H new ATOM 0 HE2 LYS A 104 6.101 24.425 -10.303 1.00 7.57 H new ATOM 0 HE3 LYS A 104 6.987 24.078 -8.831 1.00 7.57 H new ATOM 0 HZ1 LYS A 104 6.274 22.063 -9.981 1.00 8.00 H new ATOM 0 HZ2 LYS A 104 5.577 22.165 -8.436 1.00 8.00 H new ATOM 0 HZ3 LYS A 104 4.647 22.519 -9.812 1.00 8.00 H new ATOM 1743 N PRO A 105 1.956 22.386 -6.743 1.00 5.95 N ATOM 1744 CA PRO A 105 1.674 21.036 -6.235 1.00 5.79 C ATOM 1745 C PRO A 105 2.920 20.333 -5.691 1.00 5.46 C ATOM 1746 O PRO A 105 2.821 19.455 -4.834 1.00 5.28 O ATOM 1747 CB PRO A 105 1.143 20.300 -7.467 1.00 6.33 C ATOM 1748 CG PRO A 105 1.773 20.997 -8.623 1.00 6.61 C ATOM 1749 CD PRO A 105 1.913 22.441 -8.218 1.00 6.47 C ATOM 0 HA PRO A 105 0.979 21.059 -5.396 1.00 5.79 H new ATOM 0 HB2 PRO A 105 1.414 19.244 -7.445 1.00 6.33 H new ATOM 0 HB3 PRO A 105 0.055 20.349 -7.520 1.00 6.33 H new ATOM 0 HG2 PRO A 105 2.745 20.562 -8.857 1.00 6.61 H new ATOM 0 HG3 PRO A 105 1.158 20.902 -9.518 1.00 6.61 H new ATOM 0 HD2 PRO A 105 2.819 22.887 -8.629 1.00 6.47 H new ATOM 0 HD3 PRO A 105 1.074 23.040 -8.572 1.00 6.47 H new ATOM 1757 N ARG A 106 4.092 20.720 -6.196 1.00 5.56 N ATOM 1758 CA ARG A 106 5.353 20.125 -5.761 1.00 5.43 C ATOM 1759 C ARG A 106 5.951 20.916 -4.598 1.00 5.72 C ATOM 1760 O ARG A 106 5.599 22.077 -4.379 1.00 6.01 O ATOM 1761 CB ARG A 106 6.346 20.074 -6.929 1.00 5.69 C ATOM 1762 CG ARG A 106 7.529 19.144 -6.696 1.00 6.20 C ATOM 1763 CD ARG A 106 8.555 19.250 -7.814 1.00 6.57 C ATOM 1764 NE ARG A 106 9.734 18.424 -7.557 1.00 6.84 N ATOM 1765 CZ ARG A 106 10.907 18.593 -8.165 1.00 7.39 C ATOM 1766 NH1 ARG A 106 11.069 19.571 -9.049 1.00 7.71 N ATOM 1767 NH2 ARG A 106 11.921 17.786 -7.885 1.00 7.84 N ATOM 0 H ARG A 106 4.193 21.444 -6.907 1.00 5.56 H new ATOM 0 HA ARG A 106 5.153 19.109 -5.421 1.00 5.43 H new ATOM 0 HB2 ARG A 106 5.818 19.755 -7.828 1.00 5.69 H new ATOM 0 HB3 ARG A 106 6.720 21.080 -7.119 1.00 5.69 H new ATOM 0 HG2 ARG A 106 8.001 19.387 -5.744 1.00 6.20 H new ATOM 0 HG3 ARG A 106 7.175 18.116 -6.623 1.00 6.20 H new ATOM 0 HD2 ARG A 106 8.098 18.946 -8.755 1.00 6.57 H new ATOM 0 HD3 ARG A 106 8.859 20.290 -7.929 1.00 6.57 H new ATOM 0 HE ARG A 106 9.653 17.673 -6.871 1.00 6.84 H new ATOM 0 HH11 ARG A 106 10.293 20.197 -9.265 1.00 7.71 H new ATOM 0 HH12 ARG A 106 11.969 19.696 -9.512 1.00 7.71 H new ATOM 0 HH21 ARG A 106 11.803 17.036 -7.204 1.00 7.84 H new ATOM 0 HH22 ARG A 106 12.819 17.915 -8.351 1.00 7.84 H new ATOM 1781 N LYS A 107 6.853 20.276 -3.855 1.00 5.92 N ATOM 1782 CA LYS A 107 7.504 20.911 -2.714 1.00 6.42 C ATOM 1783 C LYS A 107 8.482 21.990 -3.172 1.00 6.87 C ATOM 1784 O LYS A 107 9.581 21.629 -3.644 1.00 7.06 O ATOM 1785 CB LYS A 107 8.246 19.867 -1.875 1.00 6.74 C ATOM 1786 CG LYS A 107 7.391 18.674 -1.485 1.00 7.12 C ATOM 1787 CD LYS A 107 8.188 17.664 -0.671 1.00 7.73 C ATOM 1788 CE LYS A 107 7.389 16.396 -0.415 1.00 8.18 C ATOM 1789 NZ LYS A 107 7.112 15.651 -1.672 1.00 8.47 N ATOM 1790 OXT LYS A 107 8.142 23.186 -3.049 1.00 7.27 O ATOM 0 H LYS A 107 7.149 19.315 -4.025 1.00 5.92 H new ATOM 0 HA LYS A 107 6.730 21.379 -2.105 1.00 6.42 H new ATOM 0 HB2 LYS A 107 9.112 19.514 -2.434 1.00 6.74 H new ATOM 0 HB3 LYS A 107 8.623 20.343 -0.970 1.00 6.74 H new ATOM 0 HG2 LYS A 107 6.532 19.013 -0.907 1.00 7.12 H new ATOM 0 HG3 LYS A 107 7.001 18.194 -2.383 1.00 7.12 H new ATOM 0 HD2 LYS A 107 9.108 17.415 -1.200 1.00 7.73 H new ATOM 0 HD3 LYS A 107 8.478 18.110 0.280 1.00 7.73 H new ATOM 0 HE2 LYS A 107 7.938 15.754 0.274 1.00 8.18 H new ATOM 0 HE3 LYS A 107 6.447 16.652 0.070 1.00 8.18 H new ATOM 0 HZ1 LYS A 107 7.097 14.630 -1.474 1.00 8.47 H new ATOM 0 HZ2 LYS A 107 6.189 15.943 -2.053 1.00 8.47 H new ATOM 0 HZ3 LYS A 107 7.855 15.858 -2.369 1.00 8.47 H new TER 1804 LYS A 107 ATOM 1805 OP3 DT B 1 -6.645 -30.136 -3.923 1.00 2.61 O ATOM 1806 P DT B 1 -5.829 -28.776 -4.080 1.00 2.20 P ATOM 1807 OP1 DT B 1 -5.986 -27.990 -2.829 1.00 2.80 O ATOM 1808 OP2 DT B 1 -4.468 -29.116 -4.565 1.00 2.56 O ATOM 1809 O5' DT B 1 -6.598 -27.988 -5.233 1.00 2.08 O ATOM 1810 C5' DT B 1 -7.292 -28.680 -6.271 1.00 2.25 C ATOM 1811 C4' DT B 1 -7.731 -27.713 -7.347 1.00 2.22 C ATOM 1812 O4' DT B 1 -8.859 -26.950 -6.831 1.00 2.06 O ATOM 1813 C3' DT B 1 -6.648 -26.677 -7.652 1.00 2.18 C ATOM 1814 O3' DT B 1 -6.767 -26.052 -8.946 1.00 2.29 O ATOM 1815 C2' DT B 1 -6.922 -25.600 -6.616 1.00 1.96 C ATOM 1816 C1' DT B 1 -8.437 -25.628 -6.545 1.00 1.91 C ATOM 1817 N1 DT B 1 -9.032 -25.155 -5.270 1.00 1.72 N ATOM 1818 C2 DT B 1 -9.774 -23.996 -5.376 1.00 1.61 C ATOM 1819 O2 DT B 1 -9.981 -23.431 -6.435 1.00 1.71 O ATOM 1820 N3 DT B 1 -10.261 -23.520 -4.196 1.00 1.49 N ATOM 1821 C4 DT B 1 -10.106 -24.063 -2.944 1.00 1.49 C ATOM 1822 O4 DT B 1 -10.550 -23.460 -1.963 1.00 1.48 O ATOM 1823 C5 DT B 1 -9.340 -25.302 -2.904 1.00 1.64 C ATOM 1824 C7 DT B 1 -9.112 -25.963 -1.581 1.00 1.78 C ATOM 1825 C6 DT B 1 -8.850 -25.787 -4.060 1.00 1.74 C ATOM 0 H5' DT B 1 -8.161 -29.193 -5.857 1.00 2.25 H new ATOM 0 H5'' DT B 1 -6.646 -29.445 -6.702 1.00 2.25 H new ATOM 0 H4' DT B 1 -7.962 -28.292 -8.241 1.00 2.22 H new ATOM 0 H3' DT B 1 -5.665 -27.148 -7.636 1.00 2.18 H new ATOM 0 H2' DT B 1 -6.462 -25.829 -5.655 1.00 1.96 H new ATOM 0 H2'' DT B 1 -6.544 -24.626 -6.927 1.00 1.96 H new ATOM 0 H1' DT B 1 -8.799 -24.910 -7.281 1.00 1.91 H new ATOM 0 H3 DT B 1 -10.805 -22.659 -4.249 1.00 1.49 H new ATOM 0 H71 DT B 1 -9.031 -27.041 -1.722 1.00 1.78 H new ATOM 0 H72 DT B 1 -8.190 -25.584 -1.139 1.00 1.78 H new ATOM 0 H73 DT B 1 -9.949 -25.746 -0.917 1.00 1.78 H new ATOM 0 H6 DT B 1 -8.291 -26.711 -4.038 1.00 1.74 H new ATOM 1839 P DA B 2 -5.709 -24.884 -9.355 1.00 2.27 P ATOM 1840 OP1 DA B 2 -5.560 -24.679 -10.811 1.00 2.47 O ATOM 1841 OP2 DA B 2 -4.467 -25.211 -8.613 1.00 2.19 O ATOM 1842 O5' DA B 2 -6.401 -23.611 -8.693 1.00 2.12 O ATOM 1843 C5' DA B 2 -7.797 -23.343 -8.982 1.00 2.18 C ATOM 1844 C4' DA B 2 -8.035 -21.852 -9.022 1.00 2.16 C ATOM 1845 O4' DA B 2 -8.178 -21.365 -7.650 1.00 1.98 O ATOM 1846 C3' DA B 2 -6.912 -21.000 -9.608 1.00 2.19 C ATOM 1847 O3' DA B 2 -7.385 -19.749 -10.100 1.00 2.28 O ATOM 1848 C2' DA B 2 -6.009 -20.758 -8.410 1.00 1.97 C ATOM 1849 C1' DA B 2 -7.015 -20.654 -7.271 1.00 1.86 C ATOM 1850 N9 DA B 2 -6.529 -21.229 -5.987 1.00 1.69 N ATOM 1851 C8 DA B 2 -5.761 -22.346 -5.795 1.00 1.68 C ATOM 1852 N7 DA B 2 -5.506 -22.592 -4.546 1.00 1.57 N ATOM 1853 C5 DA B 2 -6.134 -21.562 -3.868 1.00 1.48 C ATOM 1854 C6 DA B 2 -6.241 -21.251 -2.497 1.00 1.40 C ATOM 1855 N6 DA B 2 -5.672 -21.989 -1.532 1.00 1.38 N ATOM 1856 N1 DA B 2 -6.949 -20.159 -2.164 1.00 1.40 N ATOM 1857 C2 DA B 2 -7.506 -19.436 -3.131 1.00 1.49 C ATOM 1858 N3 DA B 2 -7.488 -19.621 -4.431 1.00 1.58 N ATOM 1859 C4 DA B 2 -6.774 -20.722 -4.735 1.00 1.56 C ATOM 0 H5' DA B 2 -8.430 -23.801 -8.222 1.00 2.18 H new ATOM 