USER MOD reduce.3.24.130724 H: found=0, std=0, add=1241, rem=0, adj=36 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 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: C 22 DT C7 :methyl -30:sc= -7.47! (180deg=-9.9!) USER MOD Set 2.1: A 76 CYS SG : rot 106:sc= -3.63! USER MOD Set 2.2: B 6 DT C7 :methyl -30:sc= -9.11! (180deg=-5.07!) USER MOD Set 3.1: A 56 GLN : amide:sc= -0.547 K(o=-1,f=-0.35) USER MOD Set 3.2: A 59 HIS : no HD1:sc= -0.5 K(o=-1,f=-0.35) USER MOD Set 4.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 16 LYS NZ :NH3+ 156:sc= 1.25 (180deg=1.16) USER MOD Single : A 1 ARG N :NH3+ -164:sc= 1.08 (180deg=0.614) USER MOD Single : A 5 GLN : amide:sc= 1.24 K(o=1.2,f=-7.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0.0184 USER MOD Single : A 15 MET CE :methyl 175:sc= -0.634 (180deg=-0.702) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 70:sc= 0.189 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -1.65! K(o=-1.7!,f=-0.62) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 37 THR OG1 : rot 3:sc= 0.158 USER MOD Single : A 38 MET CE :methyl 168:sc= -0.0169 (180deg=-0.234) USER MOD Single : A 40 GLN : amide:sc= 0.0119 X(o=0.012,f=-0.019) USER MOD Single : A 43 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.14) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 92:sc= 0.453 USER MOD Single : A 52 THR OG1 : rot 78:sc= 0.616 USER MOD Single : A 61 TYR OH : rot 102:sc= 0.126 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -136:sc= 1.38 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 82:sc= 0.978 USER MOD Single : A 80 HIS : no HE2:sc= -5.81! C(o=-5.8!,f=-5.5!) USER MOD Single : A 81 TYR OH : rot 6:sc= 1.32 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -168:sc= 1.26 (180deg=1.01) USER MOD Single : A 98 LYS NZ :NH3+ -125:sc= -0.28 (180deg=-0.353) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 148:sc= -0.622 (180deg=-2.07!) USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 8 DT C7 :methyl -30:sc= -4.32! (180deg=-5.24!) USER MOD Single : B 13 DT C7 :methyl -30:sc= -3.71! (180deg=-5.08!) USER MOD Single : B 15 DG O3' : rot 180:sc= 0 USER MOD Single : C 21 DT C7 :methyl -30:sc= -5.35! (180deg=-12.1!) USER MOD Single : C 24 DT C7 :methyl -30:sc= -3.86! (180deg=-5.07!) USER MOD Single : C 26 DT C7 :methyl -30:sc= -3.86! (180deg=-5.08!) USER MOD Single : C 27 DT C7 :methyl -30:sc= -4.21! (180deg=-5.05!) USER MOD Single : C 29 DT C7 :methyl -30:sc= -3.74! (180deg=-5.06!) USER MOD Single : C 29 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -14.486 9.714 13.838 1.00 1.75 N ATOM 2 CA ARG A 1 -14.586 8.232 13.951 1.00 1.74 C ATOM 3 C ARG A 1 -15.910 7.673 13.422 1.00 1.77 C ATOM 4 O ARG A 1 -15.930 6.862 12.486 1.00 1.74 O ATOM 5 CB ARG A 1 -14.259 7.770 15.393 1.00 1.77 C ATOM 6 CG ARG A 1 -14.139 6.243 15.568 1.00 1.77 C ATOM 7 CD ARG A 1 -15.431 5.602 16.097 1.00 1.83 C ATOM 8 NE ARG A 1 -15.322 4.136 16.135 1.00 1.84 N ATOM 9 CZ ARG A 1 -14.881 3.365 17.106 1.00 1.86 C ATOM 10 NH1 ARG A 1 -14.447 3.832 18.241 1.00 1.89 N ATOM 11 NH2 ARG A 1 -14.878 2.080 16.922 1.00 1.87 N ATOM 0 H1 ARG A 1 -13.494 10.005 13.951 1.00 1.75 H new ATOM 0 H2 ARG A 1 -14.831 10.015 12.904 1.00 1.75 H new ATOM 0 H3 ARG A 1 -15.063 10.158 14.580 1.00 1.75 H new ATOM 0 HA ARG A 1 -13.829 7.804 13.293 1.00 1.74 H new ATOM 0 HB2 ARG A 1 -13.323 8.233 15.705 1.00 1.77 H new ATOM 0 HB3 ARG A 1 -15.035 8.139 16.063 1.00 1.77 H new ATOM 0 HG2 ARG A 1 -13.880 5.791 14.610 1.00 1.77 H new ATOM 0 HG3 ARG A 1 -13.322 6.024 16.255 1.00 1.77 H new ATOM 0 HD2 ARG A 1 -15.644 5.979 17.097 1.00 1.83 H new ATOM 0 HD3 ARG A 1 -16.269 5.890 15.463 1.00 1.83 H new ATOM 0 HE ARG A 1 -15.631 3.650 15.293 1.00 1.84 H new ATOM 0 HH11 ARG A 1 -14.439 4.838 18.409 1.00 1.89 H new ATOM 0 HH12 ARG A 1 -14.115 3.192 18.963 1.00 1.89 H new ATOM 0 HH21 ARG A 1 -15.212 1.690 16.041 1.00 1.87 H new ATOM 0 HH22 ARG A 1 -14.541 1.460 17.659 1.00 1.87 H new ATOM 27 N ALA A 2 -17.025 8.067 14.044 1.00 1.84 N ATOM 28 CA ALA A 2 -18.326 7.438 13.789 1.00 1.89 C ATOM 29 C ALA A 2 -18.844 7.653 12.357 1.00 1.88 C ATOM 30 O ALA A 2 -19.404 6.735 11.762 1.00 1.89 O ATOM 31 CB ALA A 2 -19.326 7.956 14.830 1.00 1.97 C ATOM 0 H ALA A 2 -17.053 8.821 14.730 1.00 1.84 H new ATOM 0 HA ALA A 2 -18.204 6.359 13.883 1.00 1.89 H new ATOM 0 HB1 ALA A 2 -20.301 7.499 14.657 1.00 1.97 H new ATOM 0 HB2 ALA A 2 -18.977 7.698 15.830 1.00 1.97 H new ATOM 0 HB3 ALA A 2 -19.412 9.039 14.744 1.00 1.97 H new ATOM 37 N ASP A 3 -18.608 8.832 11.780 1.00 1.87 N ATOM 38 CA ASP A 3 -19.024 9.133 10.405 1.00 1.88 C ATOM 39 C ASP A 3 -18.163 8.419 9.346 1.00 1.81 C ATOM 40 O ASP A 3 -18.695 8.019 8.312 1.00 1.82 O ATOM 41 CB ASP A 3 -18.977 10.653 10.203 1.00 1.90 C ATOM 42 CG ASP A 3 -19.599 11.080 8.862 1.00 1.92 C ATOM 43 OD1 ASP A 3 -20.831 10.916 8.690 1.00 1.98 O ATOM 44 OD2 ASP A 3 -18.870 11.626 8.000 1.00 1.89 O ATOM 0 H ASP A 3 -18.127 9.601 12.246 1.00 1.87 H new ATOM 0 HA ASP A 3 -20.039 8.759 10.268 1.00 1.88 H new ATOM 0 HB2 ASP A 3 -19.507 11.143 11.020 1.00 1.90 H new ATOM 0 HB3 ASP A 3 -17.942 10.992 10.246 1.00 1.90 H new ATOM 49 N GLU A 4 -16.875 8.173 9.631 1.00 1.74 N ATOM 50 CA GLU A 4 -16.027 7.377 8.733 1.00 1.68 C ATOM 51 C GLU A 4 -16.510 5.927 8.740 1.00 1.69 C ATOM 52 O GLU A 4 -16.729 5.336 7.684 1.00 1.68 O ATOM 53 CB GLU A 4 -14.555 7.427 9.166 1.00 1.62 C ATOM 54 CG GLU A 4 -13.957 8.841 9.220 1.00 1.61 C ATOM 55 CD GLU A 4 -14.003 9.415 10.645 1.00 1.65 C ATOM 56 OE1 GLU A 4 -15.094 9.791 11.139 1.00 1.71 O ATOM 57 OE2 GLU A 4 -12.956 9.446 11.330 1.00 1.62 O ATOM 0 H GLU A 4 -16.402 8.511 10.469 1.00 1.74 H new ATOM 0 HA GLU A 4 -16.100 7.796 7.729 1.00 1.68 H new ATOM 0 HB2 GLU A 4 -14.463 6.969 10.151 1.00 1.62 H new ATOM 0 HB3 GLU A 4 -13.965 6.822 8.477 1.00 1.62 H new ATOM 0 HG2 GLU A 4 -12.925 8.815 8.870 1.00 1.61 H new ATOM 0 HG3 GLU A 4 -14.507 9.496 8.544 1.00 1.61 H new ATOM 64 N GLN A 5 -16.775 5.378 9.933 1.00 1.72 N ATOM 65 CA GLN A 5 -17.340 4.032 10.030 1.00 1.75 C ATOM 66 C GLN A 5 -18.707 3.926 9.333 1.00 1.81 C ATOM 67 O GLN A 5 -18.897 3.026 8.516 1.00 1.81 O ATOM 68 CB GLN A 5 -17.391 3.534 11.481 1.00 1.78 C ATOM 69 CG GLN A 5 -15.980 3.223 12.024 1.00 1.73 C ATOM 70 CD GLN A 5 -15.983 2.034 12.980 1.00 1.77 C ATOM 71 OE1 GLN A 5 -15.904 2.169 14.195 1.00 1.80 O ATOM 72 NE2 GLN A 5 -16.079 0.823 12.477 1.00 1.77 N ATOM 0 H GLN A 5 -16.610 5.838 10.828 1.00 1.72 H new ATOM 0 HA GLN A 5 -16.664 3.367 9.492 1.00 1.75 H new ATOM 0 HB2 GLN A 5 -17.865 4.288 12.109 1.00 1.78 H new ATOM 0 HB3 GLN A 5 -18.009 2.638 11.537 1.00 1.78 H new ATOM 0 HG2 GLN A 5 -15.309 3.016 11.191 1.00 1.73 H new ATOM 0 HG3 GLN A 5 -15.588 4.100 12.538 1.00 1.73 H new ATOM 0 HE21 GLN A 5 -16.146 0.694 11.467 1.00 1.77 H new ATOM 0 HE22 GLN A 5 -16.087 0.013 13.096 1.00 1.77 H new ATOM 81 N ALA A 6 -19.622 4.872 9.550 1.00 1.86 N ATOM 82 CA ALA A 6 -20.901 4.918 8.838 1.00 1.92 C ATOM 83 C ALA A 6 -20.718 4.964 7.309 1.00 1.90 C ATOM 84 O ALA A 6 -21.298 4.140 6.592 1.00 1.92 O ATOM 85 CB ALA A 6 -21.714 6.113 9.352 1.00 1.98 C ATOM 0 H ALA A 6 -19.498 5.628 10.224 1.00 1.86 H new ATOM 0 HA ALA A 6 -21.448 3.997 9.041 1.00 1.92 H new ATOM 0 HB1 ALA A 6 -22.669 6.156 8.828 1.00 1.98 H new ATOM 0 HB2 ALA A 6 -21.892 5.999 10.421 1.00 1.98 H new ATOM 0 HB3 ALA A 6 -21.160 7.034 9.173 1.00 1.98 H new ATOM 91 N PHE A 7 -19.855 5.849 6.792 1.00 1.85 N ATOM 92 CA PHE A 7 -19.606 5.935 5.352 1.00 1.83 C ATOM 93 C PHE A 7 -18.743 4.787 4.801 1.00 1.77 C ATOM 94 O PHE A 7 -18.802 4.534 3.592 1.00 1.78 O ATOM 95 CB PHE A 7 -19.158 7.352 4.936 1.00 1.82 C ATOM 96 CG PHE A 7 -17.691 7.764 5.003 1.00 1.75 C ATOM 97 CD1 PHE A 7 -16.732 7.152 4.170 1.00 1.69 C ATOM 98 CD2 PHE A 7 -17.317 8.907 5.738 1.00 1.75 C ATOM 99 CE1 PHE A 7 -15.422 7.651 4.103 1.00 1.63 C ATOM 100 CE2 PHE A 7 -15.999 9.398 5.687 1.00 1.69 C ATOM 101 CZ PHE A 7 -15.047 8.766 4.872 1.00 1.63 C ATOM 0 H PHE A 7 -19.320 6.513 7.351 1.00 1.85 H new ATOM 0 HA PHE A 7 -20.562 5.776 4.853 1.00 1.83 H new ATOM 0 HB2 PHE A 7 -19.485 7.501 3.907 1.00 1.82 H new ATOM 0 HB3 PHE A 7 -19.716 8.057 5.552 1.00 1.82 H new ATOM 0 HD1 PHE A 7 -17.008 6.292 3.578 1.00 1.69 H new ATOM 0 HD2 PHE A 7 -18.051 9.412 6.348 1.00 1.75 H new ATOM 0 HE1 PHE A 7 -14.698 7.176 3.457 1.00 1.63 H new ATOM 0 HE2 PHE A 7 -15.720 10.260 6.274 1.00 1.69 H new ATOM 0 HZ PHE A 7 -14.032 9.134 4.836 1.00 1.63 H new ATOM 111 N LEU A 8 -18.058 4.005 5.658 1.00 1.73 N ATOM 112 CA LEU A 8 -17.392 2.797 5.143 1.00 1.69 C ATOM 113 C LEU A 8 -18.291 1.558 5.275 1.00 1.75 C ATOM 114 O LEU A 8 -18.043 0.565 4.598 1.00 1.73 O ATOM 115 CB LEU A 8 -16.035 2.601 5.847 1.00 1.63 C ATOM 116 CG LEU A 8 -14.814 2.700 4.921 1.00 1.56 C ATOM 117 CD1 LEU A 8 -14.687 1.435 4.080 1.00 1.55 C ATOM 118 CD2 LEU A 8 -14.795 3.944 4.027 1.00 1.55 C ATOM 0 H LEU A 8 -17.954 4.175 6.658 1.00 1.73 H new ATOM 0 HA LEU A 8 -17.205 2.932 4.078 1.00 1.69 H new ATOM 0 HB2 LEU A 8 -15.938 3.348 6.635 1.00 1.63 H new ATOM 0 HB3 LEU A 8 -16.029 1.624 6.331 1.00 1.63 H new ATOM 0 HG LEU A 8 -13.950 2.802 5.578 1.00 1.56 H new ATOM 0 HD11 LEU A 8 -13.818 1.518 3.428 1.00 1.55 H new ATOM 0 HD12 LEU A 8 -14.568 0.573 4.736 1.00 1.55 H new ATOM 0 HD13 LEU A 8 -15.584 1.309 3.474 1.00 1.55 H new ATOM 0 HD21 LEU A 8 -13.899 3.933 3.407 1.00 1.55 H new ATOM 0 HD22 LEU A 8 -15.678 3.947 3.388 1.00 1.55 H new ATOM 0 HD23 LEU A 8 -14.794 4.839 4.649 1.00 1.55 H new ATOM 130 N VAL A 9 -19.361 1.612 6.084 1.00 1.81 N ATOM 131 CA VAL A 9 -20.421 0.586 6.050 1.00 1.87 C ATOM 132 C VAL A 9 -21.291 0.797 4.802 1.00 1.92 C ATOM 133 O VAL A 9 -21.648 -0.167 4.117 1.00 1.94 O ATOM 134 CB VAL A 9 -21.255 0.599 7.349 1.00 1.93 C ATOM 135 CG1 VAL A 9 -22.542 -0.235 7.255 1.00 2.01 C ATOM 136 CG2 VAL A 9 -20.431 0.014 8.505 1.00 1.91 C ATOM 0 H VAL A 9 -19.517 2.352 6.768 1.00 1.81 H new ATOM 0 HA VAL A 9 -19.965 -0.402 5.989 1.00 1.87 H new ATOM 0 HB VAL A 9 -21.523 1.642 7.517 1.00 1.93 H new ATOM 0 HG11 VAL A 9 -23.080 -0.182 8.202 1.00 2.01 H new ATOM 0 HG12 VAL A 9 -23.172 0.158 6.457 1.00 2.01 H new ATOM 0 HG13 VAL A 9 -22.288 -1.273 7.039 1.00 2.01 H new ATOM 0 HG21 VAL A 9 -21.026 0.026 9.418 1.00 1.91 H new ATOM 0 HG22 VAL A 9 -20.150 -1.012 8.269 1.00 1.91 H new ATOM 0 HG23 VAL A 9 -19.531 0.612 8.650 1.00 1.91 H new ATOM 146 N ALA A 10 -21.554 2.057 4.439 1.00 1.93 N ATOM 147 CA ALA A 10 -22.178 2.385 3.158 1.00 1.97 C ATOM 148 C ALA A 10 -21.304 1.964 1.960 1.00 1.92 C ATOM 149 O ALA A 10 -21.814 1.315 1.036 1.00 1.96 O ATOM 150 CB ALA A 10 -22.490 3.887 3.133 1.00 1.99 C ATOM 0 H ALA A 10 -21.342 2.868 5.020 1.00 1.93 H new ATOM 0 HA ALA A 10 -23.105 1.820 3.061 1.00 1.97 H new ATOM 0 HB1 ALA A 10 -22.956 4.146 2.182 1.00 1.99 H new ATOM 0 HB2 ALA A 10 -23.170 4.131 3.949 1.00 1.99 H new ATOM 0 HB3 ALA A 10 -21.566 4.453 3.250 1.00 1.99 H new ATOM 156 N LEU A 11 -19.985 2.243 1.995 1.00 1.84 N ATOM 157 CA LEU A 11 -19.073 1.669 0.998 1.00 1.80 C ATOM 158 C LEU A 11 -19.074 0.143 1.047 1.00 1.80 C ATOM 159 O LEU A 11 -19.126 -0.455 -0.015 1.00 1.82 O ATOM 160 CB LEU A 11 -17.632 2.186 1.114 1.00 1.71 C ATOM 161 CG LEU A 11 -16.694 1.571 0.042 1.00 1.67 C ATOM 162 CD1 LEU A 11 -17.077 1.911 -1.400 1.00 1.71 C ATOM 163 CD2 LEU A 11 -15.273 2.072 0.247 1.00 1.59 C ATOM 0 H LEU A 11 -19.541 2.847 2.686 1.00 1.84 H new ATOM 0 HA LEU A 11 -19.461 2.002 0.035 1.00 1.80 H new ATOM 0 HB2 LEU A 11 -17.629 3.272 1.015 1.00 1.71 H new ATOM 0 HB3 LEU A 11 -17.245 1.955 2.107 1.00 1.71 H new ATOM 0 HG LEU A 11 -16.785 0.493 0.175 1.00 1.67 H new ATOM 0 HD11 LEU A 11 -16.370 1.442 -2.084 1.00 1.71 H new ATOM 0 HD12 LEU A 11 -18.082 1.542 -1.606 1.00 1.71 H new ATOM 0 HD13 LEU A 11 -17.052 2.992 -1.538 1.00 1.71 H new ATOM 0 HD21 LEU A 11 -14.621 1.636 -0.509 1.00 1.59 H new ATOM 0 HD22 LEU A 11 -15.254 3.158 0.160 1.00 1.59 H new ATOM 0 HD23 LEU A 11 -14.924 1.782 1.238 1.00 1.59 H new ATOM 175 N TYR A 12 -19.042 -0.503 2.214 1.00 1.80 N ATOM 176 CA TYR A 12 -19.064 -1.968 2.310 1.00 1.81 C ATOM 177 C TYR A 12 -20.251 -2.565 1.549 1.00 1.89 C ATOM 178 O TYR A 12 -20.054 -3.488 0.755 1.00 1.89 O ATOM 179 CB TYR A 12 -19.054 -2.431 3.774 1.00 1.82 C ATOM 180 CG TYR A 12 -19.403 -3.895 3.974 1.00 1.86 C ATOM 181 CD1 TYR A 12 -18.634 -4.899 3.354 1.00 1.84 C ATOM 182 CD2 TYR A 12 -20.541 -4.249 4.729 1.00 1.94 C ATOM 183 CE1 TYR A 12 -19.006 -6.254 3.477 1.00 1.89 C ATOM 184 CE2 TYR A 12 -20.908 -5.600 4.862 1.00 1.99 C ATOM 185 CZ TYR A 12 -20.145 -6.608 4.234 1.00 1.96 C ATOM 186 OH TYR A 12 -20.508 -7.915 4.345 1.00 2.02 O ATOM 0 H TYR A 12 -19.000 -0.030 3.117 1.00 1.80 H new ATOM 0 HA TYR A 12 -18.154 -2.338 1.838 1.00 1.81 H new ATOM 0 HB2 TYR A 12 -18.065 -2.246 4.194 1.00 1.82 H new ATOM 0 HB3 TYR A 12 -19.759 -1.822 4.339 1.00 1.82 H new ATOM 0 HD1 TYR A 12 -17.757 -4.631 2.783 1.00 1.84 H new ATOM 0 HD2 TYR A 12 -21.132 -3.481 5.206 1.00 1.94 H new ATOM 0 HE1 TYR A 12 -18.420 -7.021 2.992 1.00 1.89 H new ATOM 0 HE2 TYR A 12 -21.776 -5.867 5.446 1.00 1.99 H new ATOM 0 HH TYR A 12 -21.312 -7.985 4.901 1.00 2.02 H new ATOM 196 N LYS A 13 -21.454 -1.995 1.708 1.00 1.95 N ATOM 197 CA LYS A 13 -22.609 -2.386 0.889 1.00 2.03 C ATOM 198 C LYS A 13 -22.359 -2.128 -0.598 1.00 2.02 C ATOM 199 O LYS A 13 -22.419 -3.084 -1.378 1.00 2.05 O ATOM 200 CB LYS A 13 -23.881 -1.706 1.424 1.00 2.10 C ATOM 201 CG LYS A 13 -25.147 -2.212 0.712 1.00 2.18 C ATOM 202 CD LYS A 13 -26.437 -1.563 1.240 1.00 2.25 C ATOM 203 CE LYS A 13 -26.740 -1.963 2.692 1.00 2.27 C ATOM 204 NZ LYS A 13 -28.034 -1.395 3.155 1.00 2.34 N ATOM 0 H LYS A 13 -21.652 -1.265 2.393 1.00 1.95 H new ATOM 0 HA LYS A 13 -22.760 -3.462 0.971 1.00 2.03 H new ATOM 0 HB2 LYS A 13 -23.968 -1.891 2.495 1.00 2.10 H new ATOM 0 HB3 LYS A 13 -23.798 -0.627 1.293 1.00 2.10 H new ATOM 0 HG2 LYS A 13 -25.059 -2.014 -0.356 1.00 2.18 H new ATOM 0 HG3 LYS A 13 -25.216 -3.293 0.832 1.00 2.18 H new ATOM 0 HD2 LYS A 13 -26.348 -0.479 1.175 1.00 2.25 H new ATOM 0 HD3 LYS A 13 -27.273 -1.853 0.604 1.00 2.25 H new ATOM 0 HE2 LYS A 13 -26.769 -3.050 2.773 1.00 2.27 H new ATOM 0 HE3 LYS A 13 -25.936 -1.616 3.341 1.00 2.27 H new ATOM 0 HZ1 LYS A 13 -28.208 -1.684 4.139 1.00 2.34 H new ATOM 0 HZ2 LYS A 13 -27.997 -0.357 3.101 1.00 2.34 H new ATOM 0 HZ3 LYS A 13 -28.804 -1.746 2.550 1.00 2.34 H new ATOM 218 N TYR A 14 -22.017 -0.900 -1.010 1.00 2.00 N ATOM 219 CA TYR A 14 -21.729 -0.649 -2.429 1.00 2.00 C ATOM 220 C TYR A 14 -20.620 -1.520 -3.049 1.00 1.95 C ATOM 221 O TYR A 14 -20.779 -1.999 -4.169 1.00 1.99 O ATOM 222 CB TYR A 14 -21.399 0.843 -2.585 1.00 1.98 C ATOM 223 CG TYR A 14 -21.361 1.321 -4.024 1.00 2.01 C ATOM 224 CD1 TYR A 14 -22.567 1.601 -4.694 1.00 2.10 C ATOM 225 CD2 TYR A 14 -20.130 1.477 -4.694 1.00 1.96 C ATOM 226 CE1 TYR A 14 -22.551 2.034 -6.033 1.00 2.14 C ATOM 227 CE2 TYR A 14 -20.110 1.902 -6.038 1.00 1.99 C ATOM 228 CZ TYR A 14 -21.321 2.180 -6.710 1.00 2.09 C ATOM 229 OH TYR A 14 -21.297 2.557 -8.018 1.00 2.13 O ATOM 0 H TYR A 14 -21.934 -0.086 -0.401 1.00 2.00 H new ATOM 0 HA TYR A 14 -22.621 -0.933 -2.987 1.00 2.00 H new ATOM 0 HB2 TYR A 14 -22.140 1.427 -2.039 1.00 1.98 H new ATOM 0 HB3 TYR A 14 -20.432 1.041 -2.122 1.00 1.98 H new ATOM 0 HD1 TYR A 14 -23.509 