USER MOD reduce.3.24.130724 H: found=0, std=0, add=1241, rem=0, adj=39 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 63:sc= 0.495 USER MOD Set 1.2: B 6 DT C7 :methyl -30:sc= -5.66! (180deg=-7.09!) USER MOD Set 2.1: A 58 LYS NZ :NH3+ -149:sc= -0.521 (180deg=0.403) USER MOD Set 2.2: A 71 THR OG1 : rot -5:sc= 0.89! USER MOD Set 2.3: A 75 THR OG1 : rot -130:sc= -1.22 USER MOD Set 2.4: C 21 DT C7 :methyl 150:sc= -5.27! (180deg=-5.14!) USER MOD Set 2.5: C 22 DT C7 :methyl -30:sc= -4.21! (180deg=-5.41!) USER MOD Set 3.1: A 67 ASN : amide:sc= 0.616 K(o=1.9,f=-1.4) USER MOD Set 3.2: A 70 SER OG : rot 104:sc= 1.24 USER MOD Set 4.1: A 56 GLN :FLIP amide:sc= -0.35 F(o=-3.4!,f=-0.41) USER MOD Set 4.2: A 59 HIS :FLIP no HD1:sc= -0.0561 X(o=-0.72,f=-0.41) USER MOD Set 5.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 16 LYS NZ :NH3+ 175:sc= 1.32 (180deg=1.24) USER MOD Single : A 1 ARG N :NH3+ -160:sc= 1.09 (180deg=0.516) USER MOD Single : A 5 GLN : amide:sc= 1.23 K(o=1.2,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= 0.0167 USER MOD Single : A 15 MET CE :methyl 178:sc= -0.659 (180deg=-0.697) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 69:sc= 0.19 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 170:sc= -0.0187 (180deg=-0.175) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0.025) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0.014) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 163:sc= -0.2 (180deg=-0.801) USER MOD Single : A 40 GLN : amide:sc= 0.521 K(o=0.52,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.185 K(o=-0.19,f=-1.5!) USER MOD Single : A 44 LYS NZ :NH3+ -169:sc= 0.728 (180deg=0.562) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.3 USER MOD Single : A 50 THR OG1 : rot 91:sc= 0.563 USER MOD Single : A 52 THR OG1 : rot 79:sc= 0.61 USER MOD Single : A 61 TYR OH : rot 34:sc= 1.48 USER MOD Single : A 72 SER OG : rot -95:sc= 1.22 USER MOD Single : A 77 THR OG1 : rot -170:sc= -0.558 USER MOD Single : A 80 HIS : no HE2:sc= -3.99! C(o=-4!,f=-9.6!) USER MOD Single : A 81 TYR OH : rot 10:sc= 1.27 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -172:sc= 1.75 (180deg=1.52) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 167:sc= 0.298 (180deg=0.233) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 8 DT C7 :methyl -30:sc= -3.79! (180deg=-5.18!) USER MOD Single : B 13 DT C7 :methyl -30:sc= -3.78! (180deg=-5.11!) USER MOD Single : B 15 DG O3' : rot 180:sc= 0 USER MOD Single : C 24 DT C7 :methyl -30:sc= -3.78! (180deg=-5.06!) USER MOD Single : C 26 DT C7 :methyl -30:sc= -3.92! (180deg=-5.16!) USER MOD Single : C 27 DT C7 :methyl -30:sc= -4.22! (180deg=-5.06!) USER MOD Single : C 29 DT C7 :methyl -30:sc= -3.74! (180deg=-5.09!) USER MOD Single : C 29 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -15.002 9.832 11.481 1.00 1.75 N ATOM 2 CA ARG A 1 -15.194 8.359 11.596 1.00 1.74 C ATOM 3 C ARG A 1 -16.489 7.867 10.945 1.00 1.77 C ATOM 4 O ARG A 1 -16.464 7.045 10.019 1.00 1.74 O ATOM 5 CB ARG A 1 -15.034 7.900 13.066 1.00 1.77 C ATOM 6 CG ARG A 1 -15.016 6.371 13.264 1.00 1.77 C ATOM 7 CD ARG A 1 -16.386 5.808 13.670 1.00 1.83 C ATOM 8 NE ARG A 1 -16.363 4.339 13.731 1.00 1.84 N ATOM 9 CZ ARG A 1 -16.061 3.558 14.746 1.00 1.86 C ATOM 10 NH1 ARG A 1 -15.713 4.016 15.914 1.00 1.89 N ATOM 11 NH2 ARG A 1 -16.110 2.272 14.572 1.00 1.87 N ATOM 0 H1 ARG A 1 -13.998 10.063 11.621 1.00 1.75 H new ATOM 0 H2 ARG A 1 -15.302 10.149 10.537 1.00 1.75 H new ATOM 0 H3 ARG A 1 -15.572 10.314 12.205 1.00 1.75 H new ATOM 0 HA ARG A 1 -14.402 7.881 11.019 1.00 1.74 H new ATOM 0 HB2 ARG A 1 -14.108 8.315 13.464 1.00 1.77 H new ATOM 0 HB3 ARG A 1 -15.850 8.320 13.654 1.00 1.77 H new ATOM 0 HG2 ARG A 1 -14.691 5.893 12.340 1.00 1.77 H new ATOM 0 HG3 ARG A 1 -14.282 6.117 14.029 1.00 1.77 H new ATOM 0 HD2 ARG A 1 -16.673 6.210 14.642 1.00 1.83 H new ATOM 0 HD3 ARG A 1 -17.142 6.133 12.955 1.00 1.83 H new ATOM 0 HE ARG A 1 -16.616 3.859 12.867 1.00 1.84 H new ATOM 0 HH11 ARG A 1 -15.665 5.022 16.074 1.00 1.89 H new ATOM 0 HH12 ARG A 1 -15.488 3.369 16.669 1.00 1.89 H new ATOM 0 HH21 ARG A 1 -16.378 1.890 13.665 1.00 1.87 H new ATOM 0 HH22 ARG A 1 -15.881 1.644 15.342 1.00 1.87 H new ATOM 27 N ALA A 2 -17.636 8.328 11.453 1.00 1.84 N ATOM 28 CA ALA A 2 -18.939 7.769 11.078 1.00 1.89 C ATOM 29 C ALA A 2 -19.304 7.991 9.602 1.00 1.88 C ATOM 30 O ALA A 2 -19.854 7.098 8.962 1.00 1.89 O ATOM 31 CB ALA A 2 -20.004 8.353 12.013 1.00 1.97 C ATOM 0 H ALA A 2 -17.689 9.091 12.128 1.00 1.84 H new ATOM 0 HA ALA A 2 -18.887 6.686 11.191 1.00 1.89 H new ATOM 0 HB1 ALA A 2 -20.981 7.948 11.749 1.00 1.97 H new ATOM 0 HB2 ALA A 2 -19.768 8.088 13.044 1.00 1.97 H new ATOM 0 HB3 ALA A 2 -20.021 9.438 11.912 1.00 1.97 H new ATOM 37 N ASP A 3 -18.948 9.149 9.040 1.00 1.87 N ATOM 38 CA ASP A 3 -19.212 9.453 7.629 1.00 1.88 C ATOM 39 C ASP A 3 -18.295 8.680 6.665 1.00 1.81 C ATOM 40 O ASP A 3 -18.744 8.296 5.587 1.00 1.82 O ATOM 41 CB ASP A 3 -19.062 10.965 7.421 1.00 1.90 C ATOM 42 CG ASP A 3 -19.527 11.409 6.023 1.00 1.92 C ATOM 43 OD1 ASP A 3 -20.744 11.310 5.733 1.00 1.98 O ATOM 44 OD2 ASP A 3 -18.689 11.903 5.231 1.00 1.89 O ATOM 0 H ASP A 3 -18.473 9.897 9.544 1.00 1.87 H new ATOM 0 HA ASP A 3 -20.227 9.132 7.397 1.00 1.88 H new ATOM 0 HB2 ASP A 3 -19.640 11.493 8.179 1.00 1.90 H new ATOM 0 HB3 ASP A 3 -18.019 11.248 7.562 1.00 1.90 H new ATOM 49 N GLU A 4 -17.055 8.367 7.075 1.00 1.74 N ATOM 50 CA GLU A 4 -16.169 7.515 6.270 1.00 1.68 C ATOM 51 C GLU A 4 -16.731 6.094 6.241 1.00 1.69 C ATOM 52 O GLU A 4 -16.879 5.501 5.174 1.00 1.68 O ATOM 53 CB GLU A 4 -14.745 7.491 6.844 1.00 1.62 C ATOM 54 CG GLU A 4 -14.079 8.872 6.944 1.00 1.61 C ATOM 55 CD GLU A 4 -14.230 9.466 8.354 1.00 1.65 C ATOM 56 OE1 GLU A 4 -15.342 9.907 8.736 1.00 1.71 O ATOM 57 OE2 GLU A 4 -13.254 9.449 9.136 1.00 1.62 O ATOM 0 H GLU A 4 -16.647 8.689 7.953 1.00 1.74 H new ATOM 0 HA GLU A 4 -16.121 7.924 5.261 1.00 1.68 H new ATOM 0 HB2 GLU A 4 -14.774 7.042 7.837 1.00 1.62 H new ATOM 0 HB3 GLU A 4 -14.126 6.846 6.220 1.00 1.62 H new ATOM 0 HG2 GLU A 4 -13.021 8.787 6.695 1.00 1.61 H new ATOM 0 HG3 GLU A 4 -14.525 9.547 6.213 1.00 1.61 H new ATOM 64 N GLN A 5 -17.139 5.576 7.407 1.00 1.72 N ATOM 65 CA GLN A 5 -17.785 4.264 7.460 1.00 1.75 C ATOM 66 C GLN A 5 -19.081 4.223 6.634 1.00 1.81 C ATOM 67 O GLN A 5 -19.242 3.325 5.808 1.00 1.81 O ATOM 68 CB GLN A 5 -18.003 3.789 8.903 1.00 1.78 C ATOM 69 CG GLN A 5 -16.671 3.409 9.582 1.00 1.73 C ATOM 70 CD GLN A 5 -16.832 2.235 10.543 1.00 1.77 C ATOM 71 OE1 GLN A 5 -16.863 2.381 11.758 1.00 1.80 O ATOM 72 NE2 GLN A 5 -16.944 1.024 10.042 1.00 1.77 N ATOM 0 H GLN A 5 -17.035 6.038 8.310 1.00 1.72 H new ATOM 0 HA GLN A 5 -17.098 3.556 6.997 1.00 1.75 H new ATOM 0 HB2 GLN A 5 -18.493 4.576 9.476 1.00 1.78 H new ATOM 0 HB3 GLN A 5 -18.672 2.929 8.907 1.00 1.78 H new ATOM 0 HG2 GLN A 5 -15.935 3.154 8.819 1.00 1.73 H new ATOM 0 HG3 GLN A 5 -16.282 4.271 10.125 1.00 1.73 H new ATOM 0 HE21 GLN A 5 -16.920 0.886 9.032 1.00 1.77 H new ATOM 0 HE22 GLN A 5 -17.055 0.223 10.664 1.00 1.77 H new ATOM 81 N ALA A 6 -19.960 5.221 6.754 1.00 1.86 N ATOM 82 CA ALA A 6 -21.160 5.326 5.921 1.00 1.92 C ATOM 83 C ALA A 6 -20.827 5.342 4.416 1.00 1.90 C ATOM 84 O ALA A 6 -21.380 4.542 3.653 1.00 1.92 O ATOM 85 CB ALA A 6 -21.951 6.570 6.344 1.00 1.98 C ATOM 0 H ALA A 6 -19.860 5.978 7.430 1.00 1.86 H new ATOM 0 HA ALA A 6 -21.774 4.439 6.077 1.00 1.92 H new ATOM 0 HB1 ALA A 6 -22.847 6.658 5.730 1.00 1.98 H new ATOM 0 HB2 ALA A 6 -22.237 6.480 7.392 1.00 1.98 H new ATOM 0 HB3 ALA A 6 -21.332 7.457 6.211 1.00 1.98 H new ATOM 91 N PHE A 7 -19.871 6.172 3.979 1.00 1.85 N ATOM 92 CA PHE A 7 -19.480 6.226 2.569 1.00 1.83 C ATOM 93 C PHE A 7 -18.633 5.025 2.114 1.00 1.77 C ATOM 94 O PHE A 7 -18.589 4.760 0.907 1.00 1.78 O ATOM 95 CB PHE A 7 -18.916 7.611 2.188 1.00 1.82 C ATOM 96 CG PHE A 7 -17.442 7.943 2.393 1.00 1.75 C ATOM 97 CD1 PHE A 7 -16.442 7.269 1.662 1.00 1.69 C ATOM 98 CD2 PHE A 7 -17.077 9.075 3.153 1.00 1.75 C ATOM 99 CE1 PHE A 7 -15.106 7.696 1.719 1.00 1.63 C ATOM 100 CE2 PHE A 7 -15.736 9.492 3.225 1.00 1.69 C ATOM 101 CZ PHE A 7 -14.746 8.798 2.511 1.00 1.63 C ATOM 0 H PHE A 7 -19.356 6.813 4.582 1.00 1.85 H new ATOM 0 HA PHE A 7 -20.390 6.114 1.980 1.00 1.83 H new ATOM 0 HB2 PHE A 7 -19.134 7.764 1.131 1.00 1.82 H new ATOM 0 HB3 PHE A 7 -19.490 8.353 2.743 1.00 1.82 H new ATOM 0 HD1 PHE A 7 -16.706 6.417 1.053 1.00 1.69 H new ATOM 0 HD2 PHE A 7 -17.837 9.628 3.686 1.00 1.75 H new ATOM 0 HE1 PHE A 7 -14.351 7.174 1.150 1.00 1.63 H new ATOM 0 HE2 PHE A 7 -15.468 10.346 3.829 1.00 1.69 H new ATOM 0 HZ PHE A 7 -13.714 9.110 2.571 1.00 1.63 H new ATOM 111 N LEU A 8 -18.078 4.218 3.038 1.00 1.73 N ATOM 112 CA LEU A 8 -17.433 2.970 2.600 1.00 1.69 C ATOM 113 C LEU A 8 -18.408 1.784 2.654 1.00 1.75 C ATOM 114 O LEU A 8 -18.151 0.770 2.012 1.00 1.73 O ATOM 115 CB LEU A 8 -16.164 2.710 3.435 1.00 1.63 C ATOM 116 CG LEU A 8 -14.855 2.730 2.630 1.00 1.56 C ATOM 117 CD1 LEU A 8 -14.717 1.449 1.816 1.00 1.55 C ATOM 118 CD2 LEU A 8 -14.681 3.960 1.732 1.00 1.55 C ATOM 0 H LEU A 8 -18.062 4.395 4.042 1.00 1.73 H new ATOM 0 HA LEU A 8 -17.135 3.080 1.557 1.00 1.69 H new ATOM 0 HB2 LEU A 8 -16.103 3.461 4.223 1.00 1.63 H new ATOM 0 HB3 LEU A 8 -16.259 1.741 3.925 1.00 1.63 H new ATOM 0 HG LEU A 8 -14.054 2.793 3.367 1.00 1.56 H new ATOM 0 HD11 LEU A 8 -13.786 1.476 1.250 1.00 1.55 H new ATOM 0 HD12 LEU A 8 -14.709 0.590 2.487 1.00 1.55 H new ATOM 0 HD13 LEU A 8 -15.557 1.363 1.127 1.00 1.55 H new ATOM 0 HD21 LEU A 8 -13.731 3.892 1.201 1.00 1.55 H new ATOM 0 HD22 LEU A 8 -15.497 4.002 1.011 1.00 1.55 H new ATOM 0 HD23 LEU A 8 -14.690 4.862 2.344 1.00 1.55 H new ATOM 130 N VAL A 9 -19.545 1.906 3.354 1.00 1.81 N ATOM 131 CA VAL A 9 -20.653 0.939 3.226 1.00 1.87 C ATOM 132 C VAL A 9 -21.386 1.180 1.898 1.00 1.92 C ATOM 133 O VAL A 9 -21.728 0.228 1.190 1.00 1.94 O ATOM 134 CB VAL A 9 -21.606 1.014 4.438 1.00 1.93 C ATOM 135 CG1 VAL A 9 -22.923 0.250 4.225 1.00 2.01 C ATOM 136 CG2 VAL A 9 -20.932 0.400 5.673 1.00 1.91 C ATOM 0 H VAL A 9 -19.725 2.662 4.014 1.00 1.81 H new ATOM 0 HA VAL A 9 -20.248 -0.073 3.217 1.00 1.87 H new ATOM 0 HB VAL A 9 -21.830 2.072 4.571 1.00 1.93 H new ATOM 0 HG11 VAL A 9 -23.546 0.344 5.115 1.00 2.01 H new ATOM 0 HG12 VAL A 9 -23.451 0.667 3.367 1.00 2.01 H new ATOM 0 HG13 VAL A 9 -22.707 -0.803 4.042 1.00 2.01 H new ATOM 0 HG21 VAL A 9 -21.611 0.457 6.524 1.00 1.91 H new ATOM 0 HG22 VAL A 9 -20.687 -0.643 5.473 1.00 1.91 H new ATOM 0 HG23 VAL A 9 -20.019 0.950 5.900 1.00 1.91 H new ATOM 146 N ALA A 10 -21.542 2.447 1.501 1.00 1.93 N ATOM 147 CA ALA A 10 -22.021 2.793 0.163 1.00 1.97 C ATOM 148 C ALA A 10 -21.059 2.309 -0.941 1.00 1.92 C ATOM 149 O ALA A 10 -21.514 1.677 -1.904 1.00 1.96 O ATOM 150 CB ALA A 10 -22.245 4.309 0.097 1.00 1.99 C ATOM 0 H ALA A 10 -21.341 3.253 2.093 1.00 1.93 H new ATOM 0 HA ALA A 10 -22.965 2.280 -0.020 1.00 1.97 H new ATOM 0 HB1 ALA A 10 -22.603 4.581 -0.896 1.00 1.99 H new ATOM 0 HB2 ALA A 10 -22.986 4.600 0.842 1.00 1.99 H new ATOM 0 HB3 ALA A 10 -21.306 4.825 0.298 1.00 1.99 H new ATOM 156 N LEU A 11 -19.737 2.516 -0.780 1.00 1.84 N ATOM 157 CA LEU A 11 -18.766 1.880 -1.680 1.00 1.80 C ATOM 158 C LEU A 11 -18.856 0.358 -1.619 1.00 1.80 C ATOM 159 O LEU A 11 -18.839 -0.251 -2.676 1.00 1.82 O ATOM 160 CB LEU A 11 -17.317 2.320 -1.428 1.00 1.71 C ATOM 161 CG LEU A 11 -16.314 1.641 -2.399 1.00 1.67 C ATOM 162 CD1 LEU A 11 -16.538 1.981 -3.873 1.00 1.71 C ATOM 163 CD2 LEU A 11 -14.894 2.067 -2.061 1.00 1.59 C ATOM 0 H LEU A 11 -19.329 3.104 -0.053 1.00 1.84 H new ATOM 0 HA LEU A 11 -19.040 2.220 -2.679 1.00 1.80 H new ATOM 0 HB2 LEU A 11 -17.245 3.402 -1.535 1.00 1.71 H new ATOM 0 HB3 LEU A 11 -17.041 2.082 -0.401 1.00 1.71 H new ATOM 0 HG LEU A 11 -16.475 0.571 -2.267 1.00 1.67 H new ATOM 0 HD11 LEU A 11 -15.795 1.466 -4.482 1.00 1.71 H new ATOM 0 HD12 LEU A 11 -17.537 1.663 -4.172 1.00 1.71 H new ATOM 0 HD13 LEU A 11 -16.442 3.057 -4.017 1.00 1.71 H new ATOM 0 HD21 LEU A 11 -14.197 1.586 -2.747 1.00 1.59 H new ATOM 0 HD22 LEU A 11 -14.807 3.149 -2.155 1.00 1.59 H new ATOM 0 HD23 LEU A 11 -14.659 1.771 -1.039 1.00 1.59 H new ATOM 175 N TYR A 12 -18.972 -0.275 -0.449 1.00 1.80 N ATOM 176 CA TYR A 12 -19.085 -1.734 -0.345 1.00 1.81 C ATOM 177 C TYR A 12 -20.224 -2.276 -1.212 1.00 1.89 C ATOM 178 O TYR A 12 -20.002 -3.218 -1.976 1.00 1.89 O ATOM 179 CB TYR A 12 -19.241 -2.177 1.117 1.00 1.82 C ATOM 180 CG TYR A 12 -19.688 -3.618 1.294 1.00 1.86 C ATOM 181 CD1 TYR A 12 -18.920 -4.671 0.759 1.00 1.84 C ATOM 182 CD2 TYR A 12 -20.912 -3.899 1.938 1.00 1.94 C ATOM 183 CE1 TYR A 12 -19.376 -6.001 0.856 1.00 1.89 C ATOM 184 CE2 TYR A 12 -21.365 -5.227 2.045 1.00 1.99 C ATOM 185 CZ TYR A 12 -20.601 -6.282 1.501 1.00 1.96 C ATOM 186 OH TYR A 12 -21.045 -7.567 1.587 1.00 2.02 O ATOM 0 H TYR A 12 -18.990 0.206 0.450 1.00 1.80 H new ATOM 0 HA TYR A 12 -18.156 -2.159 -0.725 1.00 1.81 H new ATOM 0 HB2 TYR A 12 -18.288 -2.040 1.629 1.00 1.82 H new ATOM 0 HB3 TYR A 12 -19.963 -1.523 1.607 1.00 1.82 H new ATOM 0 HD1 TYR A 12 -17.979 -4.458 0.273 1.00 1.84 H new ATOM 0 HD2 TYR A 12 -21.502 -3.093 2.349 1.00 1.94 H new ATOM 0 HE1 TYR A 12 -18.789 -6.805 0.437 1.00 1.89 H new ATOM 0 HE2 TYR A 12 -22.299 -5.439 2.544 1.00 1.99 H new ATOM 0 HH TYR A 12 -21.902 -7.586 2.062 1.00 2.02 H new ATOM 196 N LYS A 13 -21.404 -1.639 -1.175 1.00 1.95 N ATOM 197 CA LYS A 13 -22.494 -1.977 -2.100 1.00 2.03 C ATOM 198 C LYS A 13 -22.087 -1.753 -3.558 1.00 2.02 C ATOM 199 O LYS A 13 -22.125 -2.714 -4.332 1.00 2.05 O ATOM 200 CB LYS A 13 -23.772 -1.222 -1.696 1.00 2.10 C ATOM 201 CG LYS A 13 -24.989 -1.668 -2.524 1.00 2.18 C ATOM 202 CD LYS A 13 -26.287 -0.944 -2.128 1.00 2.25 C ATOM 203 CE LYS A 13 -26.749 -1.307 -0.710 1.00 2.27 C ATOM 204 NZ LYS A 13 -28.050 -0.665 -0.379 1.00 2.34 N ATOM 0 H LYS A 13 -21.626 -0.891 -0.518 1.00 1.95 H new ATOM 0 HA LYS A 13 -22.712 -3.042 -2.026 1.00 2.03 H new ATOM 0 HB2 LYS A 13 -23.973 -1.389 -0.638 1.00 2.10 H new ATOM 0 HB3 LYS A 13 -23.617 -0.151 -1.826 1.00 2.10 H new ATOM 0 HG2 LYS A 13 -24.788 -1.489 -3.580 1.00 2.18 H new ATOM 0 HG3 LYS A 13 -25.128 -2.742 -2.404 1.00 2.18 H new ATOM 0 HD2 LYS A 13 -26.133 0.133 -2.193 1.00 2.25 H new ATOM 0 HD3 LYS A 13 -27.073 -1.197 -2.839 1.00 2.25 H new ATOM 0 HE2 LYS A 13 -26.844 -2.389 -0.623 1.00 2.27 H new ATOM 0 HE3 LYS A 13 -25.994 -0.994 0.011 1.00 2.27 H new ATOM 0 HZ1 LYS A 13 -28.333 -0.931 0.586 1.00 2.34 H new ATOM 0 HZ2 LYS A 13 -27.952 0.369 -0.438 1.00 2.34 H new ATOM 0 HZ3 LYS A 13 -28.776 -0.983 -1.053 1.00 2.34 H new ATOM 218 N TYR A 14 -21.640 -0.551 -3.944 1.00 2.00 N ATOM 219 CA TYR A 14 -21.203 -0.335 -5.330 1.00 2.00 C ATOM 220 C TYR A 14 -20.089 -1.273 -5.833 1.00 1.95 C ATOM 221 O TYR A 14 -20.165 -1.757 -6.960 1.00 1.99 O ATOM 222 CB TYR A 14 -20.777 1.135 -5.465 1.00 1.98 C ATOM 223 CG TYR A 14 -20.574 1.591 -6.896 1.00 2.01 C ATOM 224 CD1 TYR A 14 -21.693 1.928 -7.683 1.00 2.10 C ATOM 225 CD2 TYR A 14 -19.278 1.672 -7.445 1.00 1.96 C ATOM 226 CE1 TYR A 14 -21.523 2.341 -9.017 1.00 2.14 C ATOM 227 CE2 TYR A 14 -19.104 2.077 -8.784 1.00 1.99 C ATOM 228 CZ TYR A 14 -20.228 2.412 -9.572 1.00 2.09 C ATOM 229 OH TYR A 14 -20.057 2.769 -10.876 1.00 2.13 O ATOM 0 H TYR A 14 -21.572 0.266 -3.337 1.00 2.00 H new ATOM 0 HA TYR A 14 -22.052 -0.578 -5.969 1.00 2.00 H new ATOM 0 HB2 TYR A 14 -21.533 1.766 -4.998 1.00 1.98 H new ATOM 0 HB3 TYR A 14 -19.850 1.286 -4.912 1.00 1.98 H new ATOM 0 HD1 TYR A 14 -22.685 1.869 -7.260 1.00 2.10 H new ATOM 0 HD2 TYR A 14 -18.419 1.424 -6.840 1.00 1.96 H new ATOM 0 HE1 TYR A 14 -22.383 2.603 -9.616 1.00 2.14 H new ATOM 0 HE2 TYR A 14 -18.112 2.131 -9.207 1.00 1.99 H new ATOM 0 HH TYR A 14 -19.101 2.768 -11.093 1.00 2.13 H new ATOM 239 N MET A 15 -19.076 -1.577 -5.017 1.00 1.88 N ATOM 240 CA MET A 15 -17.957 -2.428 -5.414 1.00 1.83 C ATOM 241 C MET A 15 -18.348 -3.912 -5.441 1.00 1.86 C ATOM 242 O MET A 15 -17.869 -4.647 -6.308 1.00 1.86 O ATOM 243 CB MET A 15 -16.685 -2.112 -4.618 1.00 1.74 C ATOM 244 CG MET A 15 -16.659 -2.620 -3.177 1.00 1.72 C ATOM 245 SD MET A 15 -15.315 -1.949 -2.153 1.00 1.62 S ATOM 246 CE MET A 15 -13.860 -2.217 -3.207 1.00 1.57 C ATOM 0 H MET A 15 -19.011 -1.237 -4.058 1.00 1.88 H new ATOM 0 HA MET A 15 -17.702 -2.190 -6.447 1.00 1.83 H new ATOM 0 HB2 MET A 15 -15.832 -2.536 -5.148 1.00 1.74 H new ATOM 0 HB3 MET A 15 -16.546 -1.031 -4.605 1.00 1.74 H new ATOM 0 HG2 MET A 15 -17.611 -2.378 -2.705 1.00 1.72 H new ATOM 0 HG3 MET A 15 -16.577 -3.707 -3.192 1.00 1.72 H new ATOM 0 HE1 MET A 15 -12.974 -1.818 -2.713 1.00 1.57 H new ATOM 0 HE2 MET A 15 -13.728 -3.285 -3.381 1.00 1.57 H new ATOM 0 HE3 MET A 15 -14.003 -1.709 -4.161 1.00 1.57 H new ATOM 256 N LYS A 16 -19.290 -4.359 -4.589 1.00 1.90 N ATOM 257 CA LYS A 16 -19.899 -5.694 -4.727 1.00 1.96 C ATOM 258 C LYS A 16 -20.700 -5.807 -6.033 1.00 2.03 C ATOM 259 O LYS A 16 -20.585 -6.809 -6.735 1.00 2.05 O ATOM 260 CB LYS A 16 -20.738 -5.997 -3.476 1.00 1.99 C ATOM 261 CG LYS A 16 -21.277 -7.434 -3.471 1.00 2.05 C ATOM 262 CD LYS A 16 -21.642 -7.875 -2.047 1.00 2.07 C ATOM 263 CE LYS A 16 -22.226 -9.291 -2.065 1.00 2.13 C ATOM 264 NZ LYS A 16 -22.266 -9.870 -0.700 1.00 2.15 N ATOM 0 H LYS A 16 -19.644 -3.817 -3.801 1.00 1.90 H new ATOM 0 HA LYS A 16 -19.118 -6.452 -4.796 1.00 1.96 H new ATOM 0 HB2 LYS A 16 -20.130 -5.836 -2.586 1.00 1.99 H new ATOM 0 HB3 LYS A 16 -21.573 -5.298 -3.423 1.00 1.99 H new ATOM 0 HG2 LYS A 16 -22.155 -7.500 -4.113 1.00 2.05 H new ATOM 0 HG3 LYS A 16 -20.528 -8.109 -3.885 1.00 2.05 H new ATOM 0 HD2 LYS A 16 -20.757 -7.847 -1.412 1.00 2.07 H new ATOM 0 HD3 LYS A 16 -22.365 -7.181 -1.618 1.00 2.07 H new ATOM 0 HE2 LYS A 16 -23.232 -9.267 -2.483 1.00 2.13 H new ATOM 0 HE3 LYS A 16 -21.626 -9.927 -2.716 1.00 2.13 H new ATOM 0 HZ1 LYS A 16 -22.743 -10.794 -0.729 1.00 2.15 H new ATOM 0 HZ2 LYS A 16 -21.296 -9.992 -0.346 1.00 2.15 H new ATOM 0 HZ3 LYS A 16 -22.788 -9.231 -0.067 1.00 2.15 H new ATOM 278 N GLU A 17 -21.391 -4.734 -6.426 1.00 2.07 N ATOM 279 CA GLU A 17 -22.015 -4.626 -7.763 1.00 2.13 C ATOM 280 C GLU A 17 -20.989 -4.436 -8.917 1.00 2.10 C ATOM 281 O GLU A 17 -21.370 -4.357 -10.087 1.00 2.16 O ATOM 282 CB GLU A 17 -23.057 -3.490 -7.713 1.00 2.18 C ATOM 283 CG GLU A 17 -24.141 -3.586 -8.795 1.00 2.27 C ATOM 284 CD GLU A 17 -25.251 -2.543 -8.560 1.00 2.33 C ATOM 285 OE1 GLU A 17 -25.143 -1.404 -9.078 1.00 2.34 O ATOM 286 OE2 GLU A 17 -26.250 -2.858 -7.869 1.00 2.37 O ATOM 0 H GLU A 17 -21.538 -3.915 -5.836 1.00 2.07 H new ATOM 0 HA GLU A 17 -22.503 -5.572 -7.997 1.00 2.13 H new ATOM 0 HB2 GLU A 17 -23.535 -3.493 -6.734 1.00 2.18 H new ATOM 0 HB3 GLU A 17 -22.542 -2.535 -7.813 1.00 2.18 H new ATOM 0 HG2 GLU A 17 -23.694 -3.431 -9.777 1.00 2.27 H new ATOM 0 HG3 GLU A 17 -24.572 -4.587 -8.795 1.00 2.27 H new ATOM 293 N ARG A 18 -19.684 -4.387 -8.600 1.00 2.02 N ATOM 294 CA ARG A 18 -18.596 -4.335 -9.606 1.00 1.99 C ATOM 295 C ARG A 18 -17.644 -5.544 -9.505 1.00 1.95 C ATOM 296 O ARG A 18 -16.513 -5.493 -9.994 1.00 1.90 O ATOM 297 CB ARG A 18 -17.882 -2.959 -9.563 1.00 1.94 C ATOM 298 CG ARG A 18 -18.496 -1.921 -10.521 1.00 2.01 C ATOM 299 CD ARG A 18 -19.790 -1.274 -10.016 1.00 2.06 C ATOM 300 NE ARG A 18 -20.453 -0.502 -11.083 1.00 2.13 N ATOM 301 CZ ARG A 18 -21.378 -0.937 -11.923 1.00 2.22 C ATOM 302 NH1 ARG A 18 -21.838 -2.158 -11.902 1.00 2.24 N ATOM 303 NH2 ARG A 18 -21.860 -0.134 -12.827 1.00 2.28 N ATOM 0 H ARG A 18 -19.347 -4.382 -7.637 1.00 2.02 H new ATOM 0 HA ARG A 18 -19.038 -4.423 -10.598 1.00 1.99 H new ATOM 0 HB2 ARG A 18 -17.920 -2.570 -8.545 1.00 1.94 H new ATOM 0 HB3 ARG A 18 -16.830 -3.096 -9.813 1.00 1.94 H new ATOM 0 HG2 ARG A 18 -17.761 -1.137 -10.706 1.00 2.01 H new ATOM 0 HG3 ARG A 18 -18.696 -2.403 -11.478 1.00 2.01 H new ATOM 0 HD2 ARG A 18 -20.466 -2.046 -9.649 1.00 2.06 H new ATOM 0 HD3 ARG A 18 -19.567 -0.618 -9.174 1.00 2.06 H new ATOM 0 HE ARG A 18 -20.168 0.472 -11.184 1.00 2.13 H new ATOM 0 HH11 ARG A 18 -21.484 -2.825 -11.216 1.00 2.24 H new ATOM 0 HH12 ARG A 18 -22.552 -2.446 -12.571 1.00 2.24 H new ATOM 0 HH21 ARG A 18 -21.524 0.827 -12.886 1.00 2.28 H new ATOM 0 HH22 ARG A 18 -22.573 -0.466 -13.476 1.00 2.28 H new ATOM 317 N LYS A 19 -18.101 -6.650 -8.893 1.00 1.97 N ATOM 318 CA LYS A 19 -17.400 -7.948 -8.753 1.00 1.95 C ATOM 319 C LYS A 19 -16.111 -7.826 -7.931 1.00 1.86 C ATOM 320 O LYS A 19 -15.213 -8.670 -8.017 1.00 1.84 O ATOM 321 CB LYS A 19 -17.196 -8.621 -10.130 1.00 1.99 C ATOM 322 CG LYS A 19 -18.509 -8.799 -10.912 1.00 2.09 C ATOM 323 CD LYS A 19 -18.262 -9.492 -12.259 1.00 2.13 C ATOM 324 CE LYS A 19 -19.579 -9.622 -13.035 1.00 2.22 C ATOM 325 NZ LYS A 19 -19.374 -10.266 -14.359 1.00 2.27 N ATOM 0 H LYS A 19 -19.022 -6.668 -8.456 1.00 1.97 H new ATOM 0 HA LYS A 19 -18.041 -8.616 -8.177 1.00 1.95 H new ATOM 0 HB2 LYS A 19 -16.505 -8.021 -10.723 1.00 1.99 H new ATOM 0 HB3 LYS A 19 -16.730 -9.596 -9.986 1.00 1.99 H new ATOM 0 HG2 LYS A 19 -19.211 -9.387 -10.321 1.00 2.09 H new ATOM 0 HG3 LYS A 19 -18.970 -7.826 -11.080 1.00 2.09 H new ATOM 0 HD2 LYS A 19 -17.541 -8.921 -12.844 1.00 2.13 H new ATOM 0 HD3 LYS A 19 -17.829 -10.479 -12.095 1.00 2.13 H new ATOM 0 HE2 LYS A 19 -20.289 -10.207 -12.451 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -20.019 -8.634 -13.175 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -20.285 -10.337 -14.855 1.00 2.27 H new ATOM 0 HZ2 LYS A 19 -18.715 -9.694 -14.925 1.00 2.27 H new ATOM 0 HZ3 LYS A 19 -18.978 -11.218 -14.224 1.00 2.27 H new ATOM 339 N THR A 20 -16.052 -6.779 -7.104 1.00 1.82 N ATOM 340 CA THR A 20 -14.868 -6.463 -6.305 1.00 1.73 C ATOM 341 C THR A 20 -15.262 -6.090 -4.864 1.00 1.72 C ATOM 342 O THR A 20 -14.948 -4.991 -4.415 1.00 1.68 O ATOM 343 CB THR A 20 -14.005 -5.371 -6.991 1.00 1.69 C ATOM 344 OG1 THR A 20 -13.836 -5.637 -8.369 1.00 1.72 O ATOM 345 CG2 THR A 20 -12.584 -5.284 -6.426 1.00 1.61 C ATOM 0 H THR A 20 -16.825 -6.127 -6.970 1.00 1.82 H new ATOM 0 HA THR A 20 -14.246 -7.356 -6.241 1.00 1.73 H new ATOM 0 HB THR A 20 -14.550 -4.445 -6.809 1.00 1.69 H new ATOM 0 HG1 THR A 20 -14.691 -5.517 -8.833 1.00 1.72 H new ATOM 0 HG21 THR A 20 -12.032 -4.502 -6.948 1.00 1.61 H new ATOM 0 HG22 THR A 20 -12.629 -5.049 -5.363 1.00 1.61 H new ATOM 0 HG23 THR A 20 -12.078 -6.239 -6.565 1.00 1.61 H new ATOM 353 N PRO A 21 -16.004 -6.942 -4.124 1.00 1.76 N ATOM 354 CA PRO A 21 -16.438 -6.641 -2.754 1.00 1.76 C ATOM 355 C PRO A 21 -15.262 -6.563 -1.763 1.00 1.69 C ATOM 356 O PRO A 21 -14.213 -7.169 -1.974 1.00 1.66 O ATOM 357 CB PRO A 21 -17.393 -7.782 -2.384 1.00 1.84 C ATOM 358 CG PRO A 21 -16.874 -8.961 -3.203 1.00 1.85 C ATOM 359 CD PRO A 21 -16.429 -8.286 -4.497 1.00 1.82 C ATOM 0 HA PRO A 21 -16.914 -5.662 -2.701 1.00 1.76 H new ATOM 0 HB2 PRO A 21 -17.369 -7.994 -1.315 1.00 1.84 H new ATOM 0 HB3 PRO A 21 -18.425 -7.540 -2.638 1.00 1.84 H new ATOM 0 HG2 PRO A 21 -16.049 -9.470 -2.705 1.00 1.85 H new ATOM 0 HG3 PRO A 21 -17.649 -9.707 -3.379 1.00 1.85 H new ATOM 0 HD2 PRO A 21 -15.613 -8.838 -4.964 1.00 1.82 H new ATOM 0 HD3 PRO A 21 -17.245 -8.251 -5.219 1.00 1.82 H new ATOM 367 N ILE A 22 -15.474 -5.911 -0.613 1.00 1.68 N ATOM 368 CA ILE A 22 -14.514 -5.968 0.520 1.00 1.64 C ATOM 369 C ILE A 22 -14.321 -7.426 1.015 1.00 1.67 C ATOM 370 O ILE A 22 -13.279 -7.788 1.552 1.00 1.64 O ATOM 371 CB ILE A 22 -14.963 -4.975 1.626 1.00 1.64 C ATOM 372 CG1 ILE A 22 -14.896 -3.537 1.072 1.00 1.61 C ATOM 373 CG2 ILE A 22 -14.112 -5.099 2.906 1.00 1.61 C ATOM 374 CD1 ILE A 22 -15.388 -2.443 2.027 1.00 1.62 C ATOM 0 H ILE A 22 -16.297 -5.336 -0.433 1.00 1.68 H new ATOM 0 HA ILE A 22 -13.525 -5.649 0.192 1.00 1.64 H new ATOM 0 HB ILE A 22 -15.987 -5.221 1.906 1.00 1.64 H new ATOM 0 HG12 ILE A 22 -13.864 -3.319 0.797 1.00 1.61 H new ATOM 0 HG13 ILE A 22 -15.486 -3.490 0.157 1.00 1.61 H new ATOM 0 HG21 ILE A 22 -14.466 -4.384 3.649 1.00 1.61 H new ATOM 0 HG22 ILE A 22 -14.200 -6.110 3.305 1.00 1.61 H new ATOM 0 HG23 ILE A 22 -13.068 -4.891 2.670 1.00 1.61 H new ATOM 0 HD11 ILE A 22 -15.299 -1.471 1.543 1.00 1.62 H new ATOM 0 HD12 ILE A 22 -16.431 -2.627 2.284 1.00 1.62 H new ATOM 0 HD13 ILE A 22 -14.784 -2.453 2.934 1.00 1.62 H new ATOM 386 N GLU A 23 -15.311 -8.277 0.725 1.00 1.74 N ATOM 387 CA GLU A 23 -15.195 -9.740 0.893 1.00 1.78 C ATOM 388 C GLU A 23 -13.987 -10.399 0.168 1.00 1.75 C ATOM 389 O GLU A 23 -13.650 -11.542 0.491 1.00 1.78 O ATOM 390 CB GLU A 23 -16.506 -10.436 0.491 1.00 1.87 C ATOM 391 CG GLU A 23 -17.702 -9.994 1.343 1.00 1.91 C ATOM 392 CD GLU A 23 -18.955 -10.820 1.002 1.00 2.00 C ATOM 393 OE1 GLU A 23 -19.666 -10.469 0.031 1.00 2.02 O ATOM 394 OE2 GLU A 23 -19.239 -11.824 1.701 1.00 2.06 O ATOM 0 H GLU A 23 -16.218 -7.977 0.367 1.00 1.74 H new ATOM 0 HA GLU A 23 -15.000 -9.884 1.956 1.00 1.78 H new ATOM 0 HB2 GLU A 23 -16.716 -10.226 -0.558 1.00 1.87 H new ATOM 0 HB3 GLU A 23 -16.381 -11.515 0.581 1.00 1.87 H new ATOM 0 HG2 GLU A 23 -17.463 -10.109 2.400 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -17.902 -8.936 1.175 1.00 1.91 H new ATOM 401 N ARG A 24 -13.287 -9.700 -0.752 1.00 1.69 N ATOM 402 CA ARG A 24 -12.003 -10.130 -1.365 1.00 1.65 C ATOM 403 C ARG A 24 -10.790 -9.256 -0.975 1.00 1.57 C ATOM 404 O ARG A 24 -9.716 -9.387 -1.563 1.00 1.53 O ATOM 405 CB ARG A 24 -12.168 -10.338 -2.889 1.00 1.67 C ATOM 406 CG ARG A 24 -11.984 -9.085 -3.771 1.00 1.62 C ATOM 407 CD ARG A 24 -12.453 -9.312 -5.218 1.00 1.67 C ATOM 408 NE ARG A 24 -11.638 -10.314 -5.930 1.00 1.67 N ATOM 409 CZ ARG A 24 -11.837 -10.774 -7.156 1.00 1.72 C ATOM 410 NH1 ARG A 24 -12.828 -10.387 -7.912 1.00 1.77 N ATOM 411 NH2 ARG A 24 -11.019 -11.653 -7.658 1.00 1.72 N ATOM 0 H ARG A 24 -13.605 -8.796 -1.101 1.00 1.69 H new ATOM 0 HA ARG A 24 -11.753 -11.100 -0.934 1.00 1.65 H new ATOM 0 HB2 ARG A 24 -11.451 -11.093 -3.212 1.00 1.67 H new ATOM 0 HB3 ARG A 24 -13.162 -10.744 -3.074 1.00 1.67 H new ATOM 0 HG2 ARG A 24 -12.541 -8.254 -3.338 1.00 1.62 H new ATOM 0 HG3 ARG A 24 -10.933 -8.797 -3.774 1.00 1.62 H new ATOM 0 HD2 ARG A 24 -13.494 -9.635 -5.212 1.00 1.67 H new ATOM 0 HD3 ARG A 24 -12.415 -8.367 -5.760 1.00 1.67 H new ATOM 0 HE ARG A 24 -10.837 -10.693 -5.425 1.00 1.67 H new ATOM 0 HH11 ARG A 24 -13.495 -9.698 -7.565 1.00 1.77 H new ATOM 0 HH12 ARG A 24 -12.935 -10.774 -8.850 1.00 1.77 H new ATOM 0 HH21 ARG A 24 -10.227 -11.986 -7.108 1.00 1.72 H new ATOM 0 HH22 ARG A 24 -11.170 -12.009 -8.602 1.00 1.72 H new ATOM 425 N ILE A 25 -10.947 -8.393 0.033 1.00 1.55 N ATOM 426 CA ILE A 25 -9.957 -7.425 0.541 1.00 1.48 C ATOM 427 C ILE A 25 -9.841 -7.602 2.076 1.00 1.49 C ATOM 428 O ILE A 25 -10.403 -6.818 2.847 1.00 1.50 O ATOM 429 CB ILE A 25 -10.320 -5.973 0.124 1.00 1.45 C ATOM 430 CG1 ILE A 25 -10.736 -5.842 -1.362 1.00 1.46 C ATOM 431 CG2 ILE A 25 -9.098 -5.076 0.403 1.00 1.37 C ATOM 432 CD1 ILE A 25 -11.190 -4.432 -1.761 1.00 1.45 C ATOM 0 H ILE A 25 -11.823 -8.345 0.553 1.00 1.55 H new ATOM 0 HA ILE A 25 -8.981 -7.618 0.097 1.00 1.48 H new ATOM 0 HB ILE A 25 -11.188 -5.666 0.708 1.00 1.45 H new ATOM 0 HG12 ILE A 25 -9.895 -6.133 -1.991 1.00 1.46 H new ATOM 0 HG13 ILE A 25 -11.545 -6.544 -1.566 1.00 1.46 H new ATOM 0 HG21 ILE A 25 -9.328 -4.049 0.118 1.00 1.37 H new ATOM 0 HG22 ILE A 25 -8.855 -5.112 1.465 1.00 1.37 H new ATOM 0 HG23 ILE A 25 -8.246 -5.431 -0.177 1.00 1.37 H new ATOM 0 HD11 ILE A 25 -11.464 -4.423 -2.816 1.00 1.45 H new ATOM 0 HD12 ILE A 25 -12.052 -4.143 -1.159 1.00 1.45 H new ATOM 0 HD13 ILE A 25 -10.377 -3.726 -1.592 1.00 1.45 H new ATOM 444 N PRO A 26 -9.360 -8.791 2.520 1.00 1.53 N ATOM 445 CA PRO A 26 -9.326 -9.178 3.953 1.00 1.57 C ATOM 446 C PRO A 26 -8.481 -8.365 4.940 1.00 1.52 C ATOM 447 O PRO A 26 -8.883 -8.251 6.101 1.00 1.50 O ATOM 448 CB PRO A 26 -8.832 -10.632 3.925 1.00 1.62 C ATOM 449 CG PRO A 26 -8.145 -10.786 2.621 1.00 1.59 C ATOM 450 CD PRO A 26 -8.880 -9.892 1.663 1.00 1.55 C ATOM 0 HA PRO A 26 -10.324 -8.995 4.351 1.00 1.57 H new ATOM 0 HB2 PRO A 26 -8.153 -10.833 4.754 1.00 1.62 H new ATOM 0 HB3 PRO A 26 -9.663 -11.332 4.017 1.00 1.62 H new ATOM 0 HG2 PRO A 26 -7.096 -10.500 2.696 1.00 1.59 H new ATOM 0 HG3 PRO A 26 -8.170 -11.823 2.286 1.00 1.59 H new ATOM 0 HD2 PRO A 26 -8.226 -9.528 0.871 1.00 1.55 H new ATOM 0 HD3 PRO A 26 -9.706 -10.414 1.180 1.00 1.55 H new ATOM 458 N TYR A 27 -7.347 -7.794 4.551 1.00 1.52 N ATOM 459 CA TYR A 27 -6.528 -7.104 5.559 1.00 1.49 C ATOM 460 C TYR A 27 -5.853 -5.811 5.099 1.00 1.38 C ATOM 461 O TYR A 27 -5.805 -5.475 3.915 1.00 1.34 O ATOM 462 CB TYR A 27 -5.400 -8.033 6.023 1.00 1.61 C ATOM 463 CG TYR A 27 -5.810 -9.262 6.806 1.00 1.65 C ATOM 464 CD1 TYR A 27 -6.220 -9.168 8.129 1.00 1.91 C ATOM 465 CD2 TYR A 27 -5.740 -10.526 6.228 1.00 1.76 C ATOM 466 CE1 TYR A 27 -6.550 -10.299 8.856 1.00 2.21 C ATOM 467 CE2 TYR A 27 -6.076 -11.659 6.945 1.00 2.09 C ATOM 468 CZ TYR A 27 -6.476 -11.541 8.258 1.00 2.29 C ATOM 469 OH TYR A 27 -6.797 -12.669 8.977 1.00 2.75 O ATOM 0 H TYR A 27 -6.981 -7.788 3.599 1.00 1.52 H new ATOM 0 HA TYR A 27 -7.239 -6.841 6.342 1.00 1.49 H new ATOM 0 HB2 TYR A 27 -4.845 -8.359 5.144 1.00 1.61 H new ATOM 0 HB3 TYR A 27 -4.712 -7.452 6.637 1.00 1.61 H new ATOM 0 HD1 TYR A 27 -6.283 -8.197 8.598 1.00 1.91 H new ATOM 0 HD2 TYR A 27 -5.418 -10.623 5.202 1.00 1.76 H new ATOM 0 HE1 TYR A 27 -6.864 -10.210 9.886 1.00 2.21 H new ATOM 0 HE2 TYR A 27 -6.025 -12.632 6.478 1.00 2.09 H new ATOM 0 HH TYR A 27 -6.693 -13.460 8.408 1.00 2.75 H new ATOM 479 N LEU A 28 -5.322 -5.116 6.114 1.00 1.39 N ATOM 480 CA LEU A 28 -4.527 -3.895 5.974 1.00 1.35 C ATOM 481 C LEU A 28 -3.106 -4.324 6.294 1.00 1.35 C ATOM 482 O LEU A 28 -2.963 -5.317 6.991 1.00 1.38 O ATOM 483 CB LEU A 28 -4.997 -2.806 6.942 1.00 1.42 C ATOM 484 CG LEU A 28 -4.050 -1.622 7.135 1.00 1.37 C ATOM 485 CD1 LEU A 28 -4.319 -0.557 6.087 1.00 1.58 C ATOM 486 CD2 LEU A 28 -4.195 -1.046 8.538 1.00 1.77 C ATOM 0 H LEU A 28 -5.440 -5.400 7.086 1.00 1.39 H new ATOM 0 HA LEU A 28 -4.618 -3.464 4.977 1.00 1.35 H new ATOM 0 HB2 LEU A 28 -5.955 -2.425 6.590 1.00 1.42 H new ATOM 0 HB3 LEU A 28 -5.175 -3.265 7.915 1.00 1.42 H new ATOM 0 HG LEU A 28 -3.025 -1.972 7.015 1.00 1.37 H new ATOM 0 HD11 LEU A 28 -3.638 0.281 6.236 1.00 1.58 H new ATOM 0 HD12 LEU A 28 -4.165 -0.977 5.093 1.00 1.58 H new ATOM 0 HD13 LEU A 28 -5.348 -0.208 6.178 1.00 1.58 H new ATOM 0 HD21 LEU A 28 -3.513 -0.204 8.658 1.00 1.77 H new ATOM 0 HD22 LEU A 28 -5.220 -0.707 8.688 1.00 1.77 H new ATOM 0 HD23 LEU A 28 -3.955 -1.814 9.273 1.00 1.77 H new ATOM 498 N GLY A 29 -2.080 -3.562 5.902 1.00 1.36 N ATOM 499 CA GLY A 29 -0.696 -4.024 6.077 1.00 1.41 C ATOM 500 C GLY A 29 -0.400 -4.731 7.397 1.00 1.47 C ATOM 501 O GLY A 29 0.122 -5.847 7.379 1.00 1.53 O ATOM 0 H GLY A 29 -2.175 -2.643 5.471 1.00 1.36 H new ATOM 0 HA2 GLY A 29 -0.452 -4.702 5.259 1.00 1.41 H new ATOM 0 HA3 GLY A 29 -0.031 -3.165 5.988 1.00 1.41 H new ATOM 505 N PHE A 30 -0.700 -4.122 8.531 1.00 1.52 N ATOM 506 CA PHE A 30 -0.486 -4.811 9.805 1.00 1.61 C ATOM 507 C PHE A 30 -1.799 -5.330 10.407 1.00 1.61 C ATOM 508 O PHE A 30 -1.936 -6.516 10.712 1.00 1.66 O ATOM 509 CB PHE A 30 0.263 -3.932 10.812 1.00 1.76 C ATOM 510 CG PHE A 30 0.313 -4.514 12.209 1.00 1.83 C ATOM 511 CD1 PHE A 30 0.865 -5.768 12.440 1.00 2.24 C ATOM 512 CD2 PHE A 30 -0.196 -3.808 13.289 1.00 2.34 C ATOM 513 CE1 PHE A 30 0.910 -6.301 13.716 1.00 2.87 C ATOM 514 CE2 PHE A 30 -0.154 -4.339 14.567 1.00 2.75 C ATOM 515 CZ PHE A 30 0.399 -5.586 14.780 1.00 2.93 C ATOM 0 H PHE A 30 -1.082 -3.179 8.604 1.00 1.52 H new ATOM 0 HA PHE A 30 0.141 -5.675 9.586 1.00 1.61 H new ATOM 0 HB2 PHE A 30 1.281 -3.775 10.457 1.00 1.76 H new ATOM 0 HB3 PHE A 30 -0.215 -2.953 10.853 1.00 1.76 H new ATOM 0 HD1 PHE A 30 1.265 -6.335 11.612 1.00 2.24 H new ATOM 0 HD2 PHE A 30 -0.630 -2.832 13.131 1.00 2.34 H new ATOM 0 HE1 PHE A 30 1.345 -7.276 13.879 1.00 2.87 H new ATOM 0 HE2 PHE A 30 -0.554 -3.777 15.398 1.00 2.75 H new ATOM 0 HZ PHE A 30 0.432 -6.001 15.777 1.00 2.93 H new ATOM 525 N LYS A 31 -2.754 -4.412 10.565 1.00 1.61 N ATOM 526 CA LYS A 31 -4.053 -4.700 11.185 1.00 1.66 C ATOM 527 C LYS A 31 -5.163 -4.925 10.147 1.00 1.60 C ATOM 528 O LYS A 31 -4.891 -5.097 8.965 1.00 1.53 O ATOM 529 CB LYS A 31 -4.435 -3.542 12.119 1.00 1.73 C ATOM 530 CG LYS A 31 -5.100 -3.989 13.417 1.00 1.80 C ATOM 531 CD LYS A 31 -5.527 -2.803 14.269 1.00 2.09 C ATOM 532 CE LYS A 31 -6.232 -3.251 15.541 1.00 2.48 C ATOM 533 NZ LYS A 31 -5.348 -4.077 16.405 1.00 3.02 N ATOM 0 H LYS A 31 -2.650 -3.442 10.266 1.00 1.61 H new ATOM 0 HA LYS A 31 -3.953 -5.627 11.750 1.00 1.66 H new ATOM 0 HB2 LYS A 31 -3.538 -2.971 12.360 1.00 1.73 H new ATOM 0 HB3 LYS A 31 -5.109 -2.869 11.590 1.00 1.73 H new ATOM 0 HG2 LYS A 31 -5.970 -4.604 13.187 1.00 1.80 H new ATOM 0 HG3 LYS A 31 -4.409 -4.614 13.983 1.00 1.80 H new ATOM 0 HD2 LYS A 31 -4.652 -2.207 14.528 1.00 2.09 H new ATOM 0 HD3 LYS A 31 -6.191 -2.160 13.692 1.00 2.09 H new ATOM 0 HE2 LYS A 31 -6.568 -2.376 16.097 1.00 2.48 H new ATOM 0 HE3 LYS A 31 -7.122 -3.824 15.280 1.00 2.48 H new ATOM 0 HZ1 LYS A 31 -5.801 -4.219 17.330 1.00 3.02 H new ATOM 0 HZ2 LYS A 31 -5.185 -5.000 15.954 1.00 3.02 H new ATOM 0 HZ3 LYS A 31 -4.438 -3.591 16.537 1.00 3.02 H new ATOM 547 N GLN A 32 -6.416 -4.982 10.627 1.00 1.67 N ATOM 548 CA GLN A 32 -7.596 -5.167 9.768 1.00 1.66 C ATOM 549 C GLN A 32 -7.716 -3.996 8.787 1.00 1.58 C ATOM 550 O GLN A 32 -7.010 -3.003 8.936 1.00 1.55 O ATOM 551 CB GLN A 32 -8.872 -5.284 10.614 1.00 1.78 C ATOM 552 CG GLN A 32 -9.263 -6.714 10.981 1.00 1.93 C ATOM 553 CD GLN A 32 -8.235 -7.409 11.858 1.00 2.33 C ATOM 554 OE1 GLN A 32 -7.287 -8.015 11.360 1.00 2.95 O ATOM 555 NE2 GLN A 32 -8.424 -7.335 13.173 1.00 2.75 N ATOM 0 H GLN A 32 -6.639 -4.901 11.619 1.00 1.67 H new ATOM 0 HA GLN A 32 -7.474 -6.093 9.205 1.00 1.66 H new ATOM 0 HB2 GLN A 32 -8.737 -4.711 11.532 1.00 1.78 H new ATOM 0 HB3 GLN A 32 -9.697 -4.824 10.069 1.00 1.78 H new ATOM 0 HG2 GLN A 32 -10.222 -6.700 11.498 1.00 1.93 H new ATOM 0 HG3 GLN A 32 -9.402 -7.292 10.067 1.00 1.93 H new ATOM 0 HE21 GLN A 32 -9.223 -6.822 13.545 1.00 2.75 H new ATOM 0 HE22 GLN A 32 -7.770 -7.791 13.809 1.00 2.75 H new ATOM 564 N ILE A 33 -8.657 -4.076 7.839 1.00 1.56 N ATOM 565 CA ILE A 33 -8.791 -3.055 6.790 1.00 1.51 C ATOM 566 C ILE A 33 -8.860 -1.617 7.331 1.00 1.50 C ATOM 567 O ILE A 33 -8.047 -0.794 6.909 1.00 1.47 O ATOM 568 CB ILE A 33 -10.066 -3.324 5.947 1.00 1.53 C ATOM 569 CG1 ILE A 33 -9.859 -4.503 4.996 1.00 1.90 C ATOM 570 CG2 ILE A 33 -10.493 -2.087 5.168 1.00 2.04 C ATOM 571 CD1 ILE A 33 -8.857 -4.239 3.890 1.00 2.36 C ATOM 0 H ILE A 33 -9.336 -4.835 7.775 1.00 1.56 H new ATOM 0 HA ILE A 33 -7.889 -3.133 6.183 1.00 1.51 H new ATOM 0 HB ILE A 33 -10.865 -3.577 6.644 1.00 1.53 H new ATOM 0 HG12 ILE A 33 -9.528 -5.367 5.573 1.00 1.90 H new ATOM 0 HG13 ILE A 33 -10.817 -4.767 4.548 1.00 1.90 H new ATOM 0 HG21 ILE A 33 -11.389 -2.313 4.589 1.00 2.04 H new ATOM 0 HG22 ILE A 33 -10.705 -1.275 5.863 1.00 2.04 H new ATOM 0 HG23 ILE A 33 -9.691 -1.787 4.493 1.00 2.04 H new ATOM 0 HD11 ILE A 33 -8.769 -5.124 3.260 1.00 2.36 H new ATOM 0 HD12 ILE A 33 -9.195 -3.397 3.286 1.00 2.36 H new ATOM 0 HD13 ILE A 33 -7.886 -4.006 4.327 1.00 2.36 H new ATOM 583 N ASN A 34 -9.769 -1.344 8.286 1.00 1.56 N ATOM 584 CA ASN A 34 -9.936 0.005 8.877 1.00 1.58 C ATOM 585 C ASN A 34 -9.634 1.123 7.856 1.00 1.57 C ATOM 586 O ASN A 34 -8.622 1.822 7.958 1.00 1.91 O ATOM 587 CB ASN A 34 -9.049 0.149 10.120 1.00 1.60 C ATOM 588 CG ASN A 34 -9.492 -0.767 11.246 1.00 1.73 C ATOM 589 OD1 ASN A 34 -9.010 -1.893 11.375 1.00 2.14 O ATOM 590 ND2 ASN A 34 -10.426 -0.291 12.063 1.00 2.10 N ATOM 0 H ASN A 34 -10.405 -2.043 8.670 1.00 1.56 H new ATOM 0 HA ASN A 34 -10.980 0.113 9.171 1.00 1.58 H new ATOM 0 HB2 ASN A 34 -8.016 -0.076 9.856 1.00 1.60 H new ATOM 0 HB3 ASN A 34 -9.072 1.183 10.464 1.00 1.60 H new ATOM 0 HD21 ASN A 34 -10.771 -0.865 12.833 1.00 2.10 H new ATOM 0 HD22 ASN A 34 -10.798 0.648 11.920 1.00 2.10 H new ATOM 597 N LEU A 35 -10.522 1.262 6.869 1.00 1.38 N ATOM 598 CA LEU A 35 -10.364 2.233 5.779 1.00 1.34 C ATOM 599 C LEU A 35 -10.204 3.689 6.239 1.00 1.32 C ATOM 600 O LEU A 35 -9.276 4.369 5.806 1.00 1.28 O ATOM 601 CB LEU A 35 -11.560 2.120 4.822 1.00 1.40 C ATOM 602 CG LEU A 35 -11.369 2.739 3.428 1.00 1.43 C ATOM 603 CD1 LEU A 35 -11.570 4.245 3.467 1.00 1.47 C ATOM 604 CD2 LEU A 35 -9.993 2.408 2.870 1.00 1.52 C ATOM 0 H LEU A 35 -11.373 0.704 6.801 1.00 1.38 H new ATOM 0 HA LEU A 35 -9.430 1.978 5.279 1.00 1.34 H new ATOM 0 HB2 LEU A 35 -11.803 1.065 4.699 1.00 1.40 H new ATOM 0 HB3 LEU A 35 -12.422 2.593 5.292 1.00 1.40 H new ATOM 0 HG LEU A 35 -12.123 2.308 2.770 1.00 1.43 H new ATOM 0 HD11 LEU A 35 -11.429 4.657 2.468 1.00 1.47 H new ATOM 0 HD12 LEU A 35 -12.579 4.469 3.813 1.00 1.47 H new ATOM 0 HD13 LEU A 35 -10.846 4.691 4.149 1.00 1.47 H new ATOM 0 HD21 LEU A 35 -9.883 2.857 1.883 1.00 1.52 H new ATOM 0 HD22 LEU A 35 -9.226 2.803 3.536 1.00 1.52 H new ATOM 0 HD23 LEU A 35 -9.883 1.326 2.790 1.00 1.52 H new ATOM 616 N TRP A 36 -11.117 4.168 7.082 1.00 1.37 N ATOM 617 CA TRP A 36 -11.086 5.560 7.559 1.00 1.37 C ATOM 618 C TRP A 36 -9.715 5.959 8.130 1.00 1.32 C ATOM 619 O TRP A 36 -9.305 7.112 8.013 1.00 1.31 O ATOM 620 CB TRP A 36 -12.194 5.788 8.602 1.00 1.45 C ATOM 621 CG TRP A 36 -12.141 4.835 9.756 1.00 1.50 C ATOM 622 CD1 TRP A 36 -12.431 3.501 9.730 1.00 1.55 C ATOM 623 CD2 TRP A 36 -11.784 5.143 11.106 1.00 1.53 C ATOM 624 NE1 TRP A 36 -12.246 2.956 10.974 1.00 1.61 N ATOM 625 CE2 TRP A 36 -11.855 3.944 11.838 1.00 1.60 C ATOM 626 CE3 TRP A 36 -11.403 6.314 11.766 1.00 1.54 C ATOM 627 CZ2 TRP A 36 -11.557 3.882 13.195 1.00 1.66 C ATOM 628 CZ3 TRP A 36 -11.109 6.252 13.115 1.00 1.61 C ATOM 629 CH2 TRP A 36 -11.186 5.042 13.816 1.00 1.66 C ATOM 0 H TRP A 36 -11.891 3.616 7.452 1.00 1.37 H new ATOM 0 HA TRP A 36 -11.265 6.201 6.696 1.00 1.37 H new ATOM 0 HB2 TRP A 36 -12.120 6.807 8.981 1.00 1.45 H new ATOM 0 HB3 TRP A 36 -13.164 5.699 8.113 1.00 1.45 H new ATOM 0 HD1 TRP A 36 -12.758 2.955 8.857 1.00 1.55 H new ATOM 0 HE1 TRP A 36 -12.378 1.974 11.217 1.00 1.61 H new ATOM 0 HE3 TRP A 36 -11.339 7.250 11.232 1.00 1.54 H new ATOM 0 HZ2 TRP A 36 -11.617 2.951 13.739 1.00 1.66 H new ATOM 0 HZ3 TRP A 36 -10.815 7.151 13.637 1.00 1.61 H new ATOM 0 HH2 TRP A 36 -10.947 5.025 14.869 