0 H5'' DA B 2 -8.072 -23.790 -9.937 1.00 2.18 H new ATOM 0 H4' DA B 2 -8.911 -21.746 -9.662 1.00 2.16 H new ATOM 0 H3' DA B 2 -6.428 -21.490 -10.453 1.00 2.19 H new ATOM 0 H2' DA B 2 -5.304 -21.576 -8.259 1.00 1.97 H new ATOM 0 H2'' DA B 2 -5.421 -19.847 -8.520 1.00 1.97 H new ATOM 0 H1' DA B 2 -7.198 -19.593 -7.101 1.00 1.86 H new ATOM 0 H8 DA B 2 -5.402 -22.963 -6.605 1.00 1.68 H new ATOM 0 H61 DA B 2 -5.780 -21.720 -0.554 1.00 1.38 H new ATOM 0 H62 DA B 2 -5.132 -22.819 -1.776 1.00 1.38 H new ATOM 0 H2 DA B 2 -8.055 -18.568 -2.798 1.00 1.49 H new ATOM 1871 P DC B 3 -6.382 -18.512 -10.188 1.00 2.25 P ATOM 1872 OP1 DC B 3 -6.756 -17.647 -11.323 1.00 2.46 O ATOM 1873 OP2 DC B 3 -4.987 -19.015 -10.188 1.00 2.18 O ATOM 1874 O5' DC B 3 -6.677 -17.766 -8.810 1.00 2.07 O ATOM 1875 C5' DC B 3 -8.055 -17.539 -8.420 1.00 2.12 C ATOM 1876 C4' DC B 3 -8.167 -16.231 -7.671 1.00 2.08 C ATOM 1877 O4' DC B 3 -7.757 -16.450 -6.285 1.00 1.87 O ATOM 1878 C3' DC B 3 -7.268 -15.096 -8.155 1.00 2.12 C ATOM 1879 O3' DC B 3 -7.780 -13.814 -7.801 1.00 2.20 O ATOM 1880 C2' DC B 3 -5.972 -15.342 -7.396 1.00 1.90 C ATOM 1881 C1' DC B 3 -6.483 -15.879 -6.065 1.00 1.76 C ATOM 1882 N1 DC B 3 -5.612 -16.927 -5.469 1.00 1.58 N ATOM 1883 C2 DC B 3 -5.449 -16.928 -4.086 1.00 1.43 C ATOM 1884 O2 DC B 3 -6.024 -16.063 -3.413 1.00 1.46 O ATOM 1885 N3 DC B 3 -4.657 -17.876 -3.522 1.00 1.31 N ATOM 1886 C4 DC B 3 -4.047 -18.798 -4.277 1.00 1.34 C ATOM 1887 N4 DC B 3 -3.291 -19.702 -3.676 1.00 1.29 N ATOM 1888 C5 DC B 3 -4.195 -18.814 -5.699 1.00 1.50 C ATOM 1889 C6 DC B 3 -4.996 -17.857 -6.243 1.00 1.61 C ATOM 0 H5' DC B 3 -8.405 -18.359 -7.793 1.00 2.12 H new ATOM 0 H5'' DC B 3 -8.694 -17.519 -9.303 1.00 2.12 H new ATOM 0 H4' DC B 3 -9.205 -15.932 -7.820 1.00 2.08 H new ATOM 0 H3' DC B 3 -7.169 -15.090 -9.241 1.00 2.12 H new ATOM 0 H2' DC B 3 -5.330 -16.060 -7.906 1.00 1.90 H new ATOM 0 H2'' DC B 3 -5.392 -14.428 -7.272 1.00 1.90 H new ATOM 0 H1' DC B 3 -6.505 -15.041 -5.368 1.00 1.76 H new ATOM 0 H41 DC B 3 -2.815 -20.416 -4.227 1.00 1.29 H new ATOM 0 H42 DC B 3 -3.185 -19.685 -2.662 1.00 1.29 H new ATOM 0 H5 DC B 3 -3.696 -19.550 -6.312 1.00 1.50 H new ATOM 0 H6 DC B 3 -5.145 -17.837 -7.313 1.00 1.61 H new ATOM 1901 P DA B 4 -6.780 -12.581 -7.657 1.00 2.17 P ATOM 1902 OP1 DA B 4 -7.469 -11.332 -8.038 1.00 2.39 O ATOM 1903 OP2 DA B 4 -5.527 -12.882 -8.391 1.00 2.13 O ATOM 1904 O5' DA B 4 -6.490 -12.588 -6.090 1.00 1.97 O ATOM 1905 C5' DA B 4 -7.606 -12.709 -5.174 1.00 2.00 C ATOM 1906 C4' DA B 4 -7.328 -11.913 -3.920 1.00 1.94 C ATOM 1907 O4' DA B 4 -6.461 -12.703 -3.046 1.00 1.72 O ATOM 1908 C3' DA B 4 -6.576 -10.598 -4.105 1.00 1.99 C ATOM 1909 O3' DA B 4 -6.818 -9.682 -3.038 1.00 2.06 O ATOM 1910 C2' DA B 4 -5.119 -11.032 -4.072 1.00 1.77 C ATOM 1911 C1' DA B 4 -5.152 -12.171 -3.060 1.00 1.61 C ATOM 1912 N9 DA B 4 -4.213 -13.283 -3.379 1.00 1.44 N ATOM 1913 C8 DA B 4 -3.890 -13.793 -4.607 1.00 1.47 C ATOM 1914 N7 DA B 4 -3.037 -14.771 -4.555 1.00 1.33 N ATOM 1915 C5 DA B 4 -2.771 -14.907 -3.204 1.00 1.19 C ATOM 1916 C6 DA B 4 -1.934 -15.783 -2.482 1.00 1.06 C ATOM 1917 N6 DA B 4 -1.174 -16.723 -3.070 1.00 1.05 N ATOM 1918 N1 DA B 4 -1.910 -15.655 -1.147 1.00 1.02 N ATOM 1919 C2 DA B 4 -2.664 -14.721 -0.577 1.00 1.11 C ATOM 1920 N3 DA B 4 -3.482 -13.853 -1.130 1.00 1.24 N ATOM 1921 C4 DA B 4 -3.488 -14.007 -2.468 1.00 1.26 C ATOM 0 H5' DA B 4 -7.769 -13.757 -4.922 1.00 2.00 H new ATOM 0 H5'' DA B 4 -8.519 -12.349 -5.649 1.00 2.00 H new ATOM 0 H4' DA B 4 -8.321 -11.687 -3.531 1.00 1.94 H new ATOM 0 H3' DA B 4 -6.879 -10.081 -5.016 1.00 1.99 H new ATOM 0 H2' DA B 4 -4.770 -11.364 -5.050 1.00 1.77 H new ATOM 0 H2'' DA B 4 -4.459 -10.224 -3.756 1.00 1.77 H new ATOM 0 H1' DA B 4 -4.848 -11.756 -2.099 1.00 1.61 H new ATOM 0 H8 DA B 4 -4.305 -13.418 -5.531 1.00 1.47 H new ATOM 0 H61 DA B 4 -0.585 -17.332 -2.502 1.00 1.05 H new ATOM 0 H62 DA B 4 -1.186 -16.827 -4.085 1.00 1.05 H new ATOM 0 H2 DA B 4 -2.595 -14.667 0.499 1.00 1.11 H new ATOM 1933 P DA B 5 -5.734 -8.561 -2.710 1.00 2.04 P ATOM 1934 OP1 DA B 5 -6.408 -7.354 -2.191 1.00 2.25 O ATOM 1935 OP2 DA B 5 -4.863 -8.359 -3.893 1.00 2.01 O ATOM 1936 O5' DA B 5 -4.894 -9.260 -1.548 1.00 1.83 O ATOM 1937 C5' DA B 5 -5.606 -9.904 -0.463 1.00 1.84 C ATOM 1938 C4' DA B 5 -4.826 -9.751 0.824 1.00 1.79 C ATOM 1939 O4' DA B 5 -3.770 -10.763 0.851 1.00 1.56 O ATOM 1940 C3' DA B 5 -4.087 -8.428 1.014 1.00 1.85 C ATOM 1941 O3' DA B 5 -3.846 -8.141 2.389 1.00 1.93 O ATOM 1942 C2' DA B 5 -2.760 -8.679 0.316 1.00 1.64 C ATOM 1943 C1' DA B 5 -2.515 -10.153 0.615 1.00 1.47 C ATOM 1944 N9 DA B 5 -1.854 -10.887 -0.495 1.00 1.29 N ATOM 1945 C8 DA B 5 -2.043 -10.740 -1.842 1.00 1.33 C ATOM 1946 N7 DA B 5 -1.314 -11.540 -2.561 1.00 1.20 N ATOM 1947 C5 DA B 5 -0.585 -12.253 -1.628 1.00 1.03 C ATOM 1948 C6 DA B 5 0.380 -13.274 -1.753 1.00 0.89 C ATOM 1949 N6 DA B 5 0.792 -13.752 -2.939 1.00 0.91 N ATOM 1950 N1 DA B 5 0.900 -13.775 -0.622 1.00 0.84 N ATOM 1951 C2 DA B 5 0.486 -13.292 0.546 1.00 0.93 C ATOM 1952 N3 DA B 5 -0.403 -12.354 0.794 1.00 1.07 N ATOM 1953 C4 DA B 5 -0.908 -11.875 -0.357 1.00 1.10 C ATOM 0 H5' DA B 5 -5.751 -10.961 -0.688 1.00 1.84 H new ATOM 0 H5'' DA B 5 -6.597 -9.463 -0.353 1.00 1.84 H new ATOM 0 H4' DA B 5 -5.585 -9.832 1.602 1.00 1.79 H new ATOM 0 H3' DA B 5 -4.655 -7.583 0.626 1.00 1.85 H new ATOM 0 H2' DA B 5 -2.820 -8.485 -0.755 1.00 1.64 H new ATOM 0 H2'' DA B 5 -1.966 -8.046 0.711 1.00 1.64 H new ATOM 0 H1' DA B 5 -1.847 -10.200 1.475 1.00 1.47 H new ATOM 0 H8 DA B 5 -2.733 -10.026 -2.268 1.00 1.33 H new ATOM 0 H61 DA B 5 1.493 -14.492 -2.975 1.00 0.91 H new ATOM 0 H62 DA B 5 0.404 -13.375 -3.804 1.00 0.91 H new ATOM 0 H2 DA B 5 0.946 -13.734 1.417 1.00 0.93 H new ATOM 1965 P DT B 6 -2.627 -7.191 2.788 1.00 1.92 P ATOM 1966 OP1 DT B 6 -2.963 -6.437 4.012 1.00 2.14 O ATOM 1967 OP2 DT B 6 -2.237 -6.379 1.611 1.00 1.89 O ATOM 1968 O5' DT B 6 -1.483 -8.257 3.101 1.00 1.71 O ATOM 1969 C5' DT B 6 -1.802 -9.399 3.936 1.00 1.72 C ATOM 1970 C4' DT B 6 -0.596 -9.776 4.766 1.00 1.68 C ATOM 1971 O4' DT B 6 0.308 -10.574 3.937 1.00 1.45 O ATOM 1972 C3' DT B 6 0.269 -8.624 5.269 1.00 1.76 C ATOM 1973 O3' DT B 6 1.017 -8.979 6.430 1.00 1.86 O ATOM 1974 C2' DT B 6 1.225 -8.387 4.112 1.00 1.55 C ATOM 1975 C1' DT B 6 1.437 -9.799 3.581 1.00 1.36 C ATOM 1976 N1 DT B 6 1.586 -9.868 2.103 1.00 1.16 N ATOM 1977 C2 DT B 6 2.496 -10.775 1.601 1.00 0.98 C ATOM 1978 O2 DT B 6 3.163 -11.502 2.314 1.00 0.99 O ATOM 1979 N3 DT B 6 2.599 -10.806 0.224 1.00 0.85 N ATOM 1980 C4 DT B 6 1.898 -10.031 -0.671 1.00 0.93 C ATOM 1981 O4 DT B 6 2.078 -10.149 -1.888 1.00 0.91 O ATOM 1982 C5 DT B 6 0.974 -9.108 -0.056 1.00 1.14 C ATOM 1983 C7 DT B 6 0.180 -8.249 -0.992 1.00 1.31 C ATOM 1984 C6 DT B 6 0.840 -9.055 1.284 1.00 1.23 C ATOM 0 H5' DT B 