1.483 -4.178 1.00 2.10 H new ATOM 0 HD2 TYR A 14 -19.204 1.271 -4.178 1.00 1.96 H new ATOM 0 HE1 TYR A 14 -23.478 2.254 -6.542 1.00 2.14 H new ATOM 0 HE2 TYR A 14 -19.168 2.015 -6.554 1.00 1.99 H new ATOM 0 HH TYR A 14 -20.368 2.610 -8.326 1.00 2.13 H new ATOM 239 N MET A 15 -19.517 -1.774 -2.339 1.00 1.88 N ATOM 240 CA MET A 15 -18.398 -2.559 -2.853 1.00 1.83 C ATOM 241 C MET A 15 -18.708 -4.062 -2.863 1.00 1.86 C ATOM 242 O MET A 15 -18.277 -4.762 -3.781 1.00 1.86 O ATOM 243 CB MET A 15 -17.074 -2.180 -2.180 1.00 1.74 C ATOM 244 CG MET A 15 -16.880 -2.696 -0.755 1.00 1.72 C ATOM 245 SD MET A 15 -15.482 -1.960 0.143 1.00 1.62 S ATOM 246 CE MET A 15 -14.123 -2.139 -1.049 1.00 1.57 C ATOM 0 H MET A 15 -19.377 -1.437 -1.386 1.00 1.88 H new ATOM 0 HA MET A 15 -18.258 -2.299 -3.902 1.00 1.83 H new ATOM 0 HB2 MET A 15 -16.256 -2.553 -2.796 1.00 1.74 H new ATOM 0 HB3 MET A 15 -16.993 -1.093 -2.167 1.00 1.74 H new ATOM 0 HG2 MET A 15 -17.794 -2.511 -0.190 1.00 1.72 H new ATOM 0 HG3 MET A 15 -16.741 -3.776 -0.791 1.00 1.72 H new ATOM 0 HE1 MET A 15 -13.231 -1.649 -0.660 1.00 1.57 H new ATOM 0 HE2 MET A 15 -13.916 -3.197 -1.208 1.00 1.57 H new ATOM 0 HE3 MET A 15 -14.406 -1.679 -1.996 1.00 1.57 H new ATOM 256 N LYS A 16 -19.537 -4.567 -1.930 1.00 1.90 N ATOM 257 CA LYS A 16 -20.083 -5.932 -2.025 1.00 1.96 C ATOM 258 C LYS A 16 -21.001 -6.079 -3.249 1.00 2.03 C ATOM 259 O LYS A 16 -20.899 -7.068 -3.973 1.00 2.05 O ATOM 260 CB LYS A 16 -20.780 -6.291 -0.703 1.00 1.99 C ATOM 261 CG LYS A 16 -21.236 -7.756 -0.665 1.00 2.05 C ATOM 262 CD LYS A 16 -21.437 -8.227 0.781 1.00 2.07 C ATOM 263 CE LYS A 16 -21.942 -9.673 0.801 1.00 2.13 C ATOM 264 NZ LYS A 16 -21.819 -10.265 2.157 1.00 2.15 N ATOM 0 H LYS A 16 -19.842 -4.051 -1.105 1.00 1.90 H new ATOM 0 HA LYS A 16 -19.272 -6.644 -2.178 1.00 1.96 H new ATOM 0 HB2 LYS A 16 -20.099 -6.103 0.127 1.00 1.99 H new ATOM 0 HB3 LYS A 16 -21.643 -5.640 -0.561 1.00 1.99 H new ATOM 0 HG2 LYS A 16 -22.167 -7.866 -1.221 1.00 2.05 H new ATOM 0 HG3 LYS A 16 -20.495 -8.385 -1.157 1.00 2.05 H new ATOM 0 HD2 LYS A 16 -20.497 -8.155 1.329 1.00 2.07 H new ATOM 0 HD3 LYS A 16 -22.152 -7.578 1.287 1.00 2.07 H new ATOM 0 HE2 LYS A 16 -22.984 -9.702 0.482 1.00 2.13 H new ATOM 0 HE3 LYS A 16 -21.373 -10.270 0.088 1.00 2.13 H new ATOM 0 HZ1 LYS A 16 -22.502 -11.043 2.260 1.00 2.15 H new ATOM 0 HZ2 LYS A 16 -20.855 -10.631 2.290 1.00 2.15 H new ATOM 0 HZ3 LYS A 16 -22.014 -9.536 2.873 1.00 2.15 H new ATOM 278 N GLU A 17 -21.784 -5.043 -3.559 1.00 2.07 N ATOM 279 CA GLU A 17 -22.540 -4.960 -4.828 1.00 2.13 C ATOM 280 C GLU A 17 -21.642 -4.704 -6.074 1.00 2.10 C ATOM 281 O GLU A 17 -22.139 -4.637 -7.201 1.00 2.16 O ATOM 282 CB GLU A 17 -23.632 -3.883 -4.663 1.00 2.18 C ATOM 283 CG GLU A 17 -24.808 -4.030 -5.637 1.00 2.27 C ATOM 284 CD GLU A 17 -25.946 -3.053 -5.282 1.00 2.33 C ATOM 285 OE1 GLU A 17 -25.951 -1.906 -5.793 1.00 2.34 O ATOM 286 OE2 GLU A 17 -26.855 -3.428 -4.502 1.00 2.37 O ATOM 0 H GLU A 17 -21.917 -4.238 -2.947 1.00 2.07 H new ATOM 0 HA GLU A 17 -22.997 -5.930 -5.026 1.00 2.13 H new ATOM 0 HB2 GLU A 17 -24.013 -3.920 -3.642 1.00 2.18 H new ATOM 0 HB3 GLU A 17 -23.181 -2.900 -4.800 1.00 2.18 H new ATOM 0 HG2 GLU A 17 -24.467 -3.842 -6.655 1.00 2.27 H new ATOM 0 HG3 GLU A 17 -25.181 -5.054 -5.610 1.00 2.27 H new ATOM 293 N ARG A 18 -20.317 -4.585 -5.883 1.00 2.02 N ATOM 294 CA ARG A 18 -19.337 -4.466 -6.988 1.00 1.99 C ATOM 295 C ARG A 18 -18.315 -5.621 -6.997 1.00 1.95 C ATOM 296 O ARG A 18 -17.241 -5.503 -7.591 1.00 1.90 O ATOM 297 CB ARG A 18 -18.697 -3.052 -6.997 1.00 1.94 C ATOM 298 CG ARG A 18 -19.457 -2.043 -7.877 1.00 2.01 C ATOM 299 CD ARG A 18 -20.729 -1.472 -7.241 1.00 2.06 C ATOM 300 NE ARG A 18 -21.534 -0.730 -8.229 1.00 2.13 N ATOM 301 CZ ARG A 18 -22.510 -1.209 -8.982 1.00 2.22 C ATOM 302 NH1 ARG A 18 -22.899 -2.453 -8.933 1.00 2.24 N ATOM 303 NH2 ARG A 18 -23.121 -0.427 -9.825 1.00 2.28 N ATOM 0 H ARG A 18 -19.889 -4.568 -4.957 1.00 2.02 H new ATOM 0 HA ARG A 18 -19.870 -4.571 -7.933 1.00 1.99 H new ATOM 0 HB2 ARG A 18 -18.656 -2.673 -5.976 1.00 1.94 H new ATOM 0 HB3 ARG A 18 -17.669 -3.129 -7.350 1.00 1.94 H new ATOM 0 HG2 ARG A 18 -18.788 -1.218 -8.122 1.00 2.01 H new ATOM 0 HG3 ARG A 18 -19.723 -2.528 -8.816 1.00 2.01 H new ATOM 0 HD2 ARG A 18 -21.323 -2.283 -6.819 1.00 2.06 H new ATOM 0 HD3 ARG A 18 -20.461 -0.811 -6.417 1.00 2.06 H new ATOM 0 HE ARG A 18 -21.314 0.259 -8.344 1.00 2.13 H new ATOM 0 HH11 ARG A 18 -22.445 -3.104 -8.293 1.00 2.24 H new ATOM 0 HH12 ARG A 18 -23.657 -2.774 -9.535 1.00 2.24 H new ATOM 0 HH21 ARG A 18 -22.846 0.552 -9.903 1.00 2.28 H new ATOM 0 HH22 ARG A 18 -23.874 -0.794 -10.407 1.00 2.28 H new ATOM 317 N LYS A 19 -18.649 -6.755 -6.357 1.00 1.97 N ATOM 318 CA LYS A 19 -17.868 -8.013 -6.303 1.00 1.95 C ATOM 319 C LYS A 19 -16.515 -7.827 -5.607 1.00 1.86 C ATOM 320 O LYS A 19 -15.584 -8.619 -5.791 1.00 1.84 O ATOM 321 CB LYS A 19 -17.763 -8.662 -7.702 1.00 1.99 C ATOM 322 CG LYS A 19 -19.133 -8.908 -8.356 1.00 2.09 C ATOM 323 CD LYS A 19 -18.982 -9.575 -9.729 1.00 2.13 C ATOM 324 CE LYS A 19 -20.358 -9.771 -10.376 1.00 2.22 C ATOM 325 NZ LYS A 19 -20.249 -10.394 -11.723 1.00 2.27 N ATOM 0 H LYS A 19 -19.520 -6.827 -5.832 1.00 1.97 H new ATOM 0 HA LYS A 19 -18.412 -8.720 -5.677 1.00 1.95 H new ATOM 0 HB2 LYS A 19 -17.167 -8.019 -8.350 1.00 1.99 H new ATOM 0 HB3 LYS A 19 -17.232 -9.610 -7.617 1.00 1.99 H new ATOM 0 HG2 LYS A 19 -19.740 -9.539 -7.707 1.00 2.09 H new ATOM 0 HG3 LYS A 19 -19.662 -7.961 -8.465 1.00 2.09 H new ATOM 0 HD2 LYS A 19 -18.353 -8.960 -10.373 1.00 2.13 H new ATOM 0 HD3 LYS A 19 -18.482 -10.538 -9.621 1.00 2.13 H new ATOM 0 HE2 LYS A 19 -20.976 -10.398 -9.734 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -20.861 -8.808 -10.460 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -21.199 -10.511 -12.129 1.00 2.27 H new ATOM 0 HZ2 LYS A 19 -19.680 -9.783 -12.343 1.00 2.27 H new ATOM 0 HZ3 LYS A 19 -19.792 -11.324 -11.639 1.00 2.27 H new ATOM 339 N THR A 20 -16.433 -6.785 -4.776 1.00 1.82 N ATOM 340 CA THR A 20 -15.196 -6.409 -4.091 1.00 1.73 C ATOM 341 C THR A 20 -15.467 -6.070 -2.614 1.00 1.72 C ATOM 342 O THR A 20 -15.172 -4.959 -2.183 1.00 1.68 O ATOM 343 CB THR A 20 -14.464 -5.266 -4.843 1.00 1.69 C ATOM 344 OG1 THR A 20 -14.414 -5.512 -6.234 1.00 1.72 O ATOM 345 CG2 THR A 20 -13.001 -5.106 -4.417 1.00 1.61 C ATOM 0 H THR A 20 -17.224 -6.178 -4.560 1.00 1.82 H new ATOM 0 HA THR A 20 -14.523 -7.266 -4.099 1.00 1.73 H new ATOM 0 HB THR A 20 -15.038 -4.373 -4.598 1.00 1.69 H new ATOM 0 HG1 THR A 20 -15.312 -5.420 -6.615 1.00 1.72 H new ATOM 0 HG21 THR A 20 -12.545 -4.291 -4.979 1.00 1.61 H new ATOM 0 HG22 THR A 20 -12.955 -4.882 -3.351 1.00 1.61 H new ATOM 0 HG23 THR A 20 -12.461 -6.031 -4.617 1.00 1.61 H new ATOM 353 N PRO A 21 -16.087 -6.967 -1.818 1.00 1.76 N ATOM 354 CA PRO A 21 -16.400 -6.702 -0.408 1.00 1.76 C ATOM 355 C PRO A 21 -15.141 -6.566 0.466 1.00 1.69 C ATOM 356 O PRO A 21 -14.086 -7.113 0.147 1.00 1.66 O ATOM 357 CB PRO A 21 -17.252 -7.897 0.037 1.00 1.84 C ATOM 358 CG PRO A 21 -16.752 -9.039 -0.843 1.00 1.85 C ATOM 359 CD PRO A 21 -16.472 -8.331 -2.166 1.00 1.82 C ATOM 0 HA PRO A 21 -16.920 -5.750 -0.297 1.00 1.76 H new ATOM 0 HB2 PRO A 21 -17.114 -8.116 1.096 1.00 1.84 H new ATOM 0 HB3 PRO A 21 -18.315 -7.710 -0.114 1.00 1.84 H new ATOM 0 HG2 PRO A 21 -15.856 -9.506 -0.434 1.00 1.85 H new ATOM 0 HG3 PRO A 21 -17.499 -9.825 -0.953 1.00 1.85 H new ATOM 0 HD2 PRO A 21 -15.676 -8.833 -2.716 1.00 1.82 H new ATOM 0 HD3 PRO A 21 -17.354 -8.336 -2.806 1.00 1.82 H new ATOM 367 N ILE A 22 -15.275 -5.937 1.639 1.00 1.68 N ATOM 368 CA ILE A 22 -14.208 -5.949 2.674 1.00 1.64 C ATOM 369 C ILE A 22 -13.889 -7.398 3.128 1.00 1.67 C ATOM 370 O ILE A 22 -12.781 -7.706 3.558 1.00 1.64 O ATOM 371 CB ILE A 22 -14.601 -4.990 3.831 1.00 1.64 C ATOM 372 CG1 ILE A 22 -14.665 -3.547 3.292 1.00 1.61 C ATOM 373 CG2 ILE A 22 -13.624 -5.078 5.020 1.00 1.61 C ATOM 374 CD1 ILE A 22 -15.122 -2.490 4.305 1.00 1.62 C ATOM 0 H ILE A 22 -16.107 -5.411 1.905 1.00 1.68 H new ATOM 0 HA ILE A 22 -13.274 -5.572 2.257 1.00 1.64 H new ATOM 0 HB ILE A 22 -15.579 -5.293 4.205 1.00 1.64 H new ATOM 0 HG12 ILE A 22 -13.677 -3.270 2.923 1.00 1.61 H new ATOM 0 HG13 ILE A 22 -15.342 -3.525 2.438 1.00 1.61 H new ATOM 0 HG21 ILE A 22 -13.941 -4.389 5.803 1.00 1.61 H new ATOM 0 HG22 ILE A 22 -13.618 -6.095 5.412 1.00 1.61 H new ATOM 0 HG23 ILE A 22 -12.621 -4.812 4.687 1.00 1.61 H new ATOM 0 HD11 ILE A 22 -15.133 -1.510 3.828 1.00 1.62 H new ATOM 0 HD12 ILE A 22 -16.124 -2.733 4.658 1.00 1.62 H new ATOM 0 HD13 ILE A 22 -14.434 -2.474 5.150 1.00 1.62 H new ATOM 386 N GLU A 23 -14.854 -8.300 2.924 1.00 1.74 N ATOM 387 CA GLU A 23 -14.644 -9.756 3.061 1.00 1.78 C ATOM 388 C GLU A 23 -13.477 -10.341 2.214 1.00 1.75 C ATOM 389 O GLU A 23 -13.049 -11.466 2.489 1.00 1.78 O ATOM 390 CB GLU A 23 -15.948 -10.521 2.778 1.00 1.87 C ATOM 391 CG GLU A 23 -17.078 -10.151 3.747 1.00 1.91 C ATOM 392 CD GLU A 23 -18.311 -11.043 3.518 1.00 2.00 C ATOM 393 OE1 GLU A 23 -19.131 -10.724 2.626 1.00 2.02 O ATOM 394 OE2 GLU A 23 -18.471 -12.067 4.228 1.00 2.06 O ATOM 0 H GLU A 23 -15.806 -8.047 2.659 1.00 1.74 H new ATOM 0 HA GLU A 23 -14.341 -9.898 4.098 1.00 1.78 H new ATOM 0 HB2 GLU A 23 -16.270 -10.316 1.757 1.00 1.87 H new ATOM 0 HB3 GLU A 23 -15.757 -11.592 2.843 1.00 1.87 H new ATOM 0 HG2 GLU A 23 -16.731 -10.259 4.775 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -17.351 -9.104 3.611 1.00 1.91 H new ATOM 401 N ARG A 24 -12.909 -9.597 1.240 1.00 1.69 N ATOM 402 CA ARG A 24 -11.670 -9.951 0.501 1.00 1.65 C ATOM 403 C ARG A 24 -10.474 -9.014 0.783 1.00 1.57 C ATOM 404 O ARG A 24 -9.456 -9.082 0.092 1.00 1.53 O ATOM 405 CB ARG A 24 -11.970 -10.156 -1.003 1.00 1.67 C ATOM 406 CG ARG A 24 -11.941 -8.888 -1.882 1.00 1.62 C ATOM 407 CD ARG A 24 -12.535 -9.129 -3.279 1.00 1.67 C ATOM 408 NE ARG A 24 -11.740 -10.078 -4.080 1.00 1.67 N ATOM 409 CZ ARG A 24 -12.032 -10.540 -5.288 1.00 1.72 C ATOM 410 NH1 ARG A 24 -13.111 -10.202 -5.938 1.00 1.77 N ATOM 411 NH2 ARG A 24 -11.219 -11.368 -5.878 1.00 1.72 N ATOM 0 H ARG A 24 -13.308 -8.709 0.935 1.00 1.69 H new ATOM 0 HA ARG A 24 -11.328 -10.909 0.894 1.00 1.65 H new ATOM 0 HB2 ARG A 24 -11.247 -10.867 -1.403 1.00 1.67 H new ATOM 0 HB3 ARG A 24 -12.954 -10.616 -1.097 1.00 1.67 H new ATOM 0 HG2 ARG A 24 -12.497 -8.093 -1.386 1.00 1.62 H new ATOM 0 HG3 ARG A 24 -10.912 -8.542 -1.982 1.00 1.62 H new ATOM 0 HD2 ARG A 24 -13.551 -9.509 -3.176 1.00 1.67 H new ATOM 0 HD3 ARG A 24 -12.602 -8.179 -3.810 1.00 1.67 H new ATOM 0 HE ARG A 24 -10.874 -10.415 -3.660 1.00 1.67 H new ATOM 0 HH11 ARG A 24 -13.777 -9.553 -5.518 1.00 1.77 H new ATOM 0 HH12 ARG A 24 -13.289 -10.586 -6.866 1.00 1.77 H new ATOM 0 HH21 ARG A 24 -10.360 -11.659 -5.411 1.00 1.72 H new ATOM 0 HH22 ARG A 24 -11.441 -11.725 -6.807 1.00 1.72 H new ATOM 425 N ILE A 25 -10.578 -8.169 1.812 1.00 1.55 N ATOM 426 CA ILE A 25 -9.597 -7.152 2.235 1.00 1.48 C ATOM 427 C ILE A 25 -9.324 -7.334 3.750 1.00 1.49 C ATOM 428 O ILE A 25 -9.851 -6.589 4.581 1.00 1.50 O ATOM 429 CB ILE A 25 -10.077 -5.719 1.874 1.00 1.45 C ATOM 430 CG1 ILE A 25 -10.643 -5.600 0.437 1.00 1.46 C ATOM 431 CG2 ILE A 25 -8.886 -4.758 2.045 1.00 1.37 C ATOM 432 CD1 ILE A 25 -11.209 -4.214 0.102 1.00 1.45 C ATOM 0 H ILE A 25 -11.401 -8.173 2.414 1.00 1.55 H new ATOM 0 HA ILE A 25 -8.659 -7.288 1.696 1.00 1.48 H new ATOM 0 HB ILE A 25 -10.899 -5.465 2.544 1.00 1.45 H new ATOM 0 HG12 ILE A 25 -9.853 -5.840 -0.275 1.00 1.46 H new ATOM 0 HG13 ILE A 25 -11.429 -6.344 0.304 1.00 1.46 H new ATOM 0 HG21 ILE A 25 -9.198 -3.744 1.797 1.00 1.37 H new ATOM 0 HG22 ILE A 25 -8.539 -4.789 3.078 1.00 1.37 H new ATOM 0 HG23 ILE A 25 -8.076 -5.061 1.381 1.00 1.37 H new ATOM 0 HD11 ILE A 25 -11.585 -4.212 -0.921 1.00 1.45 H new ATOM 0 HD12 ILE A 25 -12.022 -3.977 0.788 1.00 1.45 H new ATOM 0 HD13 ILE A 25 -10.422 -3.466 0.200 1.00 1.45 H new ATOM 444 N PRO A 26 -8.589 -8.391 4.129 1.00 1.53 N ATOM 445 CA PRO A 26 -8.404 -8.747 5.541 1.00 1.57 C ATOM 446 C PRO A 26 -7.685 -7.734 6.434 1.00 1.52 C ATOM 447 O PRO A 26 -8.296 -7.208 7.369 1.00 1.50 O ATOM 448 CB PRO A 26 -7.655 -10.081 5.491 1.00 1.62 C ATOM 449 CG PRO A 26 -7.025 -10.144 4.143 1.00 1.59 C ATOM 450 CD PRO A 26 -7.869 -9.302 3.222 1.00 1.55 C ATOM 0 HA PRO A 26 -9.381 -8.786 6.023 1.00 1.57 H new ATOM 0 HB2 PRO A 26 -6.902 -10.136 6.277 1.00 1.62 H new ATOM 0 HB3 PRO A 26 -8.337 -10.918 5.643 1.00 1.62 H new ATOM 0 HG2 PRO A 26 -6.002 -9.770 4.178 1.00 1.59 H new ATOM 0 HG3 PRO A 26 -6.976 -11.173 3.788 1.00 1.59 H new ATOM 0 HD2 PRO A 26 -7.254 -8.752 2.509 1.00 1.55 H new ATOM 0 HD3 PRO A 26 -8.559 -9.915 2.642 1.00 1.55 H new ATOM 458 N TYR A 27 -6.411 -7.445 6.179 1.00 1.52 N ATOM 459 CA TYR A 27 -5.676 -6.537 7.067 1.00 1.49 C ATOM 460 C TYR A 27 -4.922 -5.427 6.349 1.00 1.38 C ATOM 461 O TYR A 27 -4.900 -5.334 5.125 1.00 1.34 O ATOM 462 CB TYR A 27 -4.644 -7.320 7.901 1.00 1.61 C ATOM 463 CG TYR A 27 -4.792 -8.833 7.895 1.00 1.65 C ATOM 464 CD1 TYR A 27 -4.396 -9.599 6.800 1.00 1.76 C ATOM 465 CD2 TYR A 27 -5.301 -9.495 9.002 1.00 1.91 C ATOM 466 CE1 TYR A 27 -4.514 -10.978 6.811 1.00 2.09 C ATOM 467 CE2 TYR A 27 -5.417 -10.874 9.023 1.00 2.21 C ATOM 468 CZ TYR A 27 -5.023 -11.611 7.924 1.00 2.29 C ATOM 469 OH TYR A 27 -5.136 -12.985 7.939 1.00 2.75 O ATOM 0 H TYR A 27 -5.876 -7.811 5.391 1.00 1.52 H new ATOM 0 HA TYR A 27 -6.445 -6.077 7.687 1.00 1.49 H new ATOM 0 HB2 TYR A 27 -3.647 -7.071 7.536 1.00 1.61 H new ATOM 0 HB3 TYR A 27 -4.702 -6.973 8.933 1.00 1.61 H new ATOM 0 HD1 TYR A 27 -3.990 -9.108 5.928 1.00 1.76 H new ATOM 0 HD2 TYR A 27 -5.613 -8.924 9.864 1.00 1.91 H new ATOM 0 HE1 TYR A 27 -4.208 -11.555 5.951 1.00 2.09 H new ATOM 0 HE2 TYR A 27 -5.814 -11.372 9.895 1.00 2.21 H new ATOM 0 HH TYR A 27 -5.512 -13.273 8.797 1.00 2.75 H new ATOM 479 N LEU A 28 -4.305 -4.593 7.185 1.00 1.39 N ATOM 480 CA LEU A 28 -3.441 -3.496 6.772 1.00 1.35 C ATOM 481 C LEU A 28 -2.092 -4.141 6.459 1.00 1.35 C ATOM 482 O LEU A 28 -1.877 -5.271 6.891 1.00 1.38 O ATOM 483 CB LEU A 28 -3.339 -2.488 7.924 1.00 1.42 C ATOM 484 CG LEU A 28 -2.570 -1.190 7.682 1.00 1.37 C ATOM 485 CD1 LEU A 28 -3.487 -0.138 7.081 1.00 1.58 C ATOM 486 CD2 LEU A 28 -1.980 -0.685 8.994 1.00 1.77 C ATOM 0 H LEU A 28 -4.398 -4.667 8.198 1.00 1.39 H new ATOM 0 HA LEU A 28 -3.814 -2.953 5.903 1.00 1.35 H new ATOM 0 HB2 LEU A 28 -4.352 -2.223 8.225 1.00 1.42 H new ATOM 0 HB3 LEU A 28 -2.877 -2.996 8.771 1.00 1.42 H new ATOM 0 HG LEU A 28 -1.759 -1.386 6.980 1.00 1.37 H new ATOM 0 HD11 LEU A 28 -2.926 0.781 6.914 1.00 1.58 H new ATOM 0 HD12 LEU A 28 -3.882 -0.499 6.132 1.00 1.58 H new ATOM 0 HD13 LEU A 28 -4.312 0.060 7.766 1.00 1.58 H new ATOM 0 HD21 LEU A 28 -1.433 0.241 8.815 1.00 1.77 H new ATOM 0 HD22 LEU A 28 -2.784 -0.499 9.707 1.00 1.77 H new ATOM 0 HD23 LEU A 28 -1.301 -1.435 9.400 1.00 1.77 H new ATOM 498 N GLY A 29 -1.183 -3.457 5.760 1.00 1.36 N ATOM 499 CA GLY A 29 0.077 -4.099 5.365 1.00 1.41 C ATOM 500 C GLY A 29 0.742 -4.948 6.453 1.00 1.47 C ATOM 501 O GLY A 29 1.022 -6.123 6.210 1.00 1.53 O ATOM 0 H GLY A 29 -1.288 -2.487 5.462 1.00 1.36 H new ATOM 0 HA2 GLY A 29 -0.112 -4.731 4.497 1.00 1.41 H new ATOM 0 HA3 GLY A 29 0.778 -3.326 5.050 1.00 1.41 H new