1.00 1.66 H new ATOM 640 N THR A 37 -9.016 5.000 8.735 1.00 1.32 N ATOM 641 CA THR A 37 -7.692 5.246 9.337 1.00 1.29 C ATOM 642 C THR A 37 -6.582 5.359 8.288 1.00 1.23 C ATOM 643 O THR A 37 -5.841 6.339 8.313 1.00 1.21 O ATOM 644 CB THR A 37 -7.324 4.159 10.361 1.00 1.34 C ATOM 645 OG1 THR A 37 -8.280 4.130 11.398 1.00 1.41 O ATOM 646 CG2 THR A 37 -5.976 4.400 11.043 1.00 1.35 C ATOM 0 H THR A 37 -9.341 4.037 8.825 1.00 1.32 H new ATOM 0 HA THR A 37 -7.772 6.205 9.849 1.00 1.29 H new ATOM 0 HB THR A 37 -7.285 3.229 9.793 1.00 1.34 H new ATOM 0 HG1 THR A 37 -8.040 3.434 12.045 1.00 1.41 H new ATOM 0 HG21 THR A 37 -5.778 3.597 11.753 1.00 1.35 H new ATOM 0 HG22 THR A 37 -5.187 4.423 10.291 1.00 1.35 H new ATOM 0 HG23 THR A 37 -6.001 5.353 11.572 1.00 1.35 H new ATOM 654 N MET A 38 -6.464 4.424 7.332 1.00 1.20 N ATOM 655 CA MET A 38 -5.482 4.582 6.237 1.00 1.15 C ATOM 656 C MET A 38 -5.784 5.810 5.357 1.00 1.13 C ATOM 657 O MET A 38 -4.862 6.446 4.850 1.00 1.11 O ATOM 658 CB MET A 38 -5.315 3.309 5.387 1.00 1.14 C ATOM 659 CG MET A 38 -6.588 2.816 4.695 1.00 1.17 C ATOM 660 SD MET A 38 -6.295 1.824 3.206 1.00 1.17 S ATOM 661 CE MET A 38 -7.177 0.292 3.608 1.00 1.25 C ATOM 0 H MET A 38 -7.019 3.569 7.290 1.00 1.20 H new ATOM 0 HA MET A 38 -4.523 4.756 6.726 1.00 1.15 H new ATOM 0 HB2 MET A 38 -4.556 3.496 4.627 1.00 1.14 H new ATOM 0 HB3 MET A 38 -4.936 2.512 6.026 1.00 1.14 H new ATOM 0 HG2 MET A 38 -7.166 2.223 5.404 1.00 1.17 H new ATOM 0 HG3 MET A 38 -7.199 3.678 4.428 1.00 1.17 H new ATOM 0 HE1 MET A 38 -7.344 -0.282 2.696 1.00 1.25 H new ATOM 0 HE2 MET A 38 -6.582 -0.298 4.305 1.00 1.25 H new ATOM 0 HE3 MET A 38 -8.137 0.534 4.065 1.00 1.25 H new ATOM 671 N PHE A 39 -7.065 6.180 5.240 1.00 1.17 N ATOM 672 CA PHE A 39 -7.471 7.419 4.583 1.00 1.19 C ATOM 673 C PHE A 39 -6.963 8.659 5.318 1.00 1.20 C ATOM 674 O PHE A 39 -6.180 9.412 4.743 1.00 1.20 O ATOM 675 CB PHE A 39 -8.988 7.469 4.398 1.00 1.25 C ATOM 676 CG PHE A 39 -9.449 8.764 3.752 1.00 1.30 C ATOM 677 CD1 PHE A 39 -9.077 9.056 2.425 1.00 1.30 C ATOM 678 CD2 PHE A 39 -10.203 9.699 4.487 1.00 1.36 C ATOM 679 CE1 PHE A 39 -9.470 10.265 1.828 1.00 1.37 C ATOM 680 CE2 PHE A 39 -10.584 10.917 3.894 1.00 1.43 C ATOM 681 CZ PHE A 39 -10.214 11.201 2.567 1.00 1.44 C ATOM 0 H PHE A 39 -7.844 5.628 5.598 1.00 1.17 H new ATOM 0 HA PHE A 39 -7.006 7.425 3.597 1.00 1.19 H new ATOM 0 HB2 PHE A 39 -9.304 6.626 3.783 1.00 1.25 H new ATOM 0 HB3 PHE A 39 -9.474 7.356 5.367 1.00 1.25 H new ATOM 0 HD1 PHE A 39 -8.487 8.347 1.864 1.00 1.30 H new ATOM 0 HD2 PHE A 39 -10.489 9.481 5.506 1.00 1.36 H new ATOM 0 HE1 PHE A 39 -9.201 10.475 0.803 1.00 1.37 H new ATOM 0 HE2 PHE A 39 -11.161 11.634 4.458 1.00 1.43 H new ATOM 0 HZ PHE A 39 -10.502 12.139 2.116 1.00 1.44 H new ATOM 691 N GLN A 40 -7.336 8.878 6.589 1.00 1.24 N ATOM 692 CA GLN A 40 -6.850 10.072 7.305 1.00 1.27 C ATOM 693 C GLN A 40 -5.317 10.085 7.474 1.00 1.25 C ATOM 694 O GLN A 40 -4.713 11.159 7.472 1.00 1.28 O ATOM 695 CB GLN A 40 -7.602 10.251 8.636 1.00 1.33 C ATOM 696 CG GLN A 40 -7.183 9.241 9.712 1.00 1.33 C ATOM 697 CD GLN A 40 -8.192 9.151 10.850 1.00 1.39 C ATOM 698 OE1 GLN A 40 -8.025 9.711 11.924 1.00 1.44 O ATOM 699 NE2 GLN A 40 -9.270 8.425 10.652 1.00 1.40 N ATOM 0 H GLN A 40 -7.951 8.269 7.128 1.00 1.24 H new ATOM 0 HA GLN A 40 -7.073 10.941 6.685 1.00 1.27 H new ATOM 0 HB2 GLN A 40 -7.430 11.261 9.009 1.00 1.33 H new ATOM 0 HB3 GLN A 40 -8.673 10.156 8.456 1.00 1.33 H new ATOM 0 HG2 GLN A 40 -7.065 8.258 9.257 1.00 1.33 H new ATOM 0 HG3 GLN A 40 -6.211 9.525 10.114 1.00 1.33 H new ATOM 0 HE21 GLN A 40 -9.412 7.957 9.757 1.00 1.40 H new ATOM 0 HE22 GLN A 40 -9.964 8.330 11.393 1.00 1.40 H new ATOM 708 N ALA A 41 -4.670 8.914 7.529 1.00 1.21 N ATOM 709 CA ALA A 41 -3.216 8.796 7.460 1.00 1.20 C ATOM 710 C ALA A 41 -2.666 9.294 6.114 1.00 1.18 C ATOM 711 O ALA A 41 -1.823 10.188 6.096 1.00 1.21 O ATOM 712 CB ALA A 41 -2.814 7.343 7.732 1.00 1.18 C ATOM 0 H ALA A 41 -5.148 8.018 7.623 1.00 1.21 H new ATOM 0 HA ALA A 41 -2.775 9.435 8.225 1.00 1.20 H new ATOM 0 HB1 ALA A 41 -1.729 7.250 7.681 1.00 1.18 H new ATOM 0 HB2 ALA A 41 -3.157 7.050 8.724 1.00 1.18 H new ATOM 0 HB3 ALA A 41 -3.269 6.694 6.984 1.00 1.18 H new ATOM 718 N ALA A 42 -3.182 8.803 4.983 1.00 1.14 N ATOM 719 CA ALA A 42 -2.803 9.293 3.657 1.00 1.14 C ATOM 720 C ALA A 42 -3.041 10.802 3.495 1.00 1.20 C ATOM 721 O ALA A 42 -2.203 11.489 2.926 1.00 1.23 O ATOM 722 CB ALA A 42 -3.550 8.490 2.585 1.00 1.11 C ATOM 0 H ALA A 42 -3.874 8.054 4.963 1.00 1.14 H new ATOM 0 HA ALA A 42 -1.730 9.145 3.536 1.00 1.14 H new ATOM 0 HB1 ALA A 42 -3.269 8.853 1.597 1.00 1.11 H new ATOM 0 HB2 ALA A 42 -3.288 7.436 2.672 1.00 1.11 H new ATOM 0 HB3 ALA A 42 -4.625 8.610 2.724 1.00 1.11 H new ATOM 728 N GLN A 43 -4.134 11.335 4.054 1.00 1.23 N ATOM 729 CA GLN A 43 -4.440 12.769 3.979 1.00 1.31 C ATOM 730 C GLN A 43 -3.467 13.624 4.819 1.00 1.35 C ATOM 731 O GLN A 43 -3.233 14.787 4.487 1.00 1.42 O ATOM 732 CB GLN A 43 -5.903 13.035 4.373 1.00 1.35 C ATOM 733 CG GLN A 43 -6.932 12.433 3.393 1.00 1.35 C ATOM 734 CD GLN A 43 -6.757 12.893 1.944 1.00 1.38 C ATOM 735 OE1 GLN A 43 -6.622 14.071 1.640 1.00 1.45 O ATOM 736 NE2 GLN A 43 -6.733 11.984 0.991 1.00 1.35 N ATOM 0 H GLN A 43 -4.826 10.790 4.567 1.00 1.23 H new ATOM 0 HA GLN A 43 -4.303 13.074 2.941 1.00 1.31 H new ATOM 0 HB2 GLN A 43 -6.081 12.627 5.368 1.00 1.35 H new ATOM 0 HB3 GLN A 43 -6.062 14.111 4.436 1.00 1.35 H new ATOM 0 HG2 GLN A 43 -6.860 11.346 3.429 1.00 1.35 H new ATOM 0 HG3 GLN A 43 -7.935 12.697 3.728 1.00 1.35 H new ATOM 0 HE21 GLN A 43 -6.844 10.997 1.224 1.00 1.35 H new ATOM 0 HE22 GLN A 43 -6.604 12.267 0.020 1.00 1.35 H new ATOM 745 N LYS A 44 -2.845 13.028 5.847 1.00 1.33 N ATOM 746 CA LYS A 44 -1.763 13.682 6.601 1.00 1.39 C ATOM 747 C LYS A 44 -0.440 13.598 5.839 1.00 1.39 C ATOM 748 O LYS A 44 0.235 14.612 5.659 1.00 1.45 O ATOM 749 CB LYS A 44 -1.675 13.037 7.995 1.00 1.39 C ATOM 750 CG LYS A 44 -0.750 13.815 8.942 1.00 1.47 C ATOM 751 CD LYS A 44 -0.561 13.113 10.294 1.00 1.49 C ATOM 752 CE LYS A 44 -1.893 12.837 11.007 1.00 1.49 C ATOM 753 NZ LYS A 44 -1.664 12.313 12.377 1.00 1.53 N ATOM 0 H LYS A 44 -3.073 12.090 6.177 1.00 1.33 H new ATOM 0 HA LYS A 44 -1.980 14.743 6.722 1.00 1.39 H new ATOM 0 HB2 LYS A 44 -2.673 12.981 8.430 1.00 1.39 H new ATOM 0 HB3 LYS A 44 -1.313 12.014 7.897 1.00 1.39 H new ATOM 0 HG2 LYS A 44 0.222 13.947 8.467 1.00 1.47 H new ATOM 0 HG3 LYS A 44 -1.161 14.811 9.108 1.00 1.47 H new ATOM 0 HD2 LYS A 44 -0.034 12.172 10.140 1.00 1.49 H new ATOM 0 HD3 LYS A 44 0.069 13.730 10.935 1.00 1.49 H new ATOM 0 HE2 LYS A 44 -2.479 13.754 11.058 1.00 1.49 H new ATOM 0 HE3 LYS A 44 -2.476 12.118 10.431 1.00 1.49 H new ATOM 0 HZ1 LYS A 44 -2.561 11.961 12.768 1.00 1.53 H new ATOM 0 HZ2 LYS A 44 -0.973 11.536 12.341 1.00 1.53 H new ATOM 0 HZ3 LYS A 44 -1.297 13.074 12.983 1.00 1.53 H new ATOM 767 N LEU A 45 -0.130 12.407 5.323 1.00 1.32 N ATOM 768 CA LEU A 45 1.030 12.196 4.447 1.00 1.32 C ATOM 769 C LEU A 45 0.865 12.780 3.004 1.00 1.34 C ATOM 770 O LEU A 45 1.689 12.483 2.135 1.00 1.34 O ATOM 771 CB LEU A 45 1.446 10.693 4.498 1.00 1.27 C ATOM 772 CG LEU A 45 2.120 10.127 5.785 1.00 1.30 C ATOM 773 CD1 LEU A 45 3.219 11.050 6.317 1.00 1.39 C ATOM 774 CD2 LEU A 45 1.161 9.837 6.936 1.00 1.29 C ATOM 0 H LEU A 45 -0.673 11.562 5.499 1.00 1.32 H new ATOM 0 HA LEU A 45 1.861 12.786 4.834 1.00 1.32 H new ATOM 0 HB2 LEU A 45 0.551 10.100 4.310 1.00 1.27 H new ATOM 0 HB3 LEU A 45 2.128 10.514 3.666 1.00 1.27 H new ATOM 0 HG LEU A 45 2.539 9.179 5.447 1.00 1.30 H new ATOM 0 HD11 LEU A 45 3.658 10.613 7.214 1.00 1.39 H new ATOM 0 HD12 LEU A 45 3.991 11.172 5.557 1.00 1.39 H new ATOM 0 HD13 LEU A 45 2.791 12.023 6.559 1.00 1.39 H new ATOM 0 HD21 LEU A 45 1.721 9.447 7.786 1.00 1.29 H new ATOM 0 HD22 LEU A 45 0.653 10.756 7.227 1.00 1.29 H new ATOM 0 HD23 LEU A 45 0.424 9.100 6.618 1.00 1.29 H new ATOM 786 N GLY A 46 -0.150 13.629 2.749 1.00 1.36 N ATOM 787 CA GLY A 46 -0.205 14.429 1.496 1.00 1.42 C ATOM 788 C GLY A 46 -1.179 13.963 0.394 1.00 1.40 C ATOM 789 O GLY A 46 -0.983 14.252 -0.790 1.00 1.44 O ATOM 0 H GLY A 46 -0.936 13.782 3.381 1.00 1.36 H new ATOM 0 HA2 GLY A 46 -0.464 15.454 1.763 1.00 1.42 H new ATOM 0 HA3 GLY A 46 0.798 14.455 1.069 1.00 1.42 H new ATOM 793 N GLY A 47 -2.218 13.242 0.809 1.00 1.34 N ATOM 794 CA GLY A 47 -3.126 12.534 -0.090 1.00 1.32 C ATOM 795 C GLY A 47 -2.440 11.469 -0.951 1.00 1.28 C ATOM 796 O GLY A 47 -1.212 11.357 -1.003 1.00 1.27 O ATOM 0 H GLY A 47 -2.456 13.132 1.795 1.00 1.34 H new ATOM 0 HA2 GLY A 47 -3.910 12.060 0.500 1.00 1.32 H new ATOM 0 HA3 GLY A 47 -3.612 13.258 -0.744 1.00 1.32 H new ATOM 800 N TYR A 48 -3.255 10.710 -1.687 1.00 1.27 N ATOM 801 CA TYR A 48 -2.750 9.776 -2.706 1.00 1.26 C ATOM 802 C TYR A 48 -1.796 10.430 -3.730 1.00 1.32 C ATOM 803 O TYR A 48 -0.980 9.742 -4.346 1.00 1.31 O ATOM 804 CB TYR A 48 -3.942 9.115 -3.404 1.00 1.28 C ATOM 805 CG TYR A 48 -3.591 7.873 -4.205 1.00 1.26 C ATOM 806 CD1 TYR A 48 -3.431 6.639 -3.546 1.00 1.20 C ATOM 807 CD2 TYR A 48 -3.435 7.948 -5.603 1.00 1.33 C ATOM 808 CE1 TYR A 48 -3.152 5.472 -4.281 1.00 1.21 C ATOM 809 CE2 TYR A 48 -3.136 6.786 -6.340 1.00 1.33 C ATOM 810 CZ TYR A 48 -3.006 5.545 -5.683 1.00 1.27 C ATOM 811 OH TYR A 48 -2.745 4.425 -6.409 1.00 1.29 O ATOM 0 H TYR A 48 -4.271 10.721 -1.599 1.00 1.27 H new ATOM 0 HA TYR A 48 -2.146 9.026 -2.195 1.00 1.26 H new ATOM 0 HB2 TYR A 48 -4.686 8.850 -2.653 1.00 1.28 H new ATOM 0 HB3 TYR A 48 -4.407 9.842 -4.070 1.00 1.28 H new ATOM 0 HD1 TYR A 48 -3.523 6.588 -2.471 1.00 1.20 H new ATOM 0 HD2 TYR A 48 -3.545 8.896 -6.109 1.00 1.33 H new ATOM 0 HE1 TYR A 48 -3.050 4.524 -3.774 1.00 1.21 H new ATOM 0 HE2 TYR A 48 -3.006 6.845 -7.411 1.00 1.33 H new ATOM 0 HH TYR A 48 -2.677 4.659 -7.358 1.00 1.29 H new ATOM 821 N GLU A 49 -1.852 11.755 -3.904 1.00 1.39 N ATOM 822 CA GLU A 49 -1.032 12.447 -4.911 1.00 1.47 C ATOM 823 C GLU A 49 0.426 12.618 -4.471 1.00 1.46 C ATOM 824 O GLU A 49 1.333 12.254 -5.225 1.00 1.48 O ATOM 825 CB GLU A 49 -1.662 13.802 -5.253 1.00 1.57 C ATOM 826 CG GLU A 49 -2.896 13.605 -6.145 1.00 1.61 C ATOM 827 CD GLU A 49 -3.681 14.913 -6.317 1.00 1.71 C ATOM 828 OE1 GLU A 49 -3.212 15.833 -7.032 1.00 1.80 O ATOM 829 OE2 GLU A 49 -4.793 15.008 -5.746 1.00 1.72 O ATOM 0 H GLU A 49 -2.456 12.372 -3.361 1.00 1.39 H new ATOM 0 HA GLU A 49 -1.012 11.821 -5.803 1.00 1.47 H new ATOM 0 HB2 GLU A 49 -1.946 14.320 -4.337 1.00 1.57 H new ATOM 0 HB3 GLU A 49 -0.933 14.432 -5.763 1.00 1.57 H new ATOM 0 HG2 GLU A 49 -2.585 13.235 -7.122 1.00 1.61 H new ATOM 0 HG3 GLU A 49 -3.544 12.845 -5.708 1.00 1.61 H new ATOM 836 N THR A 50 0.683 13.081 -3.239 1.00 1.44 N ATOM 837 CA THR A 50 2.041 13.065 -2.668 1.00 1.45 C ATOM 838 C THR A 50 2.528 11.627 -2.497 1.00 1.37 C ATOM 839 O THR A 50 3.689 11.331 -2.775 1.00 1.40 O ATOM 840 CB THR A 50 2.129 13.804 -1.324 1.00 1.46 C ATOM 841 OG1 THR A 50 1.672 15.133 -1.473 1.00 1.54 O ATOM 842 CG2 THR A 50 3.558 13.903 -0.788 1.00 1.50 C ATOM 0 H THR A 50 -0.028 13.470 -2.619 1.00 1.44 H new ATOM 0 HA THR A 50 2.683 13.594 -3.373 1.00 1.45 H new ATOM 0 HB THR A 50 1.519 13.226 -0.630 1.00 1.46 H new ATOM 0 HG1 THR A 50 0.710 15.170 -1.291 1.00 1.54 H new ATOM 0 HG21 THR A 50 3.554 14.435 0.163 1.00 1.50 H new ATOM 0 HG22 THR A 50 3.962 12.901 -0.641 1.00 1.50 H new ATOM 0 HG23 THR A 50 4.178 14.443 -1.503 1.00 1.50 H new ATOM 850 N ILE A 51 1.628 10.710 -2.125 1.00 1.30 N ATOM 851 CA ILE A 51 1.940 9.276 -2.061 1.00 1.24 C ATOM 852 C ILE A 51 2.467 8.736 -3.401 1.00 1.27 C ATOM 853 O ILE A 51 3.477 8.036 -3.418 1.00 1.27 O ATOM 854 CB ILE A 51 0.701 8.516 -1.517 1.00 1.18 C ATOM 855 CG1 ILE A 51 0.858 8.169 -0.024 1.00 1.14 C ATOM 856 CG2 ILE A 51 0.345 7.241 -2.290 1.00 1.15 C ATOM 857 CD1 ILE A 51 0.758 9.399 0.890 1.00 1.17 C ATOM 0 H ILE A 51 0.669 10.938 -1.861 1.00 1.30 H new ATOM 0 HA ILE A 51 2.763 9.109 -1.366 1.00 1.24 H new ATOM 0 HB ILE A 51 -0.123 9.216 -1.658 1.00 1.18 H new ATOM 0 HG12 ILE A 51 0.090 7.449 0.259 1.00 1.14 H new ATOM 0 HG13 ILE A 51 1.822 7.685 0.132 1.00 1.14 H new ATOM 0 HG21 ILE A 51 -0.532 6.776 -1.840 1.00 1.15 H new ATOM 0 HG22 ILE A 51 0.130 7.493 -3.328 1.00 1.15 H new ATOM 0 HG23 ILE A 51 1.184 6.546 -2.252 1.00 1.15 H new ATOM 0 HD11 ILE A 51 0.876 9.091 1.929 1.00 1.17 H new ATOM 0 HD12 ILE A 51 1.543 10.110 0.631 1.00 1.17 H new ATOM 0 HD13 ILE A 51 -0.216 9.871 0.760 1.00 1.17 H new ATOM 869 N THR A 52 1.830 9.084 -4.517 1.00 1.30 N ATOM 870 CA THR A 52 2.268 8.624 -5.849 1.00 1.35 C ATOM 871 C THR A 52 3.538 9.333 -6.311 1.00 1.42 C ATOM 872 O THR A 52 4.416 8.694 -6.896 1.00 1.45 O ATOM 873 CB THR A 52 1.135 8.803 -6.871 1.00 1.39 C ATOM 874 OG1 THR A 52 0.045 8.007 -6.458 1.00 1.34 O ATOM 875 CG2 THR A 52 1.496 8.321 -8.277 1.00 1.45 C ATOM 0 H THR A 52 1.006 9.684 -4.533 1.00 1.30 H new ATOM 0 HA THR A 52 2.508 7.564 -5.771 1.00 1.35 H new ATOM 0 HB THR A 52 0.919 9.871 -6.912 1.00 1.39 H new ATOM 0 HG1 THR A 52 -0.438 8.462 -5.737 1.00 1.34 H new ATOM 0 HG21 THR A 52 0.649 8.479 -8.944 1.00 1.45 H new ATOM 0 HG22 THR A 52 2.356 8.881 -8.644 1.00 1.45 H new ATOM 0 HG23 THR A 52 1.741 7.259 -8.246 1.00 1.45 H new ATOM 883 N ALA A 53 3.686 10.619 -5.987 1.00 1.47 N ATOM 884 CA ALA A 53 4.903 11.372 -6.289 1.00 1.55 C ATOM 885 C ALA A 53 6.134 10.934 -5.461 1.00 1.54 C ATOM 886 O ALA A 53 7.261 11.179 -5.905 1.00 1.61 O ATOM 887 CB ALA A 53 4.602 12.860 -6.073 1.00 1.61 C ATOM 0 H ALA A 53 2.969 11.165 -5.510 1.00 1.47 H new ATOM 0 HA ALA A 53 5.176 11.170 -7.325 1.00 1.55 H new ATOM 0 HB1 ALA A 53 5.494 13.447 -6.291 1.00 1.61 H new ATOM 0 HB2 ALA A 53 3.794 13.168 -6.736 1.00 1.61 H new ATOM 0 HB3 ALA A 53 4.304 13.024 -5.037 1.00 1.61 H new ATOM 893 N ARG A 54 5.941 10.301 -4.287 1.00 1.47 N ATOM 894 CA ARG A 54 7.058 10.065 -3.335 1.00 1.49 C ATOM 895 C ARG A 54 7.182 8.642 -2.766 1.00 1.44 C ATOM 896 O ARG A 54 8.165 8.367 -2.079 1.00 1.48 O ATOM 897 CB ARG A 54 6.931 11.060 -2.160 1.00 1.51 C ATOM 898 CG ARG A 54 6.990 12.556 -2.523 1.00 1.59 C ATOM 899 CD ARG A 54 8.336 13.009 -3.113 1.00 1.68 C ATOM 900 NE ARG A 54 9.469 12.777 -2.191 1.00 1.72 N ATOM 901 CZ ARG A 54 9.834 13.522 -1.162 1.00 1.77 C ATOM 902 NH1 ARG A 54 9.202 14.613 -0.827 1.00 1.79 N ATOM 903 NH2 ARG A 54 10.861 13.182 -0.439 1.00 1.82 N ATOM 0 H ARG A 54 5.038 9.946 -3.973 1.00 1.47 H new ATOM 0 HA ARG A 54 7.963 10.212 -3.924 1.00 1.49 H new ATOM 0 HB2 ARG A 54 5.987 10.869 -1.650 1.00 1.51 H new ATOM 0 HB3 ARG A 54 7.727 10.850 -1.446 1.00 1.51 H new ATOM 0 HG2 ARG A 54 6.199 12.776 -3.240 1.00 1.59 H new ATOM 0 HG3 ARG A 54 6.782 13.144 -1.629 1.00 1.59 H new ATOM 0 HD2 ARG A 54 8.517 12.476 -4.046 1.00 1.68 H new ATOM 0 HD3 ARG A 54 8.283 14.070 -3.357 1.00 1.68 H new ATOM 0 HE ARG A 54 10.034 11.947 -2.370 1.00 1.72 H new ATOM 0 HH11 ARG A 54 8.393 14.920 -1.367 1.00 1.79 H new ATOM 0 HH12 ARG A 54 9.517 15.159 -0.025 1.00 1.79 H new ATOM 0 HH21 ARG A 54 11.387 12.338 -0.666 1.00 1.82 H new ATOM 0 HH22 ARG A 54 11.140 13.759 0.354 1.00 1.82 H new ATOM 917 N ARG A 55 6.225 7.739 -3.033 1.00 1.37 N ATOM 918 CA ARG A 55 6.085 6.415 -2.375 1.00 1.32 C ATOM 919 C ARG A 55 6.094 6.584 -0.852 1.00 1.31 C ATOM 920 O ARG A 55 6.892 6.009 -0.113 1.00 1.35 O ATOM 921 CB ARG A 55 7.096 5.390 -2.945 1.00 1.37 C ATOM 922 CG ARG A 55 7.214 5.399 -4.485 1.00 1.40 C ATOM 923 CD ARG A 55 5.891 5.168 -5.238 1.00 1.35 C ATOM 924 NE ARG A 55 5.744 6.089 -6.386 1.00 1.40 N ATOM 925 CZ ARG A 55 6.251 5.971 -7.598 1.00 1.46 C ATOM 926 NH1 ARG A 55 6.981 4.954 -7.963 1.00 1.49 N ATOM 927 NH2 ARG A 55 6.021 6.906 -8.471 1.00 1.51 N ATOM 0 H ARG A 55 5.502 7.908 -3.732 1.00 1.37 H new ATOM 0 HA ARG A 55 5.115 5.977 -2.610 1.00 1.32 H new ATOM 0 HB2 ARG A 55 8.078 5.590 -2.516 1.00 1.37 H new ATOM 0 HB3 ARG A 55 6.804 4.391 -2.621 1.00 1.37 H new ATOM 0 HG2 ARG A 55 7.630 6.357 -4.797 1.00 1.40 H new ATOM 0 HG3 ARG A 55 7.925 4.629 -4.785 1.00 1.40 H new ATOM 0 HD2 ARG A 55 5.849 4.138 -5.591 1.00 1.35 H new ATOM 0 HD3 ARG A 55 5.054 5.305 -4.553 1.00 1.35 H new ATOM 0 HE ARG A 55 5.179 6.921 -6.219 1.00 1.40 H new ATOM 0 HH11 ARG A 55 7.181 4.206 -7.299 1.00 1.49 H new ATOM 0 HH12 ARG A 55 7.351 4.907 -8.912 1.00 1.49 H new ATOM 0 HH21 ARG A 55 5.456 7.715 -8.214 1.00 1.51 H new ATOM 0 HH22 ARG A 55 6.406 6.830 -9.413 1.00 1.51 H new ATOM 941 N GLN A 56 5.156 7.433 -0.421 1.00 1.28 N ATOM 942 CA GLN A 56 5.077 7.873 0.977 1.00 1.29 C ATOM 943 C GLN A 56 4.328 6.867 1.880 1.00 1.24 C ATOM 944 O GLN A 56 4.214 7.109 3.080 1.00 1.25 O ATOM 945 CB GLN A 56 4.463 9.286 1.054 1.00 1.30 C ATOM 946 CG GLN A 56 5.101 10.188 2.128 1.00 1.37 C ATOM 947 CD GLN A 56 6.339 10.929 1.619 1.00 1.46 C ATOM 948 OE1 GLN A 56 7.543 10.534 1.974 1.00 1.49 O flip ATOM 949 NE2 GLN A 56 6.245 11.901 0.883 1.00 1.51 N flip ATOM 0 H GLN A 56 4.436 7.832 -1.024 1.00 1.28 H new ATOM 0 HA GLN A 56 6.094 7.916 1.367 1.00 1.29 H new ATOM 0 HB2 GLN A 56 4.564 9.769 0.082 1.00 1.30 H new ATOM 0 HB3 GLN A 56 3.396 9.197 1.256 1.00 1.30 H new ATOM 0 HG2 GLN A 56 4.364 10.914 2.471 1.00 1.37 H new ATOM 0 HG3 GLN A 56 5.375 9.580 2.990 1.00 1.37 H new ATOM 0 HE21 GLN A 56 5.326 12.232 0.590 1.00 1.51 H new ATOM 0 HE22 GLN A 56 7.086 12.381 0.562 1.00 1.51 H new ATOM 958 N TRP A 57 3.853 5.725 1.354 1.00 1.19 N ATOM 959 CA TRP A 57 3.233 4.652 2.151 1.00 1.17 C ATOM 960 C TRP A 57 4.114 4.161 3.302 1.00 1.24 C ATOM 961 O TRP A 57 3.588 3.840 4.365 1.00 1.24 O ATOM 962 CB TRP A 57 2.808 3.465 1.279 1.00 1.15 C ATOM 963 CG TRP A 57 1.637 3.732 0.399 1.00 1.11 C ATOM 964 CD1 TRP A 57 1.685 4.060 -0.909 1.00 1.11 C ATOM 965 CD2 TRP A 57 0.226 3.699 0.764 1.00 1.07 C ATOM 966 NE1 TRP A 57 0.400 4.259 -1.368 1.00 1.09 N ATOM 967 CE2 TRP A 57 -0.540 4.067 -0.380 1.00 1.07 C ATOM 968 CE3 TRP A 57 -0.482 3.413 1.950 1.00 1.07 C ATOM 969 CZ2 TRP A 57 -1.937 4.177 -0.341 1.00 1.06 C ATOM 970 CZ3 TRP A 57 -1.882 3.504 1.999 1.00 1.06 C ATOM 971 CH2 TRP A 57 -2.605 3.890 0.860 1.00 1.06 C ATOM 0 H TRP A 57 3.889 5.519 0.356 1.00 1.19 H new ATOM 0 HA TRP A 57 2.345 5.105 2.592 1.00 1.17 H new ATOM 0 HB2 TRP A 57 3.652 3.166 0.658 1.00 1.15 H new ATOM 0 HB3 TRP A 57 2.574 2.620 1.927 1.00 1.15 H new ATOM 0 HD1 TRP A 57 2.584 4.152 -1.500 1.00 1.11 H new ATOM 0 HE1 TRP A 57 0.172 4.518 -2.328 1.00 1.09 H new ATOM 0 HE3 TRP A 57 0.062 3.119 2.835 1.00 1.07 H new ATOM 0 HZ2 TRP A 57 -2.489 4.477 -1.219 1.00 1.06 H new ATOM 0 HZ3 TRP A 57 -2.404 3.276 2.916 1.00 1.06 H new ATOM 0 HH2 TRP A 57 -3.681 3.967 0.908 1.00 1.06 H new ATOM 982 N LYS A 58 5.430 4.203 3.149 1.00 1.32 N ATOM 983 CA LYS A 58 6.315 3.812 4.246 1.00 1.42 C ATOM 984 C LYS A 58 6.040 4.707 5.471 1.00 1.43 C ATOM 985 O LYS A 58 6.175 4.275 6.615 1.00 1.51 O ATOM 986 CB LYS A 58 7.781 3.931 3.814 1.00 1.54 C ATOM 987 CG LYS A 58 8.637 2.707 4.131 1.00 1.98 C ATOM 988 CD LYS A 58 8.018 1.407 3.622 1.00 2.07 C ATOM 989 CE LYS A 58 7.767 1.441 2.120 1.00 2.58 C ATOM 990 NZ LYS A 58 9.030 1.540 1.341 1.00 2.89 N ATOM 0 H LYS A 58 5.905 4.497 2.296 1.00 1.32 H new ATOM 0 HA LYS A 58 6.121 2.773 4.512 1.00 1.42 H new ATOM 