6 -2.106 -10.242 3.315 1.00 1.72 H new ATOM 0 H5'' DT B 6 -2.644 -9.162 4.587 1.00 1.72 H new ATOM 0 H4' DT B 6 -1.022 -10.282 5.632 1.00 1.68 H new ATOM 0 H3' DT B 6 -0.330 -7.758 5.552 1.00 1.76 H new ATOM 0 H2' DT B 6 0.796 -7.728 3.357 1.00 1.55 H new ATOM 0 H2'' DT B 6 2.159 -7.931 4.441 1.00 1.55 H new ATOM 0 H1' DT B 6 2.365 -10.168 4.018 1.00 1.36 H new ATOM 0 H3 DT B 6 3.263 -11.472 -0.170 1.00 0.85 H new ATOM 0 H71 DT B 6 -0.784 -8.015 -0.541 1.00 1.31 H new ATOM 0 H72 DT B 6 0.724 -7.325 -1.187 1.00 1.31 H new ATOM 0 H73 DT B 6 0.022 -8.782 -1.930 1.00 1.31 H new ATOM 0 H6 DT B 6 0.135 -8.363 1.721 1.00 1.23 H new ATOM 1997 P DA B 7 2.372 -8.202 6.755 1.00 1.87 P ATOM 1998 OP1 DA B 7 2.568 -8.136 8.218 1.00 2.11 O ATOM 1999 OP2 DA B 7 2.373 -6.903 6.041 1.00 1.84 O ATOM 2000 O5' DA B 7 3.457 -9.169 6.101 1.00 1.65 O ATOM 2001 C5' DA B 7 3.371 -10.593 6.361 1.00 1.65 C ATOM 2002 C4' DA B 7 4.760 -11.186 6.424 1.00 1.62 C ATOM 2003 O4' DA B 7 5.233 -11.413 5.057 1.00 1.37 O ATOM 2004 C3' DA B 7 5.842 -10.313 7.055 1.00 1.73 C ATOM 2005 O3' DA B 7 6.929 -11.084 7.560 1.00 1.83 O ATOM 2006 C2' DA B 7 6.326 -9.473 5.885 1.00 1.51 C ATOM 2007 C1' DA B 7 6.213 -10.451 4.724 1.00 1.30 C ATOM 2008 N9 DA B 7 5.807 -9.814 3.440 1.00 1.09 N ATOM 2009 C8 DA B 7 4.913 -8.795 3.247 1.00 1.14 C ATOM 2010 N7 DA B 7 4.768 -8.462 1.999 1.00 0.99 N ATOM 2011 C5 DA B 7 5.633 -9.309 1.328 1.00 0.80 C ATOM 2012 C6 DA B 7 5.944 -9.459 -0.039 1.00 0.64 C ATOM 2013 N6 DA B 7 5.390 -8.708 -1.005 1.00 0.69 N ATOM 2014 N1 DA B 7 6.840 -10.403 -0.369 1.00 0.57 N ATOM 2015 C2 DA B 7 7.382 -11.139 0.598 1.00 0.68 C ATOM 2016 N3 DA B 7 7.173 -11.101 1.895 1.00 0.84 N ATOM 2017 C4 DA B 7 6.271 -10.148 2.194 1.00 0.88 C ATOM 0 H5' DA B 7 2.792 -11.081 5.577 1.00 1.65 H new ATOM 0 H5'' DA B 7 2.847 -10.770 7.300 1.00 1.65 H new ATOM 0 H4' DA B 7 4.636 -12.075 7.042 1.00 1.62 H new ATOM 0 H3' DA B 7 5.462 -9.741 7.901 1.00 1.73 H new ATOM 0 H2' DA B 7 5.707 -8.588 5.735 1.00 1.51 H new ATOM 0 H2'' DA B 7 7.349 -9.126 6.028 1.00 1.51 H new ATOM 0 H1' DA B 7 7.202 -10.883 4.573 1.00 1.30 H new ATOM 0 H8 DA B 7 4.380 -8.314 4.054 1.00 1.14 H new ATOM 0 H61 DA B 7 5.650 -8.858 -1.980 1.00 0.69 H new ATOM 0 H62 DA B 7 4.709 -7.988 -0.764 1.00 0.69 H new ATOM 0 H2 DA B 7 8.099 -11.876 0.269 1.00 0.68 H new ATOM 2029 P DT B 8 8.369 -10.412 7.698 1.00 1.86 P ATOM 2030 OP1 DT B 8 9.090 -11.006 8.841 1.00 2.10 O ATOM 2031 OP2 DT B 8 8.218 -8.936 7.724 1.00 1.84 O ATOM 2032 O5' DT B 8 9.058 -10.851 6.328 1.00 1.63 O ATOM 2033 C5' DT B 8 8.954 -12.236 5.908 1.00 1.61 C ATOM 2034 C4' DT B 8 10.216 -12.644 5.185 1.00 1.57 C ATOM 2035 O4' DT B 8 10.138 -12.166 3.804 1.00 1.32 O ATOM 2036 C3' DT B 8 11.522 -12.056 5.714 1.00 1.70 C ATOM 2037 O3' DT B 8 12.651 -12.857 5.371 1.00 1.78 O ATOM 2038 C2' DT B 8 11.615 -10.726 4.983 1.00 1.49 C ATOM 2039 C1' DT B 8 11.005 -11.063 3.627 1.00 1.26 C ATOM 2040 N1 DT B 8 10.214 -9.953 3.033 1.00 1.06 N ATOM 2041 C2 DT B 8 10.298 -9.780 1.667 1.00 0.85 C ATOM 2042 O2 DT B 8 10.982 -10.492 0.953 1.00 0.85 O ATOM 2043 N3 DT B 8 9.546 -8.739 1.158 1.00 0.71 N ATOM 2044 C4 DT B 8 8.745 -7.880 1.872 1.00 0.82 C ATOM 2045 O4 DT B 8 8.115 -6.979 1.304 1.00 0.80 O ATOM 2046 C5 DT B 8 8.723 -8.134 3.294 1.00 1.04 C ATOM 2047 C7 DT B 8 7.855 -7.224 4.111 1.00 1.22 C ATOM 2048 C6 DT B 8 9.438 -9.144 3.825 1.00 1.14 C ATOM 0 H5' DT B 8 8.091 -12.364 5.254 1.00 1.61 H new ATOM 0 H5'' DT B 8 8.796 -12.878 6.774 1.00 1.61 H new ATOM 0 H4' DT B 8 10.253 -13.726 5.316 1.00 1.57 H new ATOM 0 H3' DT B 8 11.525 -11.983 6.802 1.00 1.70 H new ATOM 0 H2' DT B 8 11.060 -9.940 5.495 1.00 1.49 H new ATOM 0 H2'' DT B 8 12.645 -10.382 4.892 1.00 1.49 H new ATOM 0 H1' DT B 8 11.830 -11.271 2.946 1.00 1.26 H new ATOM 0 H3 DT B 8 9.590 -8.593 0.149 1.00 0.71 H new ATOM 0 H71 DT B 8 7.804 -6.245 3.635 1.00 1.22 H new ATOM 0 H72 DT B 8 6.852 -7.645 4.182 1.00 1.22 H new ATOM 0 H73 DT B 8 8.277 -7.120 5.111 1.00 1.22 H new ATOM 0 H6 DT B 8 9.400 -9.320 4.890 1.00 1.14 H new ATOM 2061 P DA B 9 14.091 -12.180 5.279 1.00 1.82 P ATOM 2062 OP1 DA B 9 15.127 -13.160 5.667 1.00 2.06 O ATOM 2063 OP2 DA B 9 14.084 -10.908 6.039 1.00 1.83 O ATOM 2064 O5' DA B 9 14.194 -11.866 3.719 1.00 1.59 O ATOM 2065 C5' DA B 9 13.832 -12.903 2.772 1.00 1.55 C ATOM 2066 C4' DA B 9 14.704 -12.800 1.542 1.00 1.52 C ATOM 2067 O4' DA B 9 14.169 -11.750 0.675 1.00 1.27 O ATOM 2068 C3' DA B 9 16.158 -12.393 1.773 1.00 1.65 C ATOM 2069 O3' DA B 9 17.013 -12.826 0.720 1.00 1.73 O ATOM 2070 C2' DA B 9 16.087 -10.873 1.768 1.00 1.46 C ATOM 2071 C1' DA B 9 15.002 -10.609 0.734 1.00 1.23 C ATOM 2072 N9 DA B 9 14.142 -9.437 1.054 1.00 1.04 N ATOM 2073 C8 DA B 9 13.692 -9.023 2.279 1.00 1.11 C ATOM 2074 N7 DA B 9 12.949 -7.958 2.229 1.00 0.98 N ATOM 2075 C5 DA B 9 12.918 -7.640 0.883 1.00 0.79 C ATOM 2076 C6 DA B 9 12.287 -6.602 0.166 1.00 0.64 C ATOM 2077 N6 DA B 9 11.543 -5.649 0.754 1.00 0.71 N ATOM 2078 N1 DA B 9 12.452 -6.582 -1.165 1.00 0.57 N ATOM 2079 C2 DA B 9 13.191 -7.529 -1.736 1.00 0.66 C ATOM 2080 N3 DA B 9 13.821 -8.543 -1.186 1.00 0.79 N ATOM 2081 C4 DA B 9 13.637 -8.538 0.148 1.00 0.84 C ATOM 0 H5' DA B 9 12.783 -12.804 2.494 1.00 1.55 H new ATOM 0 H5'' DA B 9 13.949 -13.885 3.231 1.00 1.55 H new ATOM 0 H4' DA B 9 14.694 -13.810 1.131 1.00 1.52 H new ATOM 0 H3' DA B 9 16.564 -12.830 2.685 1.00 1.65 H new ATOM 0 H2' DA B 9 15.823 -10.474 2.747 1.00 1.46 H new ATOM 0 H2'' DA B 9 17.038 -10.421 1.486 1.00 1.46 H new ATOM 0 H1' DA B 9 15.504 -10.395 -0.209 1.00 1.23 H new ATOM 0 H8 DA B 9 13.932 -9.533 3.200 1.00 1.11 H new ATOM 0 H61 DA B 9 11.108 -4.920 0.188 1.00 0.71 H new ATOM 0 H62 DA B 9 11.413 -5.655 1.766 1.00 0.71 H new ATOM 0 H2 DA B 9 13.288 -7.454 -2.809 1.00 0.66 H new ATOM 2093 P DA B 10 18.372 -12.039 0.440 1.00 1.78 P ATOM 2094 OP1 DA B 10 19.392 -12.975 -0.072 1.00 2.00 O ATOM 2095 OP2 DA B 10 18.748 -11.268 1.650 1.00 1.80 O ATOM 2096 O5' DA B 10 17.926 -11.032 -0.712 1.00 1.56 O ATOM 2097 C5' DA B 10 17.157 -11.546 -1.829 1.00 1.52 C ATOM 2098 C4' DA B 10 17.527 -10.799 -3.090 1.00 1.50 C ATOM 2099 O4' DA B 10 16.801 -9.529 -3.112 1.00 1.26 O ATOM 2100 C3' DA B 10 18.993 -10.398 -3.236 1.00 1.63 C ATOM 2101 O3' DA B 10 19.366 -10.205 -4.598 1.00 1.72 O ATOM 2102 C2' DA B 10 19.053 -9.064 -2.509 1.00 1.46 C ATOM 2103 C1' DA B 10 17.689 -8.465 -2.830 1.00 1.24 C ATOM 2104 N9 DA B 10 17.107 -7.668 -1.720 1.00 1.07 N ATOM 2105 C8 DA B 10 17.170 -7.914 -0.374 1.00 1.12 C ATOM 2106 N7 DA B 10 16.553 -7.028 0.347 1.00 1.02 N ATOM 2107 C5 DA B 10 16.060 -6.130 -0.581 1.00 0.85 C ATOM 2108 C6 DA B 10 15.299 -4.949 -0.455 1.00 0.74 C ATOM 2109 N6 DA B 10 14.903 -4.459 0.733 1.00 0.81 N ATOM 2110 N1 DA B 10 14.968 -4.301 -1.581 1.00 0.69 N ATOM 2111 C2 DA B 10 15.367 -4.797 -2.748 1.00 0.76 C ATOM 2112 N3 DA B 10 16.067 -5.880 -3.000 1.00 0.86 N ATOM 2113 C4 DA B 10 16.382 -6.509 -1.853 1.00 0.89 C ATOM 0 H5' DA B 10 16.091 -11.437 -1.630 1.00 1.52 H new ATOM 0 H5'' DA B 10 17.350 -12.611 -1.956 1.00 1.52 H new ATOM 0 H4' DA B 10 17.285 -11.501 -3.888 1.00 1.50 H new ATOM 0 H3' DA B 10 19.665 -11.163 -2.847 1.00 1.63 H new ATOM 0 H2' DA B 10 19.201 -9.190 -1.436 1.00 1.46 H new ATOM 0 H2'' DA B 10 19.869 -8.438 -2.871 1.00 1.46 H new ATOM 0 H1' DA B 10 17.828 -7.788 -3.673 1.00 1.24 H new ATOM 0 H8 DA B 10 17.684 -8.765 0.048 1.00 1.12 H new ATOM 0 H61 DA B 10 14.354 -3.601 0.773 1.00 0.81 H new ATOM 0 H62 DA B 10 15.152 -4.946 1.594 1.00 0.81 H new ATOM 0 H2 DA B 10 15.073 -4.226 -3.616 1.00 0.76 H new ATOM 2125 P DC B 11 20.591 -9.246 -4.947 1.00 1.78 P ATOM 2126 OP1 DC B 11 21.274 -9.730 -6.163 1.00 2.00 O ATOM 2127 OP2 DC B 11 21.444 -9.087 -3.744 1.00 1.79 O ATOM 2128 O5' DC B 11 19.840 -7.872 -5.250 1.00 1.58 O ATOM 2129 C5' DC B 11 18.679 -7.889 -6.117 1.00 1.55 C ATOM 2130 C4' DC B 11 18.622 -6.612 -6.923 1.00 1.54 C ATOM 2131 O4' DC B 11 18.049 -5.556 -6.089 1.00 1.33 O ATOM 2132 C3' DC B 11 19.963 -6.040 -7.381 1.00 1.68 C ATOM 2133 O3' DC B 11 19.830 -5.204 -8.528 1.00 1.78 O ATOM 2134 C2' DC B 11 20.394 -5.194 -6.194 1.00 1.51 C ATOM 2135 C1' DC B 11 19.063 -4.656 -5.686 1.00 1.31 C ATOM 2136 N1 DC B 11 18.994 -4.526 -4.206 1.00 1.14 N ATOM 2137 C2 DC B 11 18.315 -3.429 -3.681 1.00 1.00 C ATOM 2138 O2 DC B 11 17.807 -2.611 -4.457 1.00 1.03 O ATOM 2139 N3 DC B 11 18.243 -3.290 -2.333 1.00 0.91 N ATOM 2140 C4 DC B 11 18.806 -4.194 -1.520 1.00 0.98 C ATOM 2141 N4 DC B 11 18.700 -4.013 -0.212 1.00 1.00 N ATOM 2142 C5 DC B 11 19.510 -5.325 -2.035 1.00 1.14 C ATOM 2143 C6 DC B 11 19.569 -5.445 -3.388 1.00 1.20 C ATOM 0 H5' DC B 11 17.772 -7.995 -5.523 1.00 1.55 H new ATOM 0 H5'' DC B 11 18.725 -8.749 -6.785 1.00 1.55 H new ATOM 0 H4' DC B 11 18.047 -6.888 -7.807 1.00 1.54 H new ATOM 0 H3' DC B 11 20.665 -6.825 -7.663 1.00 1.68 H new ATOM 0 H2' DC B 11 20.910 -5.786 -5.438 1.00 1.51 H new ATOM 0 H2'' DC B 11 21.072 -4.393 -6.489 1.00 1.51 H new ATOM 0 H1' DC B 11 18.940 -3.657 -6.103 1.00 1.31 H new ATOM 0 H41 DC B 11 19.119 -4.685 0.431 1.00 1.00 H new ATOM 0 H42 DC B 11 18.200 -3.202 0.152 1.00 1.00 H new ATOM 0 H5 DC B 11 19.973 -6.050 -1.381 1.00 1.14 H new ATOM 0 H6 DC B 11 20.084 -6.289 -3.822 1.00 1.20 H new ATOM 2155 P DG B 12 20.917 -4.073 -8.803 1.00 1.84 P ATOM 2156 OP1 DG B 12 21.069 -3.869 -10.259 1.00 2.07 O ATOM 2157 OP2 DG B 12 22.162 -4.399 -8.062 1.00 1.85 O ATOM 2158 O5' DG B 12 20.225 -2.798 -8.142 1.00 1.66 O ATOM 2159 C5' DG B 12 18.831 -2.532 -8.432 1.00 1.64 C ATOM 2160 C4' DG B 12 18.592 -1.041 -8.471 1.00 1.65 C ATOM 2161 O4' DG B 12 18.450 -0.553 -7.099 1.00 1.44 O ATOM 2162 C3' DG B 12 19.716 -0.189 -9.057 1.00 1.78 C ATOM 2163 O3' DG B 12 19.243 1.062 -9.548 1.00 1.89 O ATOM 2164 C2' DG B 12 20.618 0.054 -7.858 1.00 1.62 C ATOM 2165 C1' DG B 12 19.612 0.157 -6.719 1.00 1.43 C ATOM 2166 N9 DG B 12 20.098 -0.417 -5.436 1.00 1.27 N ATOM 2167 C8 DG B 12 20.870 -1.540 -5.218 1.00 1.29 C ATOM 2168 N7 DG B 12 21.128 -1.774 -3.957 1.00 1.20 N ATOM 2169 C5 DG B 12 20.481 -0.736 -3.281 1.00 1.09 C ATOM 2170 C6 DG B 12 20.401 -0.460 -1.897 1.00 1.04 C ATOM 2171 O6 DG B 12 20.890 -1.079 -0.953 1.00 1.08 O ATOM 2172 N1 DG B 12 19.643 0.699 -1.649 1.00 1.03 N ATOM 2173 C2 DG B 12 19.051 1.481 -2.618 1.00 1.08 C ATOM 2174 N2 DG B 12 18.374 2.548 -2.182 1.00 1.16 N ATOM 2175 N3 DG B 12 19.120 1.217 -3.921 1.00 1.15 N ATOM 2176 C4 DG B 12 19.847 0.098 -4.183 1.00 1.14 C ATOM 0 H5' DG B 12 18.198 -2.991 -7.673 1.00 1.64 H new ATOM 0 H5'' DG B 12 18.557 -2.979 -9.388 1.00 1.64 H new ATOM 0 H4' DG B 12 17.715 -0.936 -9.109 1.00 1.65 H new ATOM 0 H3' DG B 12 20.200 -0.679 -9.902 1.00 1.78 H new ATOM 0 H2' DG B 12 21.324 -0.763 -7.706 1.00 1.62 H new ATOM 0 H2'' DG B 12 21.205 0.966 -7.967 1.00 1.62 H new ATOM 0 H1' DG B 12 19.428 1.218 -6.548 1.00 1.43 H new ATOM 0 H8 DG B 12 21.230 -2.170 -6.018 1.00 1.29 H new ATOM 0 H1 DG B 12 19.522 0.983 -0.677 1.00 1.03 H new ATOM 0 H21 DG B 12 17.913 3.167 -2.849 1.00 1.16 H new ATOM 0 H22 DG B 12 18.319 2.743 -1.182 1.00 1.16 H new ATOM 2188 P DT B 13 20.246 2.299 -9.636 1.00 1.95 P ATOM 2189 OP1 DT B 13 19.872 3.164 -10.770 1.00 2.17 O ATOM 2190 OP2 DT B 13 21.642 1.797 -9.637 1.00 1.96 O ATOM 2191 O5' DT B 13 19.951 3.045 -8.259 1.00 1.78 O ATOM 2192 C5' DT B 13 18.572 3.271 -7.869 1.00 1.75 C ATOM 2193 C4' DT B 13 18.462 4.580 -7.121 1.00 1.76 C ATOM 2194 O4' DT B 13 18.871 4.362 -5.733 1.00 1.57 O ATOM 2195 C3' DT B 13 19.360 5.716 -7.604 1.00 1.89 C ATOM 2196 O3' DT B 13 18.847 6.997 -7.249 1.00 1.99 O ATOM 2197 C2' DT B 13 20.655 5.470 -6.844 1.00 1.75 C ATOM 2198 C1' DT B 13 20.146 4.933 -5.513 1.00 1.57 C ATOM 2199 N1 DT B 13 21.017 3.883 -4.917 1.00 1.42 N ATOM 2200 C2 DT B 13 21.169 3.895 -3.546 1.00 1.32 C ATOM 2201 O2 DT B 13 20.625 4.717 -2.829 1.00 1.35 O ATOM 2202 N3 DT B 13 21.984 2.904 -3.037 1.00 1.25 N ATOM 2203 C4 DT B 13 22.643 1.934 -3.753 1.00 1.28 C ATOM 2204 O4 DT B 13 23.350 1.094 -3.182 1.00 1.28 O ATOM 2205 C5 DT B 13 22.429 2.003 -5.178 1.00 1.39 C ATOM 2206 C7 DT B 13 23.123 0.957 -6.000 1.00 1.50 C ATOM 2207 C6 DT B 13 21.635 2.952 -5.712 1.00 1.45 C ATOM 0 H5' DT B 13 18.223 2.452 -7.241 1.00 1.75 H new ATOM 0 H5'' DT B 13 17.933 3.291 -8.752 1.00 1.75 H new ATOM 0 H4' DT B 13 17.425 4.879 -7.272 1.00 1.76 H new ATOM 0 H3' DT B 13 19.459 5.723 -8.689 1.00 1.89 H new ATOM 0 H2' DT B 13 21.297 4.752 -7.354 1.00 1.75 H new ATOM 0 H2'' DT B 13 21.235 6.385 -6.720 1.00 1.75 H new ATOM 0 H1' DT B 13 20.126 5.771 -4.816 1.00 1.57 H new ATOM 0 H3 DT B 13 22.110 2.890 -2.025 1.00 1.25 H new ATOM 0 H71 DT B 13 24.048 0.660 -5.506 1.00 1.50 H new ATOM 0 H72 DT B 13 22.474 0.088 -6.106 1.00 1.50 H new ATOM 0 H73 DT B 13 23.352 1.362 -6.986 1.00 1.50 H new ATOM 0 H6 DT B 13 21.483 2.980 -6.781 1.00 1.45 H new ATOM 2220 P DC B 14 19.849 8.230 -7.105 1.00 2.06 P ATOM 2221 OP1 DC B 14 19.159 9.479 -7.487 1.00 2.27 O ATOM 2222 OP2 DC B 14 21.101 7.931 -7.842 1.00 2.07 O ATOM 2223 O5' DC B 14 20.138 8.224 -5.538 1.00 1.90 O ATOM 2224 C5' DC B 14 19.020 8.102 -4.623 1.00 1.87 C ATOM 2225 C4' DC B 14 19.299 8.898 -3.368 1.00 1.89 C ATOM 2226 O4' DC B 14 20.165 8.107 -2.494 1.00 1.72 O ATOM 2227 C3' DC B 14 20.051 10.215 -3.554 1.00 2.02 C ATOM 2228 O3' DC B 14 19.811 11.128 -2.486 1.00 2.12 O ATOM 2229 C2' DC B 14 21.507 9.779 -3.520 1.00 1.90 C ATOM 2230 C1' DC B 14 21.476 8.641 -2.509 1.00 1.74 C ATOM 2231 N1 DC B 14 22.413 7.530 -2.827 1.00 1.60 N ATOM 2232 C2 DC B 14 23.069 6.908 -1.767 1.00 1.52 C ATOM 2233 O2 DC B 14 22.852 7.301 -0.614 1.00 1.56 O ATOM 2234 N3 DC B 14 23.930 5.895 -2.037 1.00 1.45 N ATOM 2235 C4 DC B 14 