ATOM 505 N PHE A 30 1.013 -4.392 7.636 1.00 1.52 N ATOM 506 CA PHE A 30 1.586 -5.205 8.714 1.00 1.61 C ATOM 507 C PHE A 30 0.549 -5.528 9.804 1.00 1.61 C ATOM 508 O PHE A 30 0.458 -6.661 10.277 1.00 1.66 O ATOM 509 CB PHE A 30 2.854 -4.574 9.308 1.00 1.76 C ATOM 510 CG PHE A 30 2.619 -3.387 10.198 1.00 1.83 C ATOM 511 CD1 PHE A 30 2.416 -2.127 9.652 1.00 2.34 C ATOM 512 CD2 PHE A 30 2.594 -3.527 11.574 1.00 2.24 C ATOM 513 CE1 PHE A 30 2.195 -1.034 10.464 1.00 2.75 C ATOM 514 CE2 PHE A 30 2.374 -2.437 12.391 1.00 2.87 C ATOM 515 CZ PHE A 30 2.192 -1.197 11.853 1.00 2.93 C ATOM 0 H PHE A 30 0.852 -3.412 7.870 1.00 1.52 H new ATOM 0 HA PHE A 30 1.885 -6.151 8.263 1.00 1.61 H new ATOM 0 HB2 PHE A 30 3.387 -5.335 9.877 1.00 1.76 H new ATOM 0 HB3 PHE A 30 3.508 -4.271 8.490 1.00 1.76 H new ATOM 0 HD1 PHE A 30 2.431 -2.001 8.579 1.00 2.34 H new ATOM 0 HD2 PHE A 30 2.749 -4.501 12.014 1.00 2.24 H new ATOM 0 HE1 PHE A 30 2.026 -0.060 10.030 1.00 2.75 H new ATOM 0 HE2 PHE A 30 2.346 -2.567 13.463 1.00 2.87 H new ATOM 0 HZ PHE A 30 2.046 -0.343 12.498 1.00 2.93 H new ATOM 525 N LYS A 31 -0.226 -4.510 10.190 1.00 1.61 N ATOM 526 CA LYS A 31 -1.232 -4.629 11.252 1.00 1.66 C ATOM 527 C LYS A 31 -2.644 -4.805 10.688 1.00 1.60 C ATOM 528 O LYS A 31 -2.817 -5.051 9.502 1.00 1.53 O ATOM 529 CB LYS A 31 -1.179 -3.381 12.140 1.00 1.73 C ATOM 530 CG LYS A 31 -1.481 -3.637 13.613 1.00 1.80 C ATOM 531 CD LYS A 31 -1.867 -2.349 14.336 1.00 2.09 C ATOM 532 CE LYS A 31 -0.903 -1.205 14.025 1.00 2.48 C ATOM 533 NZ LYS A 31 -1.416 0.111 14.503 1.00 3.02 N ATOM 0 H LYS A 31 -0.174 -3.579 9.775 1.00 1.61 H new ATOM 0 HA LYS A 31 -1.001 -5.519 11.837 1.00 1.66 H new ATOM 0 HB2 LYS A 31 -0.188 -2.935 12.058 1.00 1.73 H new ATOM 0 HB3 LYS A 31 -1.891 -2.649 11.758 1.00 1.73 H new ATOM 0 HG2 LYS A 31 -2.291 -4.361 13.699 1.00 1.80 H new ATOM 0 HG3 LYS A 31 -0.608 -4.078 14.094 1.00 1.80 H new ATOM 0 HD2 LYS A 31 -2.877 -2.060 14.047 1.00 2.09 H new ATOM 0 HD3 LYS A 31 -1.882 -2.528 15.411 1.00 2.09 H new ATOM 0 HE2 LYS A 31 0.061 -1.408 14.491 1.00 2.48 H new ATOM 0 HE3 LYS A 31 -0.733 -1.158 12.949 1.00 2.48 H new ATOM 0 HZ1 LYS A 31 -0.729 0.857 14.270 1.00 3.02 H new ATOM 0 HZ2 LYS A 31 -2.323 0.319 14.039 1.00 3.02 H new ATOM 0 HZ3 LYS A 31 -1.554 0.077 15.533 1.00 3.02 H new ATOM 547 N GLN A 32 -3.647 -4.728 11.569 1.00 1.67 N ATOM 548 CA GLN A 32 -5.055 -4.862 11.180 1.00 1.66 C ATOM 549 C GLN A 32 -5.465 -3.722 10.242 1.00 1.58 C ATOM 550 O GLN A 32 -4.866 -2.651 10.285 1.00 1.55 O ATOM 551 CB GLN A 32 -5.922 -4.897 12.432 1.00 1.78 C ATOM 552 CG GLN A 32 -5.752 -6.178 13.236 1.00 1.93 C ATOM 553 CD GLN A 32 -6.438 -7.366 12.589 1.00 2.33 C ATOM 554 OE1 GLN A 32 -7.637 -7.582 12.770 1.00 2.95 O ATOM 555 NE2 GLN A 32 -5.677 -8.154 11.840 1.00 2.75 N ATOM 0 H GLN A 32 -3.507 -4.572 12.567 1.00 1.67 H new ATOM 0 HA GLN A 32 -5.196 -5.795 10.635 1.00 1.66 H new ATOM 0 HB2 GLN A 32 -5.675 -4.043 13.063 1.00 1.78 H new ATOM 0 HB3 GLN A 32 -6.968 -4.790 12.146 1.00 1.78 H new ATOM 0 HG2 GLN A 32 -4.690 -6.394 13.349 1.00 1.93 H new ATOM 0 HG3 GLN A 32 -6.156 -6.031 14.238 1.00 1.93 H new ATOM 0 HE21 GLN A 32 -4.688 -7.939 11.716 1.00 2.75 H new ATOM 0 HE22 GLN A 32 -6.081 -8.974 11.389 1.00 2.75 H new ATOM 564 N ILE A 33 -6.545 -3.927 9.473 1.00 1.56 N ATOM 565 CA ILE A 33 -6.972 -2.966 8.440 1.00 1.51 C ATOM 566 C ILE A 33 -7.205 -1.525 8.933 1.00 1.50 C ATOM 567 O ILE A 33 -6.621 -0.609 8.355 1.00 1.47 O ATOM 568 CB ILE A 33 -8.228 -3.486 7.690 1.00 1.53 C ATOM 569 CG1 ILE A 33 -8.642 -2.503 6.593 1.00 1.90 C ATOM 570 CG2 ILE A 33 -9.392 -3.745 8.644 1.00 2.04 C ATOM 571 CD1 ILE A 33 -8.592 -3.089 5.200 1.00 2.36 C ATOM 0 H ILE A 33 -7.141 -4.751 9.546 1.00 1.56 H new ATOM 0 HA ILE A 33 -6.123 -2.901 7.759 1.00 1.51 H new ATOM 0 HB ILE A 33 -7.964 -4.438 7.229 1.00 1.53 H new ATOM 0 HG12 ILE A 33 -9.655 -2.153 6.794 1.00 1.90 H new ATOM 0 HG13 ILE A 33 -7.990 -1.631 6.634 1.00 1.90 H new ATOM 0 HG21 ILE A 33 -10.251 -4.108 8.080 1.00 2.04 H new ATOM 0 HG22 ILE A 33 -9.099 -4.494 9.380 1.00 2.04 H new ATOM 0 HG23 ILE A 33 -9.657 -2.819 9.154 1.00 2.04 H new ATOM 0 HD11 ILE A 33 -8.899 -2.334 4.476 1.00 2.36 H new ATOM 0 HD12 ILE A 33 -7.575 -3.413 4.978 1.00 2.36 H new ATOM 0 HD13 ILE A 33 -9.266 -3.943 5.140 1.00 2.36 H new ATOM 583 N ASN A 34 -8.001 -1.331 9.997 1.00 1.56 N ATOM 584 CA ASN A 34 -8.291 0.013 10.553 1.00 1.58 C ATOM 585 C ASN A 34 -8.381 1.105 9.465 1.00 1.57 C ATOM 586 O ASN A 34 -7.414 1.828 9.215 1.00 1.91 O ATOM 587 CB ASN A 34 -7.223 0.372 11.590 1.00 1.60 C ATOM 588 CG ASN A 34 -7.133 -0.667 12.694 1.00 1.73 C ATOM 589 OD1 ASN A 34 -8.134 -1.278 13.070 1.00 2.14 O ATOM 590 ND2 ASN A 34 -5.931 -0.877 13.215 1.00 2.10 N ATOM 0 H ASN A 34 -8.462 -2.091 10.497 1.00 1.56 H new ATOM 0 HA ASN A 34 -9.272 -0.029 11.026 1.00 1.58 H new ATOM 0 HB2 ASN A 34 -6.255 0.463 11.097 1.00 1.60 H new ATOM 0 HB3 ASN A 34 -7.452 1.345 12.025 1.00 1.60 H new ATOM 0 HD21 ASN A 34 -5.810 -1.567 13.957 1.00 2.10 H new ATOM 0 HD22 ASN A 34 -5.128 -0.349 12.874 1.00 2.10 H new ATOM 597 N LEU A 35 -9.558 1.225 8.840 1.00 1.38 N ATOM 598 CA LEU A 35 -9.782 2.187 7.747 1.00 1.34 C ATOM 599 C LEU A 35 -9.665 3.657 8.169 1.00 1.32 C ATOM 600 O LEU A 35 -8.796 4.367 7.665 1.00 1.28 O ATOM 601 CB LEU A 35 -11.155 1.941 7.106 1.00 1.40 C ATOM 602 CG LEU A 35 -11.442 2.707 5.800 1.00 1.43 C ATOM 603 CD1 LEU A 35 -11.967 4.109 6.085 1.00 1.47 C ATOM 604 CD2 LEU A 35 -10.206 2.781 4.918 1.00 1.52 C ATOM 0 H LEU A 35 -10.378 0.664 9.073 1.00 1.38 H new ATOM 0 HA LEU A 35 -8.982 2.013 7.027 1.00 1.34 H new ATOM 0 HB2 LEU A 35 -11.254 0.874 6.906 1.00 1.40 H new ATOM 0 HB3 LEU A 35 -11.924 2.202 7.833 1.00 1.40 H new ATOM 0 HG LEU A 35 -12.213 2.152 5.265 1.00 1.43 H new ATOM 0 HD11 LEU A 35 -12.160 4.624 5.144 1.00 1.47 H new ATOM 0 HD12 LEU A 35 -12.892 4.042 6.658 1.00 1.47 H new ATOM 0 HD13 LEU A 35 -11.225 4.666 6.658 1.00 1.47 H new ATOM 0 HD21 LEU A 35 -10.443 3.328 4.005 1.00 1.52 H new ATOM 0 HD22 LEU A 35 -9.408 3.296 5.453 1.00 1.52 H new ATOM 0 HD23 LEU A 35 -9.880 1.773 4.663 1.00 1.52 H new ATOM 616 N TRP A 36 -10.558 4.117 9.056 1.00 1.37 N ATOM 617 CA TRP A 36 -10.567 5.522 9.500 1.00 1.37 C ATOM 618 C TRP A 36 -9.162 6.009 9.940 1.00 1.32 C ATOM 619 O TRP A 36 -8.854 7.194 9.829 1.00 1.31 O ATOM 620 CB TRP A 36 -11.585 5.737 10.631 1.00 1.45 C ATOM 621 CG TRP A 36 -11.603 4.657 11.676 1.00 1.50 C ATOM 622 CD1 TRP A 36 -12.242 3.453 11.595 1.00 1.55 C ATOM 623 CD2 TRP A 36 -10.980 4.696 12.967 1.00 1.53 C ATOM 624 NE1 TRP A 36 -12.042 2.734 12.748 1.00 1.61 N ATOM 625 CE2 TRP A 36 -11.273 3.475 13.606 1.00 1.60 C ATOM 626 CE3 TRP A 36 -10.197 5.637 13.643 1.00 1.54 C ATOM 627 CZ2 TRP A 36 -10.815 3.176 14.887 1.00 1.66 C ATOM 628 CZ3 TRP A 36 -9.744 5.338 14.915 1.00 1.61 C ATOM 629 CH2 TRP A 36 -10.053 4.115 15.525 1.00 1.66 C ATOM 0 H TRP A 36 -11.283 3.539 9.481 1.00 1.37 H new ATOM 0 HA TRP A 36 -10.866 6.120 8.639 1.00 1.37 H new ATOM 0 HB2 TRP A 36 -11.372 6.689 11.116 1.00 1.45 H new ATOM 0 HB3 TRP A 36 -12.581 5.817 10.194 1.00 1.45 H new ATOM 0 HD1 TRP A 36 -12.820 3.115 10.748 1.00 1.55 H new ATOM 0 HE1 TRP A 36 -12.407 1.800 12.935 1.00 1.61 H new ATOM 0 HE3 TRP A 36 -9.950 6.581 13.180 1.00 1.54 H new ATOM 0 HZ2 TRP A 36 -11.054 2.235 15.360 1.00 1.66 H new ATOM 0 HZ3 TRP A 36 -9.142 6.059 15.447 1.00 1.61 H new ATOM 0 HH2 TRP A 36 -9.682 3.910 16.518 1.00 1.66 H new ATOM 640 N THR A 37 -8.325 5.081 10.428 1.00 1.32 N ATOM 641 CA THR A 37 -6.951 5.381 10.877 1.00 1.29 C ATOM 642 C THR A 37 -5.992 5.630 9.709 1.00 1.23 C ATOM 643 O THR A 37 -5.316 6.655 9.707 1.00 1.21 O ATOM 644 CB THR A 37 -6.392 4.263 11.773 1.00 1.34 C ATOM 645 OG1 THR A 37 -7.204 4.109 12.916 1.00 1.41 O ATOM 646 CG2 THR A 37 -4.985 4.556 12.299 1.00 1.35 C ATOM 0 H THR A 37 -8.580 4.098 10.524 1.00 1.32 H new ATOM 0 HA THR A 37 -7.022 6.301 11.457 1.00 1.29 H new ATOM 0 HB THR A 37 -6.370 3.373 11.144 1.00 1.34 H new ATOM 0 HG1 THR A 37 -7.971 4.715 12.856 1.00 1.41 H new ATOM 0 HG21 THR A 37 -4.650 3.728 12.924 1.00 1.35 H new ATOM 0 HG22 THR A 37 -4.300 4.677 11.459 1.00 1.35 H new ATOM 0 HG23 THR A 37 -5.001 5.472 12.889 1.00 1.35 H new ATOM 654 N MET A 38 -5.942 4.763 8.686 1.00 1.20 N ATOM 655 CA MET A 38 -5.118 5.052 7.491 1.00 1.15 C ATOM 656 C MET A 38 -5.603 6.306 6.739 1.00 1.13 C ATOM 657 O MET A 38 -4.793 7.031 6.165 1.00 1.11 O ATOM 658 CB MET A 38 -4.984 3.846 6.544 1.00 1.14 C ATOM 659 CG MET A 38 -6.302 3.307 5.984 1.00 1.17 C ATOM 660 SD MET A 38 -6.141 2.426 4.407 1.00 1.17 S ATOM 661 CE MET A 38 -6.871 0.817 4.812 1.00 1.25 C ATOM 0 H MET A 38 -6.446 3.877 8.655 1.00 1.20 H new ATOM 0 HA MET A 38 -4.117 5.262 7.869 1.00 1.15 H new ATOM 0 HB2 MET A 38 -4.342 4.129 5.710 1.00 1.14 H new ATOM 0 HB3 MET A 38 -4.478 3.041 7.077 1.00 1.14 H new ATOM 0 HG2 MET A 38 -6.747 2.635 6.718 1.00 1.17 H new ATOM 0 HG3 MET A 38 -6.994 4.139 5.853 1.00 1.17 H new ATOM 0 HE1 MET A 38 -7.035 0.251 3.895 1.00 1.25 H new ATOM 0 HE2 MET A 38 -6.194 0.264 5.464 1.00 1.25 H new ATOM 0 HE3 MET A 38 -7.823 0.967 5.321 1.00 1.25 H new ATOM 671 N PHE A 39 -6.908 6.593 6.805 1.00 1.17 N ATOM 672 CA PHE A 39 -7.468 7.838 6.287 1.00 1.19 C ATOM 673 C PHE A 39 -6.947 9.064 7.036 1.00 1.20 C ATOM 674 O PHE A 39 -6.291 9.902 6.419 1.00 1.20 O ATOM 675 CB PHE A 39 -8.997 7.795 6.294 1.00 1.25 C ATOM 676 CG PHE A 39 -9.613 9.092 5.797 1.00 1.30 C ATOM 677 CD1 PHE A 39 -9.431 9.485 4.457 1.00 1.30 C ATOM 678 CD2 PHE A 39 -10.323 9.928 6.681 1.00 1.36 C ATOM 679 CE1 PHE A 39 -9.970 10.697 3.994 1.00 1.37 C ATOM 680 CE2 PHE A 39 -10.849 11.149 6.221 1.00 1.43 C ATOM 681 CZ PHE A 39 -10.670 11.535 4.881 1.00 1.44 C ATOM 0 H PHE A 39 -7.600 5.968 7.218 1.00 1.17 H new ATOM 0 HA PHE A 39 -7.133 7.934 5.254 1.00 1.19 H new ATOM 0 HB2 PHE A 39 -9.338 6.970 5.668 1.00 1.25 H new ATOM 0 HB3 PHE A 39 -9.348 7.593 7.306 1.00 1.25 H new ATOM 0 HD1 PHE A 39 -8.874 8.852 3.782 1.00 1.30 H new ATOM 0 HD2 PHE A 39 -10.463 9.632 7.710 1.00 1.36 H new ATOM 0 HE1 PHE A 39 -9.847 10.984 2.960 1.00 1.37 H new ATOM 0 HE2 PHE A 39 -11.392 11.791 6.899 1.00 1.43 H new ATOM 0 HZ PHE A 39 -11.070 12.476 4.532 1.00 1.44 H new ATOM 691 N GLN A 40 -7.168 9.183 8.354 1.00 1.24 N ATOM 692 CA GLN A 40 -6.668 10.363 9.083 1.00 1.27 C ATOM 693 C GLN A 40 -5.129 10.471 9.061 1.00 1.25 C ATOM 694 O GLN A 40 -4.597 11.582 9.058 1.00 1.28 O ATOM 695 CB GLN A 40 -7.253 10.413 10.505 1.00 1.33 C ATOM 696 CG GLN A 40 -6.641 9.372 11.452 1.00 1.33 C ATOM 697 CD GLN A 40 -7.491 9.148 12.696 1.00 1.39 C ATOM 698 OE1 GLN A 40 -7.223 9.654 13.777 1.00 1.44 O ATOM 699 NE2 GLN A 40 -8.538 8.362 12.585 1.00 1.40 N ATOM 0 H GLN A 40 -7.672 8.503 8.923 1.00 1.24 H new ATOM 0 HA GLN A 40 -7.021 11.249 8.555 1.00 1.27 H new ATOM 0 HB2 GLN A 40 -7.095 11.408 10.920 1.00 1.33 H new ATOM 0 HB3 GLN A 40 -8.330 10.257 10.452 1.00 1.33 H new ATOM 0 HG2 GLN A 40 -6.522 8.427 10.921 1.00 1.33 H new ATOM 0 HG3 GLN A 40 -5.644 9.697 11.750 1.00 1.33 H new ATOM 0 HE21 GLN A 40 -8.765 7.938 11.685 1.00 1.40 H new ATOM 0 HE22 GLN A 40 -9.124 8.176 13.399 1.00 1.40 H new ATOM 708 N ALA A 41 -4.411 9.346 8.958 1.00 1.21 N ATOM 709 CA ALA A 41 -2.973 9.331 8.704 1.00 1.20 C ATOM 710 C ALA A 41 -2.630 9.943 7.336 1.00 1.18 C ATOM 711 O ALA A 41 -1.851 10.893 7.275 1.00 1.21 O ATOM 712 CB ALA A 41 -2.453 7.896 8.827 1.00 1.18 C ATOM 0 H ALA A 41 -4.819 8.416 9.050 1.00 1.21 H new ATOM 0 HA ALA A 41 -2.477 9.952 9.450 1.00 1.20 H new ATOM 0 HB1 ALA A 41 -1.380 7.881 8.638 1.00 1.18 H new ATOM 0 HB2 ALA A 41 -2.650 7.523 9.832 1.00 1.18 H new ATOM 0 HB3 ALA A 41 -2.959 7.262 8.099 1.00 1.18 H new ATOM 718 N ALA A 42 -3.256 9.486 6.248 1.00 1.14 N ATOM 719 CA ALA A 42 -3.078 10.077 4.920 1.00 1.14 C ATOM 720 C ALA A 42 -3.425 11.573 4.890 1.00 1.20 C ATOM 721 O ALA A 42 -2.709 12.349 4.269 1.00 1.23 O ATOM 722 CB ALA A 42 -3.905 9.290 3.897 1.00 1.11 C ATOM 0 H ALA A 42 -3.901 8.696 6.264 1.00 1.14 H new ATOM 0 HA ALA A 42 -2.022 10.009 4.658 1.00 1.14 H new ATOM 0 HB1 ALA A 42 -3.774 9.729 2.908 1.00 1.11 H new ATOM 0 HB2 ALA A 42 -3.572 8.252 3.881 1.00 1.11 H new ATOM 0 HB3 ALA A 42 -4.959 9.329 4.174 1.00 1.11 H new ATOM 728 N GLN A 43 -4.468 11.997 5.613 1.00 1.23 N ATOM 729 CA GLN A 43 -4.867 13.408 5.672 1.00 1.31 C ATOM 730 C GLN A 43 -3.850 14.278 6.441 1.00 1.35 C ATOM 731 O GLN A 43 -3.730 15.471 6.161 1.00 1.42 O ATOM 732 CB GLN A 43 -6.282 13.551 6.260 1.00 1.35 C ATOM 733 CG GLN A 43 -7.389 12.939 5.376 1.00 1.35 C ATOM 734 CD GLN A 43 -7.428 13.493 3.951 1.00 1.38 C ATOM 735 OE1 GLN A 43 -7.404 14.693 3.712 1.00 1.45 O ATOM 736 NE2 GLN A 43 -7.471 12.645 2.943 1.00 1.35 N ATOM 0 H GLN A 43 -5.056 11.377 6.170 1.00 1.23 H new ATOM 0 HA GLN A 43 -4.881 13.780 4.647 1.00 1.31 H new ATOM 0 HB2 GLN A 43 -6.308 13.075 7.240 1.00 1.35 H new ATOM 0 HB3 GLN A 43 -6.496 14.609 6.414 1.00 1.35 H new ATOM 0 HG2 GLN A 43 -7.247 11.859 5.331 1.00 1.35 H new ATOM 0 HG3 GLN A 43 -8.355 13.114 5.849 1.00 1.35 H new ATOM 0 HE21 GLN A 43 -7.492 11.641 3.122 1.00 1.35 H new ATOM 0 HE22 GLN A 43 -7.484 12.993 1.984 1.00 1.35 H new ATOM 745 N LYS A 44 -3.067 13.667 7.343 1.00 1.33 N ATOM 746 CA LYS A 44 -1.939 14.348 8.000 1.00 1.39 C ATOM 747 C LYS A 44 -0.721 14.399 7.077 1.00 1.39 C ATOM 748 O LYS A 44 -0.136 15.465 6.883 1.00 1.45 O ATOM 749 CB LYS A 44 -1.635 13.630 9.326 1.00 1.39 C ATOM 750 CG LYS A 44 -0.646 14.412 10.201 1.00 1.47 C ATOM 751 CD LYS A 44 -0.245 13.647 11.471 1.00 1.49 C ATOM 752 CE LYS A 44 -1.456 13.239 12.322 1.00 1.49 C ATOM 753 NZ LYS A 44 -1.025 12.653 13.615 1.00 1.53 N ATOM 0 H LYS A 44 -3.195 12.698 7.636 1.00 1.33 H new ATOM 0 HA LYS A 44 -2.203 15.383 8.217 1.00 1.39 H new ATOM 0 HB2 LYS A 44 -2.564 13.481 9.877 1.00 1.39 H new ATOM 0 HB3 LYS A 44 -1.227 12.641 9.116 1.00 1.39 H new ATOM 0 HG2 LYS A 44 0.248 14.637 9.620 1.00 1.47 H new ATOM 0 HG3 LYS A 44 -1.092 15.366 10.482 1.00 1.47 H new ATOM 0 HD2 LYS A 44 0.315 12.755 11.191 1.00 1.49 H new ATOM 0 HD3 LYS A 44 0.422 14.268 12.069 1.00 1.49 H new ATOM 0 HE2 LYS A 44 -2.086 14.110 12.505 1.00 1.49 H new ATOM 0 HE3 LYS A 44 -2.062 12.516 11.775 1.00 1.49 H new ATOM 0 HZ1 LYS A 44 -1.862 12.386 14.171 1.00 1.53 H new ATOM 0 HZ2 LYS A 44 -0.444 11.809 13.437 1.00 1.53 H new ATOM 0 HZ3 LYS A 44 -0.467 13.353 14.144 1.00 1.53 H new ATOM 767 N LEU A 45 -0.407 13.264 6.448 1.00 1.32 N ATOM 768 CA LEU A 45 0.642 13.184 5.423 1.00 1.32 C ATOM 769 C LEU A 45 0.260 13.838 4.054 1.00 1.34 C ATOM 770 O LEU A 45 0.983 13.651 3.073 1.00 1.34 O ATOM 771 CB LEU A 45 1.150 11.713 5.323 1.00 1.27 C ATOM 772 CG LEU A 45 2.016 11.120 6.476 1.00 1.30 C ATOM 773 CD1 LEU A 45 3.117 12.083 6.930 1.00 1.39 C ATOM 774 CD2 LEU A 45 1.230 10.698 7.716 1.00 1.29 C ATOM 0 H LEU A 45 -0.871 12.375 6.633 1.00 1.32 H new ATOM 0 HA LEU A 45 1.478 13.806 5.742 1.00 1.32 H new ATOM 0 HB2 LEU A 45 0.275 11.072 5.209 1.00 1.27 H new ATOM 0 HB3 LEU A 45 1.729 11.629 4.403 1.00 1.27 H new ATOM 0 HG LEU A 45 2.445 10.225 6.026 1.00 1.30 H new ATOM 0 HD11 LEU A 45 3.692 11.625 7.734 1.00 1.39 H new ATOM 0 HD12 LEU A 45 3.777 12.303 6.091 1.00 1.39 H new ATOM 0 HD13 LEU A 45 2.666 13.008 7.289 1.00 1.39 H new ATOM 0 HD21 LEU A 45 1.916 10.298 8.463 1.00 1.29 H new