0 HB2 LYS A 58 7.816 4.115 2.740 1.00 1.54 H new ATOM 0 HB3 LYS A 58 8.220 4.802 4.301 1.00 1.54 H new ATOM 0 HG2 LYS A 58 9.624 2.834 3.686 1.00 1.98 H new ATOM 0 HG3 LYS A 58 8.780 2.638 5.209 1.00 1.98 H new ATOM 0 HD2 LYS A 58 8.679 0.574 3.860 1.00 2.07 H new ATOM 0 HD3 LYS A 58 7.077 1.226 4.142 1.00 2.07 H new ATOM 0 HE2 LYS A 58 7.229 0.541 1.823 1.00 2.58 H new ATOM 0 HE3 LYS A 58 7.126 2.290 1.880 1.00 2.58 H new ATOM 0 HZ1 LYS A 58 8.854 2.064 0.460 1.00 2.89 H new ATOM 0 HZ2 LYS A 58 9.747 2.040 1.904 1.00 2.89 H new ATOM 0 HZ3 LYS A 58 9.373 0.585 1.113 1.00 2.89 H new ATOM 1004 N HIS A 59 5.659 5.964 5.198 1.00 1.39 N ATOM 1005 CA HIS A 59 5.328 6.954 6.233 1.00 1.40 C ATOM 1006 C HIS A 59 3.913 6.712 6.810 1.00 1.32 C ATOM 1007 O HIS A 59 3.656 6.998 7.975 1.00 1.35 O ATOM 1008 CB HIS A 59 5.505 8.367 5.669 1.00 1.43 C ATOM 1009 CG HIS A 59 6.895 8.611 5.143 1.00 1.58 C ATOM 1010 ND1 HIS A 59 7.543 8.101 4.061 1.00 1.81 N flip ATOM 1011 CD2 HIS A 59 7.799 9.450 5.760 1.00 1.59 C flip ATOM 1012 CE1 HIS A 59 8.807 8.636 4.048 1.00 1.93 C flip ATOM 1013 NE2 HIS A 59 8.935 9.449 5.082 1.00 1.79 N flip ATOM 0 H HIS A 59 5.572 6.324 4.248 1.00 1.39 H new ATOM 0 HA HIS A 59 6.016 6.843 7.071 1.00 1.40 H new ATOM 0 HB2 HIS A 59 4.784 8.527 4.867 1.00 1.43 H new ATOM 0 HB3 HIS A 59 5.282 9.096 6.448 1.00 1.43 H new ATOM 0 HD2 HIS A 59 7.609 10.020 6.658 1.00 1.59 H new ATOM 0 HE1 HIS A 59 9.571 8.427 3.314 1.00 1.93 H new ATOM 0 HE2 HIS A 59 9.770 9.986 5.318 1.00 1.79 H new ATOM 1022 N ILE A 60 2.990 6.244 5.960 1.00 1.23 N ATOM 1023 CA ILE A 60 1.644 5.834 6.385 1.00 1.20 C ATOM 1024 C ILE A 60 1.821 4.688 7.378 1.00 1.27 C ATOM 1025 O ILE A 60 1.237 4.753 8.448 1.00 1.33 O ATOM 1026 CB ILE A 60 0.723 5.469 5.200 1.00 1.15 C ATOM 1027 CG1 ILE A 60 0.358 6.771 4.452 1.00 1.14 C ATOM 1028 CG2 ILE A 60 -0.545 4.735 5.685 1.00 1.18 C ATOM 1029 CD1 ILE A 60 -0.381 6.551 3.130 1.00 1.14 C ATOM 0 H ILE A 60 3.154 6.139 4.959 1.00 1.23 H new ATOM 0 HA ILE A 60 1.131 6.668 6.863 1.00 1.20 H new ATOM 0 HB ILE A 60 1.244 4.789 4.526 1.00 1.15 H new ATOM 0 HG12 ILE A 60 -0.261 7.389 5.103 1.00 1.14 H new ATOM 0 HG13 ILE A 60 1.272 7.332 4.255 1.00 1.14 H new ATOM 0 HG21 ILE A 60 -1.174 4.491 4.829 1.00 1.18 H new ATOM 0 HG22 ILE A 60 -0.260 3.817 6.199 1.00 1.18 H new ATOM 0 HG23 ILE A 60 -1.098 5.378 6.370 1.00 1.18 H new ATOM 0 HD11 ILE A 60 -0.599 7.515 2.670 1.00 1.14 H new ATOM 0 HD12 ILE A 60 0.243 5.962 2.458 1.00 1.14 H new ATOM 0 HD13 ILE A 60 -1.314 6.020 3.319 1.00 1.14 H new ATOM 1041 N TYR A 61 2.709 3.724 7.109 1.00 1.31 N ATOM 1042 CA TYR A 61 3.139 2.703 8.077 1.00 1.43 C ATOM 1043 C TYR A 61 3.642 3.315 9.406 1.00 1.53 C ATOM 1044 O TYR A 61 3.440 2.738 10.477 1.00 1.64 O ATOM 1045 CB TYR A 61 4.207 1.819 7.415 1.00 1.46 C ATOM 1046 CG TYR A 61 4.898 0.816 8.320 1.00 1.62 C ATOM 1047 CD1 TYR A 61 4.288 -0.420 8.618 1.00 1.68 C ATOM 1048 CD2 TYR A 61 6.178 1.111 8.832 1.00 1.73 C ATOM 1049 CE1 TYR A 61 4.957 -1.363 9.424 1.00 1.84 C ATOM 1050 CE2 TYR A 61 6.848 0.170 9.637 1.00 1.89 C ATOM 1051 CZ TYR A 61 6.242 -1.069 9.933 1.00 1.94 C ATOM 1052 OH TYR A 61 6.913 -1.971 10.699 1.00 2.11 O ATOM 0 H TYR A 61 3.158 3.628 6.198 1.00 1.31 H new ATOM 0 HA TYR A 61 2.277 2.094 8.349 1.00 1.43 H new ATOM 0 HB2 TYR A 61 3.741 1.275 6.593 1.00 1.46 H new ATOM 0 HB3 TYR A 61 4.967 2.467 6.978 1.00 1.46 H new ATOM 0 HD1 TYR A 61 3.306 -0.644 8.228 1.00 1.68 H new ATOM 0 HD2 TYR A 61 6.645 2.059 8.607 1.00 1.73 H new ATOM 0 HE1 TYR A 61 4.488 -2.309 9.652 1.00 1.84 H new ATOM 0 HE2 TYR A 61 7.828 0.397 10.029 1.00 1.89 H new ATOM 0 HH TYR A 61 6.698 -2.879 10.399 1.00 2.11 H new ATOM 1062 N ASP A 62 4.230 4.513 9.322 1.00 1.52 N ATOM 1063 CA ASP A 62 4.621 5.283 10.514 1.00 1.62 C ATOM 1064 C ASP A 62 3.399 5.757 11.320 1.00 1.61 C ATOM 1065 O ASP A 62 3.302 5.473 12.516 1.00 1.72 O ATOM 1066 CB ASP A 62 5.601 6.422 10.196 1.00 1.65 C ATOM 1067 CG ASP A 62 6.238 6.969 11.484 1.00 1.79 C ATOM 1068 OD1 ASP A 62 7.158 6.317 12.031 1.00 1.92 O ATOM 1069 OD2 ASP A 62 5.830 8.062 11.949 1.00 1.79 O ATOM 0 H ASP A 62 4.447 4.974 8.439 1.00 1.52 H new ATOM 0 HA ASP A 62 5.171 4.596 11.157 1.00 1.62 H new ATOM 0 HB2 ASP A 62 6.380 6.061 9.525 1.00 1.65 H new ATOM 0 HB3 ASP A 62 5.077 7.224 9.675 1.00 1.65 H new ATOM 1074 N GLU A 63 2.422 6.393 10.666 1.00 1.50 N ATOM 1075 CA GLU A 63 1.139 6.735 11.308 1.00 1.50 C ATOM 1076 C GLU A 63 0.312 5.509 11.772 1.00 1.56 C ATOM 1077 O GLU A 63 -0.314 5.566 12.833 1.00 1.66 O ATOM 1078 CB GLU A 63 0.335 7.628 10.350 1.00 1.41 C ATOM 1079 CG GLU A 63 -1.009 8.123 10.909 1.00 1.44 C ATOM 1080 CD GLU A 63 -0.891 8.948 12.202 1.00 1.53 C ATOM 1081 OE1 GLU A 63 -0.026 9.852 12.280 1.00 1.53 O ATOM 1082 OE2 GLU A 63 -1.727 8.779 13.120 1.00 1.61 O ATOM 0 H GLU A 63 2.491 6.684 9.691 1.00 1.50 H new ATOM 0 HA GLU A 63 1.366 7.271 12.230 1.00 1.50 H new ATOM 0 HB2 GLU A 63 0.943 8.493 10.085 1.00 1.41 H new ATOM 0 HB3 GLU A 63 0.149 7.075 9.430 1.00 1.41 H new ATOM 0 HG2 GLU A 63 -1.504 8.728 10.150 1.00 1.44 H new ATOM 0 HG3 GLU A 63 -1.650 7.262 11.098 1.00 1.44 H new ATOM 1089 N LEU A 64 0.333 4.385 11.038 1.00 1.54 N ATOM 1090 CA LEU A 64 -0.287 3.110 11.443 1.00 1.64 C ATOM 1091 C LEU A 64 0.362 2.522 12.709 1.00 1.79 C ATOM 1092 O LEU A 64 -0.286 1.758 13.432 1.00 1.90 O ATOM 1093 CB LEU A 64 -0.201 2.049 10.315 1.00 1.59 C ATOM 1094 CG LEU A 64 -0.945 2.343 9.001 1.00 1.48 C ATOM 1095 CD1 LEU A 64 -0.755 1.184 8.021 1.00 1.46 C ATOM 1096 CD2 LEU A 64 -2.442 2.587 9.202 1.00 1.53 C ATOM 0 H LEU A 64 0.790 4.335 10.128 1.00 1.54 H new ATOM 0 HA LEU A 64 -1.331 3.344 11.652 1.00 1.64 H new ATOM 0 HB2 LEU A 64 0.852 1.896 10.078 1.00 1.59 H new ATOM 0 HB3 LEU A 64 -0.579 1.106 10.711 1.00 1.59 H new ATOM 0 HG LEU A 64 -0.514 3.261 8.600 1.00 1.48 H new ATOM 0 HD11 LEU A 64 -1.285 1.401 7.094 1.00 1.46 H new ATOM 0 HD12 LEU A 64 0.307 1.056 7.810 1.00 1.46 H new ATOM 0 HD13 LEU A 64 -1.151 0.268 8.460 1.00 1.46 H new ATOM 0 HD21 LEU A 64 -2.910 2.789 8.239 1.00 1.53 H new ATOM 0 HD22 LEU A 64 -2.898 1.704 9.649 1.00 1.53 H new ATOM 0 HD23 LEU A 64 -2.586 3.443 9.862 1.00 1.53 H new ATOM 1108 N GLY A 65 1.675 2.427 12.701 1.00 1.82 N ATOM 1109 CA GLY A 65 2.317 1.834 13.859 1.00 2.01 C ATOM 1110 C GLY A 65 3.600 1.115 13.490 1.00 2.12 C ATOM 1111 O GLY A 65 4.041 1.175 12.349 1.00 1.99 O ATOM 0 H GLY A 65 2.293 2.734 11.950 1.00 1.82 H new ATOM 0 HA2 GLY A 65 2.535 2.612 14.591 1.00 2.01 H new ATOM 0 HA3 GLY A 65 1.632 1.132 14.334 1.00 2.01 H new ATOM 1115 N GLY A 66 4.175 0.378 14.441 1.00 2.43 N ATOM 1116 CA GLY A 66 5.353 -0.438 14.128 1.00 2.61 C ATOM 1117 C GLY A 66 5.002 -1.928 13.915 1.00 2.81 C ATOM 1118 O GLY A 66 4.115 -2.457 14.590 1.00 3.02 O ATOM 0 H GLY A 66 3.857 0.327 15.409 1.00 2.43 H new ATOM 0 HA2 GLY A 66 5.832 -0.049 13.229 1.00 2.61 H new ATOM 0 HA3 GLY A 66 6.077 -0.351 14.938 1.00 2.61 H new ATOM 1122 N ASN A 67 5.673 -2.587 12.954 1.00 2.79 N ATOM 1123 CA ASN A 67 5.484 -4.034 12.664 1.00 3.02 C ATOM 1124 C ASN A 67 6.839 -4.675 12.277 1.00 3.12 C ATOM 1125 O ASN A 67 7.248 -4.618 11.113 1.00 2.83 O ATOM 1126 CB ASN A 67 4.417 -4.237 11.564 1.00 2.85 C ATOM 1127 CG ASN A 67 4.350 -5.658 11.004 1.00 3.14 C ATOM 1128 OD1 ASN A 67 4.948 -5.956 9.974 1.00 3.57 O ATOM 1129 ND2 ASN A 67 3.604 -6.538 11.662 1.00 3.34 N ATOM 0 H ASN A 67 6.363 -2.138 12.352 1.00 2.79 H new ATOM 0 HA ASN A 67 5.119 -4.534 13.561 1.00 3.02 H new ATOM 0 HB2 ASN A 67 3.440 -3.973 11.969 1.00 2.85 H new ATOM 0 HB3 ASN A 67 4.620 -3.546 10.746 1.00 2.85 H new ATOM 0 HD21 ASN A 67 3.516 -7.493 11.314 1.00 3.34 H new ATOM 0 HD22 ASN A 67 3.120 -6.259 12.515 1.00 3.34 H new ATOM 1136 N PRO A 68 7.552 -5.288 13.253 1.00 3.59 N ATOM 1137 CA PRO A 68 8.888 -5.896 13.049 1.00 3.82 C ATOM 1138 C PRO A 68 9.048 -6.814 11.822 1.00 3.69 C ATOM 1139 O PRO A 68 8.307 -7.784 11.648 1.00 3.80 O ATOM 1140 CB PRO A 68 9.127 -6.716 14.328 1.00 4.46 C ATOM 1141 CG PRO A 68 7.886 -6.604 15.154 1.00 4.52 C ATOM 1142 CD PRO A 68 7.121 -5.415 14.653 1.00 3.98 C ATOM 0 HA PRO A 68 9.603 -5.096 12.857 1.00 3.82 H new ATOM 0 HB2 PRO A 68 9.337 -7.758 14.085 1.00 4.46 H new ATOM 0 HB3 PRO A 68 9.990 -6.336 14.875 1.00 4.46 H new ATOM 0 HG2 PRO A 68 7.286 -7.510 15.070 1.00 4.52 H new ATOM 0 HG3 PRO A 68 8.136 -6.484 16.208 1.00 4.52 H new ATOM 0 HD2 PRO A 68 6.045 -5.571 14.728 1.00 3.98 H new ATOM 0 HD3 PRO A 68 7.354 -4.518 15.227 1.00 3.98 H new ATOM 1150 N GLY A 69 10.050 -6.491 10.984 1.00 3.53 N ATOM 1151 CA GLY A 69 10.366 -7.309 9.811 1.00 3.44 C ATOM 1152 C GLY A 69 9.780 -6.815 8.495 1.00 2.86 C ATOM 1153 O GLY A 69 9.955 -7.463 7.467 1.00 2.82 O ATOM 0 H GLY A 69 10.648 -5.673 11.101 1.00 3.53 H new ATOM 0 HA2 GLY A 69 11.450 -7.365 9.709 1.00 3.44 H new ATOM 0 HA3 GLY A 69 10.010 -8.324 9.990 1.00 3.44 H new ATOM 1157 N SER A 70 9.132 -5.661 8.497 1.00 2.44 N ATOM 1158 CA SER A 70 8.514 -5.157 7.273 1.00 2.00 C ATOM 1159 C SER A 70 9.277 -3.992 6.651 1.00 1.53 C ATOM 1160 O SER A 70 9.859 -3.162 7.346 1.00 1.46 O ATOM 1161 CB SER A 70 7.077 -4.733 7.553 1.00 2.18 C ATOM 1162 OG SER A 70 6.218 -5.856 7.611 1.00 2.80 O ATOM 0 H SER A 70 9.019 -5.062 9.315 1.00 2.44 H new ATOM 0 HA SER A 70 8.537 -5.975 6.553 1.00 2.00 H new ATOM 0 HB2 SER A 70 7.032 -4.188 8.496 1.00 2.18 H new ATOM 0 HB3 SER A 70 6.737 -4.051 6.774 1.00 2.18 H new ATOM 0 HG SER A 70 6.003 -6.056 8.546 1.00 2.80 H new ATOM 1168 N THR A 71 9.245 -3.946 5.319 1.00 1.44 N ATOM 1169 CA THR A 71 9.900 -2.892 4.545 1.00 1.46 C ATOM 1170 C THR A 71 8.983 -2.456 3.394 1.00 1.45 C ATOM 1171 O THR A 71 9.318 -1.570 2.605 1.00 1.87 O ATOM 1172 CB THR A 71 11.278 -3.363 4.002 1.00 1.83 C ATOM 1173 OG1 THR A 71 11.765 -2.476 2.981 1.00 2.27 O ATOM 1174 CG2 THR A 71 11.181 -4.777 3.456 1.00 2.08 C ATOM 0 H THR A 71 8.764 -4.639 4.746 1.00 1.44 H new ATOM 0 HA THR A 71 10.083 -2.041 5.201 1.00 1.46 H new ATOM 0 HB THR A 71 11.983 -3.350 4.833 1.00 1.83 H new ATOM 0 HG1 THR A 71 11.085 -1.798 2.785 1.00 2.27 H new ATOM 0 HG21 THR A 71 12.155 -5.090 3.080 1.00 2.08 H new ATOM 0 HG22 THR A 71 10.865 -5.453 4.250 1.00 2.08 H new ATOM 0 HG23 THR A 71 10.453 -4.805 2.645 1.00 2.08 H new ATOM 1182 N SER A 72 7.802 -3.080 3.327 1.00 1.38 N ATOM 1183 CA SER A 72 6.818 -2.773 2.290 1.00 1.57 C ATOM 1184 C SER A 72 5.396 -3.115 2.760 1.00 1.49 C ATOM 1185 O SER A 72 4.515 -3.413 1.952 1.00 1.91 O ATOM 1186 CB SER A 72 7.169 -3.536 1.002 1.00 2.05 C ATOM 1187 OG SER A 72 6.609 -4.839 0.990 1.00 2.49 O ATOM 0 H SER A 72 7.506 -3.803 3.983 1.00 1.38 H new ATOM 0 HA SER A 72 6.846 -1.703 2.085 1.00 1.57 H new ATOM 0 HB2 SER A 72 6.807 -2.977 0.139 1.00 2.05 H new ATOM 0 HB3 SER A 72 8.252 -3.606 0.905 1.00 2.05 H new ATOM 0 HG SER A 72 7.274 -5.484 1.310 1.00 2.49 H new ATOM 1193 N ALA A 73 5.175 -3.028 4.075 1.00 1.18 N ATOM 1194 CA ALA A 73 3.876 -3.345 4.668 1.00 1.24 C ATOM 1195 C ALA A 73 2.767 -2.439 4.142 1.00 1.27 C ATOM 1196 O ALA A 73 1.717 -2.918 3.714 1.00 1.39 O ATOM 1197 CB ALA A 73 3.953 -3.248 6.183 1.00 1.32 C ATOM 0 H ALA A 73 5.883 -2.739 4.750 1.00 1.18 H new ATOM 0 HA ALA A 73 3.629 -4.367 4.380 1.00 1.24 H new ATOM 0 HB1 ALA A 73 2.980 -3.486 6.613 1.00 1.32 H new ATOM 0 HB2 ALA A 73 4.696 -3.953 6.555 1.00 1.32 H new ATOM 0 HB3 ALA A 73 4.238 -2.235 6.469 1.00 1.32 H new ATOM 1203 N ALA A 74 2.999 -1.132 4.184 1.00 1.27 N ATOM 1204 CA ALA A 74 2.012 -0.170 3.708 1.00 1.40 C ATOM 1205 C ALA A 74 2.065 -0.037 2.189 1.00 1.28 C ATOM 1206 O ALA A 74 1.159 0.524 1.575 1.00 1.34 O ATOM 1207 CB ALA A 74 2.227 1.178 4.369 1.00 1.61 C ATOM 0 H ALA A 74 3.859 -0.715 4.541 1.00 1.27 H new ATOM 0 HA ALA A 74 1.022 -0.537 3.979 1.00 1.40 H new ATOM 0 HB1 ALA A 74 1.483 1.885 4.003 1.00 1.61 H new ATOM 0 HB2 ALA A 74 2.128 1.073 5.449 1.00 1.61 H new ATOM 0 HB3 ALA A 74 3.225 1.546 4.130 1.00 1.61 H new ATOM 1213 N THR A 75 3.137 -0.555 1.589 1.00 1.16 N ATOM 1214 CA THR A 75 3.304 -0.518 0.142 1.00 1.15 C ATOM 1215 C THR A 75 2.237 -1.383 -0.530 1.00 1.20 C ATOM 1216 O THR A 75 1.780 -1.085 -1.633 1.00 1.25 O ATOM 1217 CB THR A 75 4.712 -1.000 -0.263 1.00 1.17 C ATOM 1218 OG1 THR A 75 5.704 -0.234 0.432 1.00 1.24 O ATOM 1219 CG2 THR A 75 4.933 -0.865 -1.762 1.00 1.66 C ATOM 0 H THR A 75 3.904 -1.006 2.088 1.00 1.16 H new ATOM 0 HA THR A 75 3.189 0.514 -0.190 1.00 1.15 H new ATOM 0 HB THR A 75 4.797 -2.053 0.005 1.00 1.17 H new ATOM 0 HG1 THR A 75 6.368 0.098 -0.207 1.00 1.24 H new ATOM 0 HG21 THR A 75 5.935 -1.213 -2.015 1.00 1.66 H new ATOM 0 HG22 THR A 75 4.195 -1.465 -2.294 1.00 1.66 H new ATOM 0 HG23 THR A 75 4.828 0.180 -2.053 1.00 1.66 H new ATOM 1227 N CYS A 76 1.854 -2.461 0.151 1.00 1.24 N ATOM 1228 CA CYS A 76 0.817 -3.367 -0.336 1.00 1.36 C ATOM 1229 C CYS A 76 -0.556 -2.694 -0.259 1.00 1.39 C ATOM 1230 O CYS A 76 -1.465 -3.011 -1.028 1.00 1.46 O ATOM 1231 CB CYS A 76 0.822 -4.655 0.483 1.00 1.46 C ATOM 1232 SG CYS A 76 2.424 -5.498 0.514 1.00 1.61 S ATOM 0 H CYS A 76 2.251 -2.730 1.051 1.00 1.24 H new ATOM 0 HA CYS A 76 1.025 -3.612 -1.378 1.00 1.36 H new ATOM 0 HB2 CYS A 76 0.524 -4.425 1.506 1.00 1.46 H new ATOM 0 HB3 CYS A 76 0.072 -5.335 0.078 1.00 1.46 H new ATOM 0 HG CYS A 76 3.305 -4.735 1.091 1.00 1.61 H new ATOM 1238 N THR A 77 -0.684 -1.775 0.700 1.00 1.35 N ATOM 1239 CA THR A 77 -1.914 -1.017 0.926 1.00 1.39 C ATOM 1240 C THR A 77 -2.230 -0.102 -0.265 1.00 1.34 C ATOM 1241 O THR A 77 -3.386 0.237 -0.502 1.00 1.38 O ATOM 1242 CB THR A 77 -1.808 -0.178 2.218 1.00 1.41 C ATOM 1243 OG1 THR A 77 -1.135 -0.931 3.235 1.00 1.48 O ATOM 1244 CG2 THR A 77 -3.183 0.224 2.726 1.00 1.49 C ATOM 0 H THR A 77 0.068 -1.535 1.345 1.00 1.35 H new ATOM 0 HA THR A 77 -2.727 -1.735 1.034 1.00 1.39 H new ATOM 0 HB THR A 77 -1.243 0.725 1.986 1.00 1.41 H new ATOM 0 HG1 THR A 77 -1.209 -0.462 4.092 1.00 1.48 H new ATOM 0 HG21 THR A 77 -3.076 0.814 3.637 1.00 1.49 H new ATOM 0 HG22 THR A 77 -3.692 0.818 1.967 1.00 1.49 H new ATOM 0 HG23 THR A 77 -3.768 -0.671 2.940 1.00 1.49 H new ATOM 1252 N ARG A 78 -1.179 0.308 -0.985 1.00 1.27 N ATOM 1253 CA ARG A 78 -1.306 1.171 -2.170 1.00 1.25 C ATOM 1254 C ARG A 78 -2.256 0.554 -3.204 1.00 1.30 C ATOM 1255 O ARG A 78 -3.082 1.243 -3.807 1.00 1.29 O ATOM 1256 CB ARG A 78 0.088 1.368 -2.790 1.00 1.25 C ATOM 1257 CG ARG A 78 0.106 2.105 -4.124 1.00 1.33 C ATOM 1258 CD ARG A 78 1.412 1.849 -4.871 1.00 1.40 C ATOM 1259 NE ARG A 78 1.655 2.825 -5.934 1.00 1.56 N ATOM 1260 CZ ARG A 78 2.867 3.110 -6.419 1.00 1.92 C ATOM 1261 NH1 ARG A 78 3.946 2.491 -5.947 1.00 2.01 N ATOM 1262 NH2 ARG A 78 2.999 4.014 -7.381 1.00 2.42 N ATOM 0 H ARG A 78 -0.217 0.052 -0.764 1.00 1.27 H new ATOM 0 HA ARG A 78 -1.722 2.132 -1.867 1.00 1.25 H new ATOM 0 HB2 ARG A 78 0.709 1.916 -2.082 1.00 1.25 H new ATOM 0 HB3 ARG A 78 0.549 0.390 -2.927 1.00 1.25 H new ATOM 0 HG2 ARG A 78 -0.736 1.780 -4.735 1.00 1.33 H new ATOM 0 HG3 ARG A 78 -0.017 3.175 -3.955 1.00 1.33 H new ATOM 0 HD2 ARG A 78 2.241 1.874 -4.164 1.00 1.40 H new ATOM 0 HD3 ARG A 78 1.390 0.848 -5.301 1.00 1.40 H new ATOM 0 HE ARG A 78 0.852 3.316 -6.328 1.00 1.56 H new ATOM 0 HH11 ARG A 78 3.852 1.793 -5.209 1.00 2.01 H new ATOM 0 HH12 ARG A 78 4.868 2.715 -6.323 1.00 2.01 H new ATOM 0 HH21 ARG A 78 2.176 4.491 -7.749 1.00 2.42 H new ATOM 0 HH22 ARG A 78 3.924 4.233 -7.752 1.00 2.42 H new ATOM 1276 N ARG A 79 -2.118 -0.753 -3.379 1.00 1.37 N ATOM 1277 CA ARG A 79 -2.911 -1.539 -4.318 1.00 1.45 C ATOM 1278 C ARG A 79 -4.351 -1.764 -3.845 1.00 1.48 C ATOM 1279 O ARG A 79 -5.251 -1.930 -4.669 1.00 1.54 O ATOM 1280 CB ARG A 79 -2.221 -2.874 -4.648 1.00 1.52 C ATOM 1281 CG ARG A 79 -0.797 -2.688 -5.208 1.00 1.51 C ATOM 1282 CD ARG A 79 -0.159 -4.018 -5.630 1.00 1.59 C ATOM 1283 NE ARG A 79 -0.803 -4.587 -6.833 1.00 1.67 N ATOM 1284 CZ ARG A 79 -0.535 -5.751 -7.396 1.00 1.76 C ATOM 1285 NH1 ARG A 79 0.368 -6.561 -6.919 1.00 1.79 N ATOM 1286 NH2 ARG A 79 -1.173 -6.131 -8.465 1.00 1.82 N ATOM 0 H ARG A 79 -1.437 -1.310 -2.862 1.00 1.37 H new ATOM 0 HA ARG A 79 -2.976 -0.949 -5.232 1.00 1.45 H new ATOM 0 HB2 ARG A 79 -2.175 -3.486 -3.747 1.00 1.52 H new ATOM 0 HB3 ARG A 79 -2.824 -3.420 -5.374 1.00 1.52 H new ATOM 0 HG2 ARG A 79 -0.831 -2.016 -6.065 1.00 1.51 H new ATOM 0 HG3 ARG A 79 -0.172 -2.211 -4.453 1.00 1.51 H new ATOM 0 HD2 ARG A 79 0.902 -3.864 -5.826 1.00 1.59 H new ATOM 0 HD3 ARG A 79 -0.232 -4.731 -4.809 1.00 1.59 H new ATOM 0 HE ARG A 79 -1.529 -4.022 -7.274 1.00 1.67 H new ATOM 0 HH11 ARG A 79 0.894 -6.303 -6.084 1.00 1.79 H new ATOM 0 HH12 ARG A 79 0.548 -7.453 -7.381 1.00 1.79 H new ATOM 0 HH21 ARG A 79 -1.886 -5.528 -8.875 1.00 1.82 H new ATOM 0 HH22 ARG A 79 -0.959 -7.032 -8.893 1.00 1.82 H new ATOM 1300 N HIS A 80 -4.580 -1.727 -2.532 1.00 1.47 N ATOM 1301 CA HIS A 80 -5.915 -1.708 -1.934 1.00 1.50 C ATOM 1302 C HIS A 80 -6.548 -0.314 -2.067 1.00 1.44 C ATOM 1303 O HIS A 80 -7.644 -0.196 -2.611 1.00 1.48 O ATOM 1304 CB HIS A 80 -5.827 -2.188 -0.474 1.00 1.52 C ATOM 1305 CG HIS A 80 -5.187 -3.552 -0.324 1.00 1.60 C ATOM 1306 ND1 HIS A 80 -4.396 -3.971 0.725 1.00 1.62 N ATOM 1307 CD2 HIS A 80 -5.277 -4.612 -1.196 1.00 1.68 C ATOM 1308 CE1 HIS A 80 -4.023 -5.242 0.493 1.00 1.70 C ATOM 1309 NE2 HIS A 80 -4.533 -5.678 -0.671 1.00 1.74 N ATOM 0 H HIS A 80 -3.829 -1.709 -1.842 1.00 1.47 H new ATOM 0 HA HIS A 80 -6.572 -2.394 -2.468 1.00 1.50 H new ATOM 0 HB2 HIS A 80 -5.256 -1.462 0.105 1.00 1.52 H new ATOM 0 HB3 HIS A 80 -6.830 -2.217 -0.048 1.00 1.52 H new ATOM 0 HD1 HIS A 80 -4.138 -3.412 1.538 1.00 1.62 H new ATOM 0 HD2 HIS A 80 -5.827 -4.621 -2.126 1.00 1.68 H new ATOM 0 HE1 HIS A 80 -3.400 -5.830 1.151 1.00 1.70 H new ATOM 1318 N TYR A 81 -5.843 0.760 -1.681 1.00 1.35 N ATOM 1319 CA TYR A 81 -6.348 2.143 -1.737 1.00 1.29 C ATOM 1320 C TYR A 81 -6.812 2.555 -3.141 1.00 1.32 C ATOM 1321 O TYR A 81 -7.849 3.210 -3.277 1.00 1.34 O ATOM 1322 CB TYR A 81 -5.256 3.093 -1.215 1.00 1.21 C ATOM 1323 CG TYR A 81 -5.680 4.542 -0.981 1.00 1.16 C ATOM 1324 CD1 TYR A 81 -5.905 5.411 -2.072 1.00 1.16 C ATOM 1325 CD2 TYR A 81 -5.793 5.042 0.332 1.00 1.14 C ATOM 1326 CE1 TYR A 81 -6.261 6.756 -1.851 1.00 1.14 C ATOM 1327 CE2 TYR A 81 -6.077 6.404 0.553 1.00 1.12 C ATOM 1328 CZ TYR A 81 -6.328 7.266 -0.536 1.00 1.12 C ATOM 1329 OH TYR A 81 -6.666 8.565 -0.306 1.00 1.11 O ATOM 0 H TYR A 81 -4.893 0.693 -1.316 1.00 1.35 H new ATOM 0 HA TYR A 81 -7.233 2.205 -1.103 1.00 1.29 H new ATOM 0 HB2 TYR A 81 -4.873 2.692 -0.277 1.00 1.21 H new ATOM 0 HB3 TYR A 81 -4.429 3.088 -1.925 1.00 1.21 H new ATOM 0 HD1 TYR A 81 -5.803 5.042 -3.082 1.00 1.16 H new ATOM 0 HD2 TYR A 81 -5.661 4.377 1.173 1.00 1.14 H new ATOM 0 HE1 TYR A 81 -6.483 7.399 -2.690 1.00 1.14 H new ATOM 0 HE2 TYR A 81 -6.103 6.791 1.561 1.00 1.12 H new ATOM 0 HH TYR A 81 -6.992 8.970 -1.137 1.00 1.11 H new ATOM 1339 N GLU A 82 -6.112 2.119 -4.201 1.00 1.34 N ATOM 1340 CA GLU A 82 -6.420 2.488 -5.583 1.00 1.39 C ATOM 1341 C GLU A 82 -7.714 1.843 -6.105 1.00 1.50 C ATOM 1342 O GLU A 82 -8.161 2.167 -7.208 1.00 1.56 O ATOM 1343 CB GLU A 82 -5.222 2.257 -6.517 1.00 1.40 C ATOM 1344 CG GLU A 82 -4.960 0.796 -6.866 1.00 1.46 C ATOM 1345 CD GLU A 82 -3.949 0.674 -8.020 1.00 1.49 C ATOM 1346 