24.143 5.492 -3.296 1.00 1.46 C ATOM 2236 N4 DC B 14 24.990 4.496 -3.501 1.00 1.45 N ATOM 2237 C5 DC B 14 23.487 6.118 -4.399 1.00 1.55 C ATOM 2238 C6 DC B 14 22.625 7.129 -4.107 1.00 1.62 C ATOM 0 H5' DC B 14 18.856 7.054 -4.372 1.00 1.87 H new ATOM 0 H5'' DC B 14 18.108 8.462 -5.098 1.00 1.87 H new ATOM 0 H4' DC B 14 18.307 9.124 -2.977 1.00 1.89 H new ATOM 0 H3' DC B 14 19.748 10.733 -4.464 1.00 2.02 H new ATOM 0 H2' DC B 14 21.856 9.446 -4.498 1.00 1.90 H new ATOM 0 H2'' DC B 14 22.167 10.587 -3.204 1.00 1.90 H new ATOM 0 H1' DC B 14 21.781 9.058 -1.549 1.00 1.74 H new ATOM 0 H41 DC B 14 25.172 4.168 -4.450 1.00 1.45 H new ATOM 0 H42 DC B 14 25.461 4.056 -2.710 1.00 1.45 H new ATOM 0 H5 DC B 14 23.667 5.804 -5.417 1.00 1.55 H new ATOM 0 H6 DC B 14 22.098 7.623 -4.910 1.00 1.62 H new ATOM 2250 P DG B 15 20.893 12.251 -2.158 1.00 2.21 P ATOM 2251 OP1 DG B 15 20.219 13.458 -1.638 1.00 2.40 O ATOM 2252 OP2 DG B 15 21.763 12.453 -3.342 1.00 2.21 O ATOM 2253 O5' DG B 15 21.734 11.551 -0.996 1.00 2.07 O ATOM 2254 C5' DG B 15 21.020 10.907 0.089 1.00 2.04 C ATOM 2255 C4' DG B 15 21.801 11.059 1.374 1.00 2.08 C ATOM 2256 O4' DG B 15 22.858 10.049 1.403 1.00 1.93 O ATOM 2257 C3' DG B 15 22.542 12.382 1.566 1.00 2.21 C ATOM 2258 O3' DG B 15 22.783 12.671 2.940 1.00 2.32 O ATOM 2259 C2' DG B 15 23.868 12.132 0.868 1.00 2.10 C ATOM 2260 C1' DG B 15 24.112 10.659 1.167 1.00 1.95 C ATOM 2261 N9 DG B 15 24.775 9.923 0.057 1.00 1.82 N ATOM 2262 C8 DG B 15 24.598 10.054 -1.305 1.00 1.80 C ATOM 2263 N7 DG B 15 25.342 9.251 -2.020 1.00 1.72 N ATOM 2264 C5 DG B 15 26.067 8.527 -1.071 1.00 1.67 C ATOM 2265 C6 DG B 15 27.031 7.508 -1.240 1.00 1.63 C ATOM 2266 O6 DG B 15 27.464 7.015 -2.282 1.00 1.62 O ATOM 2267 N1 DG B 15 27.517 7.049 -0.004 1.00 1.65 N ATOM 2268 C2 DG B 15 27.119 7.523 1.229 1.00 1.72 C ATOM 2269 N2 DG B 15 27.702 6.962 2.293 1.00 1.80 N ATOM 2270 N3 DG B 15 26.206 8.477 1.390 1.00 1.77 N ATOM 2271 C4 DG B 15 25.722 8.934 0.206 1.00 1.73 C ATOM 0 H5' DG B 15 20.873 9.851 -0.136 1.00 2.04 H new ATOM 0 H5'' DG B 15 20.030 11.350 0.199 1.00 2.04 H new ATOM 0 H4' DG B 15 21.040 10.977 2.150 1.00 2.08 H new ATOM 0 H3' DG B 15 21.973 13.227 1.178 1.00 2.21 H new ATOM 0 H2' DG B 15 23.808 12.326 -0.203 1.00 2.10 H new ATOM 0 H2'' DG B 15 24.662 12.765 1.263 1.00 2.10 H new ATOM 0 HO3' DG B 15 23.260 13.524 3.016 1.00 2.32 H new ATOM 0 H1' DG B 15 24.779 10.613 2.028 1.00 1.95 H new ATOM 0 H8 DG B 15 23.906 10.758 -1.742 1.00 1.80 H new ATOM 0 H1 DG B 15 28.218 6.308 -0.020 1.00 1.65 H new ATOM 0 H21 DG B 15 27.451 7.269 3.233 1.00 1.80 H new ATOM 0 H22 DG B 15 28.398 6.227 2.165 1.00 1.80 H new TER 2284 DG B 15 ATOM 2285 OP3 DC C 16 35.490 2.911 -0.949 1.00 2.40 O ATOM 2286 P DC C 16 34.994 1.512 -0.373 1.00 2.45 P ATOM 2287 OP1 DC C 16 36.173 0.778 0.152 1.00 2.66 O ATOM 2288 OP2 DC C 16 34.124 0.871 -1.392 1.00 2.37 O ATOM 2289 O5' DC C 16 34.084 1.944 0.865 1.00 2.36 O ATOM 2290 C5' DC C 16 34.611 2.774 1.930 1.00 2.43 C ATOM 2291 C4' DC C 16 33.621 2.832 3.069 1.00 2.41 C ATOM 2292 O4' DC C 16 32.591 3.818 2.744 1.00 2.24 O ATOM 2293 C3' DC C 16 32.838 1.552 3.354 1.00 2.43 C ATOM 2294 O3' DC C 16 32.360 1.500 4.698 1.00 2.51 O ATOM 2295 C2' DC C 16 31.654 1.661 2.408 1.00 2.22 C ATOM 2296 C1' DC C 16 31.385 3.160 2.405 1.00 2.12 C ATOM 2297 N1 DC C 16 30.935 3.688 1.088 1.00 1.96 N ATOM 2298 C2 DC C 16 29.965 4.688 1.085 1.00 1.85 C ATOM 2299 O2 DC C 16 29.518 5.091 2.165 1.00 1.89 O ATOM 2300 N3 DC C 16 29.541 5.178 -0.106 1.00 1.75 N ATOM 2301 C4 DC C 16 30.045 4.719 -1.258 1.00 1.76 C ATOM 2302 N4 DC C 16 29.596 5.237 -2.390 1.00 1.72 N ATOM 2303 C5 DC C 16 31.037 3.689 -1.280 1.00 1.88 C ATOM 2304 C6 DC C 16 31.451 3.213 -0.075 1.00 1.97 C ATOM 0 H5' DC C 16 34.809 3.779 1.557 1.00 2.43 H new ATOM 0 H5'' DC C 16 35.561 2.371 2.282 1.00 2.43 H new ATOM 0 H4' DC C 16 34.239 3.055 3.939 1.00 2.41 H new ATOM 0 H3' DC C 16 33.451 0.661 3.219 1.00 2.43 H new ATOM 0 H2' DC C 16 31.892 1.288 1.412 1.00 2.22 H new ATOM 0 H2'' DC C 16 30.794 1.093 2.764 1.00 2.22 H new ATOM 0 H1' DC C 16 30.580 3.342 3.117 1.00 2.12 H new ATOM 0 H41 DC C 16 29.962 4.906 -3.283 1.00 1.72 H new ATOM 0 H42 DC C 16 28.884 5.967 -2.370 1.00 1.72 H new ATOM 0 H5 DC C 16 31.438 3.308 -2.208 1.00 1.88 H new ATOM 0 H6 DC C 16 32.206 2.441 -0.042 1.00 1.97 H new ATOM 2317 P DG C 17 31.077 0.617 5.039 1.00 2.47 P ATOM 2318 OP1 DG C 17 31.186 0.089 6.412 1.00 2.67 O ATOM 2319 OP2 DG C 17 30.880 -0.391 3.969 1.00 2.40 O ATOM 2320 O5' DG C 17 29.914 1.706 4.963 1.00 2.30 O ATOM 2321 C5' DG C 17 30.103 2.976 5.634 1.00 2.35 C ATOM 2322 C4' DG C 17 28.781 3.475 6.168 1.00 2.31 C ATOM 2323 O4' DG C 17 28.042 4.105 5.073 1.00 2.11 O ATOM 2324 C3' DG C 17 27.824 2.414 6.707 1.00 2.34 C ATOM 2325 O3' DG C 17 26.893 2.952 7.643 1.00 2.42 O ATOM 2326 C2' DG C 17 27.076 1.969 5.459 1.00 2.12 C ATOM 2327 C1' DG C 17 26.979 3.266 4.667 1.00 1.99 C ATOM 2328 N9 DG C 17 27.086 3.079 3.195 1.00 1.83 N ATOM 2329 C8 DG C 17 27.881 2.205 2.481 1.00 1.83 C ATOM 2330 N7 DG C 17 27.737 2.290 1.184 1.00 1.71 N ATOM 2331 C5 DG C 17 26.780 3.294 1.015 1.00 1.61 C ATOM 2332 C6 DG C 17 26.219 3.829 -0.165 1.00 1.50 C ATOM 2333 O6 DG C 17 26.447 3.530 -1.336 1.00 1.48 O ATOM 2334 N1 DG C 17 25.279 4.833 0.124 1.00 1.48 N ATOM 2335 C2 DG C 17 24.929 5.252 1.392 1.00 1.57 C ATOM 2336 N2 DG C 17 24.010 6.221 1.461 1.00 1.60 N ATOM 2337 N3 DG C 17 25.464 4.754 2.503 1.00 1.67 N ATOM 2338 C4 DG C 17 26.379 3.781 2.247 1.00 1.68 C ATOM 0 H5' DG C 17 30.524 3.705 4.941 1.00 2.35 H new ATOM 0 H5'' DG C 17 30.816 2.864 6.451 1.00 2.35 H new ATOM 0 H4' DG C 17 29.063 4.130 6.992 1.00 2.31 H new ATOM 0 H3' DG C 17 28.352 1.619 7.234 1.00 2.34 H new ATOM 0 H2' DG C 17 27.618 1.197 4.912 1.00 2.12 H new ATOM 0 H2'' DG C 17 26.093 1.562 5.696 1.00 2.12 H new ATOM 0 H1' DG C 17 25.996 3.691 4.869 1.00 1.99 H new ATOM 0 H8 DG C 17 28.562 1.512 2.952 1.00 1.83 H new ATOM 0 H1 DG C 17 24.819 5.288 -0.665 1.00 1.48 H new ATOM 0 H21 DG C 17 23.709 6.574 2.369 1.00 1.60 H new ATOM 0 H22 DG C 17 23.610 6.607 0.605 1.00 1.60 H new ATOM 2350 P DA C 18 25.492 2.223 7.860 1.00 2.38 P ATOM 2351 OP1 DA C 18 25.047 2.405 9.257 1.00 2.59 O ATOM 2352 OP2 DA C 18 25.591 0.820 7.389 1.00 2.33 O ATOM 2353 O5' DA C 18 24.549 3.048 6.875 1.00 2.18 O ATOM 2354 C5' DA C 18 24.612 4.498 6.899 1.00 2.21 C ATOM 2355 C4' DA C 18 23.243 5.072 6.620 1.00 2.15 C ATOM 2356 O4' DA C 18 23.013 5.057 5.175 1.00 1.93 O ATOM 2357 C3' DA C 18 22.054 4.307 7.198 1.00 2.19 C ATOM 2358 O3' DA C 18 20.909 5.138 7.370 1.00 2.25 O ATOM 2359 C2' DA C 18 21.765 3.271 6.123 1.00 1.97 C ATOM 2360 C1' DA C 18 22.089 4.038 4.848 1.00 1.82 C ATOM 2361 N9 DA C 18 22.699 3.197 3.781 1.00 1.66 N ATOM 2362 C8 DA C 18 23.597 2.172 3.921 1.00 1.69 C ATOM 2363 N7 