ATOM 0 HD22 LEU A 45 0.709 11.562 8.128 1.00 1.29 H new ATOM 0 HD23 LEU A 45 0.504 9.932 7.443 1.00 1.29 H new ATOM 786 N GLY A 46 -0.829 14.629 3.983 1.00 1.36 N ATOM 787 CA GLY A 46 -1.091 15.497 2.803 1.00 1.42 C ATOM 788 C GLY A 46 -2.167 15.030 1.800 1.00 1.40 C ATOM 789 O GLY A 46 -2.141 15.400 0.623 1.00 1.44 O ATOM 0 H GLY A 46 -1.537 14.690 4.715 1.00 1.36 H new ATOM 0 HA2 GLY A 46 -1.377 16.484 3.168 1.00 1.42 H new ATOM 0 HA3 GLY A 46 -0.154 15.617 2.259 1.00 1.42 H new ATOM 793 N GLY A 47 -3.099 14.216 2.292 1.00 1.34 N ATOM 794 CA GLY A 47 -4.070 13.502 1.466 1.00 1.32 C ATOM 795 C GLY A 47 -3.436 12.539 0.459 1.00 1.28 C ATOM 796 O GLY A 47 -2.219 12.514 0.248 1.00 1.27 O ATOM 0 H GLY A 47 -3.202 14.031 3.290 1.00 1.34 H new ATOM 0 HA2 GLY A 47 -4.743 12.942 2.115 1.00 1.32 H new ATOM 0 HA3 GLY A 47 -4.678 14.228 0.927 1.00 1.32 H new ATOM 800 N TYR A 48 -4.290 11.770 -0.222 1.00 1.27 N ATOM 801 CA TYR A 48 -3.863 10.935 -1.354 1.00 1.26 C ATOM 802 C TYR A 48 -3.089 11.710 -2.442 1.00 1.32 C ATOM 803 O TYR A 48 -2.318 11.118 -3.199 1.00 1.31 O ATOM 804 CB TYR A 48 -5.093 10.236 -1.943 1.00 1.28 C ATOM 805 CG TYR A 48 -4.772 9.069 -2.862 1.00 1.26 C ATOM 806 CD1 TYR A 48 -4.456 7.813 -2.311 1.00 1.20 C ATOM 807 CD2 TYR A 48 -4.800 9.236 -4.260 1.00 1.33 C ATOM 808 CE1 TYR A 48 -4.202 6.713 -3.152 1.00 1.21 C ATOM 809 CE2 TYR A 48 -4.528 8.142 -5.104 1.00 1.33 C ATOM 810 CZ TYR A 48 -4.240 6.877 -4.552 1.00 1.27 C ATOM 811 OH TYR A 48 -4.006 5.822 -5.378 1.00 1.29 O ATOM 0 H TYR A 48 -5.286 11.707 -0.010 1.00 1.27 H new ATOM 0 HA TYR A 48 -3.154 10.200 -0.972 1.00 1.26 H new ATOM 0 HB2 TYR A 48 -5.718 9.877 -1.125 1.00 1.28 H new ATOM 0 HB3 TYR A 48 -5.681 10.968 -2.497 1.00 1.28 H new ATOM 0 HD1 TYR A 48 -4.408 7.693 -1.239 1.00 1.20 H new ATOM 0 HD2 TYR A 48 -5.030 10.202 -4.684 1.00 1.33 H new ATOM 0 HE1 TYR A 48 -3.979 5.746 -2.726 1.00 1.21 H new ATOM 0 HE2 TYR A 48 -4.540 8.272 -6.176 1.00 1.33 H new ATOM 0 HH TYR A 48 -4.074 6.115 -6.311 1.00 1.29 H new ATOM 821 N GLU A 49 -3.247 13.037 -2.519 1.00 1.39 N ATOM 822 CA GLU A 49 -2.604 13.840 -3.571 1.00 1.47 C ATOM 823 C GLU A 49 -1.115 14.085 -3.304 1.00 1.46 C ATOM 824 O GLU A 49 -0.292 13.828 -4.186 1.00 1.48 O ATOM 825 CB GLU A 49 -3.354 15.167 -3.743 1.00 1.57 C ATOM 826 CG GLU A 49 -4.677 14.939 -4.487 1.00 1.61 C ATOM 827 CD GLU A 49 -5.554 16.198 -4.473 1.00 1.71 C ATOM 828 OE1 GLU A 49 -5.237 17.188 -5.177 1.00 1.80 O ATOM 829 OE2 GLU A 49 -6.589 16.183 -3.764 1.00 1.72 O ATOM 0 H GLU A 49 -3.814 13.579 -1.867 1.00 1.39 H new ATOM 0 HA GLU A 49 -2.658 13.269 -4.498 1.00 1.47 H new ATOM 0 HB2 GLU A 49 -3.550 15.611 -2.767 1.00 1.57 H new ATOM 0 HB3 GLU A 49 -2.735 15.873 -4.296 1.00 1.57 H new ATOM 0 HG2 GLU A 49 -4.471 14.649 -5.517 1.00 1.61 H new ATOM 0 HG3 GLU A 49 -5.218 14.113 -4.025 1.00 1.61 H new ATOM 836 N THR A 50 -0.732 14.491 -2.084 1.00 1.44 N ATOM 837 CA THR A 50 0.686 14.534 -1.687 1.00 1.45 C ATOM 838 C THR A 50 1.276 13.127 -1.674 1.00 1.37 C ATOM 839 O THR A 50 2.408 12.927 -2.112 1.00 1.40 O ATOM 840 CB THR A 50 0.899 15.199 -0.319 1.00 1.46 C ATOM 841 OG1 THR A 50 0.347 16.499 -0.322 1.00 1.54 O ATOM 842 CG2 THR A 50 2.377 15.363 0.043 1.00 1.50 C ATOM 0 H THR A 50 -1.380 14.793 -1.357 1.00 1.44 H new ATOM 0 HA THR A 50 1.201 15.145 -2.429 1.00 1.45 H new ATOM 0 HB THR A 50 0.417 14.542 0.406 1.00 1.46 H new ATOM 0 HG1 THR A 50 -0.580 16.462 -0.006 1.00 1.54 H new ATOM 0 HG21 THR A 50 2.462 15.839 1.020 1.00 1.50 H new ATOM 0 HG22 THR A 50 2.855 14.384 0.073 1.00 1.50 H new ATOM 0 HG23 THR A 50 2.868 15.984 -0.706 1.00 1.50 H new ATOM 850 N ILE A 51 0.488 12.129 -1.256 1.00 1.30 N ATOM 851 CA ILE A 51 0.892 10.718 -1.327 1.00 1.24 C ATOM 852 C ILE A 51 1.276 10.294 -2.754 1.00 1.27 C ATOM 853 O ILE A 51 2.316 9.668 -2.942 1.00 1.27 O ATOM 854 CB ILE A 51 -0.220 9.845 -0.685 1.00 1.18 C ATOM 855 CG1 ILE A 51 0.147 9.423 0.749 1.00 1.14 C ATOM 856 CG2 ILE A 51 -0.594 8.596 -1.492 1.00 1.15 C ATOM 857 CD1 ILE A 51 0.089 10.588 1.750 1.00 1.17 C ATOM 0 H ILE A 51 -0.441 12.274 -0.862 1.00 1.30 H new ATOM 0 HA ILE A 51 1.806 10.567 -0.752 1.00 1.24 H new ATOM 0 HB ILE A 51 -1.096 10.494 -0.675 1.00 1.18 H new ATOM 0 HG12 ILE A 51 -0.533 8.636 1.076 1.00 1.14 H new ATOM 0 HG13 ILE A 51 1.151 8.998 0.751 1.00 1.14 H new ATOM 0 HG21 ILE A 51 -1.377 8.046 -0.970 1.00 1.15 H new ATOM 0 HG22 ILE A 51 -0.954 8.893 -2.477 1.00 1.15 H new ATOM 0 HG23 ILE A 51 0.283 7.959 -1.604 1.00 1.15 H new ATOM 0 HD11 ILE A 51 0.358 10.228 2.743 1.00 1.17 H new ATOM 0 HD12 ILE A 51 0.789 11.366 1.444 1.00 1.17 H new ATOM 0 HD13 ILE A 51 -0.921 10.998 1.773 1.00 1.17 H new ATOM 869 N THR A 52 0.482 10.664 -3.757 1.00 1.30 N ATOM 870 CA THR A 52 0.774 10.313 -5.161 1.00 1.35 C ATOM 871 C THR A 52 1.931 11.133 -5.728 1.00 1.42 C ATOM 872 O THR A 52 2.763 10.590 -6.457 1.00 1.45 O ATOM 873 CB THR A 52 -0.488 10.474 -6.022 1.00 1.39 C ATOM 874 OG1 THR A 52 -1.466 9.582 -5.531 1.00 1.34 O ATOM 875 CG2 THR A 52 -0.280 10.101 -7.490 1.00 1.45 C ATOM 0 H THR A 52 -0.372 11.208 -3.632 1.00 1.30 H new ATOM 0 HA THR A 52 1.085 9.269 -5.184 1.00 1.35 H new ATOM 0 HB THR A 52 -0.772 11.525 -5.966 1.00 1.39 H new ATOM 0 HG1 THR A 52 -1.869 9.953 -4.718 1.00 1.34 H new ATOM 0 HG21 THR A 52 -1.213 10.239 -8.036 1.00 1.45 H new ATOM 0 HG22 THR A 52 0.491 10.739 -7.922 1.00 1.45 H new ATOM 0 HG23 THR A 52 0.030 9.058 -7.560 1.00 1.45 H new ATOM 883 N ALA A 53 2.040 12.406 -5.339 1.00 1.47 N ATOM 884 CA ALA A 53 3.161 13.255 -5.737 1.00 1.55 C ATOM 885 C ALA A 53 4.512 12.855 -5.099 1.00 1.54 C ATOM 886 O ALA A 53 5.557 13.203 -5.661 1.00 1.61 O ATOM 887 CB ALA A 53 2.800 14.705 -5.388 1.00 1.61 C ATOM 0 H ALA A 53 1.357 12.873 -4.743 1.00 1.47 H new ATOM 0 HA ALA A 53 3.312 13.131 -6.809 1.00 1.55 H new ATOM 0 HB1 ALA A 53 3.620 15.363 -5.674 1.00 1.61 H new ATOM 0 HB2 ALA A 53 1.897 14.995 -5.926 1.00 1.61 H new ATOM 0 HB3 ALA A 53 2.626 14.788 -4.315 1.00 1.61 H new ATOM 893 N ARG A 54 4.508 12.143 -3.954 1.00 1.47 N ATOM 894 CA ARG A 54 5.749 11.928 -3.165 1.00 1.49 C ATOM 895 C ARG A 54 6.030 10.486 -2.712 1.00 1.44 C ATOM 896 O ARG A 54 7.107 10.239 -2.171 1.00 1.48 O ATOM 897 CB ARG A 54 5.713 12.842 -1.920 1.00 1.51 C ATOM 898 CG ARG A 54 5.634 14.357 -2.187 1.00 1.59 C ATOM 899 CD ARG A 54 6.865 14.934 -2.907 1.00 1.68 C ATOM 900 NE ARG A 54 8.117 14.727 -2.148 1.00 1.72 N ATOM 901 CZ ARG A 54 8.566 15.434 -1.126 1.00 1.77 C ATOM 902 NH1 ARG A 54 7.916 16.458 -0.643 1.00 1.79 N ATOM 903 NH2 ARG A 54 9.695 15.122 -0.558 1.00 1.82 N ATOM 0 H ARG A 54 3.675 11.711 -3.555 1.00 1.47 H new ATOM 0 HA ARG A 54 6.561 12.171 -3.850 1.00 1.49 H new ATOM 0 HB2 ARG A 54 4.855 12.557 -1.311 1.00 1.51 H new ATOM 0 HB3 ARG A 54 6.605 12.646 -1.326 1.00 1.51 H new ATOM 0 HG2 ARG A 54 4.747 14.564 -2.785 1.00 1.59 H new ATOM 0 HG3 ARG A 54 5.506 14.876 -1.237 1.00 1.59 H new ATOM 0 HD2 ARG A 54 6.958 14.469 -3.888 1.00 1.68 H new ATOM 0 HD3 ARG A 54 6.717 16.001 -3.073 1.00 1.68 H new ATOM 0 HE ARG A 54 8.702 13.948 -2.448 1.00 1.72 H new ATOM 0 HH11 ARG A 54 7.027 16.739 -1.056 1.00 1.79 H new ATOM 0 HH12 ARG A 54 8.298 16.977 0.148 1.00 1.79 H new ATOM 0 HH21 ARG A 54 10.237 14.329 -0.902 1.00 1.82 H new ATOM 0 HH22 ARG A 54 10.038 15.671 0.231 1.00 1.82 H new ATOM 917 N ARG A 55 5.103 9.537 -2.918 1.00 1.37 N ATOM 918 CA ARG A 55 5.128 8.170 -2.338 1.00 1.32 C ATOM 919 C ARG A 55 5.320 8.250 -0.819 1.00 1.31 C ATOM 920 O ARG A 55 6.240 7.689 -0.224 1.00 1.35 O ATOM 921 CB ARG A 55 6.119 7.252 -3.095 1.00 1.37 C ATOM 922 CG ARG A 55 6.039 7.360 -4.634 1.00 1.40 C ATOM 923 CD ARG A 55 4.648 7.083 -5.232 1.00 1.35 C ATOM 924 NE ARG A 55 4.301 8.057 -6.289 1.00 1.40 N ATOM 925 CZ ARG A 55 4.655 8.045 -7.560 1.00 1.46 C ATOM 926 NH1 ARG A 55 5.393 7.103 -8.078 1.00 1.49 N ATOM 927 NH2 ARG A 55 4.260 9.012 -8.333 1.00 1.51 N ATOM 0 H ARG A 55 4.288 9.697 -3.510 1.00 1.37 H new ATOM 0 HA ARG A 55 4.164 7.681 -2.481 1.00 1.32 H new ATOM 0 HB2 ARG A 55 7.134 7.493 -2.778 1.00 1.37 H new ATOM 0 HB3 ARG A 55 5.932 6.218 -2.805 1.00 1.37 H new ATOM 0 HG2 ARG A 55 6.353 8.361 -4.930 1.00 1.40 H new ATOM 0 HG3 ARG A 55 6.752 6.660 -5.070 1.00 1.40 H new ATOM 0 HD2 ARG A 55 4.624 6.075 -5.645 1.00 1.35 H new ATOM 0 HD3 ARG A 55 3.898 7.122 -4.442 1.00 1.35 H new ATOM 0 HE ARG A 55 3.713 8.838 -5.998 1.00 1.40 H new ATOM 0 HH11 ARG A 55 5.721 6.334 -7.495 1.00 1.49 H new ATOM 0 HH12 ARG A 55 5.642 7.136 -9.067 1.00 1.49 H new ATOM 0 HH21 ARG A 55 3.685 9.765 -7.955 1.00 1.51 H new ATOM 0 HH22 ARG A 55 4.525 9.018 -9.318 1.00 1.51 H new ATOM 941 N GLN A 56 4.396 9.007 -0.222 1.00 1.28 N ATOM 942 CA GLN A 56 4.468 9.357 1.201 1.00 1.29 C ATOM 943 C GLN A 56 3.902 8.253 2.121 1.00 1.24 C ATOM 944 O GLN A 56 3.928 8.415 3.340 1.00 1.25 O ATOM 945 CB GLN A 56 3.785 10.718 1.448 1.00 1.30 C ATOM 946 CG GLN A 56 4.499 11.597 2.493 1.00 1.37 C ATOM 947 CD GLN A 56 5.615 12.449 1.886 1.00 1.46 C ATOM 948 OE1 GLN A 56 5.370 13.455 1.234 1.00 1.49 O ATOM 949 NE2 GLN A 56 6.876 12.118 2.063 1.00 1.51 N ATOM 0 H GLN A 56 3.584 9.392 -0.705 1.00 1.28 H new ATOM 0 HA GLN A 56 5.522 9.444 1.464 1.00 1.29 H new ATOM 0 HB2 GLN A 56 3.732 11.263 0.505 1.00 1.30 H new ATOM 0 HB3 GLN A 56 2.759 10.544 1.774 1.00 1.30 H new ATOM 0 HG2 GLN A 56 3.769 12.250 2.972 1.00 1.37 H new ATOM 0 HG3 GLN A 56 4.917 10.960 3.272 1.00 1.37 H new ATOM 0 HE21 GLN A 56 7.114 11.285 2.602 1.00 1.51 H new ATOM 0 HE22 GLN A 56 7.616 12.694 1.662 1.00 1.51 H new ATOM 958 N TRP A 57 3.435 7.113 1.583 1.00 1.19 N ATOM 959 CA TRP A 57 2.986 5.955 2.377 1.00 1.17 C ATOM 960 C TRP A 57 4.034 5.459 3.376 1.00 1.24 C ATOM 961 O TRP A 57 3.669 5.041 4.471 1.00 1.24 O ATOM 962 CB TRP A 57 2.526 4.795 1.487 1.00 1.15 C ATOM 963 CG TRP A 57 1.240 5.032 0.777 1.00 1.11 C ATOM 964 CD1 TRP A 57 1.101 5.439 -0.501 1.00 1.11 C ATOM 965 CD2 TRP A 57 -0.109 4.881 1.311 1.00 1.07 C ATOM 966 NE1 TRP A 57 -0.241 5.577 -0.785 1.00 1.09 N ATOM 967 CE2 TRP A 57 -1.035 5.263 0.297 1.00 1.07 C ATOM 968 CE3 TRP A 57 -0.642 4.480 2.553 1.00 1.07 C ATOM 969 CZ2 TRP A 57 -2.420 5.275 0.514 1.00 1.06 C ATOM 970 CZ3 TRP A 57 -2.028 4.472 2.779 1.00 1.06 C ATOM 971 CH2 TRP A 57 -2.911 4.873 1.766 1.00 1.06 C ATOM 0 H TRP A 57 3.358 6.968 0.576 1.00 1.19 H new ATOM 0 HA TRP A 57 2.135 6.320 2.953 1.00 1.17 H new ATOM 0 HB2 TRP A 57 3.301 4.591 0.749 1.00 1.15 H new ATOM 0 HB3 TRP A 57 2.427 3.900 2.101 1.00 1.15 H new ATOM 0 HD1 TRP A 57 1.910 5.627 -1.191 1.00 1.11 H new ATOM 0 HE1 TRP A 57 -0.604 5.876 -1.690 1.00 1.09 H new ATOM 0 HE3 TRP A 57 0.027 4.174 3.344 1.00 1.07 H new ATOM 0 HZ2 TRP A 57 -3.097 5.588 -0.268 1.00 1.06 H new ATOM 0 HZ3 TRP A 57 -2.415 4.156 3.736 1.00 1.06 H new ATOM 0 HH2 TRP A 57 -3.975 4.873 1.950 1.00 1.06 H new ATOM 982 N LYS A 58 5.300 5.700 3.058 1.00 1.32 N ATOM 983 CA LYS A 58 6.395 5.359 3.950 1.00 1.42 C ATOM 984 C LYS A 58 6.268 6.164 5.259 1.00 1.43 C ATOM 985 O LYS A 58 6.697 5.711 6.319 1.00 1.51 O ATOM 986 CB LYS A 58 7.732 5.658 3.264 1.00 1.54 C ATOM 987 CG LYS A 58 7.840 5.087 1.854 1.00 1.98 C ATOM 988 CD LYS A 58 7.818 3.565 1.859 1.00 2.07 C ATOM 989 CE LYS A 58 8.127 2.998 0.480 1.00 2.58 C ATOM 990 NZ LYS A 58 7.957 1.518 0.436 1.00 2.89 N ATOM 0 H LYS A 58 5.592 6.133 2.182 1.00 1.32 H new ATOM 0 HA LYS A 58 6.354 4.296 4.188 1.00 1.42 H new ATOM 0 HB2 LYS A 58 7.874 6.738 3.221 1.00 1.54 H new ATOM 0 HB3 LYS A 58 8.541 5.254 3.873 1.00 1.54 H new ATOM 0 HG2 LYS A 58 7.016 5.461 1.246 1.00 1.98 H new ATOM 0 HG3 LYS A 58 8.762 5.436 1.390 1.00 1.98 H new ATOM 0 HD2 LYS A 58 8.547 3.192 2.579 1.00 2.07 H new ATOM 0 HD3 LYS A 58 6.839 3.215 2.186 1.00 2.07 H new ATOM 0 HE2 LYS A 58 7.472 3.461 -0.258 1.00 2.58 H new ATOM 0 HE3 LYS A 58 9.150 3.254 0.203 1.00 2.58 H new ATOM 0 HZ1 LYS A 58 8.177 1.172 -0.520 1.00 2.89 H new ATOM 0 HZ2 LYS A 58 8.601 1.074 1.122 1.00 2.89 H new ATOM 0 HZ3 LYS A 58 6.975 1.274 0.675 1.00 2.89 H new ATOM 1004 N HIS A 59 5.693 7.379 5.162 1.00 1.39 N ATOM 1005 CA HIS A 59 5.470 8.246 6.330 1.00 1.40 C ATOM 1006 C HIS A 59 4.257 7.778 7.151 1.00 1.32 C ATOM 1007 O HIS A 59 4.257 7.906 8.371 1.00 1.35 O ATOM 1008 CB HIS A 59 5.331 9.711 5.917 1.00 1.43 C ATOM 1009 CG HIS A 59 6.621 10.333 5.470 1.00 1.58 C ATOM 1010 ND1 HIS A 59 7.080 11.543 5.947 1.00 1.81 N ATOM 1011 CD2 HIS A 59 7.547 9.909 4.576 1.00 1.59 C ATOM 1012 CE1 HIS A 59 8.228 11.837 5.363 1.00 1.93 C ATOM 1013 NE2 HIS A 59 8.534 10.861 4.527 1.00 1.79 N ATOM 0 H HIS A 59 5.374 7.781 4.281 1.00 1.39 H new ATOM 0 HA HIS A 59 6.349 8.168 6.970 1.00 1.40 H new ATOM 0 HB2 HIS A 59 4.603 9.785 5.110 1.00 1.43 H new ATOM 0 HB3 HIS A 59 4.934 10.281 6.757 1.00 1.43 H new ATOM 0 HD2 HIS A 59 7.514 8.991 4.007 1.00 1.59 H new ATOM 0 HE1 HIS A 59 8.817 12.725 5.539 1.00 1.93 H new ATOM 0 HE2 HIS A 59 9.368 10.822 3.941 1.00 1.79 H new ATOM 1022 N ILE A 60 3.195 7.305 6.480 1.00 1.23 N ATOM 1023 CA ILE A 60 2.043 6.725 7.187 1.00 1.20 C ATOM 1024 C ILE A 60 2.563 5.526 7.974 1.00 1.27 C ATOM 1025 O ILE A 60 2.278 5.441 9.158 1.00 1.33 O ATOM 1026 CB ILE A 60 0.873 6.368 6.244 1.00 1.15 C ATOM 1027 CG1 ILE A 60 0.225 7.685 5.757 1.00 1.14 C ATOM 1028 CG2 ILE A 60 -0.162 5.472 6.955 1.00 1.18 C ATOM 1029 CD1 ILE A 60 -0.816 7.501 4.651 1.00 1.14 C ATOM 0 H ILE A 60 3.110 7.312 5.464 1.00 1.23 H new ATOM 0 HA ILE A 60 1.610 7.460 7.866 1.00 1.20 H new ATOM 0 HB ILE A 60 1.248 5.802 5.391 1.00 1.15 H new ATOM 0 HG12 ILE A 60 -0.247 8.180 6.606 1.00 1.14 H new ATOM 0 HG13 ILE A 60 1.009 8.350 5.395 1.00 1.14 H new ATOM 0 HG21 ILE A 60 -0.974 5.237 6.267 1.00 1.18 H new ATOM 0 HG22 ILE A 60 0.318 4.548 7.279 1.00 1.18 H new ATOM 0 HG23 ILE A 60 -0.562 5.996 7.823 1.00 1.18 H new ATOM 0 HD11 ILE A 60 -1.221 8.472 4.367 1.00 1.14 H new ATOM 0 HD12 ILE A 60 -0.347 7.036 3.784 1.00 1.14 H new ATOM 0 HD13 ILE A 60 -1.622 6.863 5.013 1.00 1.14 H new ATOM 1041 N TYR A 61 3.420 4.682 7.387 1.00 1.31 N ATOM 1042 CA TYR A 61 4.166 3.633 8.099 1.00 1.43 C ATOM 1043 C TYR A 61 4.954 4.180 9.313 1.00 1.53 C ATOM 1044 O TYR A 61 5.084 3.500 10.332 1.00 1.64 O ATOM 1045 CB TYR A 61 5.086 2.921 7.096 1.00 1.46 C ATOM 1046 CG TYR A 61 6.066 1.921 7.683 1.00 1.62 C ATOM 1047 CD1 TYR A 61 5.652 0.609 7.993 1.00 1.68 C ATOM 1048 CD2 TYR A 61 7.409 2.301 7.880 1.00 1.73 C ATOM 1049 CE1 TYR A 61 6.579 -0.325 8.497 1.00 1.84 C ATOM 1050 CE2 TYR A 61 8.337 1.370 8.384 1.00 1.89 C ATOM 1051 CZ TYR A 61 7.927 0.055 8.690 1.00 1.94 C ATOM 1052 OH TYR A 61 8.844 -0.835 9.159 1.00 2.11 O ATOM 0 H TYR A 61 3.619 4.708 6.387 1.00 1.31 H new ATOM 0 HA TYR A 61 3.455 2.920 8.516 1.00 1.43 H new ATOM 0 HB2 TYR A 61 4.463 2.403 6.366 1.00 1.46 H new ATOM 0 HB3 TYR A 61 5.652 3.678 6.552 1.00 1.46 H new ATOM 0 HD1 TYR A 61 4.622 0.319 7.844 1.00 1.68 H new ATOM 0 HD2 TYR A 61 7.726 3.306 7.644 1.00 1.73 H new ATOM 0 HE1 TYR A 61 6.260 -1.329 8.735 1.00 1.84 H new ATOM 0 HE2 TYR A 61 9.365 1.663 8.537 1.00 1.89 H new ATOM 0 HH TYR A 61 9.392 -1.163 8.415 1.00 2.11 H new ATOM 1062 N ASP A 62 5.405 5.435 9.210 1.00 1.52 N ATOM 1063 CA ASP A 62 6.035 6.139 10.339 1.00 1.62 C ATOM 1064 C ASP A 62 5.036 6.418 11.476 1.00 1.61 C ATOM 1065 O ASP A 62 5.280 6.028 12.619 1.00 1.72 O ATOM 1066 CB ASP A 62 6.807 7.394 9.906 1.00 1.65 C