OE1 GLU A 82 -4.350 0.908 -9.189 1.00 1.56 O ATOM 1347 OE2 GLU A 82 -2.770 0.323 -7.774 1.00 1.46 O ATOM 0 H GLU A 82 -5.310 1.495 -4.117 1.00 1.34 H new ATOM 0 HA GLU A 82 -6.614 3.561 -5.579 1.00 1.39 H new ATOM 0 HB2 GLU A 82 -5.385 2.813 -7.440 1.00 1.40 H new ATOM 0 HB3 GLU A 82 -4.329 2.671 -6.049 1.00 1.40 H new ATOM 0 HG2 GLU A 82 -4.580 0.272 -5.989 1.00 1.46 H new ATOM 0 HG3 GLU A 82 -5.896 0.312 -7.146 1.00 1.46 H new ATOM 1354 N ARG A 83 -8.325 0.947 -5.308 1.00 1.53 N ATOM 1355 CA ARG A 83 -9.671 0.425 -5.581 1.00 1.64 C ATOM 1356 C ARG A 83 -10.661 0.608 -4.423 1.00 1.64 C ATOM 1357 O ARG A 83 -11.848 0.355 -4.619 1.00 1.73 O ATOM 1358 CB ARG A 83 -9.598 -1.060 -5.992 1.00 1.73 C ATOM 1359 CG ARG A 83 -8.809 -1.346 -7.277 1.00 1.75 C ATOM 1360 CD ARG A 83 -9.441 -0.711 -8.528 1.00 1.81 C ATOM 1361 NE ARG A 83 -8.618 -0.976 -9.724 1.00 1.84 N ATOM 1362 CZ ARG A 83 -7.507 -0.346 -10.065 1.00 1.78 C ATOM 1363 NH1 ARG A 83 -7.105 0.739 -9.474 1.00 1.68 N ATOM 1364 NH2 ARG A 83 -6.741 -0.809 -11.011 1.00 1.82 N ATOM 0 H ARG A 83 -7.900 0.568 -4.462 1.00 1.53 H new ATOM 0 HA ARG A 83 -10.060 1.022 -6.406 1.00 1.64 H new ATOM 0 HB2 ARG A 83 -9.148 -1.624 -5.175 1.00 1.73 H new ATOM 0 HB3 ARG A 83 -10.613 -1.436 -6.117 1.00 1.73 H new ATOM 0 HG2 ARG A 83 -7.791 -0.973 -7.162 1.00 1.75 H new ATOM 0 HG3 ARG A 83 -8.738 -2.424 -7.420 1.00 1.75 H new ATOM 0 HD2 ARG A 83 -10.445 -1.110 -8.676 1.00 1.81 H new ATOM 0 HD3 ARG A 83 -9.544 0.364 -8.383 1.00 1.81 H new ATOM 0 HE ARG A 83 -8.937 -1.717 -10.348 1.00 1.84 H new ATOM 0 HH11 ARG A 83 -7.654 1.139 -8.713 1.00 1.68 H new ATOM 0 HH12 ARG A 83 -6.240 1.191 -9.771 1.00 1.68 H new ATOM 0 HH21 ARG A 83 -6.996 -1.668 -11.499 1.00 1.82 H new ATOM 0 HH22 ARG A 83 -5.887 -0.313 -11.264 1.00 1.82 H new ATOM 1378 N LEU A 84 -10.203 1.070 -3.255 1.00 1.56 N ATOM 1379 CA LEU A 84 -11.016 1.056 -2.035 1.00 1.57 C ATOM 1380 C LEU A 84 -11.324 2.468 -1.509 1.00 1.51 C ATOM 1381 O LEU A 84 -12.166 2.619 -0.632 1.00 1.54 O ATOM 1382 CB LEU A 84 -10.246 0.193 -1.021 1.00 1.56 C ATOM 1383 CG LEU A 84 -10.977 -0.135 0.282 1.00 1.61 C ATOM 1384 CD1 LEU A 84 -12.269 -0.911 0.053 1.00 1.73 C ATOM 1385 CD2 LEU A 84 -10.071 -0.980 1.173 1.00 1.61 C ATOM 0 H LEU A 84 -9.269 1.460 -3.129 1.00 1.56 H new ATOM 0 HA LEU A 84 -12.002 0.633 -2.230 1.00 1.57 H new ATOM 0 HB2 LEU A 84 -9.974 -0.744 -1.506 1.00 1.56 H new ATOM 0 HB3 LEU A 84 -9.316 0.705 -0.772 1.00 1.56 H new ATOM 0 HG LEU A 84 -11.228 0.816 0.751 1.00 1.61 H new ATOM 0 HD11 LEU A 84 -12.745 -1.116 1.012 1.00 1.73 H new ATOM 0 HD12 LEU A 84 -12.943 -0.321 -0.568 1.00 1.73 H new ATOM 0 HD13 LEU A 84 -12.044 -1.852 -0.449 1.00 1.73 H new ATOM 0 HD21 LEU A 84 -10.591 -1.215 2.102 1.00 1.61 H new ATOM 0 HD22 LEU A 84 -9.814 -1.905 0.657 1.00 1.61 H new ATOM 0 HD23 LEU A 84 -9.160 -0.425 1.397 1.00 1.61 H new ATOM 1397 N ILE A 85 -10.674 3.503 -2.057 1.00 1.44 N ATOM 1398 CA ILE A 85 -11.080 4.900 -1.809 1.00 1.41 C ATOM 1399 C ILE A 85 -10.609 5.883 -2.878 1.00 1.39 C ATOM 1400 O ILE A 85 -11.277 6.893 -3.061 1.00 1.42 O ATOM 1401 CB ILE A 85 -10.704 5.365 -0.390 1.00 1.35 C ATOM 1402 CG1 ILE A 85 -11.393 6.712 -0.067 1.00 1.35 C ATOM 1403 CG2 ILE A 85 -9.188 5.444 -0.191 1.00 1.26 C ATOM 1404 CD1 ILE A 85 -11.577 6.972 1.429 1.00 1.33 C ATOM 0 H ILE A 85 -9.867 3.404 -2.673 1.00 1.44 H new ATOM 0 HA ILE A 85 -12.168 4.901 -1.879 1.00 1.41 H new ATOM 0 HB ILE A 85 -11.067 4.616 0.314 1.00 1.35 H new ATOM 0 HG12 ILE A 85 -10.804 7.522 -0.497 1.00 1.35 H new ATOM 0 HG13 ILE A 85 -12.369 6.735 -0.552 1.00 1.35 H new ATOM 0 HG21 ILE A 85 -8.971 5.776 0.824 1.00 1.26 H new ATOM 0 HG22 ILE A 85 -8.748 4.460 -0.353 1.00 1.26 H new ATOM 0 HG23 ILE A 85 -8.764 6.152 -0.903 1.00 1.26 H new ATOM 0 HD11 ILE A 85 -12.067 7.935 1.573 1.00 1.33 H new ATOM 0 HD12 ILE A 85 -12.192 6.184 1.862 1.00 1.33 H new ATOM 0 HD13 ILE A 85 -10.603 6.983 1.919 1.00 1.33 H new ATOM 1416 N LEU A 86 -9.570 5.587 -3.666 1.00 1.37 N ATOM 1417 CA LEU A 86 -9.248 6.369 -4.868 1.00 1.39 C ATOM 1418 C LEU A 86 -10.476 6.619 -5.787 1.00 1.49 C ATOM 1419 O LEU A 86 -10.636 7.756 -6.241 1.00 1.52 O ATOM 1420 CB LEU A 86 -8.085 5.684 -5.603 1.00 1.37 C ATOM 1421 CG LEU A 86 -7.587 6.382 -6.881 1.00 1.41 C ATOM 1422 CD1 LEU A 86 -7.133 7.823 -6.627 1.00 1.37 C ATOM 1423 CD2 LEU A 86 -6.414 5.615 -7.480 1.00 1.40 C ATOM 0 H LEU A 86 -8.934 4.808 -3.493 1.00 1.37 H new ATOM 0 HA LEU A 86 -8.939 7.368 -4.560 1.00 1.39 H new ATOM 0 HB2 LEU A 86 -7.247 5.595 -4.912 1.00 1.37 H new ATOM 0 HB3 LEU A 86 -8.392 4.671 -5.863 1.00 1.37 H new ATOM 0 HG LEU A 86 -8.433 6.400 -7.568 1.00 1.41 H new ATOM 0 HD11 LEU A 86 -6.792 8.267 -7.562 1.00 1.37 H new ATOM 0 HD12 LEU A 86 -7.967 8.403 -6.233 1.00 1.37 H new ATOM 0 HD13 LEU A 86 -6.316 7.825 -5.905 1.00 1.37 H new ATOM 0 HD21 LEU A 86 -6.072 6.120 -8.383 1.00 1.40 H new ATOM 0 HD22 LEU A 86 -5.599 5.573 -6.757 1.00 1.40 H new ATOM 0 HD23 LEU A 86 -6.731 4.602 -7.729 1.00 1.40 H new ATOM 1435 N PRO A 87 -11.393 5.648 -6.022 1.00 1.58 N ATOM 1436 CA PRO A 87 -12.640 5.912 -6.750 1.00 1.69 C ATOM 1437 C PRO A 87 -13.710 6.701 -5.965 1.00 1.71 C ATOM 1438 O PRO A 87 -14.629 7.219 -6.606 1.00 1.80 O ATOM 1439 CB PRO A 87 -13.170 4.537 -7.175 1.00 1.78 C ATOM 1440 CG PRO A 87 -12.617 3.596 -6.112 1.00 1.71 C ATOM 1441 CD PRO A 87 -11.251 4.205 -5.815 1.00 1.59 C ATOM 0 HA PRO A 87 -12.421 6.567 -7.593 1.00 1.69 H new ATOM 0 HB2 PRO A 87 -14.260 4.518 -7.200 1.00 1.78 H new ATOM 0 HB3 PRO A 87 -12.823 4.264 -8.172 1.00 1.78 H new ATOM 0 HG2 PRO A 87 -13.251 3.567 -5.225 1.00 1.71 H new ATOM 0 HG3 PRO A 87 -12.535 2.573 -6.478 1.00 1.71 H new ATOM 0 HD2 PRO A 87 -10.942 3.987 -4.793 1.00 1.59 H new ATOM 0 HD3 PRO A 87 -10.488 3.790 -6.474 1.00 1.59 H new ATOM 1449 N TYR A 88 -13.623 6.826 -4.629 1.00 1.63 N ATOM 1450 CA TYR A 88 -14.652 7.514 -3.824 1.00 1.66 C ATOM 1451 C TYR A 88 -14.217 8.886 -3.276 1.00 1.59 C ATOM 1452 O TYR A 88 -15.046 9.790 -3.229 1.00 1.64 O ATOM 1453 CB TYR A 88 -15.229 6.570 -2.751 1.00 1.68 C ATOM 1454 CG TYR A 88 -16.616 6.016 -3.075 1.00 1.80 C ATOM 1455 CD1 TYR A 88 -16.948 5.594 -4.382 1.00 1.89 C ATOM 1456 CD2 TYR A 88 -17.589 5.925 -2.059 1.00 1.84 C ATOM 1457 CE1 TYR A 88 -18.234 5.095 -4.667 1.00 2.01 C ATOM 1458 CE2 TYR A 88 -18.880 5.434 -2.340 1.00 1.97 C ATOM 1459 CZ TYR A 88 -19.205 5.014 -3.647 1.00 2.05 C ATOM 1460 OH TYR A 88 -20.446 4.530 -3.930 1.00 2.17 O ATOM 0 H TYR A 88 -12.846 6.458 -4.080 1.00 1.63 H new ATOM 0 HA TYR A 88 -15.465 7.766 -4.505 1.00 1.66 H new ATOM 0 HB2 TYR A 88 -14.542 5.736 -2.612 1.00 1.68 H new ATOM 0 HB3 TYR A 88 -15.278 7.105 -1.803 1.00 1.68 H new ATOM 0 HD1 TYR A 88 -16.210 5.655 -5.168 1.00 1.89 H new ATOM 0 HD2 TYR A 88 -17.343 6.235 -1.054 1.00 1.84 H new ATOM 0 HE1 TYR A 88 -18.477 4.774 -5.669 1.00 2.01 H new ATOM 0 HE2 TYR A 88 -19.620 5.379 -1.555 1.00 1.97 H new ATOM 0 HH TYR A 88 -20.994 4.540 -3.118 1.00 2.17 H new ATOM 1470 N GLU A 89 -12.929 9.144 -3.007 1.00 1.50 N ATOM 1471 CA GLU A 89 -12.441 10.517 -2.740 1.00 1.46 C ATOM 1472 C GLU A 89 -12.744 11.481 -3.915 1.00 1.53 C ATOM 1473 O GLU A 89 -12.748 12.699 -3.745 1.00 1.55 O ATOM 1474 CB GLU A 89 -10.946 10.550 -2.356 1.00 1.36 C ATOM 1475 CG GLU A 89 -9.967 10.210 -3.494 1.00 1.35 C ATOM 1476 CD GLU A 89 -8.514 10.568 -3.122 1.00 1.27 C ATOM 1477 OE1 GLU A 89 -7.868 9.814 -2.356 1.00 1.21 O ATOM 1478 OE2 GLU A 89 -8.006 11.609 -3.615 1.00 1.29 O ATOM 0 H GLU A 89 -12.204 8.427 -2.967 1.00 1.50 H new ATOM 0 HA GLU A 89 -12.998 10.873 -1.873 1.00 1.46 H new ATOM 0 HB2 GLU A 89 -10.707 11.544 -1.978 1.00 1.36 H new ATOM 0 HB3 GLU A 89 -10.783 9.850 -1.537 1.00 1.36 H new ATOM 0 HG2 GLU A 89 -10.032 9.147 -3.725 1.00 1.35 H new ATOM 0 HG3 GLU A 89 -10.255 10.750 -4.396 1.00 1.35 H new ATOM 1485 N ARG A 90 -13.091 10.902 -5.075 1.00 1.61 N ATOM 1486 CA ARG A 90 -13.624 11.655 -6.217 1.00 1.71 C ATOM 1487 C ARG A 90 -14.815 12.566 -5.865 1.00 1.78 C ATOM 1488 O ARG A 90 -14.890 13.665 -6.414 1.00 1.83 O ATOM 1489 CB ARG A 90 -13.965 10.649 -7.334 1.00 1.78 C ATOM 1490 CG ARG A 90 -14.245 11.324 -8.684 1.00 1.89 C ATOM 1491 CD ARG A 90 -14.411 10.271 -9.786 1.00 1.97 C ATOM 1492 NE ARG A 90 -14.638 10.897 -11.102 1.00 2.08 N ATOM 1493 CZ ARG A 90 -14.623 10.294 -12.277 1.00 2.16 C ATOM 1494 NH1 ARG A 90 -14.413 9.012 -12.400 1.00 2.15 N ATOM 1495 NH2 ARG A 90 -14.823 10.974 -13.370 1.00 2.25 N ATOM 0 H ARG A 90 -13.009 9.900 -5.246 1.00 1.61 H new ATOM 0 HA ARG A 90 -12.858 12.351 -6.559 1.00 1.71 H new ATOM 0 HB2 ARG A 90 -13.138 9.948 -7.449 1.00 1.78 H new ATOM 0 HB3 ARG A 90 -14.837 10.067 -7.037 1.00 1.78 H new ATOM 0 HG2 ARG A 90 -15.148 11.931 -8.614 1.00 1.89 H new ATOM 0 HG3 ARG A 90 -13.427 11.998 -8.937 1.00 1.89 H new ATOM 0 HD2 ARG A 90 -13.520 9.644 -9.829 1.00 1.97 H new ATOM 0 HD3 ARG A 90 -15.249 9.618 -9.543 1.00 1.97 H new ATOM 0 HE ARG A 90 -14.826 11.900 -11.105 1.00 2.08 H new ATOM 0 HH11 ARG A 90 -14.253 8.440 -11.571 1.00 2.15 H new ATOM 0 HH12 ARG A 90 -14.409 8.582 -13.325 1.00 2.15 H new ATOM 0 HH21 ARG A 90 -14.993 11.979 -13.322 1.00 2.25 H new ATOM 0 HH22 ARG A 90 -14.810 10.502 -14.274 1.00 2.25 H new ATOM 1509 N PHE A 91 -15.699 12.191 -4.926 1.00 1.78 N ATOM 1510 CA PHE A 91 -16.750 13.113 -4.444 1.00 1.84 C ATOM 1511 C PHE A 91 -16.210 14.199 -3.492 1.00 1.78 C ATOM 1512 O PHE A 91 -16.737 15.311 -3.472 1.00 1.84 O ATOM 1513 CB PHE A 91 -17.961 12.365 -3.842 1.00 1.89 C ATOM 1514 CG PHE A 91 -17.773 11.656 -2.506 1.00 1.82 C ATOM 1515 CD1 PHE A 91 -17.653 12.390 -1.306 1.00 1.77 C ATOM 1516 CD2 PHE A 91 -17.773 10.248 -2.449 1.00 1.81 C ATOM 1517 CE1 PHE A 91 -17.432 11.725 -0.086 1.00 1.71 C ATOM 1518 CE2 PHE A 91 -17.542 9.587 -1.232 1.00 1.76 C ATOM 1519 CZ PHE A 91 -17.340 10.325 -0.059 1.00 1.70 C ATOM 0 H PHE A 91 -15.711 11.270 -4.488 1.00 1.78 H new ATOM 0 HA PHE A 91 -17.110 13.637 -5.329 1.00 1.84 H new ATOM 0 HB2 PHE A 91 -18.773 13.083 -3.728 1.00 1.89 H new ATOM 0 HB3 PHE A 91 -18.291 11.624 -4.570 1.00 1.89 H new ATOM 0 HD1 PHE A 91 -17.731 13.467 -1.325 1.00 1.77 H new ATOM 0 HD2 PHE A 91 -17.952 9.674 -3.346 1.00 1.81 H new ATOM 0 HE1 PHE A 91 -17.333 12.291 0.828 1.00 1.71 H new ATOM 0 HE2 PHE A 91 -17.520 8.508 -1.200 1.00 1.76 H new ATOM 0 HZ PHE A 91 -17.113 9.817 0.866 1.00 1.70 H new ATOM 1529 N ILE A 92 -15.129 13.920 -2.751 1.00 1.67 N ATOM 1530 CA ILE A 92 -14.530 14.904 -1.825 1.00 1.62 C ATOM 1531 C ILE A 92 -13.765 15.967 -2.625 1.00 1.64 C ATOM 1532 O ILE A 92 -13.867 17.163 -2.361 1.00 1.69 O ATOM 1533 CB ILE A 92 -13.590 14.200 -0.809 1.00 1.52 C ATOM 1534 CG1 ILE A 92 -14.317 13.052 -0.068 1.00 1.51 C ATOM 1535 CG2 ILE A 92 -13.033 15.222 0.203 1.00 1.49 C ATOM 1536 CD1 ILE A 92 -13.434 12.221 0.870 1.00 1.43 C ATOM 0 H ILE A 92 -14.647 13.021 -2.772 1.00 1.67 H new ATOM 0 HA ILE A 92 -15.327 15.390 -1.262 1.00 1.62 H new ATOM 0 HB ILE A 92 -12.761 13.765 -1.367 1.00 1.52 H new ATOM 0 HG12 ILE A 92 -15.137 13.476 0.511 1.00 1.51 H new ATOM 0 HG13 ILE A 92 -14.761 12.386 -0.808 1.00 1.51 H new ATOM 0 HG21 ILE A 92 -12.376 14.714 0.909 1.00 1.49 H new ATOM 0 HG22 ILE A 92 -12.471 15.990 -0.328 1.00 1.49 H new ATOM 0 HG23 ILE A 92 -13.858 15.685 0.744 1.00 1.49 H new ATOM 0 HD11 ILE A 92 -14.035 11.443 1.341 1.00 1.43 H new ATOM 0 HD12 ILE A 92 -12.628 11.761 0.298 1.00 1.43 H new ATOM 0 HD13 ILE A 92 -13.010 12.868 1.638 1.00 1.43 H new ATOM 1548 N LYS A 93 -13.045 15.517 -3.654 1.00 1.63 N ATOM 1549 CA LYS A 93 -12.134 16.368 -4.432 1.00 1.66 C ATOM 1550 C LYS A 93 -12.795 16.984 -5.675 1.00 1.78 C ATOM 1551 O LYS A 93 -12.183 17.801 -6.364 1.00 1.82 O ATOM 1552 CB LYS A 93 -10.928 15.481 -4.771 1.00 1.58 C ATOM 1553 CG LYS A 93 -9.660 16.264 -5.127 1.00 1.58 C ATOM 1554 CD LYS A 93 -8.424 15.368 -4.981 1.00 1.49 C ATOM 1555 CE LYS A 93 -8.437 14.193 -5.968 1.00 1.50 C ATOM 1556 NZ LYS A 93 -7.297 13.284 -5.717 1.00 1.41 N ATOM 0 H LYS A 93 -13.075 14.549 -3.975 1.00 1.63 H new ATOM 0 HA LYS A 93 -11.829 17.241 -3.855 1.00 1.66 H new ATOM 0 HB2 LYS A 93 -10.716 14.833 -3.921 1.00 1.58 H new ATOM 0 HB3 LYS A 93 -11.190 14.833 -5.608 1.00 1.58 H new ATOM 0 HG2 LYS A 93 -9.729 16.637 -6.149 1.00 1.58 H new ATOM 0 HG3 LYS A 93 -9.566 17.134 -4.476 1.00 1.58 H new ATOM 0 HD2 LYS A 93 -7.525 15.964 -5.140 1.00 1.49 H new ATOM 0 HD3 LYS A 93 -8.375 14.983 -3.962 1.00 1.49 H new ATOM 0 HE2 LYS A 93 -9.374 13.644 -5.874 1.00 1.50 H new ATOM 0 HE3 LYS A 93 -8.390 14.570 -6.990 1.00 1.50 H new ATOM 0 HZ1 LYS A 93 -7.245 12.574 -6.475 1.00 1.41 H new ATOM 0 HZ2 LYS A 93 -6.414 13.833 -5.696 1.00 1.41 H new ATOM 0 HZ3 LYS A 93 -7.429 12.805 -4.803 1.00 1.41 H new ATOM 1570 N GLY A 94 -14.054 16.612 -5.924 1.00 1.84 N ATOM 1571 CA GLY A 94 -14.833 17.122 -7.057 1.00 1.97 C ATOM 1572 C GLY A 94 -16.118 17.854 -6.653 1.00 2.05 C ATOM 1573 O GLY A 94 -16.637 18.623 -7.459 1.00 2.15 O ATOM 0 H GLY A 94 -14.564 15.946 -5.343 1.00 1.84 H new ATOM 0 HA2 GLY A 94 -14.208 17.800 -7.638 1.00 1.97 H new ATOM 0 HA3 GLY A 94 -15.092 16.289 -7.711 1.00 1.97 H new ATOM 1577 N GLU A 95 -16.618 17.666 -5.421 1.00 2.00 N ATOM 1578 CA GLU A 95 -17.891 18.253 -4.952 1.00 2.08 C ATOM 1579 C GLU A 95 -17.871 18.722 -3.479 1.00 2.02 C ATOM 1580 O GLU A 95 -18.920 18.866 -2.844 1.00 2.07 O ATOM 1581 CB GLU A 95 -19.068 17.282 -5.214 1.00 2.13 C ATOM 1582 CG GLU A 95 -19.266 16.892 -6.685 1.00 2.21 C ATOM 1583 CD GLU A 95 -20.544 16.053 -6.865 1.00 2.29 C ATOM 1584 OE1 GLU A 95 -21.635 16.634 -7.094 1.00 2.40 O ATOM 1585 OE2 GLU A 95 -20.471 14.801 -6.797 1.00 2.26 O ATOM 0 H GLU A 95 -16.149 17.099 -4.715 1.00 2.00 H new ATOM 0 HA GLU A 95 -18.034 19.160 -5.539 1.00 2.08 H new ATOM 0 HB2 GLU A 95 -18.909 16.375 -4.631 1.00 2.13 H new ATOM 0 HB3 GLU A 95 -19.987 17.740 -4.847 1.00 2.13 H new ATOM 0 HG2 GLU A 95 -19.327 17.791 -7.298 1.00 2.21 H new ATOM 0 HG3 GLU A 95 -18.403 16.326 -7.034 1.00 2.21 H new ATOM 1592 N GLU A 96 -16.684 19.002 -2.926 1.00 1.94 N ATOM 1593 CA GLU A 96 -16.527 19.576 -1.575 1.00 1.90 C ATOM 1594 C GLU A 96 -15.252 20.428 -1.383 1.00 1.87 C ATOM 1595 O GLU A 96 -15.335 21.538 -0.856 1.00 1.92 O ATOM 1596 CB GLU A 96 -16.595 18.453 -0.517 1.00 1.82 C ATOM 1597 CG GLU A 96 -16.727 19.007 0.907 1.00 1.81 C ATOM 1598 CD GLU A 96 -16.950 17.874 1.928 1.00 1.76 C ATOM 1599 OE1 GLU A 96 -18.124 17.510 2.189 1.00 1.81 O ATOM 1600 OE2 GLU A 96 -15.958 17.355 2.493 1.00 1.68 O ATOM 0 H GLU A 96 -15.798 18.837 -3.403 1.00 1.94 H new ATOM 0 HA GLU A 96 -17.357 20.271 -1.445 1.00 1.90 H new ATOM 0 HB2 GLU A 96 -17.444 17.804 -0.733 1.00 1.82 H new ATOM 0 HB3 GLU A 96 -15.698 17.838 -0.584 1.00 1.82 H new ATOM 0 HG2 GLU A 96 -15.827 19.563 1.168 1.00 1.81 H new ATOM 0 HG3 GLU A 96 -17.560 19.709 0.951 1.00 1.81 H new ATOM 1607 N ASP A 97 -14.091 19.906 -1.774 1.00 1.80 N ATOM 1608 CA ASP A 97 -12.835 20.641 -1.607 1.00 1.78 C ATOM 1609 C ASP A 97 -11.653 19.869 -2.183 1.00 1.87 C ATOM 1610 O ASP A 97 -11.604 18.642 -2.113 1.00 2.33 O ATOM 1611 CB ASP A 97 -12.577 20.921 -0.120 1.00 1.78 C ATOM 1612 CG ASP A 97 -11.547 22.011 0.104 1.00 2.14 C ATOM 1613 OD1 ASP A 97 -11.912 23.202 0.004 1.00 2.70 O ATOM 1614 OD2 ASP A 97 -10.376 21.676 0.382 1.00 2.20 O ATOM 0 H ASP A 97 -13.992 18.987 -2.205 1.00 1.80 H new ATOM 0 HA ASP A 97 -12.933 21.581 -2.150 1.00 1.78 H new ATOM 0 HB2 ASP A 97 -13.513 21.209 0.358 1.00 1.78 H new ATOM 0 HB3 ASP A 97 -12.240 20.004 0.364 1.00 1.78 H new ATOM 1619 N LYS A 98 -10.694 20.600 -2.737 1.00 1.90 N ATOM 1620 CA LYS A 98 -9.502 19.989 -3.308 1.00 2.13 C ATOM 1621 C LYS A 98 -8.254 20.458 -2.563 1.00 2.94 C ATOM 1622 O LYS A 98 -7.632 21.451 -2.945 1.00 3.42 O ATOM 1623 CB LYS A 98 -9.390 20.336 -4.795 1.00 2.05 C ATOM 1624 CG LYS A 98 -8.272 19.599 -5.518 1.00 2.30 C ATOM 1625 CD LYS A 98 -8.203 19.996 -6.984 1.00 2.83 C ATOM 1626 CE LYS A 98 -9.443 19.550 -7.743 1.00 3.09 C ATOM 1627 NZ LYS A 98 -9.371 19.900 -9.188 1.00 3.68 N ATOM 0 H LYS A 98 -10.719 21.618 -2.803 1.00 1.90 H new ATOM 0 HA LYS A 98 -9.583 18.907 -3.204 1.00 2.13 H new ATOM 0 HB2 LYS A 98 -10.337 20.108 -5.284 1.00 2.05 H new ATOM 0 HB3 LYS A 98 -9.229 21.409 -4.896 1.00 2.05 H new ATOM 0 HG2 LYS A 98 -7.319 19.817 -5.035 1.00 2.30 H new ATOM 0 HG3 LYS A 98 -8.432 18.524 -5.438 1.00 2.30 H new ATOM 0 HD2 LYS A 98 -8.096 21.078 -7.064 1.00 2.83 H new ATOM 0 HD3 LYS A 98 -7.317 19.553 -7.440 1.00 2.83 H new ATOM 0 HE2 LYS A 98 -9.564 18.472 -7.637 1.00 3.09 H new ATOM 0 HE3 LYS A 98 -10.325 20.015 -7.301 1.00 3.09 H new ATOM 0 HZ1 LYS A 98 -10.236 19.578 -9.667 1.00 3.68 H new ATOM 0 HZ2 LYS A 98 -9.282 20.931 -9.291 1.00 3.68 H new ATOM 0 HZ3 LYS A 98 -8.545 19.436 -9.617 1.00 3.68 H new ATOM 1641 N PRO A 99 -7.881 19.765 -1.469 1.00 3.57 N ATOM 1642 CA PRO A 99 -6.703 20.115 -0.678 1.00 4.60 C ATOM 1643 C PRO A 99 -5.428 19.469 -1.219 1.00 4.87 C ATOM 1644 O PRO A 99 -4.342 19.657 -0.671 1.00 5.78 O ATOM 1645 CB PRO A 99 -7.056 19.551 0.695 1.00 5.30 C ATOM 1646 CG PRO A 99 -7.859 18.327 0.398 1.00 4.88 C ATOM 1647 CD PRO A 99 -8.582 18.591 -0.904 1.00 3.76 C ATOM 0 HA PRO A 99 -6.492 21.184 -0.683 1.00 4.60 H new ATOM 0 HB2 PRO A 99 -6.161 19.310 1.268 1.00 5.30 H new ATOM 0 HB3 PRO A 99 -7.628 20.268 1.284 1.00 5.30 H new ATOM 0 HG2 PRO A 99 -7.215 17.452 0.313 1.00 4.88 H new ATOM 0 HG3 PRO A 99 -8.568 18.124 1.201 1.00 4.88 H new ATOM 0 HD2 PRO A 99 -8.526 17.732 -1.573 1.00 3.76 H new ATOM 0 HD3 PRO A 99 -9.639 18.798 -0.739 1.00 3.76 H new ATOM 1655 N LEU A 100 -5.575 18.709 -2.302 1.00 4.16 N ATOM 1656 CA LEU A 100 -4.450 18.026 -2.928 1.00 4.45 C ATOM 1657 C LEU A 100 -4.234 18.544 -4.348 1.00 4.49 C ATOM 1658 O LEU A 100 -4.933 18.135 -5.277 1.00 4.18 O ATOM 1659 CB LEU A 100 -4.701 16.516 -2.969 1.00 4.19 C ATOM 1660 CG LEU A 100 -5.258 15.901 -1.683 1.00 4.60 C ATOM 1661 CD1 LEU A 100 -5.665 14.455 -1.920 1.00 4.86 C ATOM 1662 CD2 LEU A 100 -4.238 15.992 -0.559 1.00 4.95 C ATOM 0 H LEU A 100 -6.470 18.551 -2.765 1.00 4.16 H new ATOM 0 HA LEU A 100 -3.557 18.226 -2.335 1.00 4.45 H new ATOM 0 HB2 LEU A 100 -5.395 16.304 -3.782 1.00 4.19 H new ATOM 0 HB3 LEU A 100 -3.763 16.017 -3.212 1.00 4.19 H new ATOM 0 HG LEU A 100 -6.142 16.465 -1.387 1.00 4.60 H new ATOM 0 HD11 LEU A 100 -6.059 14.032 -0.996 1.00 4.86 H new ATOM 0 HD12 LEU A 100 -6.432 14.415 -2.693 1.00 4.86 H new ATOM 0 HD13 LEU A 100 -4.796 13.880 -2.241 1.00 4.86 H new ATOM 0 HD21 LEU A 100 -4.654 15.549 0.346 1.00 4.95 H new ATOM 0 HD22 LEU A 100 -3.334 15.454 -0.844 1.00 4.95 H new ATOM 0 HD23 LEU A 100 -3.994 17.038 -0.373 1.00 4.95 H new ATOM 1674 N PRO A 101 -3.264 19.456 -4.535 1.00 5.19 N ATOM 1675 CA PRO A 101 -2.961 20.029 -5.848 1.00 5.67 C ATOM 1676 C PRO A 101 -2.098 19.098 -6.706 1.00 5.64 C ATOM 1677 O PRO A 101 -1.409 18.222 -6.182 1.00 5.32 O ATOM 1678 CB PRO A 101 -2.205 21.306 -5.488 1.00 6.54 C ATOM 1679 CG PRO A 101 -1.501 20.976 -4.216 1.00 6.50 C ATOM 1680 CD PRO A 101 -2.391 20.007 -3.478 1.00 5.81 C ATOM 0 HA PRO A 101 -3.854 20.200 -6.449 1.00 5.67 H new ATOM 0 HB2 PRO A 101 -1.500 21.584 -6.271 1.00 6.54 H new ATOM 0 HB3 PRO A 101 -2.886 22.147 -5.358 1.00 6.54 H new ATOM 0 HG2 PRO A 101 -0.525 20.533 -4.415 1.00 6.50 H new ATOM 0 HG3 PRO A 101 -1.328 21.874 -3.623 1.00 6.50 H new ATOM 0 HD2 PRO A 101 -1.811 19.224 -2.989 1.00 5.81 H new ATOM 0 HD3 PRO A 101 -2.970 20.507 -2.701 1.00 5.81 H new ATOM 1688 N PRO A 102 -2.134 19.274 -8.043 1.00 6.15 N ATOM 1689 CA PRO A 102 -1.361 18.442 -8.980 1.00 6.45 C ATOM 1690 C PRO A 102 0.146 18.716 -8.960 1.00 6.96 C ATOM 1691 O PRO A 102 0.911 18.026 -9.636 1.00 7.31 O ATOM 1692 CB PRO A 102 -1.941 18.819 -10.345 1.00 7.14 C ATOM 1693 CG PRO A 102 -2.457 20.205 -10.168 1.00 7.42 C ATOM 1694 CD PRO A 102 -2.951 20.282 -8.749 1.00 6.66 C ATOM 0 HA PRO A 102 -1.446 17.387 -8.722 1.00 6.45 H new ATOM 0 HB2 PRO A 102 -1.180 18.777 -11.124 1.00 7.14 H new ATOM 0 HB3 PRO A 102 -2.737 18.135 -10.640 1.00 7.14 H new ATOM 0 HG2 PRO A 102 -1.673 20.940 -10.349 1.00 7.42 H new ATOM 0 HG3 PRO A 102 -3.261 20.416 -10.874 1.00 7.42 H new ATOM 0 HD2 PRO A 102 -2.811 21.278 -8.329 1.00 6.66 H new ATOM 0 HD3 PRO A 102 -4.015 20.055 -8.682 1.00 6.66 H new ATOM 1702 N ILE A 103 0.574 19.715 -8.191 1.00 7.14 N ATOM 1703 CA ILE A 103 1.992 20.054 -8.115 1.00 7.71 C ATOM 1704 C ILE A 103 2.724 19.186 -7.085 1.00 7.31 C ATOM 1705 O ILE A 103 2.579 19.363 -5.872 1.00 7.64 O ATOM 1706 CB ILE A 103 2.217 21.562 -7.810 1.00 8.28 C ATOM 1707 CG1 ILE A 103 3.711 21.866 -7.628 1.00 9.04 C ATOM 1708 CG2 ILE A 103 1.431 22.003 -6.582 1.00 8.23 C ATOM 1709 CD1 ILE A 103 4.515 21.756 -8.907 1.00 9.66 C ATOM 0 H ILE A 103 -0.035 20.299 -7.617 1.00 7.14 H new ATOM 0 HA ILE A 103 2.413 19.847 -9.099 1.00 7.71 H new ATOM 0 HB ILE A 103 1.850 22.129 -8.666 1.00 8.28 H new ATOM 0 HG12 ILE A 103 3.821 22.873 -7.225 1.00 9.04 H new ATOM 0 HG13 ILE A 103 4.125 21.180 -6.889 1.00 9.04 H new ATOM 0 HG21 ILE A 103 1.610 23.062 -6.396 1.00 8.23 H new ATOM 0 HG22 ILE A 103 0.367 21.840 -6.753 1.00 8.23 H new ATOM 0 HG23 ILE A 103 1.753 21.423 -5.717 1.00 8.23 H new ATOM 0 HD11 ILE A 103 5.561 21.985 -8.700 1.00 9.66 H new ATOM 0 HD12 ILE A 103 4.436 20.743 -9.300 1.00 9.66 H new ATOM 0 HD13 ILE A 103 4.128 22.462 -9.642 1.00 9.66 H new ATOM 1721 N LYS A 104 3.502 18.232 -7.589 1.00 6.73 N ATOM 1722 CA LYS A 104 4.277 17.336 -6.739 1.00 6.37 C ATOM 1723 C LYS A 104 5.291 16.545 -7.563 1.00 5.89 C ATOM 1724 O LYS A 104 5.032 15.408 -7.958 1.00 5.68 O ATOM 1725 CB LYS A 104 3.362 16.371 -5.972 1.00 6.44 C ATOM 1726 CG LYS A 104 3.439 16.534 -4.461 1.00 6.74 C ATOM 1727 CD LYS A 104 4.814 16.163 -3.927 1.00 7.08 C ATOM 1728 CE LYS A 104 5.063 16.772 -2.557 1.00 7.57 C ATOM 1729 NZ LYS A 104 6.321 16.265 -1.943 1.00 8.00 N ATOM 0 H LYS A 104 3.612 18.060 -8.588 1.00 6.73 H new ATOM 0 HA LYS A 104 4.814 17.952 -6.018 1.00 6.37 H new ATOM 0 HB2 LYS A 104 2.332 16.526 -6.294 1.00 6.44 H new ATOM 0 HB3 LYS A 104 3.627 15.346 -6.233 1.00 6.44 H new ATOM 0 HG2 LYS A 104 3.211 17.566 -4.194 1.00 6.74 H new ATOM 0 HG3 LYS A 104 2.683 15.907 -3.988 1.00 6.74 H new ATOM 0 HD2 LYS A 104 4.901 15.078 -3.865 1.00 7.08 H new ATOM 0 HD3 LYS A 104 5.580 16.505 -4.623 1.00 7.08 H new ATOM 0 HE2 LYS A 104 5.115 17.857 -2.646 1.00 7.57 H new ATOM 0 HE3 LYS A 104 4.222 16.546 -1.901 1.00 7.57 H new ATOM 0 HZ1 LYS A 104 6.570 16.856 -1.124 1.00 8.00 H new ATOM 0 HZ2 LYS A 104 6.184 15.282 -1.632 1.00 8.00 H new ATOM 0 HZ3 LYS A 104 7.089 16.303 -2.643 1.00 8.00 H new ATOM 1743 N PRO A 105 6.456 17.153 -7.857 1.00 5.95 N ATOM 1744 CA PRO A 105 7.516 16.488 -8.615 1.00 5.79 C ATOM 1745 C PRO A 105 8.261 15.469 -7.758 1.00 5.46 C ATOM 1746 O PRO A 105 8.274 14.276 -8.062 1.00 5.28 O ATOM 1747 CB PRO A 105 8.442 17.634 -9.029 1.00 6.33 C ATOM 1748 CG PRO A 105 8.209 18.722 -8.028 1.00 6.61 C ATOM 1749 CD PRO A 105 6.814 18.537 -7.485 1.00 6.47 C ATOM 0 HA PRO A 105 7.129 15.926 -9.465 1.00 5.79 H new ATOM 0 HB2 PRO A 105 9.485 17.316 -9.026 1.00 6.33 H new ATOM 0 HB3 PRO A 105 8.215 17.976 -10.039 1.00 6.33 H new ATOM 0 HG2 PRO A 105 8.944 18.670 -7.225 1.00 6.61 H new ATOM 0 HG3 PRO A 105 8.314 19.702 -8.493 1.00 6.61 H new ATOM 0 HD2 PRO A 105 6.786 18.678 -6.405 1.00 6.47 H new ATOM 0 HD3 PRO A 105 6.120 19.257 -7.918 1.00 6.47 H new ATOM 1757 N ARG A 106 8.871 15.954 -6.678 1.00 5.56 N ATOM 1758 CA ARG A 106 9.604 15.101 -5.757 1.00 5.43 C ATOM 1759 C ARG A 106 9.831 15.822 -4.423 1.00 5.72 C ATOM 1760 O ARG A 106 8.871 16.190 -3.746 1.00 6.01 O ATOM 1761 CB ARG A 106 10.933 14.653 -6.372 1.00 5.69 C ATOM 1762 CG ARG A 106 11.475 13.382 -5.742 1.00 6.20 C ATOM 1763 CD ARG A 106 12.885 13.073 -6.210 1.00 6.57 C ATOM 1764 NE ARG A 106 13.395 11.848 -5.603 1.00 6.84 N ATOM 1765 CZ ARG A 106 14.535 11.267 -5.956 1.00 7.39 C ATOM 1766 NH1 ARG A 106 15.288 11.802 -6.908 1.00 7.71 N ATOM 1767 NH2 ARG A 106 14.924 10.149 -5.355 1.00 7.84 N ATOM 0 H ARG A 106 8.869 16.941 -6.422 1.00 5.56 H new ATOM 0 HA ARG A 106 9.007 14.209 -5.564 1.00 5.43 H new ATOM 0 HB2 ARG A 106 10.797 14.493 -7.442 1.00 5.69 H new ATOM 0 HB3 ARG A 106 11.667 15.451 -6.259 1.00 5.69 H new ATOM 0 HG2 ARG A 106 11.467 13.483 -4.657 1.00 6.20 H new ATOM 0 HG3 ARG A 106 10.820 12.547 -5.989 1.00 6.20 H new ATOM 0 HD2 ARG A 106 12.895 12.974 -7.295 1.00 6.57 H new ATOM 0 HD3 ARG A 106 13.543 13.905 -5.960 1.00 6.57 H new ATOM 0 HE ARG A 106 12.843 11.413 -4.864 1.00 6.84 H new ATOM 0 HH11 ARG A 106 14.991 12.661 -7.370 1.00 7.71 H new ATOM 0 HH12 ARG A 106 16.164 11.354 -7.178 1.00 7.71 H new ATOM 0 HH21 ARG A 106 14.347 9.737 -4.622 1.00 7.84 H new ATOM 0 HH22 ARG A 106 15.800 9.702 -5.626 1.00 7.84 H new ATOM 1781 N LYS A 107 11.096 16.024 -4.049 1.00 5.92 N ATOM 1782 CA LYS A 107 11.432 16.695 -2.794 1.00 6.42 C ATOM 1783 C LYS A 107 11.177 18.197 -2.896 1.00 6.87 C ATOM 1784 O LYS A 107 10.177 18.667 -2.313 1.00 7.06 O ATOM 1785 CB LYS A 107 12.899 16.432 -2.426 1.00 6.74 C ATOM 1786 CG LYS A 107 13.257 14.953 -2.355 1.00 7.12 C ATOM 1787 CD LYS A 107 14.765 14.735 -2.339 1.00 7.73 C ATOM 1788 CE LYS A 107 15.353 14.921 -0.947 1.00 8.18 C ATOM 1789 NZ LYS A 107 16.807 14.593 -0.912 1.00 8.47 N ATOM 1790 OXT LYS A 107 11.974 18.890 -3.563 1.00 7.27 O ATOM 0 H LYS A 107 11.904 15.732 -4.598 1.00 5.92 H new ATOM 0 HA LYS A 107 10.792 16.290 -2.010 1.00 6.42 H new ATOM 0 HB2 LYS A 107 13.541 16.917 -3.161 1.00 6.74 H new ATOM 0 HB3 LYS A 107 13.111 16.895 -1.462 1.00 6.74 H new ATOM 0 HG2 LYS A 107 12.817 14.515 -1.459 1.00 7.12 H new ATOM 0 HG3 LYS A 107 12.824 14.433 -3.209 1.00 7.12 H new ATOM 0 HD2 LYS A 107 14.990 13.730 -2.696 1.00 7.73 H new ATOM 0 HD3 LYS A 107 15.240 15.432 -3.029 1.00 7.73 H new ATOM 0 HE2 LYS A 107 15.205 15.952 -0.625 1.00 8.18 H new ATOM 0 HE3 LYS A 107 14.820 14.286 -0.239 1.00 8.18 H new ATOM 0 HZ1 LYS A 107 17.171 14.732 0.052 1.00 8.47 H new ATOM 0 HZ2 LYS A 107 16.946 13.602 -1.195 1.00 8.47 H new ATOM 0 HZ3 LYS A 107 17.319 15.216 -1.568 1.00 8.47 H new TER 1804 LYS A 107 ATOM 1805 OP3 DT B 1 -5.309 -27.620 -6.380 1.00 2.61 O ATOM 1806 P DT B 1 -6.537 -27.486 -5.371 1.00 2.20 P ATOM 1807 OP1 DT B 1 -6.954 -28.844 -4.942 1.00 2.80 O ATOM 1808 OP2 DT B 1 -6.200 -26.464 -4.347 1.00 2.56 O ATOM 1809 O5' DT B 1 -7.689 -26.891 -6.294 1.00 2.08 O ATOM 1810 C5' DT B 1 -8.018 -27.484 -7.551 1.00 2.25 C ATOM 1811 C4' DT B 1 -8.554 -26.434 -8.494 1.00 2.22 C ATOM 1812 O4' DT B 1 -9.734 -25.847 -7.883 1.00 2.06 O ATOM 1813 C3' DT B 1 -7.555 -25.281 -8.649 1.00 2.18 C ATOM 1814 O3' DT B 1 -7.768 -24.484 -9.829 1.00 2.29 O ATOM 1815 C2' DT B 1 -7.911 -24.379 -7.486 1.00 1.96 C ATOM 1816 C1' DT B 1 -9.421 -24.542 -7.428 1.00 1.91 C ATOM 1817 N1 DT B 1 -10.034 -24.284 -6.104 1.00 1.72 N ATOM 1818 C2 DT B 1 -10.666 -23.062 -5.987 1.00 1.61 C ATOM 1819 O2 DT B 1 -10.786 -22.280 -6.916 1.00 1.71 O ATOM 1820 N3 DT B 1 -11.154 -22.783 -4.744 1.00 1.49 N ATOM 1821 C4 DT B 1 -11.103 -23.581 -3.628 1.00 1.49 C ATOM 1822 O4 DT B 1 -11.530 -23.145 -2.555 1.00 1.48 O ATOM 1823 C5 DT B 1 -10.465 -24.874 -3.823 1.00 1.64 C ATOM 1824 C7 DT B 1 -10.394 -25.822 -2.665 1.00 1.78 C ATOM 1825 C6 DT B 1 -9.967 -25.164 -5.041 1.00 1.74 C ATOM 0 H5' DT B 1 -8.760 -28.269 -7.409 1.00 2.25 H new ATOM 0 H5'' DT B 1 -7.135 -27.955 -7.982 1.00 2.25 H new ATOM 0 H4' DT B 1 -8.752 -26.904 -9.457 1.00 2.22 H new ATOM 0 H3' DT B 1 -6.538 -25.671 -8.698 1.00 2.18 H new ATOM 0 H2' DT B 1 -7.429 -24.693 -6.560 1.00 1.96 H new ATOM 0 H2'' DT B 1 -7.616 -23.345 -7.664 1.00 1.96 H new ATOM 0 H1' DT B 1 -9.852 -23.774 -8.070 1.00 1.91 H new ATOM 0 H3 DT B 1 -11.609 -21.877 -4.631 1.00 1.49 H new ATOM 0 H71 DT B 1 -10.407 -26.848 -3.033 1.00 1.78 H new ATOM 0 H72 DT B 1 -9.473 -25.648 -2.108 1.00 1.78 H new ATOM 0 H73 DT B 1 -11.250 -25.661 -2.010 1.00 1.78 H new ATOM 0 H6 DT B 1 -9.496 -26.124 -5.193 1.00 1.74 H new ATOM 1839 P DA B 2 -6.760 -23.246 -10.135 1.00 2.27 P ATOM 1840 OP1 DA B 2 -6.815 -22.807 -11.543 1.00 2.47 O ATOM 1841 OP2 DA B 2 -5.424 -23.652 -9.633 1.00 2.19 O ATOM 1842 O5' DA B 2 -7.359 -22.115 -9.185 1.00 2.12 O ATOM 1843 C5' DA B 2 -8.783 -21.843 -9.235 1.00 2.18 C ATOM 1844 C4' DA B 2 -9.034 -20.372 -8.999 1.00 2.16 C ATOM 1845 O4' DA B 2 -8.984 -20.115 -7.559 1.00 1.98 O ATOM 1846 C3' DA B 2 -8.006 -19.407 -9.586 1.00 2.19 C ATOM 1847 O3' DA B 2 -8.550 -18.106 -9.799 1.00 2.28 O ATOM 1848 C2' DA B 2 -6.947 -19.334 -8.500 1.00 1.97 C ATOM 1849 C1' DA B 2 -7.785 -19.442 -7.233 1.00 1.86 C ATOM 1850 N9 DA B 2 -7.121 -20.201 -6.137 1.00 1.69 N ATOM 1851 C8 DA B 2 -6.329 -21.312 -6.237 1.00 1.68 C ATOM 1852 N7 DA B 2 -5.900 -21.749 -5.090 1.00 1.57 N ATOM 1853 C5 DA B 2 -6.433 -20.858 -4.175 1.00 1.48 C ATOM 1854 C6 DA B 2 -6.349 -20.773 -2.770 1.00 1.40 C ATOM 1855 N6 DA B 2 -5.647 -21.640 -2.024 1.00 1.38 N ATOM 1856 N1 DA B 2 -7.009 -19.770 -2.171 1.00 1.40 N ATOM 1857 C2 DA B 2 -7.700 -18.917 -2.922 1.00 1.49 C ATOM 1858 N3 DA B 2 -7.862 -18.892 -4.226 1.00 1.58 N ATOM 1859 C4 DA B 2 -7.191 -19.908 -4.799 1.00 1.56 C ATOM 0 H5' DA B 2 -9.302 -22.435 -8.481 1.00 2.18 H new ATOM 0 H5'' DA B 2 -9.185 -22.139 -10.204 1.00 2.18 H new ATOM 0 H4' DA B 2 -9.992 -20.190 -9.485 1.00 2.16 H new ATOM 0 H3' DA B 2 -7.641 -19.743 -10.557 1.00 2.19 H new ATOM 0 H2' DA B 2 -6.223 -20.145 -8.581 1.00 1.97 H new ATOM 0 H2'' DA B 2 -6.386 -18.401 -8.540 1.00 1.97 H new ATOM 0 H1' DA B 2 -7.949 -18.427 -6.871 1.00 1.86 H new ATOM 0 H8 DA B 2 -6.084 -21.781 -7.178 1.00 1.68 H new ATOM 0 H61 DA B 2 -5.619 -21.534 -1.010 1.00 1.38 H new ATOM 0 H62 DA B 2 -5.142 -22.405 -2.471 1.00 1.38 H new ATOM 0 H2 DA B 2 -8.202 -18.129 -2.380 1.00 1.49 H new ATOM 1871 P DC B 3 -7.576 -16.844 -9.822 1.00 2.25 P ATOM 1872 OP1 DC B 3 -8.109 -15.819 -10.739 1.00 2.46 O ATOM 1873 OP2 DC B 3 -6.192 -17.300 -10.094 1.00 2.18 O ATOM 1874 O5' DC B 3 -7.680 -16.337 -8.314 1.00 2.07 O ATOM 1875 C5' DC B 3 -8.991 -16.213 -7.708 1.00 2.12 C ATOM 1876 C4' DC B 3 -9.004 -15.046 -6.748 1.00 2.08 C ATOM 1877 O4' DC B 3 -8.405 -15.472 -5.485 1.00 1.87 O ATOM 1878 C3' DC B 3 -8.186 -13.822 -7.160 1.00 2.12 C ATOM 1879 O3' DC B 3 -8.653 -12.630 -6.535 1.00 2.20 O ATOM 1880 C2' DC B 3 -6.798 -14.151 -6.635 1.00 1.90 C ATOM 1881 C1' DC B 3 -7.114 -14.908 -5.351 1.00 1.76 C ATOM 1882 N1 DC B 3 -6.163 -16.014 -5.058 1.00 1.58 N ATOM 1883 C2 DC B 3 -5.808 -16.233 -3.729 1.00 1.43 C ATOM 1884 O2 DC B 3 -6.290 -15.501 -2.853 1.00 1.46 O ATOM 1885 N3 DC B 3 -4.941 -17.235 -3.441 1.00 1.31 N ATOM 1886 C4 DC B 3 -4.438 -18.007 -4.412 1.00 1.34 C ATOM 1887 N4 DC B 3 -3.599 -18.973 -4.074 1.00 1.29 N ATOM 1888 C5 DC B 3 -4.783 -17.799 -5.784 1.00 1.50 C ATOM 1889 C6 DC B 3 -5.656 -16.790 -6.049 1.00 1.61 C ATOM 0 H5' DC B 3 -9.246 -17.132 -7.181 1.00 2.12 H new ATOM 0 H5'' DC B 3 -9.746 -16.069 -8.480 1.00 2.12 H new ATOM 0 H4' DC B 3 -10.054 -14.756 -6.703 1.00 2.08 H new ATOM 0 H3' DC B 3 -8.237 -13.638 -8.233 1.00 2.12 H new ATOM 0 H2' DC B 3 -6.230 -14.760 -7.338 1.00 1.90 H new ATOM 0 H2'' DC B 3 -6.211 -13.253 -6.445 1.00 1.90 H new ATOM 0 H1' DC B 3 -7.041 -14.194 -4.531 1.00 1.76 H new ATOM 0 H41 DC B 3 -3.200 -19.577 -4.793 1.00 1.29 H new ATOM 0 H42 DC B 3 -3.351 -19.114 -3.095 1.00 1.29 H new ATOM 0 H5 DC B 3 -4.371 -18.413 -6.571 1.00 1.50 H new ATOM 0 H6 DC B 3 -5.952 -16.602 -7.071 1.00 1.61 H new ATOM 1901 P DA B 4 -7.648 -11.408 -6.331 1.00 2.17 P ATOM 1902 OP1 DA B 4 -8.391 -10.134 -6.408 1.00 2.39 O ATOM 1903 OP2 DA B 4 -6.509 -11.551 -7.270 1.00 2.13 O ATOM 1904 O5' DA B 4 -7.141 -11.658 -4.840 1.00 1.97 O ATOM 1905 C5' DA B 4 -8.120 -11.955 -3.812 1.00 2.00 C ATOM 1906 C4' DA B 4 -7.674 -11.363 -2.496 1.00 1.94 C ATOM 1907 O4' DA B 4 -6.689 -12.257 -1.889 1.00 1.72 O ATOM 1908 C3' DA B 4 -6.962 -10.014 -2.566 1.00 1.99 C ATOM 1909 O3' DA B 4 -7.057 -9.289 -1.343 1.00 2.06 O ATOM 1910 C2' DA B 4 -5.513 -10.407 -2.803 1.00 1.77 C ATOM 1911 C1' DA B 4 -5.397 -11.694 -1.995 1.00 1.61 C ATOM 1912 N9 DA B 4 -4.506 -12.712 -2.615 1.00 1.44 N ATOM 1913 C8 DA B 4 -4.355 -13.011 -3.942 1.00 1.47 C ATOM 1914 N7 DA B 4 -3.498 -13.961 -4.167 1.00 1.33 N ATOM 1915 C5 DA B 4 -3.045 -14.303 -2.905 1.00 1.19 C ATOM 1916 C6 DA B 4 -2.111 -15.260 -2.456 1.00 1.06 C ATOM 1917 N6 DA B 4 -1.437 -16.072 -3.289 1.00 1.05 N ATOM 1918 N1 DA B 4 -1.901 -15.346 -1.135 1.00 1.02 N ATOM 1919 C2 DA B 4 -2.573 -14.537 -0.323 1.00 1.11 C ATOM 1920 N3 DA B 4 -3.467 -13.616 -0.611 1.00 1.24 N ATOM 1921 C4 DA B 4 -3.657 -13.554 -1.943 1.00 1.26 C ATOM 0 H5' DA B 4 -8.242 -13.034 -3.714 1.00 2.00 H new ATOM 0 H5'' DA B 4 -9.092 -11.549 -4.094 1.00 2.00 H new ATOM 0 H4' DA B 4 -8.604 -11.231 -1.943 1.00 1.94 H new ATOM 0 H3' DA B 4 -7.392 -9.367 -3.331 1.00 1.99 H new ATOM 0 H2' DA B 4 -5.302 -10.569 -3.860 1.00 1.77 H new ATOM 0 H2'' DA B 4 -4.820 -9.642 -2.453 1.00 1.77 H new ATOM 0 H1' DA B 4 -4.964 -11.431 -1.030 1.00 1.61 H new ATOM 0 H8 DA B 4 -4.897 -12.505 -4.727 1.00 1.47 H new ATOM 0 H61 DA B 4 -0.771 -16.748 -2.914 1.00 1.05 H new ATOM 0 H62 DA B 4 -1.591 -16.012 -4.295 1.00 1.05 H new ATOM 0 H2 DA B 4 -2.353 -14.653 0.728 1.00 1.11 H new ATOM 1933 P DA B 5 -5.944 -8.204 -0.988 1.00 2.04 P ATOM 1934 OP1 DA B 5 -6.546 -7.116 -0.191 1.00 2.25 O ATOM 1935 OP2 DA B 5 -5.249 -7.791 -2.230 1.00 2.01 O ATOM 1936 O5' DA B 5 -4.946 -9.055 -0.080 1.00 1.83 O ATOM 1937 C5' DA B 5 -5.496 -9.885 0.973 1.00 1.84 C ATOM 1938 C4' DA B 5 -4.545 -9.918 2.148 1.00 1.79 C ATOM 1939 O4' DA B 5 -3.490 -10.892 1.865 1.00 1.56 O ATOM 1940 C3' DA B 5 -3.793 -8.623 2.448 1.00 1.85 C ATOM 1941 O3' DA B 5 -3.364 -8.552 3.805 1.00 1.93 O ATOM 1942 C2' DA B 5 -2.576 -8.721 1.544 1.00 1.64 C ATOM 1943 C1' DA B 5 -2.284 -10.216 1.564 1.00 1.47 C ATOM 1944 N9 DA B 5 -1.780 -10.747 0.268 1.00 1.29 N ATOM 1945 C8 DA B 5 -2.156 -10.389 -0.998 1.00 1.33 C ATOM 1946 N7 DA B 5 -1.530 -11.044 -1.932 1.00 1.20 N ATOM 1947 C5 DA B 5 -0.675 -11.876 -1.234 1.00 1.03 C ATOM 1948 C6 DA B 5 0.269 -12.837 -1.654 1.00 0.89 C ATOM 1949 N6 DA B 5 0.513 -13.108 -2.946 1.00 0.91 N ATOM 1950 N1 DA B 5 0.944 -13.498 -0.701 1.00 0.84 N ATOM 1951 C2 DA B 5 0.695 -13.219 0.575 1.00 0.93 C ATOM 1952 N3 DA B 5 -0.157 -12.359 1.092 1.00 1.07 N ATOM 1953 C4 DA B 5 -0.819 -11.716 0.114 1.00 1.10 C ATOM 0 H5' DA B 5 -5.665 -10.896 0.601 1.00 1.84 H new ATOM 0 H5'' DA B 5 -6.464 -9.495 1.288 1.00 1.84 H new ATOM 0 H4' DA B 5 -5.188 -10.143 2.999 1.00 1.79 H new ATOM 0 H3' DA B 5 -4.415 -7.743 2.284 1.00 1.85 H new ATOM 0 H2' DA B 5 -2.786 -8.360 0.537 1.00 1.64 H new ATOM 0 H2'' DA B 5 -1.738 -8.137 1.924 1.00 1.64 H new ATOM 0 H1' DA B 5 -1.503 -10.379 2.307 1.00 1.47 H new ATOM 0 H8 DA B 5 -2.901 -9.635 -1.203 1.00 1.33 H new ATOM 0 H61 DA B 5 1.206 -13.813 -3.197 1.00 0.91 H new ATOM 0 H62 DA B 5 0.005 -12.609 -3.676 1.00 0.91 H new ATOM 0 H2 DA B 5 1.277 -13.780 1.292 1.00 0.93 H new ATOM 1965 P DT B 6 -2.108 -7.645 4.182 1.00 1.92 P ATOM 1966 OP1 DT B 6 -2.273 -7.107 5.547 1.00 2.14 O ATOM 1967 OP2 DT B 6 -1.889 -6.645 3.110 1.00 1.89 O ATOM 1968 O5' DT B 6 -0.926 -8.716 4.158 1.00 1.71 O ATOM 1969 C5' DT B 6 -1.118 -9.984 4.833 1.00 1.72 C ATOM 1970 C4' DT B 6 0.193 -10.456 5.417 1.00 1.68 C ATOM 1971 O4' DT B 6 0.979 -11.085 4.355 1.00 1.45 O ATOM 1972 C3' DT B 6 1.113 -9.375 5.978 1.00 1.76 C ATOM 1973 O3' DT B 6 2.019 -9.891 6.952 1.00 1.86 O ATOM 1974 C2' DT B 6 1.897 -8.930 4.755 1.00 1.55 C ATOM 1975 C1' DT B 6 2.041 -10.232 3.977 1.00 1.36 C ATOM 1976 N1 DT B 6 1.982 -10.060 2.501 1.00 1.16 N ATOM 1977 C2 DT B 6 2.818 -10.849 1.739 1.00 0.98 C ATOM 1978 O2 DT B 6 3.583 -11.661 2.228 1.00 0.99 O ATOM 1979 N3 DT B 6 2.729 -10.656 0.374 1.00 0.85 N ATOM 1980 C4 DT B 6 1.906 -9.768 -0.277 1.00 0.93 C ATOM 1981 O4 DT B 6 1.914 -9.683 -1.511 1.00 0.91 O ATOM 1982 C5 DT B 6 1.072 -8.981 0.600 1.00 1.14 C ATOM 1983 C7 DT B 6 0.150 -8.005 -0.069 1.00 1.31 C ATOM 1984 C6 DT B 6 1.126 -9.147 1.937 1.00 1.23 C ATOM 0 H5' DT B 6 -1.502 -10.725 4.132 1.00 1.72 H new ATOM 0 H5'' DT B 6 -1.861 -9.877 5.623 1.00 1.72 H new ATOM 0 H4' DT B 6 -0.107 -11.107 6.238 1.00 1.68 H new ATOM 0 H3' DT B 6 0.554 -8.583 6.477 1.00 1.76 H new ATOM 0 H2' DT B 6 1.364 -8.170 4.183 1.00 1.55 H new ATOM 0 H2'' DT B 6 2.865 -8.506 5.023 1.00 1.55 H new ATOM 0 H1' DT B 6 3.024 -10.639 4.215 1.00 1.36 H new ATOM 0 H3 DT B 6 3.336 -11.231 -0.210 1.00 0.85 H new ATOM 0 H71 DT B 6 0.596 -7.665 -1.003 1.00 1.31 H new ATOM 0 H72 DT B 6 -0.804 -8.490 -0.278 1.00 1.31 H new ATOM 0 H73 DT B 6 -0.014 -7.150 0.587 1.00 1.31 H new ATOM 0 H6 DT B 6 0.487 -8.553 2.573 1.00 1.23 H new ATOM 1997 P DA B 7 3.401 -9.139 7.211 1.00 1.87 P ATOM 1998 OP1 DA B 7 3.799 -9.301 8.623 1.00 2.11 O ATOM 1999 OP2 DA B 7 3.295 -7.741 6.723 1.00 1.84 O ATOM 2000 O5' DA B 7 4.390 -9.957 6.267 1.00 1.65 O ATOM 2001 C5' DA B 7 4.349 -11.406 6.301 1.00 1.65 C ATOM 2002 C4' DA B 7 5.736 -11.962 6.077 1.00 1.62 C ATOM 2003 O4' DA B 7 6.014 -11.956 4.639 1.00 1.37 O ATOM 2004 C3' DA B 7 6.891 -11.172 6.687 1.00 1.73 C ATOM 2005 O3' DA B 7 8.042 -11.984 6.906 1.00 1.83 O ATOM 2006 C2' DA B 7 7.202 -10.142 5.614 1.00 1.51 C ATOM 2007 C1' DA B 7 6.933 -10.925 4.335 1.00 1.30 C ATOM 2008 N9 DA B 7 6.348 -10.102 3.241 1.00 1.09 N ATOM 2009 C8 DA B 7 5.430 -9.092 3.339 1.00 1.14 C ATOM 2010 N7 DA B 7 5.110 -8.567 2.193 1.00 0.99 N ATOM 2011 C5 DA B 7 5.878 -9.270 1.282 1.00 0.80 C ATOM 2012 C6 DA B 7 5.998 -9.193 -0.121 1.00 0.64 C ATOM 2013 N6 DA B 7 5.309 -8.312 -0.867 1.00 0.69 N ATOM 2014 N1 DA B 7 6.843 -10.046 -0.719 1.00 0.57 N ATOM 2015 C2 DA B 7 7.519 -10.911 0.032 1.00 0.68 C ATOM 2016 N3 DA B 7 7.493 -11.086 1.335 1.00 0.84 N ATOM 2017 C4 DA B 7 6.636 -10.220 1.904 1.00 0.88 C ATOM 0 H5' DA B 7 3.670 -11.778 5.534 1.00 1.65 H new ATOM 0 H5'' DA B 7 3.962 -11.746 7.262 1.00 1.65 H new ATOM 0 H4' DA B 7 5.705 -12.941 6.555 1.00 1.62 H new ATOM 0 H3' DA B 7 6.630 -10.754 7.659 1.00 1.73 H new ATOM 0 H2' DA B 7 6.563 -9.262 5.696 1.00 1.51 H new ATOM 0 H2'' DA B 7 8.233 -9.794 5.670 1.00 1.51 H new ATOM 0 H1' DA B 7 7.893 -11.299 3.981 1.00 1.30 H new ATOM 0 H8 DA B 7 5.011 -8.762 4.278 1.00 1.14 H new ATOM 0 H61 DA B 7 5.431 -8.296 -1.880 1.00 0.69 H new ATOM 0 H62 DA B 7 4.664 -7.660 -0.420 1.00 0.69 H new ATOM 0 H2 DA B 7 8.187 -11.566 -0.508 1.00 0.68 H new ATOM 2029 P DT B 8 9.484 -11.303 6.953 1.00 1.86 P ATOM 2030 OP1 DT B 8 10.359 -12.051 7.875 1.00 2.10 O ATOM 2031 OP2 DT B 8 9.329 -9.855 7.238 1.00 