DA C 18 23.948 1.633 2.792 1.00 1.57 N ATOM 2364 C5 DA C 18 23.224 2.339 1.848 1.00 1.44 C ATOM 2365 C6 DA C 18 23.153 2.251 0.443 1.00 1.32 C ATOM 2366 N6 DA C 18 23.851 1.352 -0.273 1.00 1.32 N ATOM 2367 N1 DA C 18 22.342 3.110 -0.191 1.00 1.27 N ATOM 2368 C2 DA C 18 21.654 3.994 0.526 1.00 1.35 C ATOM 2369 N3 DA C 18 21.636 4.181 1.829 1.00 1.46 N ATOM 2370 C4 DA C 18 22.460 3.307 2.434 1.00 1.49 C ATOM 0 H5' DA C 18 25.324 4.853 6.154 1.00 2.21 H new ATOM 0 H5'' DA C 18 24.969 4.840 7.870 1.00 2.21 H new ATOM 0 H4' DA C 18 23.275 6.056 7.088 1.00 2.15 H new ATOM 0 H3' DA C 18 22.274 3.896 8.183 1.00 2.19 H new ATOM 0 H2' DA C 18 22.388 2.383 6.234 1.00 1.97 H new ATOM 0 H2'' DA C 18 20.727 2.938 6.146 1.00 1.97 H new ATOM 0 H1' DA C 18 21.147 4.423 4.458 1.00 1.82 H new ATOM 0 H8 DA C 18 23.977 1.844 4.877 1.00 1.69 H new ATOM 0 H61 DA C 18 23.763 1.330 -1.289 1.00 1.32 H new ATOM 0 H62 DA C 18 24.468 0.692 0.200 1.00 1.32 H new ATOM 0 H2 DA C 18 21.017 4.655 -0.044 1.00 1.35 H new ATOM 2382 P DC C 19 19.458 4.479 7.373 1.00 2.21 P ATOM 2383 OP1 DC C 19 18.561 5.252 8.256 1.00 2.41 O ATOM 2384 OP2 DC C 19 19.577 3.033 7.674 1.00 2.18 O ATOM 2385 O5' DC C 19 19.019 4.668 5.850 1.00 2.00 O ATOM 2386 C5' DC C 19 19.215 5.960 5.223 1.00 2.01 C ATOM 2387 C4' DC C 19 18.102 6.224 4.236 1.00 1.95 C ATOM 2388 O4' DC C 19 18.408 5.518 2.990 1.00 1.73 O ATOM 2389 C3' DC C 19 16.716 5.717 4.626 1.00 1.99 C ATOM 2390 O3' DC C 19 15.674 6.432 3.963 1.00 2.05 O ATOM 2391 C2' DC C 19 16.728 4.279 4.127 1.00 1.78 C ATOM 2392 C1' DC C 19 17.565 4.388 2.860 1.00 1.62 C ATOM 2393 N1 DC C 19 18.429 3.204 2.609 1.00 1.46 N ATOM 2394 C2 DC C 19 18.589 2.784 1.290 1.00 1.30 C ATOM 2395 O2 DC C 19 18.009 3.402 0.390 1.00 1.30 O ATOM 2396 N3 DC C 19 19.371 1.703 1.040 1.00 1.20 N ATOM 2397 C4 DC C 19 19.986 1.056 2.037 1.00 1.28 C ATOM 2398 N4 DC C 19 20.741 0.011 1.736 1.00 1.26 N ATOM 2399 C5 DC C 19 19.833 1.465 3.399 1.00 1.46 C ATOM 2400 C6 DC C 19 19.046 2.551 3.627 1.00 1.54 C ATOM 0 H5' DC C 19 20.178 5.985 4.714 1.00 2.01 H new ATOM 0 H5'' DC C 19 19.235 6.743 5.981 1.00 2.01 H new ATOM 0 H4' DC C 19 18.061 7.311 4.172 1.00 1.95 H new ATOM 0 H3' DC C 19 16.527 5.831 5.693 1.00 1.99 H new ATOM 0 H2' DC C 19 17.174 3.599 4.853 1.00 1.78 H new ATOM 0 H2'' DC C 19 15.723 3.911 3.921 1.00 1.78 H new ATOM 0 H1' DC C 19 16.871 4.465 2.023 1.00 1.62 H new ATOM 0 H41 DC C 19 21.222 -0.501 2.476 1.00 1.26 H new ATOM 0 H42 DC C 19 20.842 -0.282 0.764 1.00 1.26 H new ATOM 0 H5 DC C 19 20.318 0.938 4.207 1.00 1.46 H new ATOM 0 H6 DC C 19 18.909 2.901 4.639 1.00 1.54 H new ATOM 2412 P DG C 20 14.260 5.730 3.743 1.00 2.03 P ATOM 2413 OP1 DG C 20 13.189 6.745 3.776 1.00 2.23 O ATOM 2414 OP2 DG C 20 14.117 4.606 4.700 1.00 2.01 O ATOM 2415 O5' DG C 20 14.420 5.152 2.267 1.00 1.81 O ATOM 2416 C5' DG C 20 14.957 6.015 1.233 1.00 1.82 C ATOM 2417 C4' DG C 20 14.306 5.693 -0.092 1.00 1.77 C ATOM 2418 O4' DG C 20 14.965 4.517 -0.664 1.00 1.54 O ATOM 2419 C3' DG C 20 12.828 5.311 -0.046 1.00 1.83 C ATOM 2420 O3' DG C 20 12.172 5.545 -1.290 1.00 1.90 O ATOM 2421 C2' DG C 20 12.872 3.815 0.220 1.00 1.62 C ATOM 2422 C1' DG C 20 14.116 3.391 -0.552 1.00 1.45 C ATOM 2423 N9 DG C 20 14.889 2.303 0.103 1.00 1.28 N ATOM 2424 C8 DG C 20 15.133 2.092 1.446 1.00 1.33 C ATOM 2425 N7 DG C 20 15.854 1.030 1.697 1.00 1.22 N ATOM 2426 C5 DG C 20 16.116 0.493 0.434 1.00 1.05 C ATOM 2427 C6 DG C 20 16.853 -0.656 0.067 1.00 0.94 C ATOM 2428 O6 DG C 20 17.443 -1.462 0.785 1.00 0.97 O ATOM 2429 N1 DG C 20 16.863 -0.833 -1.329 1.00 0.87 N ATOM 2430 C2 DG C 20 16.235 -0.007 -2.237 1.00 0.95 C ATOM 2431 N2 DG C 20 16.357 -0.346 -3.525 1.00 0.99 N ATOM 2432 N3 DG C 20 15.549 1.078 -1.892 1.00 1.07 N ATOM 2433 C4 DG C 20 15.527 1.271 -0.546 1.00 1.10 C ATOM 0 H5' DG C 20 16.036 5.882 1.160 1.00 1.82 H new ATOM 0 H5'' DG C 20 14.781 7.059 1.491 1.00 1.82 H new ATOM 0 H4' DG C 20 14.402 6.618 -0.661 1.00 1.77 H new ATOM 0 H3' DG C 20 12.281 5.892 0.696 1.00 1.83 H new ATOM 0 H2' DG C 20 12.957 3.592 1.284 1.00 1.62 H new ATOM 0 H2'' DG C 20 11.976 3.310 -0.141 1.00 1.62 H new ATOM 0 H1' DG C 20 13.778 3.011 -1.516 1.00 1.45 H new ATOM 0 H8 DG C 20 14.761 2.746 2.221 1.00 1.33 H new ATOM 0 H1 DG C 20 17.375 -1.635 -1.698 1.00 0.87 H new ATOM 0 H21 DG C 20 15.916 0.224 -4.246 1.00 0.99 H new ATOM 0 H22 DG C 20 16.891 -1.175 -3.786 1.00 0.99 H new ATOM 2445 P DT C 21 10.869 4.705 -1.659 1.00 1.90 P ATOM 2446 OP1 DT C 21 9.965 5.525 -2.491 1.00 2.12 O ATOM 2447 OP2 DT C 21 10.279 4.147 -0.417 1.00 1.88 O ATOM 2448 O5' DT C 21 11.488 3.521 -2.529 1.00 1.69 O ATOM 2449 C5' DT C 21 12.445 3.847 -3.570 1.00 1.70 C ATOM 2450 C4' DT C 21 12.285 2.891 -4.729 1.00 1.66 C ATOM 2451 O4' DT C 21 12.982 1.646 -4.409 1.00 1.42 O ATOM 2452 C3' DT C 21 10.858 2.449 -5.052 1.00 1.74 C ATOM 2453 O3' DT C 21 10.719 2.022 -6.404 1.00 1.83 O ATOM 2454 C2' DT C 21 10.653 1.260 -4.129 1.00 1.53 C ATOM 2455 C1' DT C 21 12.043 0.633 -4.106 1.00 1.33 C ATOM 2456 N1 DT C 21 12.414 0.045 -2.790 1.00 1.14 N ATOM 2457 C2 DT C 21 13.137 -1.129 -2.806 1.00 0.96 C ATOM 2458 O2 DT C 21 13.473 -1.683 -3.839 1.00 0.97 O ATOM 2459 N3 DT C 21 13.462 -1.636 -1.564 1.00 0.84 N ATOM 2460 C4 DT C 21 13.132 -1.095 -0.344 1.00 0.94 C ATOM 2461 O4 DT C 21 13.480 -1.646 0.708 1.00 0.94 O ATOM 2462 C5 DT C 21 12.371 0.128 -0.426 1.00 1.13 C ATOM 2463 C7 DT C 21 11.997 0.759 0.883 1.00 1.30 C ATOM 2464 C6 DT C 21 12.042 0.658 -1.620 1.00 1.22 C ATOM 0 H5' DT C 21 13.459 3.788 -3.176 1.00 1.70 H new ATOM 0 H5'' DT C 21 12.293 4.872 -3.908 1.00 1.70 H new ATOM 0 H4' DT C 21 12.671 3.450 -5.581 1.00 1.66 H new ATOM 0 H3' DT C 21 10.142 3.260 -4.919 1.00 1.74 H new ATOM 0 H2' DT C 21 10.327 1.567 -3.135 1.00 1.53 H new ATOM 0 H2'' DT C 21 9.901 0.571 -4.513 1.00 1.53 H new ATOM 0 H1' DT C 21 12.041 -0.180 -4.833 1.00 1.33 H new ATOM 0 H3 DT C 21 14.003 -2.501 -1.550 1.00 0.84 H new ATOM 0 H71 DT C 21 11.884 -0.016 1.641 1.00 1.30 H new ATOM 0 H72 DT C 21 12.779 1.454 1.188 1.00 1.30 H new ATOM 0 H73 DT C 21 11.056 1.298 0.772 1.00 1.30 H new ATOM 0 H6 DT C 21 11.478 1.578 -1.657 1.00 1.22 H new ATOM 2477 P DT C 22 9.557 1.001 -6.787 1.00 1.85 P ATOM 2478 OP1 DT C 22 9.101 1.259 -8.168 1.00 2.09 O ATOM 2479 OP2 DT C 22 8.510 1.038 -5.739 1.00 1.83 O ATOM 2480 O5' DT C 22 10.326 -0.395 -6.720 1.00 1.63 O ATOM 2481 C5' DT C 22 11.620 -0.511 -7.366 1.00 1.63 C ATOM 2482 C4' DT C 22 11.791 -1.906 -7.918 1.00 1.59 C ATOM 2483 O4' DT C 22 12.199 -2.796 -6.831 1.00 1.34 O ATOM 2484 C3' DT C 22 10.539 -2.565 -8.494 1.00 1.69 C ATOM 2485 O3' DT C 22 10.855 -3.582 -9.443 1.00 1.79 O ATOM 2486 C2' DT C 22 9.899 -3.202 -7.273 1.00 1.48 C ATOM 2487 C1' DT C 22 11.115 -3.627 -6.460 1.00 1.26 C ATOM 2488 N1 DT C 22 10.930 -3.502 -4.990 1.00 1.06 N ATOM 2489 