ATOM 1067 CG ASP A 62 7.716 7.895 11.039 1.00 1.79 C ATOM 1068 OD1 ASP A 62 8.795 7.296 11.262 1.00 1.92 O ATOM 1069 OD2 ASP A 62 7.364 8.898 11.707 1.00 1.79 O ATOM 0 H ASP A 62 5.346 5.988 8.355 1.00 1.52 H new ATOM 0 HA ASP A 62 6.785 5.460 10.744 1.00 1.62 H new ATOM 0 HB2 ASP A 62 7.407 7.171 9.024 1.00 1.65 H new ATOM 0 HB3 ASP A 62 6.105 8.178 9.623 1.00 1.65 H new ATOM 1074 N GLU A 63 3.875 7.003 11.163 1.00 1.50 N ATOM 1075 CA GLU A 63 2.785 7.158 12.143 1.00 1.50 C ATOM 1076 C GLU A 63 2.205 5.820 12.669 1.00 1.56 C ATOM 1077 O GLU A 63 1.879 5.725 13.854 1.00 1.66 O ATOM 1078 CB GLU A 63 1.690 8.042 11.522 1.00 1.41 C ATOM 1079 CG GLU A 63 0.508 8.349 12.455 1.00 1.44 C ATOM 1080 CD GLU A 63 0.899 9.071 13.756 1.00 1.53 C ATOM 1081 OE1 GLU A 63 1.682 10.049 13.707 1.00 1.53 O ATOM 1082 OE2 GLU A 63 0.349 8.743 14.833 1.00 1.61 O ATOM 0 H GLU A 63 3.662 7.379 10.239 1.00 1.50 H new ATOM 0 HA GLU A 63 3.205 7.636 13.028 1.00 1.50 H new ATOM 0 HB2 GLU A 63 2.139 8.983 11.204 1.00 1.41 H new ATOM 0 HB3 GLU A 63 1.310 7.551 10.626 1.00 1.41 H new ATOM 0 HG2 GLU A 63 -0.215 8.962 11.917 1.00 1.44 H new ATOM 0 HG3 GLU A 63 0.008 7.414 12.708 1.00 1.44 H new ATOM 1089 N LEU A 64 2.118 4.770 11.838 1.00 1.54 N ATOM 1090 CA LEU A 64 1.726 3.408 12.249 1.00 1.64 C ATOM 1091 C LEU A 64 2.729 2.786 13.239 1.00 1.79 C ATOM 1092 O LEU A 64 2.355 1.904 14.016 1.00 1.90 O ATOM 1093 CB LEU A 64 1.594 2.459 11.030 1.00 1.59 C ATOM 1094 CG LEU A 64 0.510 2.784 9.988 1.00 1.48 C ATOM 1095 CD1 LEU A 64 0.522 1.736 8.874 1.00 1.46 C ATOM 1096 CD2 LEU A 64 -0.896 2.858 10.588 1.00 1.53 C ATOM 0 H LEU A 64 2.322 4.843 10.841 1.00 1.54 H new ATOM 0 HA LEU A 64 0.759 3.516 12.740 1.00 1.64 H new ATOM 0 HB2 LEU A 64 2.556 2.435 10.518 1.00 1.59 H new ATOM 0 HB3 LEU A 64 1.408 1.453 11.406 1.00 1.59 H new ATOM 0 HG LEU A 64 0.750 3.771 9.591 1.00 1.48 H new ATOM 0 HD11 LEU A 64 -0.249 1.975 8.141 1.00 1.46 H new ATOM 0 HD12 LEU A 64 1.497 1.734 8.387 1.00 1.46 H new ATOM 0 HD13 LEU A 64 0.326 0.751 9.299 1.00 1.46 H new ATOM 0 HD21 LEU A 64 -1.615 3.090 9.802 1.00 1.53 H new ATOM 0 HD22 LEU A 64 -1.150 1.899 11.040 1.00 1.53 H new ATOM 0 HD23 LEU A 64 -0.926 3.637 11.350 1.00 1.53 H new ATOM 1108 N GLY A 65 4.011 2.966 12.888 1.00 1.82 N ATOM 1109 CA GLY A 65 5.126 2.446 13.669 1.00 2.01 C ATOM 1110 C GLY A 65 6.378 2.405 12.805 1.00 2.12 C ATOM 1111 O GLY A 65 6.359 1.718 11.782 1.00 1.99 O ATOM 0 H GLY A 65 4.296 3.477 12.053 1.00 1.82 H new ATOM 0 HA2 GLY A 65 5.295 3.075 14.543 1.00 2.01 H new ATOM 0 HA3 GLY A 65 4.892 1.447 14.036 1.00 2.01 H new ATOM 1115 N GLY A 66 7.471 3.066 13.167 1.00 2.43 N ATOM 1116 CA GLY A 66 8.627 2.998 12.277 1.00 2.61 C ATOM 1117 C GLY A 66 9.608 1.884 12.617 1.00 2.81 C ATOM 1118 O GLY A 66 9.894 1.621 13.784 1.00 3.02 O ATOM 0 H GLY A 66 7.584 3.622 14.014 1.00 2.43 H new ATOM 0 HA2 GLY A 66 8.277 2.860 11.254 1.00 2.61 H new ATOM 0 HA3 GLY A 66 9.153 3.952 12.308 1.00 2.61 H new ATOM 1122 N ASN A 67 10.107 1.223 11.566 1.00 2.79 N ATOM 1123 CA ASN A 67 11.092 0.145 11.700 1.00 3.02 C ATOM 1124 C ASN A 67 12.079 0.179 10.522 1.00 3.12 C ATOM 1125 O ASN A 67 11.783 -0.361 9.456 1.00 2.83 O ATOM 1126 CB ASN A 67 10.397 -1.216 11.781 1.00 2.85 C ATOM 1127 CG ASN A 67 11.081 -2.162 12.752 1.00 3.14 C ATOM 1128 OD1 ASN A 67 10.698 -2.254 13.918 1.00 3.57 O ATOM 1129 ND2 ASN A 67 12.098 -2.874 12.277 1.00 3.34 N ATOM 0 H ASN A 67 9.840 1.420 10.602 1.00 2.79 H new ATOM 0 HA ASN A 67 11.648 0.297 12.625 1.00 3.02 H new ATOM 0 HB2 ASN A 67 9.361 -1.073 12.087 1.00 2.85 H new ATOM 0 HB3 ASN A 67 10.377 -1.670 10.790 1.00 2.85 H new ATOM 0 HD21 ASN A 67 12.592 -3.526 12.886 1.00 3.34 H new ATOM 0 HD22 ASN A 67 12.384 -2.768 11.304 1.00 3.34 H new ATOM 1136 N PRO A 68 13.254 0.823 10.691 1.00 3.59 N ATOM 1137 CA PRO A 68 14.270 0.940 9.625 1.00 3.82 C ATOM 1138 C PRO A 68 14.743 -0.390 9.019 1.00 3.69 C ATOM 1139 O PRO A 68 14.951 -1.376 9.727 1.00 3.80 O ATOM 1140 CB PRO A 68 15.462 1.624 10.315 1.00 4.46 C ATOM 1141 CG PRO A 68 15.169 1.597 11.779 1.00 4.52 C ATOM 1142 CD PRO A 68 13.676 1.517 11.919 1.00 3.98 C ATOM 0 HA PRO A 68 13.841 1.483 8.783 1.00 3.82 H new ATOM 0 HB2 PRO A 68 16.392 1.100 10.095 1.00 4.46 H new ATOM 0 HB3 PRO A 68 15.581 2.648 9.961 1.00 4.46 H new ATOM 0 HG2 PRO A 68 15.649 0.741 12.254 1.00 4.52 H new ATOM 0 HG3 PRO A 68 15.556 2.491 12.268 1.00 4.52 H new ATOM 0 HD2 PRO A 68 13.385 0.965 12.813 1.00 3.98 H new ATOM 0 HD3 PRO A 68 13.226 2.507 11.996 1.00 3.98 H new ATOM 1150 N GLY A 69 14.898 -0.390 7.689 1.00 3.53 N ATOM 1151 CA GLY A 69 15.410 -1.551 6.969 1.00 3.44 C ATOM 1152 C GLY A 69 14.358 -2.519 6.450 1.00 2.86 C ATOM 1153 O GLY A 69 14.624 -3.268 5.509 1.00 2.82 O ATOM 0 H GLY A 69 14.674 0.407 7.093 1.00 3.53 H new ATOM 0 HA2 GLY A 69 16.003 -1.200 6.124 1.00 3.44 H new ATOM 0 HA3 GLY A 69 16.086 -2.096 7.628 1.00 3.44 H new ATOM 1157 N SER A 70 13.167 -2.512 7.034 1.00 2.44 N ATOM 1158 CA SER A 70 12.113 -3.424 6.599 1.00 2.00 C ATOM 1159 C SER A 70 10.881 -2.670 6.107 1.00 1.53 C ATOM 1160 O SER A 70 10.426 -1.724 6.752 1.00 1.46 O ATOM 1161 CB SER A 70 11.740 -4.374 7.741 1.00 2.18 C ATOM 1162 OG SER A 70 10.706 -5.260 7.352 1.00 2.80 O ATOM 0 H SER A 70 12.906 -1.893 7.802 1.00 2.44 H new ATOM 0 HA SER A 70 12.496 -4.004 5.760 1.00 2.00 H new ATOM 0 HB2 SER A 70 12.618 -4.945 8.044 1.00 2.18 H new ATOM 0 HB3 SER A 70 11.421 -3.797 8.609 1.00 2.18 H new ATOM 0 HG SER A 70 10.488 -5.856 8.098 1.00 2.80 H new ATOM 1168 N THR A 71 10.335 -3.095 4.968 1.00 1.44 N ATOM 1169 CA THR A 71 9.144 -2.455 4.421 1.00 1.46 C ATOM 1170 C THR A 71 8.347 -3.398 3.515 1.00 1.45 C ATOM 1171 O THR A 71 8.914 -4.207 2.773 1.00 1.87 O ATOM 1172 CB THR A 71 9.492 -1.164 3.645 1.00 1.83 C ATOM 1173 OG1 THR A 71 8.349 -0.300 3.595 1.00 2.27 O ATOM 1174 CG2 THR A 71 9.945 -1.473 2.230 1.00 2.08 C ATOM 0 H THR A 71 10.695 -3.871 4.413 1.00 1.44 H new ATOM 0 HA THR A 71 8.523 -2.193 5.277 1.00 1.46 H new ATOM 0 HB THR A 71 10.310 -0.671 4.171 1.00 1.83 H new ATOM 0 HG1 THR A 71 8.577 0.516 3.103 1.00 2.27 H new ATOM 0 HG21 THR A 71 10.182 -0.543 1.713 1.00 2.08 H new ATOM 0 HG22 THR A 71 10.831 -2.106 2.262 1.00 2.08 H new ATOM 0 HG23 THR A 71 9.148 -1.992 1.698 1.00 2.08 H new ATOM 1182 N SER A 72 7.021 -3.280 3.613 1.00 1.38 N ATOM 1183 CA SER A 72 6.079 -4.073 2.818 1.00 1.57 C ATOM 1184 C SER A 72 4.650 -3.765 3.239 1.00 1.49 C ATOM 1185 O SER A 72 3.716 -4.470 2.864 1.00 1.91 O ATOM 1186 CB SER A 72 6.326 -5.575 2.964 1.00 2.05 C ATOM 1187 OG SER A 72 5.775 -6.283 1.864 1.00 2.49 O ATOM 0 H SER A 72 6.567 -2.627 4.251 1.00 1.38 H new ATOM 0 HA SER A 72 6.233 -3.800 1.774 1.00 1.57 H new ATOM 0 HB2 SER A 72 7.397 -5.768 3.028 1.00 2.05 H new ATOM 0 HB3 SER A 72 5.882 -5.933 3.893 1.00 2.05 H new ATOM 0 HG SER A 72 5.305 -7.079 2.190 1.00 2.49 H new ATOM 1193 N ALA A 73 4.485 -2.713 4.033 1.00 1.18 N ATOM 1194 CA ALA A 73 3.169 -2.318 4.506 1.00 1.24 C ATOM 1195 C ALA A 73 2.699 -1.042 3.825 1.00 1.27 C ATOM 1196 O ALA A 73 1.508 -0.866 3.585 1.00 1.39 O ATOM 1197 CB ALA A 73 3.177 -2.154 6.017 1.00 1.32 C ATOM 0 H ALA A 73 5.248 -2.120 4.361 1.00 1.18 H new ATOM 0 HA ALA A 73 2.464 -3.108 4.247 1.00 1.24 H new ATOM 0 HB1 ALA A 73 2.184 -1.858 6.356 1.00 1.32 H new ATOM 0 HB2 ALA A 73 3.453 -3.099 6.484 1.00 1.32 H new ATOM 0 HB3 ALA A 73 3.899 -1.387 6.296 1.00 1.32 H new ATOM 1203 N ALA A 74 3.642 -0.152 3.516 1.00 1.27 N ATOM 1204 CA ALA A 74 3.320 1.105 2.845 1.00 1.40 C ATOM 1205 C ALA A 74 2.714 0.841 1.465 1.00 1.28 C ATOM 1206 O ALA A 74 1.746 1.488 1.062 1.00 1.34 O ATOM 1207 CB ALA A 74 4.572 1.964 2.716 1.00 1.61 C ATOM 0 H ALA A 74 4.633 -0.279 3.720 1.00 1.27 H new ATOM 0 HA ALA A 74 2.584 1.640 3.446 1.00 1.40 H new ATOM 0 HB1 ALA A 74 4.322 2.899 2.215 1.00 1.61 H new ATOM 0 HB2 ALA A 74 4.969 2.179 3.708 1.00 1.61 H new ATOM 0 HB3 ALA A 74 5.322 1.429 2.133 1.00 1.61 H new ATOM 1213 N THR A 75 3.290 -0.132 0.763 1.00 1.16 N ATOM 1214 CA THR A 75 2.840 -0.511 -0.573 1.00 1.15 C ATOM 1215 C THR A 75 1.496 -1.248 -0.545 1.00 1.20 C ATOM 1216 O THR A 75 0.608 -0.963 -1.349 1.00 1.25 O ATOM 1217 CB THR A 75 3.890 -1.412 -1.258 1.00 1.17 C ATOM 1218 OG1 THR A 75 5.207 -0.903 -1.011 1.00 1.24 O ATOM 1219 CG2 THR A 75 3.651 -1.492 -2.758 1.00 1.66 C ATOM 0 H THR A 75 4.081 -0.679 1.104 1.00 1.16 H new ATOM 0 HA THR A 75 2.712 0.414 -1.136 1.00 1.15 H new ATOM 0 HB THR A 75 3.798 -2.414 -0.839 1.00 1.17 H new ATOM 0 HG1 THR A 75 5.868 -1.480 -1.447 1.00 1.24 H new ATOM 0 HG21 THR A 75 4.406 -2.133 -3.213 1.00 1.66 H new ATOM 0 HG22 THR A 75 2.661 -1.907 -2.947 1.00 1.66 H new ATOM 0 HG23 THR A 75 3.715 -0.493 -3.190 1.00 1.66 H new ATOM 1227 N CYS A 76 1.357 -2.191 0.386 1.00 1.24 N ATOM 1228 CA CYS A 76 0.134 -2.989 0.511 1.00 1.36 C ATOM 1229 C CYS A 76 -1.060 -2.154 0.965 1.00 1.39 C ATOM 1230 O CYS A 76 -2.179 -2.356 0.490 1.00 1.46 O ATOM 1231 CB CYS A 76 0.356 -4.136 1.494 1.00 1.46 C ATOM 1232 SG CYS A 76 1.618 -5.318 0.972 1.00 1.61 S ATOM 0 H CYS A 76 2.079 -2.423 1.068 1.00 1.24 H new ATOM 0 HA CYS A 76 -0.094 -3.383 -0.479 1.00 1.36 H new ATOM 0 HB2 CYS A 76 0.639 -3.722 2.462 1.00 1.46 H new ATOM 0 HB3 CYS A 76 -0.586 -4.666 1.637 1.00 1.46 H new ATOM 0 HG CYS A 76 2.694 -5.146 1.682 1.00 1.61 H new ATOM 1238 N THR A 77 -0.825 -1.228 1.893 1.00 1.35 N ATOM 1239 CA THR A 77 -1.890 -0.369 2.405 1.00 1.39 C ATOM 1240 C THR A 77 -2.398 0.586 1.322 1.00 1.34 C ATOM 1241 O THR A 77 -3.567 0.978 1.329 1.00 1.38 O ATOM 1242 CB THR A 77 -1.427 0.428 3.644 1.00 1.41 C ATOM 1243 OG1 THR A 77 -1.054 -0.476 4.691 1.00 1.48 O ATOM 1244 CG2 THR A 77 -2.524 1.351 4.151 1.00 1.49 C ATOM 0 H THR A 77 0.092 -1.054 2.305 1.00 1.35 H new ATOM 0 HA THR A 77 -2.711 -1.019 2.706 1.00 1.39 H new ATOM 0 HB THR A 77 -0.571 1.035 3.349 1.00 1.41 H new ATOM 0 HG1 THR A 77 -0.138 -0.790 4.541 1.00 1.48 H new ATOM 0 HG21 THR A 77 -2.166 1.897 5.024 1.00 1.49 H new ATOM 0 HG22 THR A 77 -2.796 2.058 3.367 1.00 1.49 H new ATOM 0 HG23 THR A 77 -3.398 0.761 4.426 1.00 1.49 H new ATOM 1252 N ARG A 78 -1.518 0.954 0.387 1.00 1.27 N ATOM 1253 CA ARG A 78 -1.897 1.838 -0.716 1.00 1.25 C ATOM 1254 C ARG A 78 -2.892 1.133 -1.631 1.00 1.30 C ATOM 1255 O ARG A 78 -3.806 1.748 -2.181 1.00 1.29 O ATOM 1256 CB ARG A 78 -0.666 2.255 -1.531 1.00 1.25 C ATOM 1257 CG ARG A 78 -1.018 3.050 -2.784 1.00 1.33 C ATOM 1258 CD ARG A 78 0.214 3.575 -3.500 1.00 1.40 C ATOM 1259 NE ARG A 78 -0.143 4.487 -4.588 1.00 1.56 N ATOM 1260 CZ ARG A 78 0.404 5.691 -4.763 1.00 1.92 C ATOM 1261 NH1 ARG A 78 1.355 6.124 -3.945 1.00 2.01 N ATOM 1262 NH2 ARG A 78 0.001 6.461 -5.764 1.00 2.42 N ATOM 0 H ARG A 78 -0.543 0.655 0.372 1.00 1.27 H new ATOM 0 HA ARG A 78 -2.356 2.731 -0.292 1.00 1.25 H new ATOM 0 HB2 ARG A 78 -0.007 2.853 -0.902 1.00 1.25 H new ATOM 0 HB3 ARG A 78 -0.109 1.363 -1.819 1.00 1.25 H new ATOM 0 HG2 ARG A 78 -1.589 2.418 -3.464 1.00 1.33 H new ATOM 0 HG3 ARG A 78 -1.661 3.887 -2.512 1.00 1.33 H new ATOM 0 HD2 ARG A 78 0.857 4.092 -2.788 1.00 1.40 H new ATOM 0 HD3 ARG A 78 0.788 2.739 -3.899 1.00 1.40 H new ATOM 0 HE ARG A 78 -0.854 4.183 -5.253 1.00 1.56 H new ATOM 0 HH11 ARG A 78 1.673 5.535 -3.175 1.00 2.01 H new ATOM 0 HH12 ARG A 78 1.768 7.046 -4.086 1.00 2.01 H new ATOM 0 HH21 ARG A 78 -0.726 6.133 -6.399 1.00 2.42 H new ATOM 0 HH22 ARG A 78 0.418 7.382 -5.899 1.00 2.42 H new ATOM 1276 N ARG A 79 -2.700 -0.173 -1.766 1.00 1.37 N ATOM 1277 CA ARG A 79 -3.540 -1.014 -2.611 1.00 1.45 C ATOM 1278 C ARG A 79 -4.929 -1.268 -2.014 1.00 1.48 C ATOM 1279 O ARG A 79 -5.887 -1.488 -2.754 1.00 1.54 O ATOM 1280 CB ARG A 79 -2.835 -2.337 -2.958 1.00 1.52 C ATOM 1281 CG ARG A 79 -1.469 -2.126 -3.639 1.00 1.51 C ATOM 1282 CD ARG A 79 -0.824 -3.448 -4.072 1.00 1.59 C ATOM 1283 NE ARG A 79 -1.546 -4.077 -5.199 1.00 1.67 N ATOM 1284 CZ ARG A 79 -1.286 -5.251 -5.746 1.00 1.76 C ATOM 1285 NH1 ARG A 79 -0.320 -6.016 -5.323 1.00 1.79 N ATOM 1286 NH2 ARG A 79 -1.998 -5.685 -6.747 1.00 1.82 N ATOM 0 H ARG A 79 -1.954 -0.681 -1.291 1.00 1.37 H new ATOM 0 HA ARG A 79 -3.699 -0.457 -3.534 1.00 1.45 H new ATOM 0 HB2 ARG A 79 -2.695 -2.919 -2.047 1.00 1.52 H new ATOM 0 HB3 ARG A 79 -3.477 -2.924 -3.615 1.00 1.52 H new ATOM 0 HG2 ARG A 79 -1.595 -1.483 -4.510 1.00 1.51 H new ATOM 0 HG3 ARG A 79 -0.800 -1.605 -2.953 1.00 1.51 H new ATOM 0 HD2 ARG A 79 0.212 -3.268 -4.361 1.00 1.59 H new ATOM 0 HD3 ARG A 79 -0.804 -4.135 -3.226 1.00 1.59 H new ATOM 0 HE ARG A 79 -2.325 -3.550 -5.595 1.00 1.67 H new ATOM 0 HH11 ARG A 79 0.266 -5.714 -4.544 1.00 1.79 H new ATOM 0 HH12 ARG A 79 -0.149 -6.916 -5.771 1.00 1.79 H new ATOM 0 HH21 ARG A 79 -2.762 -5.117 -7.113 1.00 1.82 H new ATOM 0 HH22 ARG A 79 -1.791 -6.593 -7.164 1.00 1.82 H new ATOM 1300 N HIS A 80 -5.050 -1.193 -0.688 1.00 1.47 N ATOM 1301 CA HIS A 80 -6.331 -1.197 0.019 1.00 1.50 C ATOM 1302 C HIS A 80 -7.019 0.173 -0.104 1.00 1.44 C ATOM 1303 O HIS A 80 -8.160 0.238 -0.558 1.00 1.48 O ATOM 1304 CB HIS A 80 -6.106 -1.624 1.481 1.00 1.52 C ATOM 1305 CG HIS A 80 -5.410 -2.962 1.619 1.00 1.60 C ATOM 1306 ND1 HIS A 80 -4.522 -3.321 2.610 1.00 1.62 N ATOM 1307 CD2 HIS A 80 -5.537 -4.053 0.790 1.00 1.68 C ATOM 1308 CE1 HIS A 80 -4.127 -4.586 2.387 1.00 1.70 C ATOM 1309 NE2 HIS A 80 -4.716 -5.077 1.284 1.00 1.74 N ATOM 0 H HIS A 80 -4.246 -1.127 -0.064 1.00 1.47 H new ATOM 0 HA HIS A 80 -7.006 -1.922 -0.435 1.00 1.50 H new ATOM 0 HB2 HIS A 80 -5.514 -0.861 1.987 1.00 1.52 H new ATOM 0 HB3 HIS A 80 -7.069 -1.670 1.990 1.00 1.52 H new ATOM 0 HD1 HIS A 80 -4.217 -2.728 3.381 1.00 1.62 H new ATOM 0 HD2 HIS A 80 -6.161 -4.111 -0.089 1.00 1.68 H new ATOM 0 HE1 HIS A 80 -3.433 -5.132 3.008 1.00 1.70 H new ATOM 1318 N TYR A 81 -6.320 1.280 0.189 1.00 1.35 N ATOM 1319 CA TYR A 81 -6.875 2.643 0.133 1.00 1.29 C ATOM 1320 C TYR A 81 -7.467 2.994 -1.239 1.00 1.32 C ATOM 1321 O TYR A 81 -8.533 3.612 -1.309 1.00 1.34 O ATOM 1322 CB TYR A 81 -5.776 3.644 0.532 1.00 1.21 C ATOM 1323 CG TYR A 81 -6.228 5.087 0.756 1.00 1.16 C ATOM 1324 CD1 TYR A 81 -6.571 5.910 -0.338 1.00 1.16 C ATOM 1325 CD2 TYR A 81 -6.249 5.626 2.058 1.00 1.14 C ATOM 1326 CE1 TYR A 81 -6.953 7.250 -0.130 1.00 1.14 C ATOM 1327 CE2 TYR A 81 -6.559 6.985 2.261 1.00 1.12 C ATOM 1328 CZ TYR A 81 -6.929 7.803 1.170 1.00 1.12 C ATOM 1329 OH TYR A 81 -7.290 9.097 1.387 1.00 1.11 O ATOM 0 H TYR A 81 -5.341 1.255 0.475 1.00 1.35 H new ATOM 0 HA TYR A 81 -7.706 2.698 0.836 1.00 1.29 H new ATOM 0 HB2 TYR A 81 -5.303 3.287 1.447 1.00 1.21 H new ATOM 0 HB3 TYR A 81 -5.011 3.641 -0.245 1.00 1.21 H new ATOM 0 HD1 TYR A 81 -6.540 5.510 -1.341 1.00 1.16 H new ATOM 0 HD2 TYR A 81 -6.026 4.994 2.905 1.00 1.14 H new ATOM 0 HE1 TYR A 81 -7.265 7.857 -0.967 1.00 1.14 H new ATOM 0 HE2 TYR A 81 -6.514 7.404 3.255 1.00 1.12 H new ATOM 0 HH TYR A 81 -7.638 9.483 0.556 1.00 1.11 H new ATOM 1339 N GLU A 82 -6.843 2.544 -2.341 1.00 1.34 N ATOM 1340 CA GLU A 82 -7.277 2.857 -3.702 1.00 1.39 C ATOM 1341 C GLU A 82 -8.586 2.156 -4.094 1.00 1.50 C ATOM 1342 O GLU A 82 -9.133 2.429 -5.166 1.00 1.56 O ATOM 1343 CB GLU A 82 -6.152 2.633 -4.725 1.00 1.40 C ATOM 1344 CG GLU A 82 -5.870 1.170 -5.051 1.00 1.46 C ATOM 1345 CD GLU A 82 -4.955 1.041 -6.281 1.00 1.49 C ATOM 1346 OE1 GLU A 82 -5.459 1.222 -7.418 1.00 1.56 O ATOM 1347 OE2 GLU A 82 -3.748 0.735 -6.124 1.00 1.46 O ATOM 0 H GLU A 82 -6.016 1.948 -2.305 1.00 1.34 H new ATOM 0 HA GLU A 82 -7.507 3.922 -3.715 1.00 1.39 H new ATOM 0 HB2 GLU A 82 -6.409 3.154 -5.647 1.00 1.40 H new ATOM 0 HB3 GLU A 82 -5.238 3.089 -4.345 1.00 1.40 H new ATOM 0 HG2 GLU A 82 -5.401 0.687 -4.193 1.00 1.46 H new ATOM 0 HG3 GLU A 82 -6.809 0.648 -5.237 1.00 1.46 H new ATOM 1354 N ARG A 83 -9.099 1.269 -3.221 1.00 1.53 N ATOM 1355 CA ARG A 83 -10.443 0.697 -3.366 1.00 1.64 C ATOM 1356 C ARG A 83 -11.341 0.886 -2.136 1.00 1.64 C ATOM 1357 O ARG A 83 -12.531 0.591 -2.223 1.00 1.73 O ATOM 1358 CB ARG A 83 -10.355 -0.799 -3.736 1.00 1.73 C ATOM 1359 CG ARG A 83 -9.666 -1.103 -5.072 1.00 1.75 C ATOM 1360 CD ARG A 83 -10.419 -0.531 -6.285 1.00 1.81 C ATOM 1361 NE ARG A 83 -9.690 -0.810 -7.537 1.00 1.84 N ATOM 1362 CZ ARG A 83 -8.632 -0.157 -7.989 1.00 1.78 C ATOM 1363 NH1 ARG A 83 -8.220 0.959 -7.468 1.00 1.68 N ATOM 1364 NH2 ARG A 83 -7.932 -0.627 -8.981 1.00 1.82 N ATOM 0 H ARG A 83 -8.594 0.933 -2.401 1.00 1.53 H new ATOM 0 HA ARG A 83 -10.917 1.255 -4.174 1.00 1.64 H new ATOM 0 HB2 ARG A 83 -9.821 -1.322 -2.943 1.00 1.73 H new ATOM 0 HB3 ARG A 83 -11.364 -1.210 -3.765 1.00 1.73 H new ATOM 0 HG2 ARG A 83 -8.656 -0.694 -5.054 1.00 1.75 H new ATOM 0 HG3 ARG A 83 -9.571 -2.183 -5.187 1.00 1.75 H new ATOM 0 HD2 ARG A 83 -11.417 -0.966 -6.336 1.00 1.81 H new ATOM 0 HD3 ARG A 83 -10.545 0.545 -6.165 1.00 1.81 H new ATOM 0 HE ARG A 83 -10.035 -1.581 -8.109 1.00 1.84 H new ATOM 0 HH11 ARG A 83 -8.718 1.367 -6.677 1.00 1.68 H new ATOM 0 HH12 ARG A 83 -7.398 1.428 -7.850 1.00 1.68 H new ATOM 0 HH21 ARG A 83 -8.197 -1.509 -9.420 1.00 1.82 H new ATOM 0 HH22 ARG A 83 -7.118 -0.113 -9.320 1.00 1.82 H new ATOM 1378 N LEU A 84 -10.804 1.402 -1.024 1.00 1.56 N ATOM 1379 CA LEU A 84 -11.513 1.404 0.259 1.00 1.57 C ATOM 1380 C LEU A 84 -11.824 2.822 0.766 1.00 1.51 C ATOM 1381 O LEU A 84 -12.596 2.976 1.705 1.00 1.54 O ATOM 1382 CB LEU A 84 -10.634 0.598 1.231 1.00 1.56 C ATOM 1383 CG LEU A 84 -11.242 0.292 2.600 1.00 1.61 C ATOM 1384 CD1 LEU A 84 -12.522 -0.530 2.504 1.00 1.73 C ATOM 1385 CD2 LEU A 84 -10.237 -0.494 3.438 1.00 1.61 C ATOM 0 H LEU A 84 -9.877 1.825 -0.988 1.00 1.56 H new ATOM 0 HA LEU A 84 -12.497 0.946 0.159 1.00 1.57 H new ATOM 0 HB2 LEU A 84 -10.374 -0.347 0.754 1.00 1.56 H new ATOM 0 HB3 LEU A 84 -9.704 1.145 1.384 1.00 1.56 H new ATOM 0 HG LEU A 84 -11.485 1.250 3.059 1.00 1.61 H new ATOM 0 HD11 LEU A 84 -12.910 -0.718 3.505 1.00 1.73 H new ATOM 0 HD12 LEU A 84 -13.264 0.019 1.924 1.00 1.73 H new ATOM 0 HD13 LEU A 84 -12.309 -1.480 2.014 1.00 1.73 H new ATOM 0 HD21 LEU A 84 -10.669 -0.713 4.414 1.00 1.61 H new ATOM 0 HD22 LEU A 84 -9.993 -1.428 2.932 1.00 1.61 H new ATOM 0 HD23 LEU A 84 -9.330 0.097 3.567 1.00 1.61 H new ATOM 1397 N ILE A 85 -11.256 3.857 0.133 1.00 1.44 N ATOM 1398 CA ILE A 85 -11.687 5.248 0.372 1.00 1.41 C ATOM 1399 C ILE A 85 -11.340 6.210 -0.764 1.00 1.39 C ATOM 1400 O ILE A 85 -12.055 7.192 -0.921 1.00 1.42 O ATOM 1401 CB ILE A 85 -11.211 5.773 1.739 1.00 1.35 C ATOM 1402 CG1 ILE A 85 -11.916 7.108 2.077 1.00 1.35 C ATOM 1403 CG2 ILE A 85 -9.688 5.906 1.808 1.00 1.26 C ATOM 1404 CD1 ILE A 85 -11.985 7.411 3.575 1.00 1.33 C ATOM 0 H ILE A 85 -10.501 3.762 -0.546 1.00 1.44 H new ATOM 0 HA ILE A 85 -12.776 5.212 0.395 1.00 1.41 H new ATOM 0 HB ILE A 85 -11.489 5.037 2.493 1.00 1.35 H new ATOM 0 HG12 ILE A 85 -11.392 7.921 1.576 1.00 1.35 H new ATOM 0 HG13 ILE A 85 -12.928 7.085 1.674 1.00 1.35 H new ATOM 0 HG21 ILE A 85 -9.400 6.280 2.791 1.00 1.26 H new ATOM 0 HG22 ILE A 85 -9.230 4.931 1.642 1.00 1.26 H new ATOM 0 HG23 ILE A 85 -9.348 6.602 1.041 1.00 1.26 H new ATOM 0 HD11 ILE A 85 -12.493 8.363 3.731 1.00 1.33 H new ATOM 0 HD12 ILE A 85 -12.536 6.618 4.082 1.00 1.33 H new ATOM 0 HD13 ILE A 85 -10.975 7.468 3.982 1.00 1.33 H new ATOM 1416 N LEU A 86 -10.359 5.920 -1.627 1.00 1.37 N ATOM 1417 CA LEU A 86 -10.164 6.670 -2.873 1.00 1.39 C ATOM 1418 C LEU A 86 -11.471 6.852 -3.694 1.00 1.49 C ATOM 1419 O LEU A 86 -11.707 7.968 -4.168 1.00 1.52 O ATOM 1420 CB LEU A 86 -9.043 5.998 -3.682 1.00 1.37 C ATOM 1421 CG LEU A 86 -8.677 6.668 -5.018 1.00 1.41 C ATOM 1422 CD1 LEU A 86 -8.251 8.130 -4.848 1.00 1.37 C ATOM 1423 CD2 LEU A 86 -7.531 5.918 -5.689 1.00 1.40 C ATOM 0 H LEU A 86 -9.685 5.168 -1.484 1.00 1.37 H new ATOM 0 HA LEU A 86 -9.865 7.687 -2.622 1.00 1.39 H new ATOM 0 HB2 LEU A 86 -8.148 5.959 -3.061 1.00 1.37 H new ATOM 0 HB3 LEU A 86 -9.336 4.968 -3.884 1.00 1.37 H new ATOM 0 HG LEU A 86 -9.577 6.637 -5.631 1.00 1.41 H new ATOM 0 HD11 LEU A 86 -8.004 8.553 -5.822 1.00 1.37 H new ATOM 0 HD12 LEU A 86 -9.068 8.698 -4.403 1.00 1.37 H new ATOM 0 HD13 LEU A 86 -7.377 8.181 -4.198 1.00 1.37 H new ATOM 0 HD21 LEU A 86 -7.282 6.403 -6.633 1.00 1.40 H new ATOM 0 HD22 LEU A 86 -6.659 5.927 -5.036 1.00 1.40 H new ATOM 0 HD23 LEU A 86 -7.832 4.888 -5.878 1.00 1.40 H new ATOM 1435 N PRO A 87 -12.372 5.845 -3.821 1.00 1.58 N ATOM 1436 CA PRO A 87 -13.682 6.046 -4.451 1.00 1.69 C ATOM 1437 C PRO A 87 -14.710 6.828 -3.605 1.00 1.71 C ATOM 1438 O PRO A 87 -15.696 7.294 -4.181 1.00 1.80 O ATOM 1439 CB PRO A 87 -14.199 4.642 -4.788 1.00 1.78 C ATOM 1440 CG PRO A 87 -13.529 3.754 -3.746 1.00 1.71 C ATOM 1441 CD PRO A 87 -12.164 4.415 -3.583 1.00 1.59 C ATOM 0 HA PRO A 87 -13.554 6.679 -5.329 1.00 1.69 H new ATOM 0 HB2 PRO A 87 -15.286 4.588 -4.722 1.00 1.78 H new ATOM 0 HB3 PRO A 87 -13.927 4.347 -5.801 1.00 1.78 H new ATOM 0 HG2 PRO A 87 -14.086 3.735 -2.809 1.00 1.71 H new ATOM 0 HG3 PRO A 87 -13.443 2.722 -4.086 1.00 1.71 H new ATOM 0 HD2 PRO A 87 -11.764 4.241 -2.584 1.00 1.59 H new ATOM 0 HD3 PRO A 87 -11.445 4.003 -4.291 1.00 1.59 H new ATOM 1449 N TYR A 88 -14.518 7.000 -2.284 1.00 1.63 N ATOM 1450 CA TYR A 88 -15.500 7.682 -1.418 1.00 1.66 C ATOM 1451 C TYR A 88 -15.067 9.084 -0.950 1.00 1.59 C ATOM 1452 O TYR A 88 -15.919 9.964 -0.863 1.00 1.64 O ATOM 1453 CB TYR A 88 -15.954 6.757 -0.272 1.00 1.68 C ATOM 1454 CG TYR A 88 -17.344 6.150 -0.461 1.00 1.80 C ATOM 1455 CD1 TYR A 88 -17.768 5.675 -1.723 1.00 1.89 C ATOM 1456 CD2 TYR A 88 -18.226 6.063 0.634 1.00 1.84 C ATOM 1457 CE1 TYR A 88 -19.055 5.126 -1.884 1.00 2.01 C ATOM 1458 CE2 TYR A 88 -19.518 5.523 0.477 1.00 1.97 C ATOM 1459 CZ TYR A 88 -19.936 5.049 -0.784 1.00 2.05 C ATOM 1460 OH TYR A 88 -21.179 4.518 -0.948 1.00 2.17 O ATOM 0 H TYR A 88 -13.687 6.674 -1.790 1.00 1.63 H new ATOM 0 HA TYR A 88 -16.374 7.886 -2.036 1.00 1.66 H new ATOM 0 HB2 TYR A 88 -15.230 5.949 -0.165 1.00 1.68 H new ATOM 0 HB3 TYR A 88 -15.941 7.321 0.660 1.00 1.68 H new ATOM 0 HD1 TYR A 88 -17.100 5.733 -2.570 1.00 1.89 H new ATOM 0 HD2 TYR A 88 -17.908 6.414 1.605 1.00 1.84 H new ATOM 0 HE1 TYR A 88 -19.369 4.763 -2.852 1.00 2.01 H new ATOM 0 HE2 TYR A 88 -20.188 5.472 1.322 1.00 1.97 H new ATOM 0 HH TYR A 88 -21.658 4.538 -0.094 1.00 2.17 H new ATOM 1470 N GLU A 89 -13.770 9.390 -0.798 1.00 1.50 N ATOM 1471 CA GLU A 89 -13.309 10.787 -0.614 1.00 1.46 C ATOM 1472 C GLU A 89 -13.740 11.701 -1.790 1.00 1.53 C ATOM 1473 O GLU A 89 -13.771 12.923 -1.658 1.00 1.55 O ATOM 1474 CB GLU A 89 -11.789 10.879 -0.358 1.00 1.36 C ATOM 1475 CG GLU A 89 -10.897 10.531 -1.563 1.00 1.35 C ATOM 1476 CD GLU A 89 -9.431 10.946 -1.325 1.00 1.27 C ATOM 1477 OE1 GLU A 89 -8.698 10.239 -0.593 1.00 1.21 O ATOM 1478 OE2 GLU A 89 -9.000 11.985 -1.891 1.00 1.29 O ATOM 0 H GLU A 89 -13.020 8.698 -0.798 1.00 1.50 H new ATOM 0 HA GLU A 89 -13.805 11.155 0.284 1.00 1.46 H new ATOM 0 HB2 GLU A 89 -11.553 11.892 -0.033 1.00 1.36 H new ATOM 0 HB3 GLU A 89 -11.535 10.212 0.466 1.00 1.36 H new ATOM 0 HG2 GLU A 89 -10.945 9.459 -1.754 1.00 1.35 H new ATOM 0 HG3 GLU A 89 -11.277 11.031 -2.454 1.00 1.35 H new ATOM 1485 N ARG A 90 -14.161 11.074 -2.898 1.00 1.61 N ATOM 1486 CA ARG A 90 -14.813 11.770 -4.015 1.00 1.71 C ATOM 1487 C ARG A 90 -16.000 12.655 -3.592 1.00 1.78 C ATOM 1488 O ARG A 90 -16.157 13.733 -4.166 1.00 1.83 O ATOM 1489 CB ARG A 90 -15.210 10.717 -5.068 1.00 1.78 C ATOM 1490 CG ARG A 90 -15.623 11.337 -6.409 1.00 1.89 C ATOM 1491 CD ARG A 90 -15.844 10.244 -7.461 1.00 1.97 C ATOM 1492 NE ARG A 90 -16.199 10.819 -8.772 1.00 2.08 N ATOM 1493 CZ ARG A 90 -16.262 10.177 -9.926 1.00 2.16 C ATOM 1494 NH1 ARG A 90 -16.019 8.899 -10.026 1.00 2.15 N ATOM 1495 NH2 ARG A 90 -16.574 10.813 -11.018 1.00 2.25 N ATOM 0 H ARG A 90 -14.059 10.070 -3.044 1.00 1.61 H new ATOM 0 HA ARG A 90 -14.103 12.478 -4.443 1.00 1.71 H new ATOM 0 HB2 ARG A 90 -14.372 10.039 -5.230 1.00 1.78 H new ATOM 0 HB3 ARG A 90 -16.034 10.118 -4.682 1.00 1.78 H new ATOM 0 HG2 ARG A 90 -16.537 11.918 -6.282 1.00 1.89 H new ATOM 0 HG3 ARG A 90 -14.852 12.027 -6.750 1.00 1.89 H new ATOM 0 HD2 ARG A 90 -14.940 9.644 -7.559 1.00 1.97 H new ATOM 0 HD3 ARG A 90 -16.637 9.574 -7.130 1.00 1.97 H new ATOM 0 HE ARG A 90 -16.419 11.815 -8.790 1.00 2.08 H new ATOM 0 HH11 ARG A 90 -15.770 8.361 -9.196 1.00 2.15 H new ATOM 0 HH12 ARG A 90 -16.078 8.438 -10.934 1.00 2.15 H new ATOM 0 HH21 ARG A 90 -16.772 11.813 -10.987 1.00 2.25 H new ATOM 0 HH22 ARG A 90 -16.621 10.311 -11.905 1.00 2.25 H new ATOM 1509 N PHE A 91 -16.791 12.284 -2.572 1.00 1.78 N ATOM 1510 CA PHE A 91 -17.829 13.189 -2.032 1.00 1.84 C ATOM 1511 C PHE A 91 -17.249 14.323 -1.163 1.00 1.78 C ATOM 1512 O PHE A 91 -17.809 15.419 -1.133 1.00 1.84 O ATOM 1513 CB PHE A 91 -18.960 12.425 -1.309 1.00 1.89 C ATOM 1514 CG PHE A 91 -18.639 11.767 0.028 1.00 1.82 C ATOM 1515 CD1 PHE A 91 -18.445 12.543 1.191 1.00 1.77 C ATOM 1516 CD2 PHE A 91 -18.587 10.362 0.128 1.00 1.81 C ATOM 1517 CE1 PHE A 91 -18.103 11.927 2.408 1.00 1.71 C ATOM 1518 CE2 PHE A 91 -18.234 9.750 1.341 1.00 1.76 C ATOM 1519 CZ PHE A 91 -17.960 10.533 2.470 1.00 1.70 C ATOM 0 H PHE A 91 -16.737 11.378 -2.107 1.00 1.78 H new ATOM 0 HA PHE A 91 -18.279 13.672 -2.900 1.00 1.84 H new ATOM 0 HB2 PHE A 91 -19.784 13.121 -1.149 1.00 1.89 H new ATOM 0 HB3 PHE A 91 -19.324 11.650 -1.984 1.00 1.89 H new ATOM 0 HD1 PHE A 91 -18.560 13.616 1.146 1.00 1.77 H new ATOM 0 HD2 PHE A 91 -18.820 9.753 -0.733 1.00 1.81 H new ATOM 0 HE1 PHE A 91 -17.951 12.526 3.293 1.00 1.71 H new ATOM 0 HE2 PHE A 91 -18.174 8.674 1.404 1.00 1.76 H new ATOM 0 HZ PHE A 91 -17.639 10.063 3.388 1.00 1.70 H new ATOM 1529 N ILE A 92 -16.102 14.103 -0.506 1.00 1.67 N ATOM 1530 CA ILE A 92 -15.462 15.134 0.336 1.00 1.62 C ATOM 1531 C ILE A 92 -14.802 16.194 -0.558 1.00 1.64 C ATOM 1532 O ILE A 92 -14.922 17.394 -0.323 1.00 1.69 O ATOM 1533 CB ILE A 92 -14.418 14.495 1.291 1.00 1.52 C ATOM 1534 CG1 ILE A 92 -15.043 13.350 2.125 1.00 1.51 C ATOM 1535 CG2 ILE A 92 -13.815 15.566 2.221 1.00 1.49 C ATOM 1536 CD1 ILE A 92 -14.058 12.578 3.011 1.00 1.43 C ATOM 0 H ILE A 92 -15.594 13.219 -0.539 1.00 1.67 H new ATOM 0 HA ILE A 92 -16.226 15.613 0.949 1.00 1.62 H new ATOM 0 HB ILE A 92 -13.623 14.069 0.679 1.00 1.52 H new ATOM 0 HG12 ILE A 92 -15.826 13.768 2.758 1.00 1.51 H new ATOM 0 HG13 ILE A 92 -15.524 12.647 1.445 1.00 1.51 H new ATOM 0 HG21 ILE A 92 -13.085 15.102 2.884 1.00 1.49 H new ATOM 0 HG22 ILE A 92 -13.325 16.334 1.622 1.00 1.49 H new ATOM 0 HG23 ILE A 92 -14.608 16.020 2.815 1.00 1.49 H new ATOM 0 HD11 ILE A 92 -14.592 11.798 3.554 1.00 1.43 H new ATOM 0 HD12 ILE A 92 -13.287 12.124 2.388 1.00 1.43 H new ATOM 0 HD13 ILE A 92 -13.594 13.262 3.721 1.00 1.43 H new ATOM 1548 N LYS A 93 -14.153 15.733 -1.628 1.00 1.63 N ATOM 1549 CA LYS A 93 -13.340 16.585 -2.506 1.00 1.66 C ATOM 1550 C LYS A 93 -14.121 17.138 -3.707 1.00 1.78 C ATOM 1551 O LYS A 93 -13.597 17.949 -4.471 1.00 1.82 O ATOM 1552 CB LYS A 93 -12.137 15.723 -2.917 1.00 1.58 C ATOM 1553 CG LYS A 93 -10.929 16.534 -3.402 1.00 1.58 C ATOM 1554 CD LYS A 93 -9.656 15.682 -3.333 1.00 1.49 C ATOM 1555 CE LYS A 93 -9.710 14.475 -4.278 1.00 1.50 C ATOM 1556 NZ LYS A 93 -8.524 13.611 -4.095 1.00 1.41 N ATOM 0 H LYS A 93 -14.175 14.754 -1.914 1.00 1.63 H new ATOM 0 HA LYS A 93 -13.018 17.486 -1.984 1.00 1.66 H new ATOM 0 HB2 LYS A 93 -11.834 15.111 -2.068 1.00 1.58 H new ATOM 0 HB3 LYS A 93 -12.445 15.040 -3.709 1.00 1.58 H new ATOM 0 HG2 LYS A 93 -11.095 16.870 -4.425 1.00 1.58 H new ATOM 0 HG3 LYS A 93 -10.811 17.427 -2.788 1.00 1.58 H new ATOM 0 HD2 LYS A 93 -8.794 16.300 -3.586 1.00 1.49 H new ATOM 0 HD3 LYS A 93 -9.510 15.334 -2.311 1.00 1.49 H new ATOM 0 HE2 LYS A 93 -10.617 13.900 -4.089 1.00 1.50 H new ATOM 0 HE3 LYS A 93 -9.759 14.818 -5.311 1.00 1.50 H new ATOM 0 HZ1 LYS A 93 -8.474 12.921 -4.871 1.00 1.41 H new ATOM 0 HZ2 LYS A 93 -7.664 14.196 -4.097 1.00 1.41 H new ATOM 0 HZ3 LYS A 93 -8.598 13.107 -3.188 1.00 1.41 H new ATOM 1570 N GLY A 94 -15.384 16.719 -3.840 1.00 1.84 N ATOM 1571 CA GLY A 94 -16.269 17.166 -4.918 1.00 1.97 C ATOM 1572 C GLY A 94 -17.541 17.871 -4.431 1.00 2.05 C ATOM 1573 O GLY A 94 -18.151 18.597 -5.215 1.00 2.15 O ATOM 0 H GLY A 94 -15.822 16.057 -3.199 1.00 1.84 H new ATOM 0 HA2 GLY A 94 -15.717 17.844 -5.569 1.00 1.97 H new ATOM 0 HA3 GLY A 94 -16.553 16.304 -5.522 1.00 1.97 H new ATOM 1577 N GLU A 95 -17.931 17.708 -3.157 1.00 2.00 N ATOM 1578 CA GLU A 95 -19.180 18.272 -2.600 1.00 2.08 C ATOM 1579 C GLU A 95 -19.055 18.790 -1.150 1.00 2.02 C ATOM 1580 O GLU A 95 -20.051 18.922 -0.435 1.00 2.07 O ATOM 1581 CB GLU A 95 -20.341 17.257 -2.735 1.00 2.13 C ATOM 1582 CG GLU A 95 -20.647 16.811 -4.171 1.00 2.21 C ATOM 1583 CD GLU A 95 -21.907 15.928 -4.218 1.00 2.29 C ATOM 1584 OE1 GLU A 95 -23.031 16.467 -4.372 1.00 2.40 O ATOM 1585 OE2 GLU A 95 -21.785 14.681 -4.117 1.00 2.26 O ATOM 0 H GLU A 95 -17.387 17.178 -2.476 1.00 2.00 H new ATOM 0 HA GLU A 95 -19.401 19.156 -3.198 1.00 2.08 H new ATOM 0 HB2 GLU A 95 -20.104 16.375 -2.139 1.00 2.13 H new ATOM 0 HB3 GLU A 95 -21.241 17.698 -2.308 1.00 2.13 H new ATOM 0 HG2 GLU A 95 -20.788 17.686 -4.805 1.00 2.21 H new ATOM 0 HG3 GLU A 95 -19.797 16.260 -4.573 1.00 2.21 H new ATOM 1592 N GLU A 96 -17.836 19.125 -0.707 1.00 1.94 N ATOM 1593 CA GLU A 96 -17.588 19.748 0.607 1.00 1.90 C ATOM 1594 C GLU A 96 -16.332 20.646 0.666 1.00 1.87 C ATOM 1595 O GLU A 96 -16.408 21.770 1.164 1.00 1.92 O ATOM 1596 CB GLU A 96 -17.531 18.661 1.702 1.00 1.82 C ATOM 1597 CG GLU A 96 -17.563 19.258 3.114 1.00 1.81 C ATOM 1598 CD GLU A 96 -17.664 18.152 4.184 1.00 1.76 C ATOM 1599 OE1 GLU A 96 -18.799 17.761 4.554 1.00 1.81 O ATOM 1600 OE2 GLU A 96 -16.611 17.684 4.681 1.00 1.68 O ATOM 0 H GLU A 96 -16.987 18.972 -1.251 1.00 1.94 H new ATOM 0 HA GLU A 96 -18.428 20.420 0.784 1.00 1.90 H new ATOM 0 HB2 GLU A 96 -18.372 17.979 1.579 1.00 1.82 H new ATOM 0 HB3 GLU A 96 -16.622 18.072 1.579 1.00 1.82 H new ATOM 0 HG2 GLU A 96 -16.663 19.850 3.282 1.00 1.81 H new ATOM 0 HG3 GLU A 96 -18.412 19.936 3.206 1.00 1.81 H new ATOM 1607 N ASP A 97 -15.196 20.161 0.173 1.00 1.80 N ATOM 1608 CA ASP A 97 -13.963 20.947 0.212 1.00 1.78 C ATOM 1609 C ASP A 97 -13.764 21.753 -1.074 1.00 1.87 C ATOM 1610 O ASP A 97 -14.606 22.577 -1.436 1.00 2.33 O ATOM 1611 CB ASP A 97 -12.752 20.039 0.462 1.00 1.78 C ATOM 1612 CG ASP A 97 -12.778 19.388 1.832 1.00 2.14 C ATOM 1613 OD1 ASP A 97 -13.465 19.917 2.732 1.00 2.70 O ATOM 1614 OD2 ASP A 97 -12.107 18.350 2.005 1.00 2.20 O ATOM 0 H ASP A 97 -15.101 19.239 -0.254 1.00 1.80 H new ATOM 0 HA ASP A 97 -14.053 21.654 1.037 1.00 1.78 H new ATOM 0 HB2 ASP A 97 -12.721 19.263 -0.303 1.00 1.78 H new ATOM 0 