1.84 O ATOM 2032 O5' DT B 8 9.976 -11.497 5.450 1.00 1.63 O ATOM 2033 C5' DT B 8 9.822 -12.798 4.828 1.00 1.61 C ATOM 2034 C4' DT B 8 10.973 -13.051 3.881 1.00 1.57 C ATOM 2035 O4' DT B 8 10.701 -12.361 2.620 1.00 1.32 O ATOM 2036 C3' DT B 8 12.337 -12.519 4.315 1.00 1.70 C ATOM 2037 O3' DT B 8 13.411 -13.223 3.696 1.00 1.78 O ATOM 2038 C2' DT B 8 12.321 -11.087 3.804 1.00 1.49 C ATOM 2039 C1' DT B 8 11.530 -11.221 2.509 1.00 1.26 C ATOM 2040 N1 DT B 8 10.658 -10.052 2.216 1.00 1.06 N ATOM 2041 C2 DT B 8 10.548 -9.660 0.898 1.00 0.85 C ATOM 2042 O2 DT B 8 11.130 -10.229 -0.008 1.00 0.85 O ATOM 2043 N3 DT B 8 9.726 -8.573 0.673 1.00 0.71 N ATOM 2044 C4 DT B 8 9.028 -7.861 1.621 1.00 0.82 C ATOM 2045 O4 DT B 8 8.322 -6.899 1.296 1.00 0.80 O ATOM 2046 C5 DT B 8 9.207 -8.340 2.971 1.00 1.04 C ATOM 2047 C7 DT B 8 8.456 -7.597 4.035 1.00 1.22 C ATOM 2048 C6 DT B 8 9.995 -9.402 3.228 1.00 1.14 C ATOM 0 H5' DT B 8 8.877 -12.843 4.287 1.00 1.61 H new ATOM 0 H5'' DT B 8 9.790 -13.575 5.592 1.00 1.61 H new ATOM 0 H4' DT B 8 11.032 -14.138 3.827 1.00 1.57 H new ATOM 0 H3' DT B 8 12.490 -12.620 5.389 1.00 1.70 H new ATOM 0 H2' DT B 8 11.839 -10.408 4.508 1.00 1.49 H new ATOM 0 H2'' DT B 8 13.327 -10.705 3.630 1.00 1.49 H new ATOM 0 H1' DT B 8 12.254 -11.296 1.698 1.00 1.26 H new ATOM 0 H3 DT B 8 9.626 -8.267 -0.295 1.00 0.71 H new ATOM 0 H71 DT B 8 8.334 -6.556 3.735 1.00 1.22 H new ATOM 0 H72 DT B 8 7.475 -8.052 4.174 1.00 1.22 H new ATOM 0 H73 DT B 8 9.012 -7.641 4.971 1.00 1.22 H new ATOM 0 H6 DT B 8 10.107 -9.747 4.245 1.00 1.14 H new ATOM 2061 P DA B 9 14.821 -12.502 3.518 1.00 1.82 P ATOM 2062 OP1 DA B 9 15.906 -13.500 3.597 1.00 2.06 O ATOM 2063 OP2 DA B 9 14.914 -11.368 4.469 1.00 1.83 O ATOM 2064 O5' DA B 9 14.705 -11.939 2.031 1.00 1.59 O ATOM 2065 C5' DA B 9 14.218 -12.820 0.988 1.00 1.55 C ATOM 2066 C4' DA B 9 14.909 -12.497 -0.318 1.00 1.52 C ATOM 2067 O4' DA B 9 14.253 -11.337 -0.921 1.00 1.27 O ATOM 2068 C3' DA B 9 16.379 -12.091 -0.224 1.00 1.65 C ATOM 2069 O3' DA B 9 17.082 -12.327 -1.442 1.00 1.73 O ATOM 2070 C2' DA B 9 16.301 -10.593 0.027 1.00 1.46 C ATOM 2071 C1' DA B 9 15.080 -10.197 -0.792 1.00 1.23 C ATOM 2072 N9 DA B 9 14.268 -9.116 -0.171 1.00 1.04 N ATOM 2073 C8 DA B 9 13.990 -8.917 1.154 1.00 1.11 C ATOM 2074 N7 DA B 9 13.242 -7.879 1.381 1.00 0.98 N ATOM 2075 C5 DA B 9 13.023 -7.350 0.121 1.00 0.79 C ATOM 2076 C6 DA B 9 12.292 -6.229 -0.326 1.00 0.64 C ATOM 2077 N6 DA B 9 11.633 -5.404 0.508 1.00 0.71 N ATOM 2078 N1 DA B 9 12.268 -5.991 -1.645 1.00 0.57 N ATOM 2079 C2 DA B 9 12.926 -6.813 -2.458 1.00 0.66 C ATOM 2080 N3 DA B 9 13.631 -7.886 -2.170 1.00 0.79 N ATOM 2081 C4 DA B 9 13.635 -8.100 -0.842 1.00 0.84 C ATOM 0 H5' DA B 9 13.140 -12.707 0.877 1.00 1.55 H new ATOM 0 H5'' DA B 9 14.403 -13.859 1.261 1.00 1.55 H new ATOM 0 H4' DA B 9 14.847 -13.427 -0.882 1.00 1.52 H new ATOM 0 H3' DA B 9 16.910 -12.656 0.542 1.00 1.65 H new ATOM 0 H2' DA B 9 16.175 -10.363 1.085 1.00 1.46 H new ATOM 0 H2'' DA B 9 17.201 -10.076 -0.306 1.00 1.46 H new ATOM 0 H1' DA B 9 15.444 -9.821 -1.748 1.00 1.23 H new ATOM 0 H8 DA B 9 14.358 -9.562 1.938 1.00 1.11 H new ATOM 0 H61 DA B 9 11.118 -4.606 0.135 1.00 0.71 H new ATOM 0 H62 DA B 9 11.648 -5.576 1.513 1.00 0.71 H new ATOM 0 H2 DA B 9 12.874 -6.563 -3.507 1.00 0.66 H new ATOM 2093 P DA B 10 18.384 -11.468 -1.772 1.00 1.78 P ATOM 2094 OP1 DA B 10 19.328 -12.281 -2.564 1.00 2.00 O ATOM 2095 OP2 DA B 10 18.920 -10.890 -0.516 1.00 1.80 O ATOM 2096 O5' DA B 10 17.775 -10.302 -2.673 1.00 1.56 O ATOM 2097 C5' DA B 10 16.861 -10.652 -3.743 1.00 1.52 C ATOM 2098 C4' DA B 10 17.048 -9.703 -4.906 1.00 1.50 C ATOM 2099 O4' DA B 10 16.319 -8.467 -4.620 1.00 1.26 O ATOM 2100 C3' DA B 10 18.477 -9.243 -5.183 1.00 1.63 C ATOM 2101 O3' DA B 10 18.655 -8.824 -6.534 1.00 1.72 O ATOM 2102 C2' DA B 10 18.631 -8.041 -4.265 1.00 1.46 C ATOM 2103 C1' DA B 10 17.234 -7.437 -4.296 1.00 1.24 C ATOM 2104 N9 DA B 10 16.807 -6.844 -3.001 1.00 1.07 N ATOM 2105 C8 DA B 10 17.059 -7.300 -1.735 1.00 1.12 C ATOM 2106 N7 DA B 10 16.542 -6.559 -0.800 1.00 1.02 N ATOM 2107 C5 DA B 10 15.920 -5.538 -1.495 1.00 0.85 C ATOM 2108 C6 DA B 10 15.179 -4.414 -1.075 1.00 0.74 C ATOM 2109 N6 DA B 10 14.949 -4.131 0.219 1.00 0.81 N ATOM 2110 N1 DA B 10 14.690 -3.604 -2.024 1.00 0.69 N ATOM 2111 C2 DA B 10 14.924 -3.895 -3.301 1.00 0.76 C ATOM 2112 N3 DA B 10 15.589 -4.904 -3.819 1.00 0.86 N ATOM 2113 C4 DA B 10 16.063 -5.699 -2.844 1.00 0.89 C ATOM 0 H5' DA B 10 15.832 -10.605 -3.385 1.00 1.52 H new ATOM 0 H5'' DA B 10 17.040 -11.678 -4.066 1.00 1.52 H new ATOM 0 H4' DA B 10 16.702 -10.274 -5.768 1.00 1.50 H new ATOM 0 H3' DA B 10 19.201 -10.041 -5.018 1.00 1.63 H new ATOM 0 H2' DA B 10 18.927 -8.333 -3.257 1.00 1.46 H new ATOM 0 H2'' DA B 10 19.385 -7.343 -4.629 1.00 1.46 H new ATOM 0 H1' DA B 10 17.252 -6.632 -5.031 1.00 1.24 H new ATOM 0 H8 DA B 10 17.633 -8.192 -1.532 1.00 1.12 H new ATOM 0 H61 DA B 10 14.407 -3.305 0.472 1.00 0.81 H new ATOM 0 H62 DA B 10 15.317 -4.742 0.948 1.00 0.81 H new ATOM 0 H2 DA B 10 14.507 -3.201 -4.016 1.00 0.76 H new ATOM 2125 P DC B 11 19.814 -7.788 -6.887 1.00 1.78 P ATOM 2126 OP1 DC B 11 20.323 -8.051 -8.247 1.00 2.00 O ATOM 2127 OP2 DC B 11 20.826 -7.799 -5.803 1.00 1.79 O ATOM 2128 O5' DC B 11 19.021 -6.404 -6.858 1.00 1.58 O ATOM 2129 C5' DC B 11 17.750 -6.314 -7.548 1.00 1.55 C ATOM 2130 C4' DC B 11 17.577 -4.927 -8.120 1.00 1.54 C ATOM 2131 O4' DC B 11 17.118 -4.035 -7.055 1.00 1.33 O ATOM 2132 C3' DC B 11 18.837 -4.253 -8.658 1.00 1.68 C ATOM 2133 O3' DC B 11 18.539 -3.248 -9.625 1.00 1.78 O ATOM 2134 C2' DC B 11 19.423 -3.595 -7.421 1.00 1.51 C ATOM 2135 C1' DC B 11 18.173 -3.184 -6.656 1.00 1.31 C ATOM 2136 N1 DC B 11 18.311 -3.294 -5.178 1.00 1.14 N ATOM 2137 C2 DC B 11 17.706 -2.314 -4.394 1.00 1.00 C ATOM 2138 O2 DC B 11 17.090 -1.396 -4.951 1.00 1.03 O ATOM 2139 N3 DC B 11 17.823 -2.395 -3.044 1.00 0.91 N ATOM 2140 C4 DC B 11 18.497 -3.400 -2.473 1.00 0.98 C ATOM 2141 N4 DC B 11 18.574 -3.434 -1.152 1.00 1.00 N ATOM 2142 C5 DC B 11 19.130 -4.415 -3.257 1.00 1.14 C ATOM 2143 C6 DC B 11 18.999 -4.315 -4.607 1.00 1.20 C ATOM 0 H5' DC B 11 16.935 -6.538 -6.860 1.00 1.55 H new ATOM 0 H5'' DC B 11 17.706 -7.055 -8.346 1.00 1.55 H new ATOM 0 H4' DC B 11 16.887 -5.073 -8.951 1.00 1.54 H new ATOM 0 H3' DC B 11 19.498 -4.963 -9.156 1.00 1.68 H new ATOM 0 H2' DC B 11 20.043 -4.284 -6.848 1.00 1.51 H new ATOM 0 H2'' DC B 11 20.047 -2.738 -7.672 1.00 1.51 H new ATOM 0 H1' DC B 11 17.988 -2.135 -6.887 1.00 1.31 H new ATOM 0 H41 DC B 11 19.081 -4.189 -0.690 1.00 1.00 H new ATOM 0 H42 DC B 11 18.126 -2.706 -0.596 1.00 1.00 H new ATOM 0 H5 DC B 11 19.685 -5.221 -2.800 1.00 1.14 H new ATOM 0 H6 DC B 11 19.452 -5.065 -5.239 1.00 1.20 H new ATOM 2155 P DG B 12 19.573 -2.057 -9.860 1.00 1.84 P ATOM 2156 OP1 DG B 12 19.517 -1.618 -11.270 1.00 2.07 O ATOM 2157 OP2 DG B 12 20.908 -2.463 -9.360 1.00 1.85 O ATOM 2158 O5' DG B 12 18.972 -0.925 -8.912 1.00 1.66 O ATOM 2159 C5' DG B 12 17.548 -0.655 -8.962 1.00 1.64 C ATOM 2160 C4' DG B 12 17.300 0.817 -8.725 1.00 1.65 C ATOM 2161 O4' DG B 12 17.347 1.074 -7.285 1.00 1.44 O ATOM 2162 C3' DG B 12 18.326 1.782 -9.313 1.00 1.78 C ATOM 2163 O3' DG B 12 17.782 3.083 -9.526 1.00 1.89 O ATOM 2164 C2' DG B 12 19.386 1.854 -8.226 1.00 1.62 C ATOM 2165 C1' DG B 12 18.548 1.747 -6.958 1.00 1.43 C ATOM 2166 N9 DG B 12 19.211 0.989 -5.863 1.00 1.27 N ATOM 2167 C8 DG B 12 20.011 -0.133 -5.938 1.00 1.29 C ATOM 2168 N7 DG B 12 20.445 -0.559 -4.780 1.00 1.20 N ATOM 2169 C5 DG B 12 19.893 0.339 -3.863 1.00 1.09 C ATOM 2170 C6 DG B 12 20.005 0.389 -2.455 1.00 1.04 C ATOM 2171 O6 DG B 12 20.625 -0.359 -1.699 1.00 1.08 O ATOM 2172 N1 DG B 12 19.283 1.470 -1.919 1.00 1.03 N ATOM 2173 C2 DG B 12 18.557 2.381 -2.660 1.00 1.08 C ATOM 2174 N2 DG B 12 17.942 3.345 -1.966 1.00 1.16 N ATOM 2175 N3 DG B 12 18.445 2.330 -3.985 1.00 1.15 N ATOM 2176 C4 DG B 12 19.134 1.289 -4.522 1.00 1.14 C ATOM 0 H5' DG B 12 17.029 -1.247 -8.208 1.00 1.64 H new ATOM 0 H5'' DG B 12 17.146 -0.950 -9.931 1.00 1.64 H new ATOM 0 H4' DG B 12 16.342 1.000 -9.212 1.00 1.65 H new ATOM 0 H3' DG B 12 18.690 1.448 -10.284 1.00 1.78 H new ATOM 0 H2' DG B 12 20.109 1.042 -8.307 1.00 1.62 H new ATOM 0 H2'' DG B 12 19.948 2.787 -8.266 1.00 1.62 H new ATOM 0 H1' DG B 12 18.385 2.762 -6.595 1.00 1.43 H new ATOM 0 H8 DG B 12 20.257 -0.617 -6.871 1.00 1.29 H new ATOM 0 H1 DG B 12 19.297 1.590 -0.906 1.00 1.03 H new ATOM 0 H21 DG B 12 17.389 4.050 -2.453 1.00 1.16 H new ATOM 0 H22 DG B 12 18.026 3.375 -0.950 1.00 1.16 H new ATOM 2188 P DT B 13 18.757 4.345 -9.547 1.00 1.95 P ATOM 2189 OP1 DT B 13 18.223 5.370 -10.465 1.00 2.17 O ATOM 2190 OP2 DT B 13 20.141 3.888 -9.821 1.00 1.96 O ATOM 2191 O5' DT B 13 18.652 4.853 -8.039 1.00 1.78 O ATOM 2192 C5' DT B 13 17.341 4.976 -7.434 1.00 1.75 C ATOM 2193 C4' DT B 13 17.328 6.144 -6.475 1.00 1.76 C ATOM 2194 O4' DT B 13 17.929 5.717 -5.211 1.00 1.57 O ATOM 2195 C3' DT B 13 18.145 7.366 -6.885 1.00 1.89 C ATOM 2196 O3' DT B 13 17.680 8.559 -6.260 1.00 1.99 O ATOM 2197 C2' DT B 13 19.534 7.038 -6.361 1.00 1.75 C ATOM 2198 C1' DT B 13 19.219 6.280 -5.077 1.00 1.57 C ATOM 2199 N1 DT B 13 20.169 5.175 -4.784 1.00 1.42 N ATOM 2200 C2 DT B 13 20.512 4.972 -3.463 1.00 1.32 C ATOM 2201 O2 DT B 13 20.070 5.653 -2.555 1.00 1.35 O ATOM 2202 N3 DT B 13 21.396 3.934 -3.238 1.00 1.25 N ATOM 2203 C4 DT B 13 21.953 3.109 -4.186 1.00 1.28 C ATOM 2204 O4 DT B 13 22.738 2.211 -3.862 1.00 1.28 O ATOM 2205 C5 DT B 13 21.542 3.399 -5.538 1.00 1.39 C ATOM 2206 C7 DT B 13 22.119 2.519 -6.606 1.00 1.50 C ATOM 2207 C6 DT B 13 20.676 4.399 -5.797 1.00 1.45 C ATOM 0 H5' DT B 13 17.086 4.057 -6.906 1.00 1.75 H new ATOM 0 H5'' DT B 13 16.586 5.119 -8.207 1.00 1.75 H new ATOM 0 H4' DT B 13 16.278 6.434 -6.432 1.00 1.76 H new ATOM 0 H3' DT B 13 18.092 7.549 -7.958 1.00 1.89 H new ATOM 0 H2' DT B 13 20.102 6.430 -7.065 1.00 1.75 H new ATOM 0 H2'' DT B 13 20.121 7.937 -6.171 1.00 1.75 H new ATOM 0 H1' DT B 13 19.293 6.994 -4.257 1.00 1.57 H new ATOM 0 H3 DT B 13 21.663 3.762 -2.269 1.00 1.25 H new ATOM 0 H71 DT B 13 23.106 2.173 -6.298 1.00 1.50 H new ATOM 0 H72 DT B 13 21.466 1.661 -6.762 1.00 1.50 H new ATOM 0 H73 DT B 13 22.206 3.083 -7.535 1.00 1.50 H new ATOM 0 H6 DT B 13 20.376 4.593 -6.816 1.00 1.45 H new ATOM 2220 P DC B 14 18.685 9.781 -6.058 1.00 2.06 P ATOM 2221 OP1 DC B 14 17.942 11.055 -6.133 1.00 2.27 O ATOM 2222 OP2 DC B 14 19.824 9.638 -6.996 1.00 2.07 O ATOM 2223 O5' DC B 14 19.190 9.532 -4.566 1.00 1.90 O ATOM 2224 C5' DC B 14 18.212 9.234 -3.539 1.00 1.87 C ATOM 2225 C4' DC B 14 18.659 9.826 -2.222 1.00 1.89 C ATOM 2226 O4' DC B 14 19.642 8.931 -1.614 1.00 1.72 O ATOM 2227 C3' DC B 14 19.371 11.177 -2.292 1.00 2.02 C ATOM 2228 O3' DC B 14 19.276 11.900 -1.068 1.00 2.12 O ATOM 2229 C2' DC B 14 20.820 10.782 -2.529 1.00 1.90 C ATOM 2230 C1' DC B 14 20.935 9.496 -1.722 1.00 1.74 C ATOM 2231 N1 DC B 14 21.825 8.477 -2.341 1.00 1.60 N ATOM 2232 C2 DC B 14 22.625 7.711 -1.495 1.00 1.52 C ATOM 2233 O2 DC B 14 22.569 7.910 -0.276 1.00 1.56 O ATOM 2234 N3 DC B 14 23.445 6.780 -2.042 1.00 1.45 N ATOM 2235 C4 DC B 14 23.483 6.589 -3.366 1.00 1.46 C ATOM 2236 N4 DC B 14 24.299 5.662 -3.845 1.00 1.45 N ATOM 2237 C5 DC B 14 22.675 7.366 -4.254 1.00 1.55 C ATOM 2238 C6 DC B 14 21.859 8.293 -3.685 1.00 1.62 C ATOM 0 H5' DC B 14 18.091 8.155 -3.441 1.00 1.87 H new ATOM 0 H5'' DC B 14 17.240 9.640 -3.820 1.00 1.87 H new ATOM 0 H4' DC B 14 17.729 9.959 -1.669 1.00 1.89 H new ATOM 0 H3' DC B 14 18.942 11.826 -3.056 1.00 2.02 H new ATOM 0 H2' DC B 14 21.031 10.620 -3.586 1.00 1.90 H new ATOM 0 H2'' DC B 14 21.514 11.547 -2.179 1.00 1.90 H new ATOM 0 H1' DC B 14 21.368 9.762 -0.758 1.00 1.74 H new ATOM 0 H41 DC B 14 24.348 5.496 -4.850 1.00 1.45 H new ATOM 0 H42 DC B 14 24.878 5.115 -3.209 1.00 1.45 H new ATOM 0 H5 DC B 14 22.711 7.224 -5.324 1.00 1.55 H new ATOM 0 H6 DC B 14 21.224 8.896 -4.317 1.00 1.62 H new ATOM 2250 P DG B 15 20.388 12.986 -0.713 1.00 2.21 P ATOM 2251 OP1 DG B 15 19.787 14.074 0.084 1.00 2.40 O ATOM 2252 OP2 DG B 15 21.083 13.399 -1.956 1.00 2.21 O ATOM 2253 O5' DG B 15 21.386 12.134 0.194 1.00 2.07 O ATOM 2254 C5' DG B 15 20.835 11.304 1.247 1.00 2.04 C ATOM 2255 C4' DG B 15 21.787 11.271 2.421 1.00 2.08 C ATOM 2256 O4' DG B 15 22.842 10.298 2.140 1.00 1.93 O ATOM 2257 C3' DG B 15 22.539 12.565 2.722 1.00 2.21 C ATOM 2258 O3' DG B 15 22.968 12.636 4.079 1.00 2.32 O ATOM 2259 C2' DG B 15 23.757 12.467 1.817 1.00 2.10 C ATOM 2260 C1' DG B 15 24.048 10.973 1.837 1.00 1.95 C ATOM 2261 N9 DG B 15 24.553 10.443 0.543 1.00 1.82 N ATOM 2262 C8 DG B 15 24.187 10.785 -0.743 1.00 1.80 C ATOM 2263 N7 DG B 15 24.829 10.127 -1.674 1.00 1.72 N ATOM 2264 C5 DG B 15 25.683 9.281 -0.963 1.00 1.67 C ATOM 2265 C6 DG B 15 26.619 8.331 -1.425 1.00 1.63 C ATOM 2266 O6 DG B 15 26.904 8.022 -2.583 1.00 1.62 O ATOM 2267 N1 DG B 15 27.275 7.693 -0.358 1.00 1.65 N ATOM 2268 C2 DG B 15 27.052 7.953 0.977 1.00 1.72 C ATOM 2269 N2 DG B 15 27.779 7.245 1.847 1.00 1.80 N ATOM 2270 N3 DG B 15 26.164 8.843 1.415 1.00 1.77 N ATOM 2271 C4 DG B 15 25.516 9.470 0.398 1.00 1.73 C ATOM 0 H5' DG B 15 20.665 10.293 0.875 1.00 2.04 H new ATOM 0 H5'' DG B 15 19.867 11.694 1.562 1.00 2.04 H new ATOM 0 H4' DG B 15 21.143 11.046 3.271 1.00 2.08 H new ATOM 0 H3' DG B 15 21.917 13.445 2.559 1.00 2.21 H new ATOM 0 H2' DG B 15 23.547 12.828 0.810 1.00 2.10 H new ATOM 0 H2'' DG B 15 24.595 13.051 2.197 1.00 2.10 H new ATOM 0 HO3' DG B 15 23.446 13.479 4.227 1.00 2.32 H new ATOM 0 H1' DG B 15 24.829 10.809 2.580 1.00 1.95 H new ATOM 0 H8 DG B 15 23.437 11.530 -0.962 1.00 1.80 H new ATOM 0 H1 DG B 15 27.970 6.983 -0.590 1.00 1.65 H new ATOM 0 H21 DG B 15 27.660 7.392 2.849 1.00 1.80 H new ATOM 0 H22 DG B 15 28.453 6.558 1.508 1.00 1.80 H new TER 2284 DG B 15 ATOM 2285 OP3 DC C 16 35.028 4.028 -3.203 1.00 2.40 O ATOM 2286 P DC C 16 34.635 2.533 -2.823 1.00 2.45 P ATOM 2287 OP1 DC C 16 35.885 1.756 -2.625 1.00 2.66 O ATOM 2288 OP2 DC C 16 33.619 2.056 -3.796 1.00 2.37 O ATOM 2289 O5' DC C 16 33.928 2.707 -1.402 1.00 2.36 O ATOM 2290 C5' DC C 16 34.610 3.349 -0.296 1.00 2.43 C ATOM 2291 C4' DC C 16 33.809 3.170 0.971 1.00 2.41 C ATOM 2292 O4' DC C 16 32.738 4.166 0.992 1.00 2.24 O ATOM 2293 C3' DC C 16 33.086 1.836 1.135 1.00 2.43 C ATOM 2294 O3' DC C 16 32.824 1.529 2.503 1.00 2.51 O ATOM 2295 C2' DC C 16 31.767 2.074 0.416 1.00 2.22 C ATOM 2296 C1' DC C 16 31.496 3.540 0.727 1.00 2.12 C ATOM 2297 N1 DC C 16 30.844 4.279 -0.388 1.00 1.96 N ATOM 2298 C2 DC C 16 29.881 5.232 -0.062 1.00 1.85 C ATOM 2299 O2 DC C 16 29.606 5.420 1.130 1.00 1.89 O ATOM 2300 N3 DC C 16 29.274 5.914 -1.065 1.00 1.75 N ATOM 2301 C4 DC C 16 29.594 5.685 -2.343 1.00 1.76 C ATOM 2302 N4 DC C 16 28.973 6.383 -3.281 1.00 1.72 N ATOM 2303 C5 DC C 16 30.575 4.708 -2.703 1.00 1.88 C ATOM 2304 C6 DC C 16 31.174 4.037 -1.683 1.00 1.97 C ATOM 0 H5' DC C 16 34.744 4.410 -0.506 1.00 2.43 H new ATOM 0 H5'' DC C 16 35.605 2.921 -0.172 1.00 2.43 H new ATOM 0 H4' DC C 16 34.554 3.252 1.762 1.00 2.41 H new ATOM 0 H3' DC C 16 33.675 1.004 0.748 1.00 2.43 H new ATOM 0 H2' DC C 16 31.848 1.893 -0.656 1.00 2.22 H new ATOM 0 H2'' DC C 16 30.976 1.425 0.790 1.00 2.22 H new ATOM 0 H1' DC C 16 30.813 3.566 1.576 1.00 2.12 H new ATOM 0 H41 DC C 16 29.197 6.229 -4.264 1.00 1.72 H new ATOM 0 H42 DC C 16 28.270 7.075 -3.021 1.00 1.72 H new ATOM 0 H5 DC C 16 30.828 4.513 -3.735 1.00 1.88 H new ATOM 0 H6 DC C 16 31.928 3.297 -1.907 1.00 1.97 H new ATOM 2317 P DG C 17 31.613 0.558 2.869 1.00 2.47 P ATOM 2318 OP1 DG C 17 31.939 -0.204 4.091 1.00 2.67 O ATOM 2319 OP2 DG C 17 31.256 -0.249 1.677 1.00 2.40 O ATOM 2320 O5' DG C 17 30.449 1.604 3.172 1.00 2.30 O ATOM 2321 C5' DG C 17 30.734 2.740 4.025 1.00 2.35 C ATOM 2322 C4' DG C 17 29.509 3.091 4.836 1.00 2.31 C ATOM 2323 O4' DG C 17 28.606 3.882 4.002 1.00 2.11 O ATOM 2324 C3' DG C 17 28.652 1.920 5.312 1.00 2.34 C ATOM 2325 O3' DG C 17 27.876 2.251 6.462 1.00 2.42 O ATOM 2326 C2' DG C 17 27.721 1.681 4.134 1.00 2.12 C ATOM 2327 C1' DG C 17 27.497 3.096 3.615 1.00 1.99 C ATOM 2328 N9 DG C 17 27.374 3.179 2.135 1.00 1.83 N ATOM 2329 C8 DG C 17 28.052 2.473 1.161 1.00 1.83 C ATOM 2330 N7 DG C 17 27.705 2.784 -0.061 1.00 1.71 N ATOM 2331 C5 DG C 17 26.730 3.770 0.104 1.00 1.61 C ATOM 2332 C6 DG C 17 25.990 4.490 -0.860 1.00 1.50 C ATOM 2333 O6 DG C 17 26.032 4.413 -2.087 1.00 1.48 O ATOM 2334 N1 DG C 17 25.102 5.396 -0.253 1.00 1.48 N ATOM 2335 C2 DG C 17 24.952 5.570 1.108 1.00 1.57 C ATOM 2336 N2 DG C 17 24.051 6.478 1.492 1.00 1.60 N ATOM 2337 N3 DG C 17 25.656 4.897 2.015 1.00 1.67 N ATOM 2338 C4 DG C 17 26.523 4.016 1.450 1.00 1.68 C ATOM 0 H5' DG C 17 31.037 3.594 3.419 1.00 2.35 H new ATOM 0 H5'' DG C 17 31.567 2.508 4.689 1.00 2.35 H new ATOM 0 H4' DG C 17 29.914 3.596 5.713 1.00 2.31 H new ATOM 0 H3' DG C 17 29.259 1.061 5.598 1.00 2.34 H new ATOM 0 H2' DG C 17 28.174 1.037 3.380 1.00 2.12 H new ATOM 0 H2'' DG C 17 26.789 1.206 4.440 1.00 2.12 H new ATOM 0 H1' DG C 17 26.555 3.447 4.037 1.00 1.99 H new ATOM 0 H8 DG C 17 28.802 1.730 1.388 1.00 1.83 H new ATOM 0 H1 DG C 17 24.523 5.970 -0.867 1.00 1.48 H new ATOM 0 H21 DG C 17 23.894 6.653 2.485 1.00 1.60 H new ATOM 0 H22 DG C 17 23.520 6.997 0.793 1.00 1.60 H new ATOM 2350 P DA C 18 26.529 1.451 6.755 1.00 2.38 P ATOM 2351 OP1 DA C 18 26.307 1.366 8.212 1.00 2.59 O ATOM 2352 OP2 DA C 18 26.559 0.160 6.027 1.00 2.33 O ATOM 2353 O5' DA C 18 25.441 2.408 6.091 1.00 2.18 O ATOM 2354 C5' DA C 18 25.501 3.831 6.368 1.00 2.21 C ATOM 2355 C4' DA C 18 24.102 4.401 6.411 1.00 2.15 C ATOM 2356 O4' DA C 18 23.651 4.638 5.040 1.00 1.93 O ATOM 2357 C3' DA C 18 23.022 3.506 7.014 1.00 2.19 C ATOM 2358 O3' DA C 18 21.914 4.256 7.507 1.00 2.25 O ATOM 2359 C2' DA C 18 22.572 2.672 5.827 1.00 1.97 C ATOM 2360 C1' DA C 18 22.691 3.664 4.678 1.00 1.82 C ATOM 2361 N9 DA C 18 23.132 3.048 3.396 1.00 1.66 N ATOM 2362 C8 DA C 18 24.044 2.044 3.208 1.00 1.69 C ATOM 2363 N7 DA C 18 24.216 1.727 1.960 1.00 1.57 N ATOM 2364 C5 DA C 18 23.351 2.568 1.281 1.00 1.44 C ATOM 2365 C6 DA C 18 23.062 2.730 -0.090 1.00 1.32 C ATOM 2366 N6 DA C 18 23.644 1.997 -1.055 1.00 1.32 N ATOM 2367 N1 DA C 18 22.158 3.661 -0.425 1.00 1.27 N ATOM 2368 C2 DA C 18 21.587 4.379 0.538 1.00 1.35 C ATOM 2369 N3 DA C 18 21.772 4.331 1.840 1.00 1.46 N ATOM 2370 C4 DA C 18 22.684 3.389 2.144 1.00 1.49 C ATOM 0 H5' DA C 18 26.087 4.336 5.600 1.00 2.21 H new ATOM 0 H5'' DA C 18 26.004 4.005 7.319 1.00 2.21 H new ATOM 0 H4' DA C 18 24.201 5.285 7.041 1.00 2.15 H new ATOM 0 H3' DA C 18 23.395 2.931 7.862 1.00 2.19 H new ATOM 0 H2' DA C 18 23.206 1.798 5.679 1.00 1.97 H new ATOM 0 H2'' DA C 18 21.552 2.308 5.948 1.00 1.97 H new ATOM 0 H1' DA C 18 21.698 4.081 4.512 1.00 1.82 H new ATOM 0 H8 DA C 18 24.570 1.562 4.019 1.00 1.69 H new ATOM 0 H61 DA C 18 23.399 2.154 -2.033 1.00 1.32 H new ATOM 0 H62 DA C 18 24.330 1.284 -0.810 1.00 1.32 H new ATOM 0 H2 DA C 18 20.865 5.109 0.202 1.00 1.35 H new ATOM 2382 P DC C 19 20.484 3.561 7.612 1.00 2.21 P ATOM 2383 OP1 DC C 19 19.733 4.133 8.747 1.00 2.41 O ATOM 2384 OP2 DC C 19 20.655 2.088 7.624 1.00 2.18 O ATOM 2385 O5' DC C 19 19.813 4.005 6.235 