C2 DT C 22 11.488 -4.481 -4.196 1.00 0.86 C ATOM 2490 O2 DT C 22 12.115 -5.421 -4.654 1.00 0.87 O ATOM 2491 N3 DT C 22 11.292 -4.324 -2.839 1.00 0.72 N ATOM 2492 C4 DT C 22 10.602 -3.306 -2.220 1.00 0.82 C ATOM 2493 O4 DT C 22 10.491 -3.272 -0.992 1.00 0.82 O ATOM 2494 C5 DT C 22 10.048 -2.330 -3.130 1.00 1.04 C ATOM 2495 C7 DT C 22 9.296 -1.198 -2.499 1.00 1.21 C ATOM 2496 C6 DT C 22 10.226 -2.449 -4.461 1.00 1.13 C ATOM 0 H5' DT C 22 12.414 -0.292 -6.652 1.00 1.63 H new ATOM 0 H5'' DT C 22 11.703 0.221 -8.169 1.00 1.63 H new ATOM 0 H4' DT C 22 12.512 -1.778 -8.725 1.00 1.59 H new ATOM 0 H3' DT C 22 9.907 -1.850 -9.020 1.00 1.69 H new ATOM 0 H2' DT C 22 9.270 -2.498 -6.728 1.00 1.48 H new ATOM 0 H2'' DT C 22 9.270 -4.051 -7.539 1.00 1.48 H new ATOM 0 H1' DT C 22 11.289 -4.682 -6.674 1.00 1.26 H new ATOM 0 H3 DT C 22 11.700 -5.035 -2.232 1.00 0.72 H new ATOM 0 H71 DT C 22 8.841 -1.537 -1.568 1.00 1.21 H new ATOM 0 H72 DT C 22 9.982 -0.377 -2.290 1.00 1.21 H new ATOM 0 H73 DT C 22 8.517 -0.855 -3.180 1.00 1.21 H new ATOM 0 H6 DT C 22 9.808 -1.704 -5.122 1.00 1.13 H new ATOM 2509 P DA C 23 9.811 -4.760 -9.703 1.00 1.82 P ATOM 2510 OP1 DA C 23 9.910 -5.213 -11.104 1.00 2.06 O ATOM 2511 OP2 DA C 23 8.467 -4.328 -9.252 1.00 1.81 O ATOM 2512 O5' DA C 23 10.360 -5.893 -8.723 1.00 1.58 O ATOM 2513 C5' DA C 23 11.780 -6.186 -8.723 1.00 1.56 C ATOM 2514 C4' DA C 23 11.997 -7.659 -8.463 1.00 1.53 C ATOM 2515 O4' DA C 23 11.895 -7.901 -7.024 1.00 1.27 O ATOM 2516 C3' DA C 23 10.977 -8.614 -9.079 1.00 1.64 C ATOM 2517 O3' DA C 23 11.506 -9.923 -9.262 1.00 1.73 O ATOM 2518 C2' DA C 23 9.879 -8.660 -8.028 1.00 1.44 C ATOM 2519 C1' DA C 23 10.674 -8.554 -6.733 1.00 1.21 C ATOM 2520 N9 DA C 23 9.985 -7.774 -5.669 1.00 1.01 N ATOM 2521 C8 DA C 23 9.214 -6.651 -5.806 1.00 1.06 C ATOM 2522 N7 DA C 23 8.752 -6.198 -4.678 1.00 0.92 N ATOM 2523 C5 DA C 23 9.240 -7.089 -3.739 1.00 0.72 C ATOM 2524 C6 DA C 23 9.106 -7.159 -2.336 1.00 0.57 C ATOM 2525 N6 DA C 23 8.392 -6.273 -1.622 1.00 0.64 N ATOM 2526 N1 DA C 23 9.729 -8.167 -1.707 1.00 0.51 N ATOM 2527 C2 DA C 23 10.431 -9.038 -2.423 1.00 0.61 C ATOM 2528 N3 DA C 23 10.637 -9.078 -3.723 1.00 0.75 N ATOM 2529 C4 DA C 23 10.004 -8.055 -4.326 1.00 0.79 C ATOM 0 H5' DA C 23 12.283 -5.594 -7.958 1.00 1.56 H new ATOM 0 H5'' DA C 23 12.218 -5.908 -9.681 1.00 1.56 H new ATOM 0 H4' DA C 23 12.969 -7.862 -8.913 1.00 1.53 H new ATOM 0 H3' DA C 23 10.653 -8.283 -10.066 1.00 1.64 H new ATOM 0 H2' DA C 23 9.172 -7.838 -8.141 1.00 1.44 H new ATOM 0 H2'' DA C 23 9.304 -9.585 -8.079 1.00 1.44 H new ATOM 0 H1' DA C 23 10.809 -9.568 -6.356 1.00 1.21 H new ATOM 0 H8 DA C 23 9.009 -6.186 -6.759 1.00 1.06 H new ATOM 0 H61 DA C 23 8.327 -6.369 -0.609 1.00 0.64 H new ATOM 0 H62 DA C 23 7.915 -5.504 -2.093 1.00 0.64 H new ATOM 0 H2 DA C 23 10.901 -9.828 -1.857 1.00 0.61 H new ATOM 2541 P DT C 24 10.514 -11.171 -9.307 1.00 1.76 P ATOM 2542 OP1 DT C 24 11.062 -12.213 -10.197 1.00 2.00 O ATOM 2543 OP2 DT C 24 9.148 -10.695 -9.630 1.00 1.77 O ATOM 2544 O5' DT C 24 10.557 -11.667 -7.791 1.00 1.53 O ATOM 2545 C5' DT C 24 11.844 -11.804 -7.139 1.00 1.51 C ATOM 2546 C4' DT C 24 11.805 -12.964 -6.172 1.00 1.48 C ATOM 2547 O4' DT C 24 11.169 -12.515 -4.931 1.00 1.23 O ATOM 2548 C3' DT C 24 10.983 -14.178 -6.600 1.00 1.60 C ATOM 2549 O3' DT C 24 11.409 -15.372 -5.947 1.00 1.69 O ATOM 2550 C2' DT C 24 9.583 -13.822 -6.125 1.00 1.40 C ATOM 2551 C1' DT C 24 9.866 -13.058 -4.840 1.00 1.18 C ATOM 2552 N1 DT C 24 8.923 -11.936 -4.588 1.00 0.99 N ATOM 2553 C2 DT C 24 8.538 -11.714 -3.282 1.00 0.79 C ATOM 2554 O2 DT C 24 8.937 -12.394 -2.353 1.00 0.82 O ATOM 2555 N3 DT C 24 7.665 -10.662 -3.097 1.00 0.67 N ATOM 2556 C4 DT C 24 7.152 -9.837 -4.070 1.00 0.77 C ATOM 2557 O4 DT C 24 6.371 -8.921 -3.780 1.00 0.78 O ATOM 2558 C5 DT C 24 7.606 -10.145 -5.406 1.00 0.99 C ATOM 2559 C7 DT C 24 7.080 -9.266 -6.499 1.00 1.18 C ATOM 2560 C6 DT C 24 8.465 -11.161 -5.625 1.00 1.07 C ATOM 0 H5' DT C 24 12.093 -10.885 -6.609 1.00 1.51 H new ATOM 0 H5'' DT C 24 12.624 -11.965 -7.883 1.00 1.51 H new ATOM 0 H4' DT C 24 12.848 -13.272 -6.091 1.00 1.48 H new ATOM 0 H3' DT C 24 11.068 -14.373 -7.669 1.00 1.60 H new ATOM 0 H2' DT C 24 9.049 -13.211 -6.853 1.00 1.40 H new ATOM 0 H2'' DT C 24 8.976 -14.709 -5.946 1.00 1.40 H new ATOM 0 H1' DT C 24 9.754 -13.765 -4.018 1.00 1.18 H new ATOM 0 H3 DT C 24 7.369 -10.477 -2.139 1.00 0.67 H new ATOM 0 H71 DT C 24 6.089 -8.903 -6.228 1.00 1.18 H new ATOM 0 H72 DT C 24 7.751 -8.419 -6.639 1.00 1.18 H new ATOM 0 H73 DT C 24 7.017 -9.836 -7.426 1.00 1.18 H new ATOM 0 H6 DT C 24 8.798 -11.368 -6.631 1.00 1.07 H new ATOM 2573 P DA C 25 10.379 -16.576 -5.770 1.00 1.73 P ATOM 2574 OP1 DA C 25 11.102 -17.862 -5.810 1.00 1.96 O ATOM 2575 OP2 DA C 25 9.274 -16.423 -6.747 1.00 1.74 O ATOM 2576 O5' DA C 25 9.825 -16.305 -4.299 1.00 1.52 O ATOM 2577 C5' DA C 25 10.771 -16.012 -3.241 1.00 1.50 C ATOM 2578 C4' DA C 25 10.270 -16.586 -1.935 1.00 1.49 C ATOM 2579 O4' DA C 25 9.280 -15.670 -1.370 1.00 1.26 O ATOM 2580 C3' DA C 25 9.539 -17.926 -2.020 1.00 1.62 C ATOM 2581 O3' DA C 25 9.580 -18.640 -0.786 1.00 1.72 O ATOM 2582 C2' DA C 25 8.105 -17.511 -2.311 1.00 1.43 C ATOM 2583 C1' DA C 25 7.983 -16.216 -1.519 1.00 1.22 C ATOM 2584 N9 DA C 25 7.131 -15.190 -2.176 1.00 1.02 N ATOM 2585 C8 DA C 25 7.031 -14.899 -3.511 1.00 1.06 C ATOM 2586 N7 DA C 25 6.197 -13.938 -3.773 1.00 0.94 N ATOM 2587 C5 DA C 25 5.705 -13.577 -2.532 1.00 0.78 C ATOM 2588 C6 DA C 25 4.772 -12.602 -2.124 1.00 0.68 C ATOM 2589 N6 DA C 25 4.140 -11.788 -2.985 1.00 0.74 N ATOM 2590 N1 DA C 25 4.517 -12.499 -0.812 1.00 0.65 N ATOM 2591 C2 DA C 25 5.149 -13.312 0.032 1.00 0.74 C ATOM 2592 N3 DA C 25 6.036 -14.250 -0.218 1.00 0.84 N ATOM 2593 C4 DA C 25 6.271 -14.328 -1.540 1.00 0.85 C ATOM 0 H5' DA C 25 10.905 -14.934 -3.148 1.00 1.50 H new ATOM 0 H5'' DA C 25 11.746 -16.434 -3.485 1.00 1.50 H new ATOM 0 H4' DA C 25 11.177 -16.729 -1.348 1.00 1.49 H new ATOM 0 H3' DA C 25 9.983 -18.587 -2.764 1.00 1.62 H new ATOM 0 H2' DA C 25 7.933 -17.355 -3.376 1.00 1.43 H new ATOM 0 H2'' DA C 25 7.388 -18.261 -1.979 1.00 1.43 H new ATOM 0 H1' DA C 25 7.513 -16.466 -0.568 1.00 1.22 H new ATOM 0 H8 DA C 25 7.592 -15.419 -4.273 1.00 1.06 H new ATOM 0 H61 DA C 25 3.473 -11.098 -2.639 1.00 0.74 H new ATOM 0 H62 DA C 25 4.327 -11.859 -3.985 1.00 0.74 H new ATOM 0 H2 DA C 25 4.896 -13.182 1.074 1.00 0.74 H new ATOM 2605 P DT C 26 8.438 -19.703 -0.460 1.00 1.77 P ATOM 2606 OP1 DT C 26 8.995 -20.794 0.365 1.00 2.01 O ATOM 2607 OP2 DT C 26 7.781 -20.118 -1.723 1.00 1.77 O ATOM 2608 O5' DT C 26 7.424 -18.828 0.403 1.00 1.58 O ATOM 2609 C5' DT C 26 7.952 -17.999 1.469 1.00 1.57 C ATOM 2610 C4' DT C 26 6.961 -17.940 2.608 1.00 1.58 C ATOM 2611 O4' DT C 26 5.930 -16.952 2.282 1.00 1.35 O ATOM 2612 