HB3 ASP A 97 -11.838 20.624 0.360 1.00 1.78 H new ATOM 1619 N LYS A 98 -12.642 21.515 -1.751 1.00 1.90 N ATOM 1620 CA LYS A 98 -12.316 22.216 -2.989 1.00 2.13 C ATOM 1621 C LYS A 98 -13.176 21.709 -4.144 1.00 2.94 C ATOM 1622 O LYS A 98 -13.706 20.603 -4.088 1.00 3.42 O ATOM 1623 CB LYS A 98 -10.831 22.033 -3.325 1.00 2.05 C ATOM 1624 CG LYS A 98 -9.887 22.780 -2.392 1.00 2.30 C ATOM 1625 CD LYS A 98 -9.445 21.918 -1.216 1.00 2.83 C ATOM 1626 CE LYS A 98 -8.519 20.790 -1.650 1.00 3.09 C ATOM 1627 NZ LYS A 98 -7.240 21.301 -2.215 1.00 3.68 N ATOM 0 H LYS A 98 -11.939 20.836 -1.459 1.00 1.90 H new ATOM 0 HA LYS A 98 -12.523 23.276 -2.844 1.00 2.13 H new ATOM 0 HB2 LYS A 98 -10.590 20.970 -3.294 1.00 2.05 H new ATOM 0 HB3 LYS A 98 -10.656 22.369 -4.347 1.00 2.05 H new ATOM 0 HG2 LYS A 98 -9.010 23.108 -2.950 1.00 2.30 H new ATOM 0 HG3 LYS A 98 -10.381 23.677 -2.018 1.00 2.30 H new ATOM 0 HD2 LYS A 98 -8.936 22.542 -0.481 1.00 2.83 H new ATOM 0 HD3 LYS A 98 -10.323 21.498 -0.725 1.00 2.83 H new ATOM 0 HE2 LYS A 98 -8.306 20.147 -0.796 1.00 3.09 H new ATOM 0 HE3 LYS A 98 -9.023 20.174 -2.395 1.00 3.09 H new ATOM 0 HZ1 LYS A 98 -7.097 20.904 -3.166 1.00 3.68 H new ATOM 0 HZ2 LYS A 98 -7.277 22.339 -2.275 1.00 3.68 H new ATOM 0 HZ3 LYS A 98 -6.451 21.017 -1.600 1.00 3.68 H new ATOM 1641 N PRO A 99 -13.342 22.522 -5.205 1.00 3.57 N ATOM 1642 CA PRO A 99 -14.139 22.139 -6.374 1.00 4.60 C ATOM 1643 C PRO A 99 -13.379 21.245 -7.359 1.00 4.87 C ATOM 1644 O PRO A 99 -13.921 20.865 -8.398 1.00 5.78 O ATOM 1645 CB PRO A 99 -14.454 23.488 -7.016 1.00 5.30 C ATOM 1646 CG PRO A 99 -13.263 24.326 -6.704 1.00 4.88 C ATOM 1647 CD PRO A 99 -12.797 23.892 -5.338 1.00 3.76 C ATOM 0 HA PRO A 99 -15.013 21.550 -6.095 1.00 4.60 H new ATOM 0 HB2 PRO A 99 -14.603 23.392 -8.091 1.00 5.30 H new ATOM 0 HB3 PRO A 99 -15.365 23.922 -6.605 1.00 5.30 H new ATOM 0 HG2 PRO A 99 -12.479 24.182 -7.448 1.00 4.88 H new ATOM 0 HG3 PRO A 99 -13.519 25.386 -6.711 1.00 4.88 H new ATOM 0 HD2 PRO A 99 -11.710 23.900 -5.264 1.00 3.76 H new ATOM 0 HD3 PRO A 99 -13.175 24.552 -4.557 1.00 3.76 H new ATOM 1655 N LEU A 100 -12.129 20.912 -7.035 1.00 4.16 N ATOM 1656 CA LEU A 100 -11.318 20.066 -7.907 1.00 4.45 C ATOM 1657 C LEU A 100 -11.655 18.587 -7.715 1.00 4.49 C ATOM 1658 O LEU A 100 -11.712 18.088 -6.591 1.00 4.18 O ATOM 1659 CB LEU A 100 -9.816 20.318 -7.689 1.00 4.19 C ATOM 1660 CG LEU A 100 -9.330 20.307 -6.235 1.00 4.60 C ATOM 1661 CD1 LEU A 100 -8.750 18.948 -5.867 1.00 4.86 C ATOM 1662 CD2 LEU A 100 -8.294 21.401 -6.020 1.00 4.95 C ATOM 0 H LEU A 100 -11.660 21.213 -6.181 1.00 4.16 H new ATOM 0 HA LEU A 100 -11.557 20.333 -8.936 1.00 4.45 H new ATOM 0 HB2 LEU A 100 -9.258 19.562 -8.242 1.00 4.19 H new ATOM 0 HB3 LEU A 100 -9.564 21.284 -8.127 1.00 4.19 H new ATOM 0 HG LEU A 100 -10.185 20.498 -5.586 1.00 4.60 H new ATOM 0 HD11 LEU A 100 -8.412 18.965 -4.831 1.00 4.86 H new ATOM 0 HD12 LEU A 100 -9.516 18.181 -5.986 1.00 4.86 H new ATOM 0 HD13 LEU A 100 -7.907 18.723 -6.520 1.00 4.86 H new ATOM 0 HD21 LEU A 100 -7.956 21.384 -4.984 1.00 4.95 H new ATOM 0 HD22 LEU A 100 -7.444 21.233 -6.682 1.00 4.95 H new ATOM 0 HD23 LEU A 100 -8.739 22.372 -6.240 1.00 4.95 H new ATOM 1674 N PRO A 101 -11.895 17.875 -8.829 1.00 5.19 N ATOM 1675 CA PRO A 101 -12.235 16.447 -8.808 1.00 5.67 C ATOM 1676 C PRO A 101 -11.025 15.549 -8.529 1.00 5.64 C ATOM 1677 O PRO A 101 -9.880 15.950 -8.748 1.00 5.32 O ATOM 1678 CB PRO A 101 -12.774 16.202 -10.220 1.00 6.54 C ATOM 1679 CG PRO A 101 -12.093 17.218 -11.072 1.00 6.50 C ATOM 1680 CD PRO A 101 -11.867 18.420 -10.200 1.00 5.81 C ATOM 0 HA PRO A 101 -12.941 16.208 -8.012 1.00 5.67 H new ATOM 0 HB2 PRO A 101 -12.551 15.190 -10.558 1.00 6.54 H new ATOM 0 HB3 PRO A 101 -13.857 16.319 -10.255 1.00 6.54 H new ATOM 0 HG2 PRO A 101 -11.148 16.833 -11.455 1.00 6.50 H new ATOM 0 HG3 PRO A 101 -12.706 17.475 -11.936 1.00 6.50 H new ATOM 0 HD2 PRO A 101 -10.913 18.899 -10.420 1.00 5.81 H new ATOM 0 HD3 PRO A 101 -12.643 19.172 -10.347 1.00 5.81 H new ATOM 1688 N PRO A 102 -11.273 14.317 -8.031 1.00 6.15 N ATOM 1689 CA PRO A 102 -10.208 13.348 -7.716 1.00 6.45 C ATOM 1690 C PRO A 102 -9.562 12.715 -8.950 1.00 6.96 C ATOM 1691 O PRO A 102 -8.754 11.794 -8.825 1.00 7.31 O ATOM 1692 CB PRO A 102 -10.932 12.280 -6.898 1.00 7.14 C ATOM 1693 CG PRO A 102 -12.348 12.346 -7.351 1.00 7.42 C ATOM 1694 CD PRO A 102 -12.611 13.785 -7.708 1.00 6.66 C ATOM 0 HA PRO A 102 -9.381 13.834 -7.198 1.00 6.45 H new ATOM 0 HB2 PRO A 102 -10.507 11.292 -7.074 1.00 7.14 H new ATOM 0 HB3 PRO A 102 -10.849 12.477 -5.829 1.00 7.14 H new ATOM 0 HG2 PRO A 102 -12.512 11.696 -8.210 1.00 7.42 H new ATOM 0 HG3 PRO A 102 -13.024 12.011 -6.564 1.00 7.42 H new ATOM 0 HD2 PRO A 102 -13.291 13.869 -8.556 1.00 6.66 H new ATOM 0 HD3 PRO A 102 -13.067 14.326 -6.879 1.00 6.66 H new ATOM 1702 N ILE A 103 -9.919 13.206 -10.136 1.00 7.14 N ATOM 1703 CA ILE A 103 -9.359 12.690 -11.383 1.00 7.71 C ATOM 1704 C ILE A 103 -7.935 13.217 -11.595 1.00 7.31 C ATOM 1705 O ILE A 103 -7.165 12.667 -12.386 1.00 7.64 O ATOM 1706 CB ILE A 103 -10.252 13.061 -12.593 1.00 8.28 C ATOM 1707 CG1 ILE A 103 -9.759 12.370 -13.871 1.00 9.04 C ATOM 1708 CG2 ILE A 103 -10.300 14.571 -12.781 1.00 8.23 C ATOM 1709 CD1 ILE A 103 -10.629 12.634 -15.083 1.00 9.66 C ATOM 0 H ILE A 103 -10.594 13.961 -10.259 1.00 7.14 H new ATOM 0 HA ILE A 103 -9.323 11.603 -11.306 1.00 7.71 H new ATOM 0 HB ILE A 103 -11.263 12.709 -12.388 1.00 8.28 H new ATOM 0 HG12 ILE A 103 -8.744 12.703 -14.085 1.00 9.04 H new ATOM 0 HG13 ILE A 103 -9.711 11.295 -13.697 1.00 9.04 H new ATOM 0 HG21 ILE A 103 -10.932 14.811 -13.636 1.00 8.23 H new ATOM 0 HG22 ILE A 103 -10.710 15.036 -11.885 1.00 8.23 H new ATOM 0 HG23 ILE A 103 -9.293 14.948 -12.957 1.00 8.23 H new ATOM 0 HD11 ILE A 103 -10.217 12.113 -15.947 1.00 9.66 H new ATOM 0 HD12 ILE A 103 -11.640 12.275 -14.890 1.00 9.66 H new ATOM 0 HD13 ILE A 103 -10.657 13.705 -15.285 1.00 9.66 H new ATOM 1721 N LYS A 104 -7.590 14.278 -10.867 1.00 6.73 N ATOM 1722 CA LYS A 104 -6.264 14.878 -10.953 1.00 6.37 C ATOM 1723 C LYS A 104 -5.524 14.716 -9.621 1.00 5.89 C ATOM 1724 O LYS A 104 -5.699 15.520 -8.704 1.00 5.68 O ATOM 1725 CB LYS A 104 -6.384 16.361 -11.327 1.00 6.44 C ATOM 1726 CG LYS A 104 -5.052 17.056 -11.581 1.00 6.74 C ATOM 1727 CD LYS A 104 -4.292 16.417 -12.733 1.00 7.08 C ATOM 1728 CE LYS A 104 -3.031 17.200 -13.067 1.00 7.57 C ATOM 1729 NZ LYS A 104 -2.211 16.520 -14.108 1.00 8.00 N ATOM 0 H LYS A 104 -8.216 14.740 -10.208 1.00 6.73 H new ATOM 0 HA LYS A 104 -5.692 14.369 -11.729 1.00 6.37 H new ATOM 0 HB2 LYS A 104 -7.002 16.449 -12.221 1.00 6.44 H new ATOM 0 HB3 LYS A 104 -6.906 16.884 -10.526 1.00 6.44 H new ATOM 0 HG2 LYS A 104 -5.228 18.109 -11.801 1.00 6.74 H new ATOM 0 HG3 LYS A 104 -4.443 17.016 -10.678 1.00 6.74 H new ATOM 0 HD2 LYS A 104 -4.028 15.392 -12.473 1.00 7.08 H new ATOM 0 HD3 LYS A 104 -4.935 16.367 -13.612 1.00 7.08 H new ATOM 0 HE2 LYS A 104 -3.304 18.196 -13.414 1.00 7.57 H new ATOM 0 HE3 LYS A 104 -2.435 17.330 -12.164 1.00 7.57 H new ATOM 0 HZ1 LYS A 104 -1.362 17.087 -14.306 1.00 8.00 H new ATOM 0 HZ2 LYS A 104 -1.928 15.579 -13.767 1.00 8.00 H new ATOM 0 HZ3 LYS A 104 -2.770 16.419 -14.979 1.00 8.00 H new ATOM 1743 N PRO A 105 -4.699 13.657 -9.493 1.00 5.95 N ATOM 1744 CA PRO A 105 -3.939 13.387 -8.269 1.00 5.79 C ATOM 1745 C PRO A 105 -2.665 14.226 -8.163 1.00 5.46 C ATOM 1746 O PRO A 105 -2.095 14.367 -7.081 1.00 5.28 O ATOM 1747 CB PRO A 105 -3.598 11.905 -8.403 1.00 6.33 C ATOM 1748 CG PRO A 105 -3.471 11.687 -9.873 1.00 6.61 C ATOM 1749 CD PRO A 105 -4.453 12.629 -10.527 1.00 6.47 C ATOM 0 HA PRO A 105 -4.505 13.637 -7.372 1.00 5.79 H new ATOM 0 HB2 PRO A 105 -2.671 11.662 -7.883 1.00 6.33 H new ATOM 0 HB3 PRO A 105 -4.379 11.277 -7.974 1.00 6.33 H new ATOM 0 HG2 PRO A 105 -2.454 11.890 -10.210 1.00 6.61 H new ATOM 0 HG3 PRO A 105 -3.693 10.652 -10.133 1.00 6.61 H new ATOM 0 HD2 PRO A 105 -4.042 13.067 -11.437 1.00 6.47 H new ATOM 0 HD3 PRO A 105 -5.373 12.116 -10.808 1.00 6.47 H new ATOM 1757 N ARG A 106 -2.221 14.773 -9.293 1.00 5.56 N ATOM 1758 CA ARG A 106 -1.023 15.602 -9.322 1.00 5.43 C ATOM 1759 C ARG A 106 -1.369 17.046 -8.976 1.00 5.72 C ATOM 1760 O ARG A 106 -2.399 17.566 -9.404 1.00 6.01 O ATOM 1761 CB ARG A 106 -0.360 15.540 -10.701 1.00 5.69 C ATOM 1762 CG ARG A 106 0.161 14.160 -11.076 1.00 6.20 C ATOM 1763 CD ARG A 106 1.339 13.748 -10.208 1.00 6.57 C ATOM 1764 NE ARG A 106 1.974 12.528 -10.698 1.00 6.84 N ATOM 1765 CZ ARG A 106 3.080 12.003 -10.175 1.00 7.39 C ATOM 1766 NH1 ARG A 106 3.670 12.581 -9.137 1.00 7.71 N ATOM 1767 NH2 ARG A 106 3.595 10.897 -10.692 1.00 7.84 N ATOM 0 H ARG A 106 -2.674 14.656 -10.199 1.00 5.56 H new ATOM 0 HA ARG A 106 -0.323 15.218 -8.580 1.00 5.43 H new ATOM 0 HB2 ARG A 106 -1.080 15.862 -11.454 1.00 5.69 H new ATOM 0 HB3 ARG A 106 0.468 16.249 -10.727 1.00 5.69 H new ATOM 0 HG2 ARG A 106 -0.640 13.428 -10.973 1.00 6.20 H new ATOM 0 HG3 ARG A 106 0.462 14.157 -12.123 1.00 6.20 H new ATOM 0 HD2 ARG A 106 2.072 14.554 -10.184 1.00 6.57 H new ATOM 0 HD3 ARG A 106 0.999 13.595 -9.184 1.00 6.57 H new ATOM 0 HE ARG A 106 1.544 12.049 -11.489 1.00 6.84 H new ATOM 0 HH11 ARG A 106 3.276 13.432 -8.735 1.00 7.71 H new ATOM 0 HH12 ARG A 106 4.517 12.174 -8.740 1.00 7.71 H new ATOM 0 HH21 ARG A 106 3.144 10.449 -11.490 1.00 7.84 H new ATOM 0 HH22 ARG A 106 4.442 10.494 -10.292 1.00 7.84 H new ATOM 1781 N LYS A 107 -0.507 17.687 -8.198 1.00 5.92 N ATOM 1782 CA LYS A 107 -0.733 19.069 -7.793 1.00 6.42 C ATOM 1783 C LYS A 107 0.065 20.032 -8.668 1.00 6.87 C ATOM 1784 O LYS A 107 -0.515 20.566 -9.636 1.00 7.06 O ATOM 1785 CB LYS A 107 -0.361 19.258 -6.322 1.00 6.74 C ATOM 1786 CG LYS A 107 -1.128 18.345 -5.378 1.00 7.12 C ATOM 1787 CD LYS A 107 -0.660 18.495 -3.937 1.00 7.73 C ATOM 1788 CE LYS A 107 0.531 17.598 -3.633 1.00 8.18 C ATOM 1789 NZ LYS A 107 1.799 18.121 -4.214 1.00 8.47 N ATOM 1790 OXT LYS A 107 1.262 20.243 -8.379 1.00 7.27 O ATOM 0 H LYS A 107 0.352 17.274 -7.835 1.00 5.92 H new ATOM 0 HA LYS A 107 -1.792 19.292 -7.921 1.00 6.42 H new ATOM 0 HB2 LYS A 107 0.707 19.078 -6.200 1.00 6.74 H new ATOM 0 HB3 LYS A 107 -0.544 20.295 -6.040 1.00 6.74 H new ATOM 0 HG2 LYS A 107 -2.192 18.571 -5.439 1.00 7.12 H new ATOM 0 HG3 LYS A 107 -1.004 17.309 -5.694 1.00 7.12 H new ATOM 0 HD2 LYS A 107 -0.390 19.534 -3.749 1.00 7.73 H new ATOM 0 HD3 LYS A 107 -1.480 18.252 -3.261 1.00 7.73 H new ATOM 0 HE2 LYS A 107 0.642 17.500 -2.553 1.00 8.18 H new ATOM 0 HE3 LYS A 107 0.340 16.599 -4.025 1.00 8.18 H new ATOM 0 HZ1 LYS A 107 2.596 17.859 -3.600 1.00 8.47 H new ATOM 0 HZ2 LYS A 107 1.942 17.712 -5.160 1.00 8.47 H new ATOM 0 HZ3 LYS A 107 1.745 19.157 -4.289 1.00 8.47 H new TER 1804 LYS A 107 ATOM 1805 OP3 DT B 1 -7.999 -27.822 -8.625 1.00 2.61 O ATOM 1806 P DT B 1 -7.380 -26.369 -8.407 1.00 2.20 P ATOM 1807 OP1 DT B 1 -7.305 -26.106 -6.947 1.00 2.80 O ATOM 1808 OP2 DT B 1 -6.156 -26.254 -9.239 1.00 2.56 O ATOM 1809 O5' DT B 1 -8.497 -25.415 -9.023 1.00 2.08 O ATOM 1810 C5' DT B 1 -9.044 -25.659 -10.321 1.00 2.25 C ATOM 1811 C4' DT B 1 -9.454 -24.358 -10.969 1.00 2.22 C ATOM 1812 O4' DT B 1 -10.432 -23.715 -10.112 1.00 2.06 O ATOM 1813 C3' DT B 1 -8.288 -23.368 -11.064 1.00 2.18 C ATOM 1814 O3' DT B 1 -8.470 -22.379 -12.095 1.00 2.29 O ATOM 1815 C2' DT B 1 -8.343 -22.664 -9.723 1.00 1.96 C ATOM 1816 C1' DT B 1 -9.836 -22.601 -9.462 1.00 1.91 C ATOM 1817 N1 DT B 1 -10.225 -22.569 -8.035 1.00 1.72 N ATOM 1818 C2 DT B 1 -10.402 -21.307 -7.511 1.00 1.61 C ATOM 1819 O2 DT B 1 -10.265 -20.289 -8.172 1.00 1.71 O ATOM 1820 N3 DT B 1 -10.745 -21.272 -6.192 1.00 1.49 N ATOM 1821 C4 DT B 1 -10.933 -22.340 -5.350 1.00 1.49 C ATOM 1822 O4 DT B 1 -11.246 -22.135 -4.174 1.00 1.48 O ATOM 1823 C5 DT B 1 -10.736 -23.648 -5.958 1.00 1.64 C ATOM 1824 C7 DT B 1 -10.904 -24.872 -5.114 1.00 1.78 C ATOM 1825 C6 DT B 1 -10.396 -23.700 -7.261 1.00 1.74 C ATOM 0 H5' DT B 1 -9.906 -26.321 -10.241 1.00 2.25 H new ATOM 0 H5'' DT B 1 -8.308 -26.167 -10.944 1.00 2.25 H new ATOM 0 H4' DT B 1 -9.827 -24.595 -11.966 1.00 2.22 H new ATOM 0 H3' DT B 1 -7.354 -23.879 -11.298 1.00 2.18 H new ATOM 0 H2' DT B 1 -7.816 -23.221 -8.948 1.00 1.96 H new ATOM 0 H2'' DT B 1 -7.894 -21.672 -9.764 1.00 1.96 H new ATOM 0 H1' DT B 1 -10.193 -21.650 -9.858 1.00 1.91 H new ATOM 0 H3 DT B 1 -10.877 -20.347 -5.784 1.00 1.49 H new ATOM 0 H71 DT B 1 -11.250 -25.698 -5.736 1.00 1.78 H new ATOM 0 H72 DT B 1 -9.948 -25.135 -4.660 1.00 1.78 H new ATOM 0 H73 DT B 1 -11.636 -24.676 -4.330 1.00 1.78 H new ATOM 0 H6 DT B 1 -10.251 -24.667 -7.719 1.00 1.74 H new ATOM 1839 P DA B 2 -7.359 -21.209 -12.261 1.00 2.27 P ATOM 1840 OP1 DA B 2 -7.274 -20.643 -13.622 1.00 2.47 O ATOM 1841 OP2 DA B 2 -6.106 -21.790 -11.719 1.00 2.19 O ATOM 1842 O5' DA B 2 -7.914 -20.110 -11.247 1.00 2.12 O ATOM 1843 C5' DA B 2 -9.298 -19.696 -11.356 1.00 2.18 C ATOM 1844 C4' DA B 2 -9.426 -18.232 -10.998 1.00 2.16 C ATOM 1845 O4' DA B 2 -9.453 -18.112 -9.540 1.00 1.98 O ATOM 1846 C3' DA B 2 -8.274 -17.328 -11.428 1.00 2.19 C ATOM 1847 O3' DA B 2 -8.676 -15.965 -11.549 1.00 2.28 O ATOM 1848 C2' DA B 2 -7.291 -17.458 -10.278 1.00 1.97 C ATOM 1849 C1' DA B 2 -8.222 -17.594 -9.079 1.00 1.86 C ATOM 1850 N9 DA B 2 -7.710 -18.509 -8.021 1.00 1.69 N ATOM 1851 C8 DA B 2 -7.021 -19.680 -8.178 1.00 1.68 C ATOM 1852 N7 DA B 2 -6.716 -20.258 -7.053 1.00 1.57 N ATOM 1853 C5 DA B 2 -7.226 -19.403 -6.092 1.00 1.48 C ATOM 1854 C6 DA B 2 -7.234 -19.451 -4.684 1.00 1.40 C ATOM 1855 N6 DA B 2 -6.669 -20.447 -3.982 1.00 1.38 N ATOM 1856 N1 DA B 2 -7.836 -18.443 -4.033 1.00 1.40 N ATOM 1857 C2 DA B 2 -8.389 -17.462 -4.740 1.00 1.49 C ATOM 1858 N3 DA B 2 -8.456 -17.305 -6.044 1.00 1.58 N ATOM 1859 C4 DA B 2 -7.847 -18.329 -6.669 1.00 1.56 C ATOM 0 H5' DA B 2 -9.920 -20.297 -10.693 1.00 2.18 H new ATOM 0 H5'' DA B 2 -9.658 -19.864 -12.371 1.00 2.18 H new ATOM 0 H4' DA B 2 -10.326 -17.910 -11.522 1.00 2.16 H new ATOM 0 H3' DA B 2 -7.876 -17.612 -12.402 1.00 2.19 H new ATOM 0 H2' DA B 2 -6.643 -18.327 -10.392 1.00 1.97 H new ATOM 0 H2'' DA B 2 -6.643 -16.585 -10.195 1.00 1.97 H new ATOM 0 H1' DA B 2 -8.314 -16.604 -8.632 1.00 1.86 H new ATOM 0 H8 DA B 2 -6.756 -20.086 -9.143 1.00 1.68 H new ATOM 0 H61 DA B 2 -6.702 -20.435 -2.963 1.00 1.38 H new ATOM 0 H62 DA B 2 -6.207 -21.215 -4.468 1.00 1.38 H new ATOM 0 H2 DA B 2 -8.851 -16.679 -4.158 1.00 1.49 H new ATOM 1871 P DC B 3 -7.587 -14.809 -11.391 1.00 2.25 P ATOM 1872 OP1 DC B 3 -7.957 -13.659 -12.239 1.00 2.46 O ATOM 1873 OP2 DC B 3 -6.237 -15.377 -11.622 1.00 2.18 O ATOM 1874 O5' DC B 3 -7.749 -14.430 -9.852 1.00 2.07 O ATOM 1875 C5' DC B 3 -9.082 -14.230 -9.318 1.00 2.12 C ATOM 1876 C4' DC B 3 -9.052 -13.157 -8.254 1.00 2.08 C ATOM 1877 O4' DC B 3 -8.585 -13.751 -7.003 1.00 1.87 O ATOM 1878 C3' DC B 3 -8.096 -11.990 -8.497 1.00 2.12 C ATOM 1879 O3' DC B 3 -8.491 -10.816 -7.791 1.00 2.20 O ATOM 1880 C2' DC B 3 -6.785 -12.501 -7.921 1.00 1.90 C ATOM 1881 C1' DC B 3 -7.260 -13.333 -6.739 1.00 1.76 C ATOM 1882 N1 DC B 3 -6.440 -14.551 -6.493 1.00 1.58 N ATOM 1883 C2 DC B 3 -6.202 -14.920 -5.172 1.00 1.43 C ATOM 1884 O2 DC B 3 -6.672 -14.226 -4.262 1.00 1.46 O ATOM 1885 N3 DC B 3 -5.454 -16.026 -4.928 1.00 1.31 N ATOM 1886 C4 DC B 3 -4.960 -16.755 -5.936 