1.00 2.00 O ATOM 2386 C5' DC C 19 19.903 5.394 5.830 1.00 2.01 C ATOM 2387 C4' DC C 19 18.649 5.794 5.088 1.00 1.95 C ATOM 2388 O4' DC C 19 18.759 5.331 3.703 1.00 1.73 O ATOM 2389 C3' DC C 19 17.341 5.180 5.587 1.00 1.99 C ATOM 2390 O3' DC C 19 16.208 5.968 5.232 1.00 2.05 O ATOM 2391 C2' DC C 19 17.282 3.856 4.840 1.00 1.78 C ATOM 2392 C1' DC C 19 17.911 4.217 3.501 1.00 1.62 C ATOM 2393 N1 DC C 19 18.730 3.126 2.909 1.00 1.46 N ATOM 2394 C2 DC C 19 18.684 2.954 1.528 1.00 1.30 C ATOM 2395 O2 DC C 19 17.968 3.704 0.854 1.00 1.30 O ATOM 2396 N3 DC C 19 19.423 1.962 0.969 1.00 1.20 N ATOM 2397 C4 DC C 19 20.187 1.166 1.726 1.00 1.28 C ATOM 2398 N4 DC C 19 20.892 0.217 1.129 1.00 1.26 N ATOM 2399 C5 DC C 19 20.248 1.321 3.146 1.00 1.46 C ATOM 2400 C6 DC C 19 19.501 2.322 3.685 1.00 1.54 C ATOM 0 H5' DC C 19 20.775 5.541 5.193 1.00 2.01 H new ATOM 0 H5'' DC C 19 20.037 6.029 6.705 1.00 2.01 H new ATOM 0 H4' DC C 19 18.595 6.873 5.229 1.00 1.95 H new ATOM 0 H3' DC C 19 17.319 5.094 6.673 1.00 1.99 H new ATOM 0 H2' DC C 19 17.839 3.073 5.354 1.00 1.78 H new ATOM 0 H2'' DC C 19 16.259 3.497 4.726 1.00 1.78 H new ATOM 0 H1' DC C 19 17.094 4.420 2.809 1.00 1.62 H new ATOM 0 H41 DC C 19 21.483 -0.404 1.682 1.00 1.26 H new ATOM 0 H42 DC C 19 20.844 0.107 0.116 1.00 1.26 H new ATOM 0 H5 DC C 19 20.857 0.675 3.761 1.00 1.46 H new ATOM 0 H6 DC C 19 19.522 2.480 4.753 1.00 1.54 H new ATOM 2412 P DG C 20 14.779 5.272 5.106 1.00 2.03 P ATOM 2413 OP1 DG C 20 13.722 6.229 5.486 1.00 2.23 O ATOM 2414 OP2 DG C 20 14.792 3.991 5.854 1.00 2.01 O ATOM 2415 O5' DG C 20 14.708 4.972 3.542 1.00 1.81 O ATOM 2416 C5' DG C 20 15.073 6.024 2.613 1.00 1.82 C ATOM 2417 C4' DG C 20 14.226 5.923 1.366 1.00 1.77 C ATOM 2418 O4' DG C 20 14.792 4.890 0.498 1.00 1.54 O ATOM 2419 C3' DG C 20 12.774 5.491 1.567 1.00 1.83 C ATOM 2420 O3' DG C 20 11.932 5.922 0.502 1.00 1.90 O ATOM 2421 C2' DG C 20 12.867 3.973 1.547 1.00 1.62 C ATOM 2422 C1' DG C 20 13.976 3.735 0.530 1.00 1.45 C ATOM 2423 N9 DG C 20 14.847 2.573 0.852 1.00 1.28 N ATOM 2424 C8 DG C 20 15.297 2.134 2.080 1.00 1.33 C ATOM 2425 N7 DG C 20 16.053 1.068 2.021 1.00 1.22 N ATOM 2426 C5 DG C 20 16.118 0.774 0.657 1.00 1.05 C ATOM 2427 C6 DG C 20 16.793 -0.266 -0.022 1.00 0.94 C ATOM 2428 O6 DG C 20 17.492 -1.167 0.440 1.00 0.97 O ATOM 2429 N1 DG C 20 16.587 -0.190 -1.410 1.00 0.87 N ATOM 2430 C2 DG C 20 15.822 0.764 -2.048 1.00 0.95 C ATOM 2431 N2 DG C 20 15.742 0.665 -3.378 1.00 0.99 N ATOM 2432 N3 DG C 20 15.192 1.747 -1.410 1.00 1.07 N ATOM 2433 C4 DG C 20 15.380 1.696 -0.065 1.00 1.10 C ATOM 0 H5' DG C 20 16.129 5.943 2.354 1.00 1.82 H new ATOM 0 H5'' DG C 20 14.934 6.999 3.080 1.00 1.82 H new ATOM 0 H4' DG C 20 14.229 6.937 0.966 1.00 1.77 H new ATOM 0 H3' DG C 20 12.346 5.912 2.477 1.00 1.83 H new ATOM 0 H2' DG C 20 13.118 3.567 2.527 1.00 1.62 H new ATOM 0 H2'' DG C 20 11.928 3.511 1.242 1.00 1.62 H new ATOM 0 H1' DG C 20 13.495 3.523 -0.425 1.00 1.45 H new ATOM 0 H8 DG C 20 15.047 2.627 3.008 1.00 1.33 H new ATOM 0 H1 DG C 20 17.039 -0.896 -1.991 1.00 0.87 H new ATOM 0 H21 DG C 20 15.191 1.341 -3.907 1.00 0.99 H new ATOM 0 H22 DG C 20 16.232 -0.086 -3.864 1.00 0.99 H new ATOM 2445 P DT C 21 10.590 5.120 0.190 1.00 1.90 P ATOM 2446 OP1 DT C 21 9.565 6.046 -0.332 1.00 2.12 O ATOM 2447 OP2 DT C 21 10.204 4.331 1.384 1.00 1.88 O ATOM 2448 O5' DT C 21 11.072 4.132 -0.964 1.00 1.69 O ATOM 2449 C5' DT C 21 11.853 4.670 -2.062 1.00 1.70 C ATOM 2450 C4' DT C 21 11.518 3.931 -3.338 1.00 1.66 C ATOM 2451 O4' DT C 21 12.263 2.673 -3.360 1.00 1.42 O ATOM 2452 C3' DT C 21 10.061 3.509 -3.514 1.00 1.74 C ATOM 2453 O3' DT C 21 9.715 3.327 -4.885 1.00 1.83 O ATOM 2454 C2' DT C 21 10.008 2.167 -2.803 1.00 1.53 C ATOM 2455 C1' DT C 21 11.385 1.592 -3.107 1.00 1.33 C ATOM 2456 N1 DT C 21 11.960 0.790 -1.993 1.00 1.14 N ATOM 2457 C2 DT C 21 12.678 -0.337 -2.331 1.00 0.96 C ATOM 2458 O2 DT C 21 12.851 -0.686 -3.486 1.00 0.97 O ATOM 2459 N3 DT C 21 13.194 -1.049 -1.267 1.00 0.84 N ATOM 2460 C4 DT C 21 13.056 -0.745 0.067 1.00 0.94 C ATOM 2461 O4 DT C 21 13.566 -1.464 0.937 1.00 0.94 O ATOM 2462 C5 DT C 21 12.287 0.448 0.327 1.00 1.13 C ATOM 2463 C7 DT C 21 12.118 0.822 1.768 1.00 1.30 C ATOM 2464 C6 DT C 21 11.773 1.172 -0.688 1.00 1.22 C ATOM 0 H5' DT C 21 12.917 4.575 -1.844 1.00 1.70 H new ATOM 0 H5'' DT C 21 11.645 5.733 -2.181 1.00 1.70 H new ATOM 0 H4' DT C 21 11.764 4.645 -4.124 1.00 1.66 H new ATOM 0 H3' DT C 21 9.370 4.259 -3.128 1.00 1.74 H new ATOM 0 H2' DT C 21 9.840 2.279 -1.732 1.00 1.53 H new ATOM 0 H2'' DT C 21 9.208 1.534 -3.186 1.00 1.53 H new ATOM 0 H1' DT C 21 11.271 0.924 -3.961 1.00 1.33 H new ATOM 0 H3 DT C 21 13.732 -1.885 -1.493 1.00 0.84 H new ATOM 0 H71 DT C 21 12.027 1.905 1.855 1.00 1.30 H new ATOM 0 H72 DT C 21 11.219 0.350 2.163 1.00 1.30 H new ATOM 0 H73 DT C 21 12.985 0.484 2.336 1.00 1.30 H new ATOM 0 H6 DT C 21 11.206 2.065 -0.471 1.00 1.22 H new ATOM 2477 P DT C 22 8.512 2.353 -5.266 1.00 1.85 P ATOM 2478 OP1 DT C 22 7.844 2.840 -6.490 1.00 2.09 O ATOM 2479 OP2 DT C 22 7.640 2.168 -4.082 1.00 1.83 O ATOM 2480 O5' DT C 22 9.287 0.994 -5.572 1.00 1.63 O ATOM 2481 C5' DT C 22 10.465 1.037 -6.417 1.00 1.63 C ATOM 2482 C4' DT C 22 10.553 -0.231 -7.234 1.00 1.59 C ATOM 2483 O4' DT C 22 11.129 -1.286 -6.402 1.00 1.34 O ATOM 2484 C3' DT C 22 9.230 -0.817 -7.722 1.00 1.69 C ATOM 2485 O3' DT C 22 9.398 -1.637 -8.876 1.00 1.79 O ATOM 2486 C2' DT C 22 8.792 -1.682 -6.554 1.00 1.48 C ATOM 2487 C1' DT C 22 10.121 -2.206 -6.027 1.00 1.26 C ATOM 2488 N1 DT C 22 10.166 -2.351 -4.547 1.00 1.06 N ATOM 2489 C2 DT C 22 10.846 -3.438 -4.040 1.00 0.86 C ATOM 2490 O2 DT C 22 11.398 -4.260 -4.751 1.00 0.87 O ATOM 2491 N3 DT C 22 10.863 -3.533 -2.664 1.00 0.72 N ATOM 2492 C4 DT C 22 10.274 -2.666 -1.772 1.00 0.82 C ATOM 2493 O4 DT C 22 10.356 -2.856 -0.554 1.00 0.82 O ATOM 2494 C5 DT C 22 9.581 -1.561 -2.393 1.00 1.04 C ATOM 2495 C7 DT C 22 8.931 -0.586 -1.460 1.00 1.21 C ATOM 2496 C6 DT C 22 9.549 -1.433 -3.735 1.00 1.13 C ATOM 0 H5' DT C 22 11.360 1.149 -5.805 1.00 1.63 H new ATOM 0 H5'' DT C 22 10.420 1.904 -7.077 1.00 1.63 H new ATOM 0 H4' DT C 22 11.138 0.063 -8.106 1.00 1.59 H new ATOM 0 H3' DT C 22 8.520 -0.040 -8.007 1.00 1.69 H new ATOM 0 H2' DT C 22 8.253 -1.107 -5.801 1.00 1.48 H new ATOM 0 H2'' DT C 22 8.132 -2.490 -6.870 1.00 1.48 H new ATOM 0 H1' DT C 22 10.265 -3.199 -6.452 1.00 1.26 H new ATOM 0 H3 DT C 22 11.364 -4.328 -2.267 1.00 0.72 H new ATOM 0 H71 DT C 22 8.628 -1.101 -0.549 1.00 1.21 H new ATOM 0 H72 DT C 22 9.638 0.206 -1.211 1.00 1.21 H new ATOM 0 H73 DT C 22 8.054 -0.152 -1.940 1.00 1.21 H new ATOM 0 H6 DT C 22 9.030 -0.595 -4.177 1.00 1.13 H new ATOM 2509 P DA C 23 8.331 -2.782 -9.184 1.00 1.82 P ATOM 2510 OP1 DA C 23 8.212 -2.973 -10.642 1.00 2.06 O ATOM 2511 OP2 DA C 23 7.072 -2.482 -8.463 1.00 1.81 O ATOM 2512 O5' DA C 23 9.031 -4.054 -8.522 1.00 1.58 O ATOM 2513 C5' DA C 23 10.436 -4.295 -8.791 1.00 1.56 C ATOM 2514 C4' DA C 23 10.696 -5.783 -8.840 1.00 1.53 C ATOM 2515 O4' DA C 23 10.822 -6.282 -7.471 1.00 1.27 O ATOM 2516 C3' DA C 23 9.597 -6.645 -9.457 1.00 1.64 C ATOM 2517 O3' DA C 23 10.098 -7.883 -9.954 1.00 1.73 O ATOM 2518 C2' DA C 23 8.678 -6.914 -8.277 1.00 1.44 C ATOM 2519 C1' DA C 23 9.663 -7.015 -7.121 1.00 1.21 C ATOM 2520 N9 DA C 23 9.145 -6.462 -5.841 1.00 1.01 N ATOM 2521 C8 DA C 23 8.358 -5.358 -5.651 1.00 1.06 C ATOM 2522 N7 DA C 23 8.075 -5.129 -4.402 1.00 0.92 N ATOM 2523 C5 DA C 23 8.708 -6.157 -3.727 1.00 0.72 C ATOM 2524 C6 DA C 23 8.794 -6.483 -2.357 1.00 0.57 C ATOM 2525 N6 DA C 23 8.196 -5.762 -1.393 1.00 0.64 N ATOM 2526 N1 DA C 23 9.511 -7.566 -2.023 1.00 0.51 N ATOM 2527 C2 DA C 23 10.098 -8.271 -2.986 1.00 0.61 C ATOM 2528 N3 DA C 23 10.099 -8.071 -4.286 1.00 0.75 N ATOM 2529 C4 DA C 23 9.374 -6.979 -4.590 1.00 0.79 C ATOM 0 H5' DA C 23 11.049 -3.834 -8.016 1.00 1.56 H new ATOM 0 H5'' DA C 23 10.719 -3.835 -9.738 1.00 1.56 H new ATOM 0 H4' DA C 23 11.586 -5.870 -9.463 1.00 1.53 H new ATOM 0 H3' DA C 23 9.121 -6.154 -10.306 1.00 1.64 H new ATOM 0 H2' DA C 23 7.958 -6.109 -8.130 1.00 1.44 H new ATOM 0 H2'' DA C 23 8.107 -7.833 -8.407 1.00 1.44 H new ATOM 0 H1' DA C 23 9.859 -8.075 -6.959 1.00 1.21 H new ATOM 0 H8 DA C 23 8.006 -4.736 -6.461 1.00 1.06 H new ATOM 0 H61 DA C 23 8.289 -6.040 -0.416 1.00 0.64 H new ATOM 0 H62 DA C 23 7.649 -4.937 -1.638 1.00 0.64 H new ATOM 0 H2 DA C 23 10.655 -9.134 -2.652 1.00 0.61 H new ATOM 2541 P DT C 24 9.115 -9.133 -10.072 1.00 1.76 P ATOM 2542 OP1 DT C 24 9.522 -9.981 -11.210 1.00 2.00 O ATOM 2543 OP2 DT C 24 7.713 -8.652 -10.091 1.00 1.77 O ATOM 2544 O5' DT C 24 9.396 -9.891 -8.697 1.00 1.53 O ATOM 2545 C5' DT C 24 10.770 -10.100 -8.285 1.00 1.51 C ATOM 2546 C4' DT C 24 10.887 -11.416 -7.549 1.00 1.48 C ATOM 2547 O4' DT C 24 10.450 -11.218 -6.166 1.00 1.23 O ATOM 2548 C3' DT C 24 10.014 -12.559 -8.061 1.00 1.60 C ATOM 2549 O3' DT C 24 10.540 -13.836 -7.710 1.00 1.69 O ATOM 2550 C2' DT C 24 8.702 -12.340 -7.322 1.00 1.40 C ATOM 2551 C1' DT C 24 9.179 -11.810 -5.977 1.00 1.18 C ATOM 2552 N1 DT C 24 8.282 -10.782 -5.385 1.00 0.99 N ATOM 2553 C2 DT C 24 8.104 -10.811 -4.017 1.00 0.79 C ATOM 2554 O2 DT C 24 8.647 -11.632 -3.299 1.00 0.82 O ATOM 2555 N3 DT C 24 7.267 -9.837 -3.512 1.00 0.67 N ATOM 2556 C4 DT C 24 6.605 -8.868 -4.230 1.00 0.77 C ATOM 2557 O4 DT C 24 5.875 -8.046 -3.664 1.00 0.78 O ATOM 2558 C5 DT C 24 6.846 -8.919 -5.652 1.00 0.99 C ATOM 2559 C7 DT C 24 6.152 -7.875 -6.475 1.00 1.18 C ATOM 2560 C6 DT C 24 7.665 -9.849 -6.182 1.00 1.07 C ATOM 0 H5' DT C 24 11.095 -9.282 -7.642 1.00 1.51 H new ATOM 0 H5'' DT C 24 11.425 -10.100 -9.156 1.00 1.51 H new ATOM 0 H4' DT C 24 11.931 -11.699 -7.684 1.00 1.48 H new ATOM 0 H3' DT C 24 9.934 -12.555 -9.148 1.00 1.60 H new ATOM 0 H2' DT C 24 8.058 -11.626 -7.836 1.00 1.40 H new ATOM 0 H2'' DT C 24 8.134 -13.264 -7.218 1.00 1.40 H new ATOM 0 H1' DT C 24 9.199 -12.656 -5.290 1.00 1.18 H new ATOM 0 H3 DT C 24 7.124 -9.835 -2.502 1.00 0.67 H new ATOM 0 H71 DT C 24 5.214 -7.597 -5.995 1.00 1.18 H new ATOM 0 H72 DT C 24 6.790 -6.996 -6.561 1.00 1.18 H new ATOM 0 H73 DT C 24 5.947 -8.272 -7.469 1.00 1.18 H new ATOM 0 H6 DT C 24 7.838 -9.861 -7.248 1.00 1.07 H new ATOM 2573 P DA C 25 9.555 -15.086 -7.599 1.00 1.73 P ATOM 2574 OP1 DA C 25 10.270 -16.321 -7.981 1.00 1.96 O ATOM 2575 OP2 DA C 25 8.312 -14.796 -8.353 1.00 1.74 O ATOM 2576 O5' DA C 25 9.237 -15.101 -6.036 1.00 1.52 O ATOM 2577 C5' DA C 25 10.336 -14.972 -5.099 1.00 1.50 C ATOM 2578 C4' DA C 25 10.046 -15.786 -3.858 1.00 1.49 C ATOM 2579 O4' DA C 25 9.152 -15.018 -2.992 1.00 1.26 O ATOM 2580 C3' DA C 25 9.317 -17.111 -4.072 1.00 1.62 C ATOM 2581 O3' DA C 25 9.552 -18.032 -3.011 1.00 1.72 O ATOM 2582 C2' DA C 25 7.853 -16.699 -4.061 1.00 1.43 C ATOM 2583 C1' DA C 25 7.851 -15.571 -3.037 1.00 1.22 C ATOM 2584 N9 DA C 25 6.902 -14.471 -3.360 1.00 1.02 N ATOM 2585 C8 DA C 25 6.593 -13.950 -4.588 1.00 1.06 C ATOM 2586 N7 DA C 25 5.725 -12.984 -4.542 1.00 0.94 N ATOM 2587 C5 DA C 25 5.432 -12.869 -3.194 1.00 0.78 C ATOM 2588 C6 DA C 25 4.569 -12.012 -2.479 1.00 0.68 C ATOM 2589 N6 DA C 25 3.807 -11.078 -3.071 1.00 0.74 N ATOM 2590 N1 DA C 25 4.523 -12.155 -1.146 1.00 0.65 N ATOM 2591 C2 DA C 25 5.281 -13.084 -0.571 1.00 0.74 C ATOM 2592 N3 DA C 25 6.122 -13.933 -1.120 1.00 0.84 N ATOM 2593 C4 DA C 25 6.148 -13.765 -2.455 1.00 0.85 C ATOM 0 H5' DA C 25 10.479 -13.925 -4.833 1.00 1.50 H new ATOM 0 H5'' DA C 25 11.262 -15.313 -5.561 1.00 1.50 H new ATOM 0 H4' DA C 25 11.034 -16.002 -3.452 1.00 1.49 H new ATOM 0 H3' DA C 25 9.644 -17.613 -4.983 1.00 1.62 H new ATOM 0 H2' DA C 25 7.517 -16.361 -5.041 1.00 1.43 H new ATOM 0 H2'' DA C 25 7.200 -17.520 -3.765 1.00 1.43 H new ATOM 0 H1' DA C 25 7.537 -16.003 -2.087 1.00 1.22 H new ATOM 0 H8 DA C 25 7.030 -14.308 -5.508 1.00 1.06 H new ATOM 0 H61 DA C 25 3.199 -10.483 -2.508 1.00 0.74 H new ATOM 0 H62 DA C 25 3.836 -10.963 -4.084 1.00 0.74 H new ATOM 0 H2 DA C 25 5.193 -13.151 0.503 1.00 0.74 H new ATOM 2605 P DT C 26 8.481 -19.175 -2.713 1.00 1.77 P ATOM 2606 OP1 DT C 26 9.164 -20.377 -2.195 1.00 2.01 O ATOM 2607 OP2 DT C 26 7.636 -19.377 -3.915 1.00 1.77 O ATOM 2608 O5' DT C 26 7.609 -18.501 -1.561 1.00 1.58 O ATOM 2609 C5' DT C 26 8.292 -17.860 -0.454 1.00 1.57 C ATOM 2610 C4' DT C 26 7.491 -18.037 0.814 1.00 1.58 C ATOM 2611 O4' DT C 26 6.419 -17.042 0.834 1.00 1.35 O ATOM 2612 C3' DT C 26 6.768 -19.372 0.976 1.00 1.70 C ATOM 2613 O3' DT C 26 6.506 -19.679 2.344 1.00 1.82 O ATOM 2614 C2' DT C 26 5.451 -19.134 0.257 1.00 1.52 C ATOM 2615 C1' DT C 26 5.178 -17.667 0.568 1.00 1.32 C ATOM 2616 N1 DT C 26 4.526 -16.930 -0.547 1.00 1.13 N ATOM 2617 C2 DT C 26 3.574 -15.990 -0.208 1.00 0.98 C ATOM 2618 O2 DT C 26 3.261 -15.754 0.944 1.00 1.02 O ATOM 2619 N3 DT C 26 2.996 -15.328 -1.274 1.00 0.87 N ATOM 2620 C4 DT C 26 3.274 -15.520 -2.607 1.00 0.92 C ATOM 2621 O4 DT C 26 2.687 -14.864 -3.477 1.00 0.93 O ATOM 2622 C5 DT C 26 4.277 -16.524 -2.864 1.00 1.08 C ATOM 2623 C7 DT C 26 4.618 -16.760 -4.306 1.00 1.23 C ATOM 2624 C6 DT C 26 4.868 -17.185 -1.851 1.00 1.17 C ATOM 0 H5' DT C 26 8.428 -16.799 -0.664 1.00 1.57 H new ATOM 0 H5'' DT C 26 9.286 -18.290 -0.330 1.00 1.57 H new ATOM 0 H4' DT C 26 8.235 -17.952 1.606 1.00 1.58 H new ATOM 0 H3' DT C 26 7.356 -20.204 0.589 1.00 1.70 H new ATOM 0 H2' DT C 26 5.533 -19.315 -0.815 1.00 1.52 H new ATOM 0 H2'' DT C 26 4.660 -19.784 0.630 1.00 1.52 H new ATOM 0 H1' DT C 26 4.494 -17.639 1.416 1.00 1.32 H new ATOM 0 H3 DT C 26 2.291 -14.625 -1.049 1.00 0.87 H new ATOM 0 H71 DT C 26 3.744 -16.555 -4.925 1.00 1.23 H new ATOM 0 H72 DT C 26 5.434 -16.099 -4.600 1.00 1.23 H new ATOM 0 H73 DT C 26 4.924 -17.797 -4.442 1.00 1.23 H new ATOM 0 H6 DT C 26 5.622 -17.927 -2.068 1.00 1.17 H new ATOM 2637 P DT C 27 5.295 -20.650 2.712 1.00 1.88 P ATOM 2638 OP1 DT C 27 5.621 -21.413 3.932 1.00 2.12 O ATOM 2639 OP2 DT C 27 4.938 -21.456 1.519 1.00 1.87 O ATOM 2640 O5' DT C 27 4.130 -19.604 3.013 1.00 1.69 O ATOM 2641 C5' DT C 27 4.416 -18.468 3.867 1.00 1.68 C ATOM 2642 C4' DT C 27 3.191 -18.117 4.678 1.00 1.69 C ATOM 2643 O4' DT C 27 2.289 -17.325 3.843 1.00 1.47 O ATOM 2644 C3' DT C 27 2.334 -19.288 5.154 1.00 1.82 C ATOM 2645 O3' DT C 27 1.559 -18.957 6.303 1.00 1.93 O ATOM 2646 C2' DT C 27 1.403 -19.526 3.976 1.00 1.65 C ATOM 2647 C1' DT C 27 1.179 -18.113 3.457 1.00 1.45 C ATOM 2648 N1 DT C 27 1.057 -18.029 1.976 1.00 1.27 N ATOM 2649 C2 DT C 27 0.142 -17.131 1.468 1.00 1.14 C ATOM 2650 O2 DT C 27 -0.549 -16.422 2.179 1.00 1.18 O ATOM 2651 N3 DT C 27 0.063 -17.086 0.090 1.00 1.03 N ATOM 2652 C4 DT C 27 0.792 -17.840 -0.799 1.00 1.07 C ATOM 2653 O4 DT C 27 0.632 -17.714 -2.018 1.00 1.06 O ATOM 2654 C5 DT C 27 1.719 -18.756 -0.176 1.00 1.21 C ATOM 2655 C7 DT C 27 2.541 -19.594 -1.109 1.00 1.33 C ATOM 2656 C6 DT C 27 1.829 -18.822 1.165 1.00 1.30 C ATOM 0 H5' DT C 27 4.720 -17.614 3.262 1.00 1.68 H new ATOM 0 H5'' DT C 27 5.249 -18.701 4.531 1.00 1.68 H new ATOM 0 H4' DT C 27 3.596 -17.613 5.556 1.00 1.69 H new ATOM 0 H3' DT C 27 2.941 -20.147 5.440 1.00 1.82 H new ATOM 0 H2' DT C 27 1.856 -20.170 3.222 1.00 1.65 H new ATOM 0 H2'' DT C 27 0.471 -20.000 4.282 1.00 1.65 H new ATOM 0 H1' DT C 27 0.237 -17.764 3.880 1.00 1.45 H new ATOM 0 H3 DT C 27 -0.604 -16.426 -0.309 1.00 1.03 H new ATOM 0 H71 DT C 27 1.980 -19.775 -2.026 1.00 1.33 H new ATOM 0 H72 DT C 27 3.467 -19.071 -1.348 1.00 1.33 H new ATOM 0 H73 DT C 27 2.775 -20.546 -0.633 1.00 1.33 H new ATOM 0 H6 DT C 27 2.535 -19.509 1.608 1.00 1.30 H new ATOM 2669 P DG C 28 0.212 -19.757 6.596 1.00 1.99 P ATOM 2670 OP1 DG C 28 -0.011 -19.841 8.053 1.00 2.23 O ATOM 2671 OP2 DG C 28 0.243 -21.048 5.869 1.00 1.99 O ATOM 2672 O5' DG C 28 -0.877 -18.800 5.933 1.00 1.81 O ATOM 2673 C5' DG C 28 -0.817 -17.377 6.209 1.00 1.79 C ATOM 2674 C4' DG C 28 -2.216 -16.806 6.253 1.00 1.80 C ATOM 2675 O4' DG C 28 -2.667 -16.571 4.881 1.00 1.60 O ATOM 2676 C3' DG C 28 -3.296 -17.701 6.856 1.00 1.93 C ATOM 2677 O3' DG C 28 -4.404 -16.952 7.349 1.00 2.04 O ATOM 2678 C2' DG C 28 -3.746 -18.537 5.668 1.00 1.78 C ATOM 2679 C1' DG C 28 -3.627 -17.543 4.519 1.00 1.59 C ATOM 2680 N9 DG C 28 -3.187 -18.161 3.238 1.00 1.43 N ATOM 2681 C8 DG C 28 -2.270 -19.168 3.024 1.00 1.44 C ATOM 2682 N7 DG C 28 -2.110 -19.486 1.764 1.00 1.33 N ATOM 2683 C5 DG C 28 -2.978 -18.627 1.086 1.00 1.24 C ATOM 2684 C6 DG C 28 -3.240 -18.499 -0.296 1.00 1.17 C ATOM 2685 O6 DG C 28 -2.755 -19.124 -1.239 1.00 1.18 O ATOM 2686 N1 DG C 28 -4.198 -17.499 -0.548 1.00 1.19 N ATOM 2687 C2 DG C 28 -4.818 -16.737 0.419 1.00 1.27 C ATOM 2688 N2 DG C 28 -5.706 -15.839 -0.018 1.00 1.35 N ATOM 2689 N3 DG C 28 -4.566 -16.852 1.721 1.00 1.33 N ATOM 2690 C4 DG C 28 -3.640 -17.810 1.986 1.00 1.31 C ATOM 0 H5' DG C 28 -0.232 -16.872 5.440 1.00 1.79 H new ATOM 0 H5'' DG C 28 -0.313 -17.202 7.159 1.00 1.79 H new ATOM 0 H4' DG C 28 -2.117 -15.922 6.882 1.00 1.80 H new ATOM 0 H3' DG C 28 -2.922 -18.275 7.704 1.00 1.93 H new ATOM 0 H2' DG C 28 -3.111 -19.410 5.520 1.00 1.78 H new ATOM 0 H2'' DG C 28 -4.766 -18.901 5.788 1.00 1.78 H new ATOM 0 H1' DG C 28 -4.619 -17.123 4.353 1.00 1.59 H new ATOM 0 H8 DG C 28 -1.731 -19.652 3.825 1.00 1.44 H new ATOM 0 H1 DG C 28 -4.453 -17.325 -1.520 1.00 1.19 H new ATOM 0 H21 DG C 28 -6.199 -15.244 0.648 1.00 1.35 H new ATOM 0 H22 DG C 28 -5.891 -15.749 -1.017 1.00 1.35 H new ATOM 2702 P DT C 29 -5.834 -17.647 7.453 1.00 2.11 P ATOM 2703 OP1 DT C 29 -6.585 -17.075 8.589 1.00 2.33 O ATOM 2704 OP2 DT C 29 -5.663 -19.120 7.466 1.00 2.12 O ATOM 2705 O5' DT C 29 -6.505 -17.203 6.077 1.00 1.95 O ATOM 2706 C5' DT C 29 -6.415 -15.814 5.672 1.00 1.92 C ATOM 2707 C4' DT C 29 -7.669 -15.416 4.930 1.00 1.94 C ATOM 2708 O4' DT C 29 -7.560 -15.876 3.545 1.00 1.76 O ATOM 2709 C3' DT C 29 -8.976 -16.028 5.428 1.00 2.08 C ATOM 2710 O3' DT C 29 -10.110 -15.239 5.073 1.00 2.19 O ATOM 2711 C2' DT C 29 -9.036 -17.351 4.682 1.00 1.95 C ATOM 2712 C1' DT C 29 -8.407 -16.991 3.343 1.00 1.77 C ATOM 2713 N1 DT C 29 -7.588 -18.081 2.751 1.00 1.62 N ATOM 2714 C2 DT C 29 -7.643 -18.241 1.381 1.00 1.52 C ATOM 2715 O2 DT C 29 -8.326 -17.532 0.663 1.00 1.57 O ATOM 2716 N3 DT C 29 -6.867 -19.265 0.876 1.00 1.43 N ATOM 2717 C4 DT C 29 -6.066 -20.122 1.595 1.00 1.45 C ATOM 2718 O4 DT C 29 -5.414 -21.006 1.028 1.00 1.42 O ATOM 2719 C5 DT C 29 -6.074 -19.883 3.018 1.00 1.56 C ATOM 2720 C7 DT C 29 -5.208 -20.788 3.842 1.00 1.65 C ATOM 2721 C6 DT C 29 -6.815 -18.888 3.548 1.00 1.64 C ATOM 0 H5' DT C 29 -5.542 -15.667 5.035 1.00 1.92 H new ATOM 0 H5'' DT C 29 -6.282 -15.178 6.547 1.00 1.92 H new ATOM 0 H4' DT C 29 -7.723 -14.337 5.072 1.00 1.94 H new ATOM 0 H3' DT C 29 -8.998 -16.113 6.514 1.00 2.08 H new ATOM 0 H2' DT C 29 -8.479 -18.134 5.196 1.00 1.95 H new ATOM 0 H2'' DT C 29 -10.059 -17.709 4.569 1.00 1.95 H new ATOM 0 HO3' DT C 29 -10.925 -15.667 5.409 1.00 2.19 H new ATOM 0 H1' DT C 29 -9.224 -16.789 2.651 1.00 1.77 H new ATOM 0 H3 DT C 29 -6.890 -19.400 -0.135 1.00 1.43 H new ATOM 0 H71 DT C 29 -5.134 -21.761 3.357 1.00 1.65 H new ATOM 0 H72 DT C 29 -4.213 -20.353 3.937 1.00 1.65 H new ATOM 0 H73 DT C 29 -5.647 -20.909 4.832 1.00 1.65 H new ATOM 0 H6 DT C 29 -6.800 -18.724 4.615 1.00 1.64 H new TER 2735 DT C 29