C3' DT C 26 6.177 -19.220 2.892 1.00 1.70 C ATOM 2613 O3' DT C 26 5.701 -19.271 4.235 1.00 1.82 O ATOM 2614 C2' DT C 26 4.994 -19.111 1.946 1.00 1.52 C ATOM 2615 C1' DT C 26 4.725 -17.611 1.943 1.00 1.32 C ATOM 2616 N1 DT C 26 4.275 -17.086 0.626 1.00 1.13 N ATOM 2617 C2 DT C 26 3.314 -16.096 0.638 1.00 0.98 C ATOM 2618 O2 DT C 26 2.837 -15.653 1.667 1.00 1.02 O ATOM 2619 N3 DT C 26 2.927 -15.636 -0.605 1.00 0.87 N ATOM 2620 C4 DT C 26 3.399 -16.069 -1.823 1.00 0.92 C ATOM 2621 O4 DT C 26 2.972 -15.579 -2.876 1.00 0.93 O ATOM 2622 C5 DT C 26 4.396 -17.106 -1.737 1.00 1.08 C ATOM 2623 C7 DT C 26 4.944 -17.603 -3.042 1.00 1.23 C ATOM 2624 C6 DT C 26 4.804 -17.575 -0.541 1.00 1.17 C ATOM 0 H5' DT C 26 8.152 -16.994 1.096 1.00 1.57 H new ATOM 0 H5'' DT C 26 8.901 -18.403 1.821 1.00 1.57 H new ATOM 0 H4' DT C 26 7.579 -17.717 3.478 1.00 1.58 H new ATOM 0 H3' DT C 26 6.789 -20.112 2.756 1.00 1.70 H new ATOM 0 H2' DT C 26 5.233 -19.484 0.950 1.00 1.52 H new ATOM 0 H2'' DT C 26 4.134 -19.679 2.302 1.00 1.52 H new ATOM 0 H1' DT C 26 3.921 -17.428 2.656 1.00 1.32 H new ATOM 0 H3 DT C 26 2.220 -14.901 -0.622 1.00 0.87 H new ATOM 0 H71 DT C 26 4.181 -17.512 -3.815 1.00 1.23 H new ATOM 0 H72 DT C 26 5.816 -17.010 -3.320 1.00 1.23 H new ATOM 0 H73 DT C 26 5.234 -18.649 -2.940 1.00 1.23 H new ATOM 0 H6 DT C 26 5.558 -18.347 -0.501 1.00 1.17 H new ATOM 2637 P DT C 27 4.417 -20.155 4.577 1.00 1.88 P ATOM 2638 OP1 DT C 27 4.527 -20.685 5.950 1.00 2.12 O ATOM 2639 OP2 DT C 27 4.220 -21.161 3.507 1.00 1.87 O ATOM 2640 O5' DT C 27 3.254 -19.067 4.502 1.00 1.69 O ATOM 2641 C5' DT C 27 3.444 -17.794 5.172 1.00 1.68 C ATOM 2642 C4' DT C 27 2.120 -17.298 5.706 1.00 1.69 C ATOM 2643 O4' DT C 27 1.383 -16.666 4.614 1.00 1.47 O ATOM 2644 C3' DT C 27 1.163 -18.358 6.245 1.00 1.82 C ATOM 2645 O3' DT C 27 0.233 -17.821 7.181 1.00 1.93 O ATOM 2646 C2' DT C 27 0.416 -18.804 4.997 1.00 1.65 C ATOM 2647 C1' DT C 27 0.320 -17.506 4.205 1.00 1.45 C ATOM 2648 N1 DT C 27 0.428 -17.694 2.733 1.00 1.27 N ATOM 2649 C2 DT C 27 -0.369 -16.898 1.936 1.00 1.14 C ATOM 2650 O2 DT C 27 -1.138 -16.068 2.391 1.00 1.18 O ATOM 2651 N3 DT C 27 -0.235 -17.103 0.577 1.00 1.03 N ATOM 2652 C4 DT C 27 0.596 -18.011 -0.039 1.00 1.07 C ATOM 2653 O4 DT C 27 0.629 -18.107 -1.270 1.00 1.06 O ATOM 2654 C5 DT C 27 1.386 -18.802 0.875 1.00 1.21 C ATOM 2655 C7 DT C 27 2.314 -19.799 0.247 1.00 1.33 C ATOM 2656 C6 DT C 27 1.288 -18.624 2.207 1.00 1.30 C ATOM 0 H5' DT C 27 3.863 -17.066 4.478 1.00 1.68 H new ATOM 0 H5'' DT C 27 4.158 -17.904 5.988 1.00 1.68 H new ATOM 0 H4' DT C 27 2.402 -16.646 6.532 1.00 1.69 H new ATOM 0 H3' DT C 27 1.691 -19.153 6.772 1.00 1.82 H new ATOM 0 H2' DT C 27 0.958 -19.576 4.451 1.00 1.65 H new ATOM 0 H2'' DT C 27 -0.567 -19.211 5.233 1.00 1.65 H new ATOM 0 H1' DT C 27 -0.663 -17.079 4.405 1.00 1.45 H new ATOM 0 H3 DT C 27 -0.811 -16.522 -0.033 1.00 1.03 H new ATOM 0 H71 DT C 27 1.894 -20.141 -0.699 1.00 1.33 H new ATOM 0 H72 DT C 27 3.282 -19.332 0.067 1.00 1.33 H new ATOM 0 H73 DT C 27 2.441 -20.650 0.916 1.00 1.33 H new ATOM 0 H6 DT C 27 1.895 -19.222 2.870 1.00 1.30 H new ATOM 2669 P DG C 28 -1.168 -18.548 7.399 1.00 1.99 P ATOM 2670 OP1 DG C 28 -1.614 -18.365 8.794 1.00 2.23 O ATOM 2671 OP2 DG C 28 -1.069 -19.950 6.927 1.00 1.99 O ATOM 2672 O5' DG C 28 -2.112 -17.723 6.412 1.00 1.81 O ATOM 2673 C5' DG C 28 -2.048 -16.275 6.437 1.00 1.79 C ATOM 2674 C4' DG C 28 -3.417 -15.699 6.159 1.00 1.80 C ATOM 2675 O4' DG C 28 -3.647 -15.715 4.713 1.00 1.60 O ATOM 2676 C3' DG C 28 -4.606 -16.465 6.737 1.00 1.93 C ATOM 2677 O3' DG C 28 -5.751 -15.633 6.908 1.00 2.04 O ATOM 2678 C2' DG C 28 -4.896 -17.500 5.661 1.00 1.78 C ATOM 2679 C1' DG C 28 -4.571 -16.734 4.386 1.00 1.59 C ATOM 2680 N9 DG C 28 -3.961 -17.576 3.320 1.00 1.43 N ATOM 2681 C8 DG C 28 -3.056 -18.608 3.435 1.00 1.44 C ATOM 2682 N7 DG C 28 -2.715 -19.150 2.294 1.00 1.33 N ATOM 2683 C5 DG C 28 -3.441 -18.425 1.347 1.00 1.24 C ATOM 2684 C6 DG C 28 -3.485 -18.550 -0.060 1.00 1.17 C ATOM 2685 O6 DG C 28 -2.883 -19.338 -0.789 1.00 1.18 O ATOM 2686 N1 DG C 28 -4.361 -17.610 -0.633 1.00 1.19 N ATOM 2687 C2 DG C 28 -5.096 -16.680 0.074 1.00 1.27 C ATOM 2688 N2 DG C 28 -5.877 -15.873 -0.651 1.00 1.35 N ATOM 2689 N3 DG C 28 -5.050 -16.558 1.398 1.00 1.33 N ATOM 2690 C4 DG C 28 -4.206 -17.457 1.972 1.00 1.31 C ATOM 0 H5' DG C 28 -1.336 -15.920 5.692 1.00 1.79 H new ATOM 0 H5'' DG C 28 -1.690 -15.934 7.408 1.00 1.79 H new ATOM 0 H4' DG C 28 -3.385 -14.715 6.627 1.00 1.80 H new ATOM 0 H3' DG C 28 -4.386 -16.877 7.722 1.00 1.93 H new ATOM 0 H2' DG C 28 -4.275 -18.389 5.772 1.00 1.78 H new ATOM 0 H2'' DG C 28 -5.934 -17.832 5.684 1.00 1.78 H new ATOM 0 H1' DG C 28 -5.513 -16.349 3.995 1.00 1.59 H new ATOM 0 H8 DG C 28 -2.662 -18.941 4.384 1.00 1.44 H new ATOM 0 H1 DG C 28 -4.460 -17.616 -1.648 1.00 1.19 H new ATOM 0 H21 DG C 28 -6.446 -15.164 -0.189 1.00 1.35 H new ATOM 0 H22 DG C 28 -5.904 -15.967 -1.666 1.00 1.35 H new ATOM 2702 P DT C 29 -7.203 -16.293 6.911 1.00 2.11 P ATOM 2703 OP1 DT C 29 -8.099 -15.520 7.795 1.00 2.33 O ATOM 2704 OP2 DT C 29 -7.082 -17.739 7.214 1.00 2.12 O ATOM 2705 O5' DT C 29 -7.640 -16.103 5.390 1.00 1.95 O ATOM 2706 C5' DT C 29 -7.445 -14.811 4.761 1.00 1.92 C ATOM 2707 C4' DT C 29 -8.558 -14.549 3.774 1.00 1.94 C ATOM 2708 O4' DT C 29 -8.253 -15.254 2.528 1.00 1.76 O ATOM 2709 C3' DT C 29 -9.944 -15.056 4.165 1.00 2.08 C ATOM 2710 O3' DT C 29 -10.985 -14.339 3.501 1.00 2.19 O ATOM 2711 C2' DT C 29 -9.933 -16.492 3.666 1.00 1.95 C ATOM 2712 C1' DT C 29 -9.095 -16.384 2.398 1.00 1.77 C ATOM 2713 N1 DT C 29 -8.231 -17.566 2.148 1.00 1.62 N ATOM 2714 C2 DT C 29 -8.083 -17.973 0.837 1.00 1.52 C ATOM 2715 O2 DT C 29 -8.624 -17.403 -0.095 1.00 1.57 O ATOM 2716 N3 DT C 29 -7.270 -19.075 0.650 1.00 1.43 N ATOM 2717 C4 DT C 29 -6.618 -19.790 1.626 1.00 1.45 C ATOM 2718 O4 DT C 29 -5.916 -20.765 1.336 1.00 1.42 O ATOM 2719 C5 DT C 29 -6.835 -19.296 2.965 1.00 1.56 C ATOM 2720 C7 DT C 29 -6.135 -20.041 4.063 1.00 1.65 C ATOM 2721 C6 DT C 29 -7.615 -18.218 3.186 1.00 1.64 C ATOM 0 H5' DT C 29 -6.482 -14.786 4.252 1.00 1.92 H new ATOM 0 H5'' DT C 29 -7.426 -14.027 5.518 1.00 1.92 H new ATOM 0 H4' DT C 29 -8.599 -13.462 3.710 1.00 1.94 H new ATOM 0 H3' DT C 29 -10.133 -14.944 5.233 1.00 2.08 H new ATOM 0 H2' DT C 29 -9.488 -17.172 4.392 1.00 1.95 H new ATOM 0 H2'' DT C 29 -10.938 -16.859 3.460 1.00 1.95 H new ATOM 0 HO3' DT C 29 -11.855 -14.695 3.777 1.00 2.19 H new ATOM 0 H1' DT C 29 -9.789 -16.308 1.561 1.00 1.77 H new ATOM 0 H3 DT C 29 -7.141 -19.390 -0.311 1.00 1.43 H new ATOM 0 H71 DT C 29 -6.020 -21.087 3.777 1.00 1.65 H new ATOM 0 H72 DT C 29 -5.152 -19.601 4.232 1.00 1.65 H new ATOM 0 H73 DT C 29 -6.723 -19.977 4.978 1.00 1.65 H new ATOM 0 H6 DT C 29 -7.757 -17.863 4.196 1.00 1.64 H new TER 2735 DT C 29