1.00 1.34 C ATOM 1887 N4 DC B 3 -4.243 -17.827 -5.640 1.00 1.29 N ATOM 1888 C5 DC B 3 -5.186 -16.394 -7.301 1.00 1.50 C ATOM 1889 C6 DC B 3 -5.941 -15.283 -7.522 1.00 1.61 C ATOM 0 H5' DC B 3 -9.458 -15.162 -8.897 1.00 2.12 H new ATOM 0 H5'' DC B 3 -9.765 -13.943 -10.118 1.00 2.12 H new ATOM 0 H4' DC B 3 -10.071 -12.769 -8.246 1.00 2.08 H new ATOM 0 H3' DC B 3 -8.055 -11.708 -9.549 1.00 2.12 H new ATOM 0 H2' DC B 3 -6.228 -13.099 -8.643 1.00 1.90 H new ATOM 0 H2'' DC B 3 -6.131 -11.686 -7.610 1.00 1.90 H new ATOM 0 H1' DC B 3 -7.178 -12.704 -5.853 1.00 1.76 H new ATOM 0 H41 DC B 3 -3.853 -18.402 -6.387 1.00 1.29 H new ATOM 0 H42 DC B 3 -4.080 -18.078 -4.665 1.00 1.29 H new ATOM 0 H5 DC B 3 -4.778 -16.974 -8.116 1.00 1.50 H new ATOM 0 H6 DC B 3 -6.147 -14.977 -8.537 1.00 1.61 H new ATOM 1901 P DA B 4 -7.393 -9.724 -7.412 1.00 2.17 P ATOM 1902 OP1 DA B 4 -8.003 -8.381 -7.412 1.00 2.39 O ATOM 1903 OP2 DA B 4 -6.209 -9.897 -8.288 1.00 2.13 O ATOM 1904 O5' DA B 4 -7.017 -10.155 -5.924 1.00 1.97 O ATOM 1905 C5' DA B 4 -8.088 -10.442 -4.989 1.00 2.00 C ATOM 1906 C4' DA B 4 -7.682 -10.016 -3.599 1.00 1.94 C ATOM 1907 O4' DA B 4 -6.831 -11.056 -3.020 1.00 1.72 O ATOM 1908 C3' DA B 4 -6.843 -8.745 -3.497 1.00 1.99 C ATOM 1909 O3' DA B 4 -6.955 -8.125 -2.218 1.00 2.06 O ATOM 1910 C2' DA B 4 -5.424 -9.259 -3.681 1.00 1.77 C ATOM 1911 C1' DA B 4 -5.486 -10.617 -2.995 1.00 1.61 C ATOM 1912 N9 DA B 4 -4.655 -11.661 -3.653 1.00 1.44 N ATOM 1913 C8 DA B 4 -4.440 -11.854 -4.990 1.00 1.47 C ATOM 1914 N7 DA B 4 -3.663 -12.863 -5.251 1.00 1.33 N ATOM 1915 C5 DA B 4 -3.333 -13.358 -4.003 1.00 1.19 C ATOM 1916 C6 DA B 4 -2.527 -14.441 -3.591 1.00 1.06 C ATOM 1917 N6 DA B 4 -1.876 -15.239 -4.453 1.00 1.05 N ATOM 1918 N1 DA B 4 -2.420 -14.664 -2.274 1.00 1.02 N ATOM 1919 C2 DA B 4 -3.068 -13.866 -1.430 1.00 1.11 C ATOM 1920 N3 DA B 4 -3.848 -12.838 -1.683 1.00 1.24 N ATOM 1921 C4 DA B 4 -3.938 -12.640 -3.012 1.00 1.26 C ATOM 0 H5' DA B 4 -8.317 -11.508 -5.000 1.00 2.00 H new ATOM 0 H5'' DA B 4 -8.995 -9.918 -5.289 1.00 2.00 H new ATOM 0 H4' DA B 4 -8.632 -9.839 -3.094 1.00 1.94 H new ATOM 0 H3' DA B 4 -7.155 -7.993 -4.222 1.00 1.99 H new ATOM 0 H2' DA B 4 -5.155 -9.346 -4.734 1.00 1.77 H new ATOM 0 H2'' DA B 4 -4.689 -8.601 -3.217 1.00 1.77 H new ATOM 0 H1' DA B 4 -5.097 -10.484 -1.986 1.00 1.61 H new ATOM 0 H8 DA B 4 -4.874 -11.228 -5.756 1.00 1.47 H new ATOM 0 H61 DA B 4 -1.306 -16.009 -4.104 1.00 1.05 H new ATOM 0 H62 DA B 4 -1.952 -15.075 -5.457 1.00 1.05 H new ATOM 0 H2 DA B 4 -2.934 -14.096 -0.383 1.00 1.11 H new ATOM 1933 P DA B 5 -5.773 -7.193 -1.694 1.00 2.04 P ATOM 1934 OP1 DA B 5 -6.322 -6.124 -0.836 1.00 2.25 O ATOM 1935 OP2 DA B 5 -4.956 -6.743 -2.848 1.00 2.01 O ATOM 1936 O5' DA B 5 -4.925 -8.218 -0.813 1.00 1.83 O ATOM 1937 C5' DA B 5 -5.622 -9.077 0.121 1.00 1.84 C ATOM 1938 C4' DA B 5 -4.763 -9.309 1.343 1.00 1.79 C ATOM 1939 O4' DA B 5 -3.788 -10.355 1.036 1.00 1.56 O ATOM 1940 C3' DA B 5 -3.916 -8.128 1.811 1.00 1.85 C ATOM 1941 O3' DA B 5 -3.578 -8.222 3.192 1.00 1.93 O ATOM 1942 C2' DA B 5 -2.652 -8.268 0.976 1.00 1.64 C ATOM 1943 C1' DA B 5 -2.505 -9.780 0.873 1.00 1.47 C ATOM 1944 N9 DA B 5 -1.964 -10.241 -0.434 1.00 1.29 N ATOM 1945 C8 DA B 5 -2.215 -9.738 -1.681 1.00 1.33 C ATOM 1946 N7 DA B 5 -1.591 -10.365 -2.633 1.00 1.20 N ATOM 1947 C5 DA B 5 -0.868 -11.339 -1.966 1.00 1.03 C ATOM 1948 C6 DA B 5 0.008 -12.347 -2.417 1.00 0.89 C ATOM 1949 N6 DA B 5 0.316 -12.527 -3.713 1.00 0.91 N ATOM 1950 N1 DA B 5 0.551 -13.155 -1.492 1.00 0.84 N ATOM 1951 C2 DA B 5 0.239 -12.967 -0.213 1.00 0.93 C ATOM 1952 N3 DA B 5 -0.561 -12.075 0.330 1.00 1.07 N ATOM 1953 C4 DA B 5 -1.091 -11.285 -0.622 1.00 1.10 C ATOM 0 H5' DA B 5 -5.859 -10.029 -0.354 1.00 1.84 H new ATOM 0 H5'' DA B 5 -6.568 -8.621 0.412 1.00 1.84 H new ATOM 0 H4' DA B 5 -5.483 -9.542 2.128 1.00 1.79 H new ATOM 0 H3' DA B 5 -4.439 -7.179 1.695 1.00 1.85 H new ATOM 0 H2' DA B 5 -2.756 -7.801 -0.003 1.00 1.64 H new ATOM 0 H2'' DA B 5 -1.791 -7.807 1.459 1.00 1.64 H new ATOM 0 H1' DA B 5 -1.797 -10.087 1.643 1.00 1.47 H new ATOM 0 H8 DA B 5 -2.871 -8.898 -1.858 1.00 1.33 H new ATOM 0 H61 DA B 5 0.956 -13.272 -3.986 1.00 0.91 H new ATOM 0 H62 DA B 5 -0.091 -11.918 -4.423 1.00 0.91 H new ATOM 0 H2 DA B 5 0.711 -13.646 0.481 1.00 0.93 H new ATOM 1965 P DT B 6 -2.272 -7.482 3.729 1.00 1.92 P ATOM 1966 OP1 DT B 6 -2.481 -7.053 5.126 1.00 2.14 O ATOM 1967 OP2 DT B 6 -1.885 -6.417 2.772 1.00 1.89 O ATOM 1968 O5' DT B 6 -1.197 -8.659 3.675 1.00 1.71 O ATOM 1969 C5' DT B 6 -1.555 -9.956 4.214 1.00 1.72 C ATOM 1970 C4' DT B 6 -0.337 -10.607 4.831 1.00 1.68 C ATOM 1971 O4' DT B 6 0.458 -11.215 3.763 1.00 1.45 O ATOM 1972 C3' DT B 6 0.639 -9.678 5.546 1.00 1.76 C ATOM 1973 O3' DT B 6 1.421 -10.365 6.520 1.00 1.86 O ATOM 1974 C2' DT B 6 1.545 -9.206 4.420 1.00 1.55 C ATOM 1975 C1' DT B 6 1.619 -10.443 3.533 1.00 1.36 C ATOM 1976 N1 DT B 6 1.681 -10.135 2.080 1.00 1.16 N ATOM 1977 C2 DT B 6 2.490 -10.934 1.298 1.00 0.98 C ATOM 1978 O2 DT B 6 3.138 -11.860 1.753 1.00 0.99 O ATOM 1979 N3 DT B 6 2.515 -10.613 -0.045 1.00 0.85 N ATOM 1980 C4 DT B 6 1.826 -9.593 -0.658 1.00 0.93 C ATOM 1981 O4 DT B 6 1.930 -9.401 -1.875 1.00 0.91 O ATOM 1982 C5 DT B 6 1.011 -8.808 0.237 1.00 1.14 C ATOM 1983 C7 DT B 6 0.235 -7.689 -0.390 1.00 1.31 C ATOM 1984 C6 DT B 6 0.956 -9.094 1.553 1.00 1.23 C ATOM 0 H5' DT B 6 -1.957 -10.590 3.424 1.00 1.72 H new ATOM 0 H5'' DT B 6 -2.339 -9.845 4.963 1.00 1.72 H new ATOM 0 H4' DT B 6 -0.753 -11.294 5.568 1.00 1.68 H new ATOM 0 H3' DT B 6 0.124 -8.881 6.083 1.00 1.76 H new ATOM 0 H2' DT B 6 1.127 -8.349 3.891 1.00 1.55 H new ATOM 0 H2'' DT B 6 2.527 -8.906 4.785 1.00 1.55 H new ATOM 0 H1' DT B 6 2.539 -10.968 3.791 1.00 1.36 H new ATOM 0 H3 DT B 6 3.105 -11.192 -0.643 1.00 0.85 H new ATOM 0 H71 DT B 6 0.776 -7.313 -1.258 1.00 1.31 H new ATOM 0 H72 DT B 6 -0.743 -8.055 -0.702 1.00 1.31 H new ATOM 0 H73 DT B 6 0.107 -6.884 0.334 1.00 1.31 H new ATOM 0 H6 DT B 6 0.333 -8.496 2.202 1.00 1.23 H new ATOM 1997 P DA B 7 2.847 -9.783 6.933 1.00 1.87 P ATOM 1998 OP1 DA B 7 3.128 -10.109 8.345 1.00 2.11 O ATOM 1999 OP2 DA B 7 2.908 -8.344 6.574 1.00 1.84 O ATOM 2000 O5' DA B 7 3.818 -10.609 5.978 1.00 1.65 O ATOM 2001 C5' DA B 7 3.638 -12.043 5.871 1.00 1.65 C ATOM 2002 C4' DA B 7 4.980 -12.714 5.680 1.00 1.62 C ATOM 2003 O4' DA B 7 5.357 -12.607 4.270 1.00 1.37 O ATOM 2004 C3' DA B 7 6.158 -12.101 6.431 1.00 1.73 C ATOM 2005 O3' DA B 7 7.210 -13.039 6.643 1.00 1.83 O ATOM 2006 C2' DA B 7 6.640 -11.016 5.483 1.00 1.51 C ATOM 2007 C1' DA B 7 6.388 -11.652 4.121 1.00 1.30 C ATOM 2008 N9 DA B 7 5.960 -10.681 3.076 1.00 1.09 N ATOM 2009 C8 DA B 7 5.139 -9.596 3.214 1.00 1.14 C ATOM 2010 N7 DA B 7 4.949 -8.942 2.106 1.00 0.99 N ATOM 2011 C5 DA B 7 5.709 -9.635 1.179 1.00 0.80 C ATOM 2012 C6 DA B 7 5.933 -9.447 -0.200 1.00 0.64 C ATOM 2013 N6 DA B 7 5.386 -8.439 -0.898 1.00 0.69 N ATOM 2014 N1 DA B 7 6.735 -10.323 -0.823 1.00 0.57 N ATOM 2015 C2 DA B 7 7.272 -11.315 -0.118 1.00 0.68 C ATOM 2016 N3 DA B 7 7.139 -11.603 1.159 1.00 0.84 N ATOM 2017 C4 DA B 7 6.329 -10.707 1.754 1.00 0.88 C ATOM 0 H5' DA B 7 2.982 -12.275 5.032 1.00 1.65 H new ATOM 0 H5'' DA B 7 3.154 -12.426 6.769 1.00 1.65 H new ATOM 0 H4' DA B 7 4.823 -13.724 6.059 1.00 1.62 H new ATOM 0 H3' DA B 7 5.868 -11.747 7.421 1.00 1.73 H new ATOM 0 H2' DA B 7 6.084 -10.087 5.609 1.00 1.51 H new ATOM 0 H2'' DA B 7 7.693 -10.780 5.635 1.00 1.51 H new ATOM 0 H1' DA B 7 7.331 -12.088 3.792 1.00 1.30 H new ATOM 0 H8 DA B 7 4.691 -9.309 4.154 1.00 1.14 H new ATOM 0 H61 DA B 7 5.579 -8.346 -1.895 1.00 0.69 H new ATOM 0 H62 DA B 7 4.778 -7.767 -0.431 1.00 0.69 H new ATOM 0 H2 DA B 7 7.912 -11.983 -0.676 1.00 0.68 H new ATOM 2029 P DT B 8 8.701 -12.513 6.842 1.00 1.86 P ATOM 2030 OP1 DT B 8 9.436 -13.425 7.739 1.00 2.10 O ATOM 2031 OP2 DT B 8 8.665 -11.089 7.253 1.00 1.84 O ATOM 2032 O5' DT B 8 9.279 -12.623 5.359 1.00 1.63 O ATOM 2033 C5' DT B 8 9.046 -13.841 4.610 1.00 1.61 C ATOM 2034 C4' DT B 8 10.231 -14.124 3.714 1.00 1.57 C ATOM 2035 O4' DT B 8 10.114 -13.301 2.511 1.00 1.32 O ATOM 2036 C3' DT B 8 11.606 -13.772 4.280 1.00 1.70 C ATOM 2037 O3' DT B 8 12.650 -14.521 3.663 1.00 1.78 O ATOM 2038 C2' DT B 8 11.760 -12.306 3.907 1.00 1.49 C ATOM 2039 C1' DT B 8 11.053 -12.243 2.559 1.00 1.26 C ATOM 2040 N1 DT B 8 10.316 -10.972 2.325 1.00 1.06 N ATOM 2041 C2 DT B 8 10.337 -10.456 1.047 1.00 0.85 C ATOM 2042 O2 DT B 8 10.924 -10.998 0.127 1.00 0.85 O ATOM 2043 N3 DT B 8 9.639 -9.276 0.876 1.00 0.71 N ATOM 2044 C4 DT B 8 8.947 -8.585 1.842 1.00 0.82 C ATOM 2045 O4 DT B 8 8.358 -7.532 1.569 1.00 0.80 O ATOM 2046 C5 DT B 8 8.985 -9.196 3.149 1.00 1.04 C ATOM 2047 C7 DT B 8 8.235 -8.479 4.232 1.00 1.22 C ATOM 2048 C6 DT B 8 9.650 -10.350 3.353 1.00 1.14 C ATOM 0 H5' DT B 8 8.140 -13.743 4.011 1.00 1.61 H new ATOM 0 H5'' DT B 8 8.888 -14.675 5.294 1.00 1.61 H new ATOM 0 H4' DT B 8 10.191 -15.202 3.560 1.00 1.57 H new ATOM 0 H3' DT B 8 11.673 -13.984 5.347 1.00 1.70 H new ATOM 0 H2' DT B 8 11.296 -11.648 4.642 1.00 1.49 H new ATOM 0 H2'' DT B 8 12.807 -12.012 3.832 1.00 1.49 H new ATOM 0 H1' DT B 8 11.823 -12.316 1.791 1.00 1.26 H new ATOM 0 H3 DT B 8 9.637 -8.877 -0.063 1.00 0.71 H new ATOM 0 H71 DT B 8 8.232 -7.409 4.025 1.00 1.22 H new ATOM 0 H72 DT B 8 7.209 -8.845 4.267 1.00 1.22 H new ATOM 0 H73 DT B 8 8.718 -8.662 5.192 1.00 1.22 H new ATOM 0 H6 DT B 8 9.660 -10.792 4.338 1.00 1.14 H new ATOM 2061 P DA B 9 14.130 -13.932 3.641 1.00 1.82 P ATOM 2062 OP1 DA B 9 15.107 -15.037 3.691 1.00 2.06 O ATOM 2063 OP2 DA B 9 14.262 -12.901 4.699 1.00 1.83 O ATOM 2064 O5' DA B 9 14.171 -13.229 2.210 1.00 1.59 O ATOM 2065 C5' DA B 9 13.678 -13.962 1.059 1.00 1.55 C ATOM 2066 C4' DA B 9 14.487 -13.596 -0.165 1.00 1.52 C ATOM 2067 O4' DA B 9 13.985 -12.328 -0.694 1.00 1.27 O ATOM 2068 C3' DA B 9 15.977 -13.350 0.057 1.00 1.65 C ATOM 2069 O3' DA B 9 16.738 -13.546 -1.132 1.00 1.73 O ATOM 2070 C2' DA B 9 16.024 -11.880 0.443 1.00 1.46 C ATOM 2071 C1' DA B 9 14.906 -11.293 -0.408 1.00 1.23 C ATOM 2072 N9 DA B 9 14.157 -10.194 0.262 1.00 1.04 N ATOM 2073 C8 DA B 9 13.808 -10.088 1.581 1.00 1.11 C ATOM 2074 N7 DA B 9 13.147 -9.004 1.860 1.00 0.98 N ATOM 2075 C5 DA B 9 13.065 -8.346 0.644 1.00 0.79 C ATOM 2076 C6 DA B 9 12.479 -7.122 0.263 1.00 0.64 C ATOM 2077 N6 DA B 9 11.843 -6.312 1.129 1.00 0.71 N ATOM 2078 N1 DA B 9 12.570 -6.767 -1.027 1.00 0.57 N ATOM 2079 C2 DA B 9 13.201 -7.576 -1.873 1.00 0.66 C ATOM 2080 N3 DA B 9 13.782 -8.735 -1.646 1.00 0.79 N ATOM 2081 C4 DA B 9 13.672 -9.065 -0.345 1.00 0.84 C ATOM 0 H5' DA B 9 12.626 -13.732 0.893 1.00 1.55 H new ATOM 0 H5'' DA B 9 13.745 -15.034 1.243 1.00 1.55 H new ATOM 0 H4' DA B 9 14.379 -14.462 -0.818 1.00 1.52 H new ATOM 0 H3' DA B 9 16.396 -14.031 0.797 1.00 1.65 H new ATOM 0 H2' DA B 9 15.846 -11.732 1.508 1.00 1.46 H new ATOM 0 H2'' DA B 9 16.990 -11.429 0.215 1.00 1.46 H new ATOM 0 H1' DA B 9 15.370 -10.874 -1.300 1.00 1.23 H new ATOM 0 H8 DA B 9 14.058 -10.834 2.320 1.00 1.11 H new ATOM 0 H61 DA B 9 11.435 -5.436 0.803 1.00 0.71 H new ATOM 0 H62 DA B 9 11.768 -6.574 2.112 1.00 0.71 H new ATOM 0 H2 DA B 9 13.243 -7.232 -2.896 1.00 0.66 H new ATOM 2093 P DA B 10 18.136 -12.797 -1.301 1.00 1.78 P ATOM 2094 OP1 DA B 10 19.052 -13.626 -2.107 1.00 2.00 O ATOM 2095 OP2 DA B 10 18.635 -12.388 0.036 1.00 1.80 O ATOM 2096 O5' DA B 10 17.704 -11.500 -2.122 1.00 1.56 O ATOM 2097 C5' DA B 10 16.839 -11.661 -3.275 1.00 1.52 C ATOM 2098 C4' DA B 10 17.194 -10.636 -4.328 1.00 1.50 C ATOM 2099 O4' DA B 10 16.567 -9.362 -3.971 1.00 1.26 O ATOM 2100 C3' DA B 10 18.676 -10.299 -4.473 1.00 1.63 C ATOM 2101 O3' DA B 10 18.987 -9.782 -5.765 1.00 1.72 O ATOM 2102 C2' DA B 10 18.878 -9.204 -3.436 1.00 1.46 C ATOM 2103 C1' DA B 10 17.549 -8.462 -3.495 1.00 1.24 C ATOM 2104 N9 DA B 10 17.090 -7.948 -2.178 1.00 1.07 N ATOM 2105 C8 DA B 10 17.209 -8.538 -0.948 1.00 1.12 C ATOM 2106 N7 DA B 10 16.701 -7.833 0.020 1.00 1.02 N ATOM 2107 C5 DA B 10 16.228 -6.697 -0.613 1.00 0.85 C ATOM 2108 C6 DA B 10 15.567 -5.547 -0.133 1.00 0.74 C ATOM 2109 N6 DA B 10 15.277 -5.357 1.165 1.00 0.81 N ATOM 2110 N1 DA B 10 15.225 -4.610 -1.030 1.00 0.69 N ATOM 2111 C2 DA B 10 15.520 -4.810 -2.312 1.00 0.76 C ATOM 2112 N3 DA B 10 16.121 -5.831 -2.882 1.00 0.86 N ATOM 2113 C4 DA B 10 16.450 -6.752 -1.959 1.00 0.89 C ATOM 0 H5' DA B 10 15.797 -11.545 -2.978 1.00 1.52 H new ATOM 0 H5'' DA B 10 16.944 -12.666 -3.683 1.00 1.52 H new ATOM 0 H4' DA B 10 16.855 -11.091 -5.259 1.00 1.50 H new ATOM 0 H3' DA B 10 19.308 -11.177 -4.341 1.00 1.63 H new ATOM 0 H2' DA B 10 19.074 -9.612 -2.444 1.00 1.46 H new ATOM 0 H2'' DA B 10 19.718 -8.556 -3.685 1.00 1.46 H new ATOM 0 H1' DA B 10 17.694 -7.600 -4.147 1.00 1.24 H new ATOM 0 H8 DA B 10 17.680 -9.498 -0.796 1.00 1.12 H new ATOM 0 H61 DA B 10 14.797 -4.507 1.461 1.00 0.81 H new ATOM 0 H62 DA B 10 15.537 -6.063 1.854 1.00 0.81 H new ATOM 0 H2 DA B 10 15.222 -4.018 -2.983 1.00 0.76 H new ATOM 2125 P DC B 11 20.261 -8.840 -5.945 1.00 1.78 P ATOM 2126 OP1 DC B 11 20.836 -9.032 -7.291 1.00 2.00 O ATOM 2127 OP2 DC B 11 21.188 -9.048 -4.808 1.00 1.79 O ATOM 2128 O5' DC B 11 19.601 -7.393 -5.833 1.00 1.58 O ATOM 2129 C5' DC B 11 18.394 -7.115 -6.588 1.00 1.55 C ATOM 2130 C4' DC B 11 18.393 -5.671 -7.036 1.00 1.54 C ATOM 2131 O4' DC B 11 17.947 -4.836 -5.921 1.00 1.33 O ATOM 2132 C3' DC B 11 19.747 -5.082 -7.430 1.00 1.68 C ATOM 2133 O3' DC B 11 19.613 -3.971 -8.314 1.00 1.78 O ATOM 2134 C2' DC B 11 20.305 -4.599 -6.102 1.00 1.51 C ATOM 2135 C1' DC B 11 19.048 -4.133 -5.379 1.00 1.31 C ATOM 2136 N1 DC B 11 19.071 -4.386 -3.912 1.00 1.14 N ATOM 2137 C2 DC B 11 18.509 -3.425 -3.077 1.00 1.00 C ATOM 2138 O2 DC B 11 18.021 -2.404 -3.581 1.00 1.03 O ATOM 2139 N3 DC B 11 18.521 -3.635 -1.737 1.00 0.91 N ATOM 2140 C4 DC B 11 19.057 -4.751 -1.224 1.00 0.98 C ATOM 2141 N4 DC B 11 19.038 -4.908 0.090 1.00 1.00 N ATOM 2142 C5 DC B 11 19.644 -5.751 -2.061 1.00 1.14 C ATOM 2143 C6 DC B 11 19.618 -5.519 -3.401 1.00 1.20 C ATOM 0 H5' DC B 11 17.516 -7.316 -5.975 1.00 1.55 H new ATOM 0 H5'' DC B 11 18.336 -7.774 -7.454 1.00 1.55 H new ATOM 0 H4' DC B 11 17.752 -5.672 -7.918 1.00 1.54 H new ATOM 0 H3' DC B 11 20.371 -5.807 -7.952 1.00 1.68 H new ATOM 0 H2' DC B 11 20.815 -5.395 -5.560 1.00 1.51 H new ATOM 0 H2'' DC B 11 21.024 -3.790 -6.232 1.00 1.51 H new ATOM 0 H1' DC B 11 18.979 -3.054 -5.520 1.00 1.31 H new ATOM 0 H41 DC B 11 19.438 -5.747 0.509 1.00 1.00 H new ATOM 0 H42 DC B 11 18.623 -4.190 0.683 1.00 1.00 H new ATOM 0 H5 DC B 11 20.086 -6.646 -1.649 1.00 1.14 H new ATOM 0 H6 DC B 11 20.041 -6.251 -4.073 1.00 1.20 H new ATOM 2155 P DG B 12 20.768 -2.873 -8.371 1.00 1.84 P ATOM 2156 OP1 DG B 12 20.853 -2.308 -9.733 1.00 2.07 O ATOM 2157 OP2 DG B 12 22.021 -3.454 -7.831 1.00 1.85 O ATOM 2158 O5' DG B 12 20.212 -1.775 -7.357 1.00 1.66 O ATOM 2159 C5' DG B 12 18.827 -1.360 -7.468 1.00 1.64 C ATOM 2160 C4' DG B 12 18.702 0.102 -7.108 1.00 1.65 C ATOM 2161 O4' DG B 12 18.673 0.225 -5.650 1.00 1.44 O ATOM 2162 C3' DG B 12 19.853 1.009 -7.539 1.00 1.78 C ATOM 2163 O3' DG B 12 19.451 2.371 -7.659 1.00 1.89 O ATOM 2164 C2' DG B 12 20.836 0.877 -6.386 1.00 1.62 C ATOM 2165 C1' DG B 12 19.905 0.742 -5.188 1.00 1.43 C ATOM 2166 N9 DG B 12 20.417 -0.173 -4.132 1.00 1.27 N ATOM 2167 C8 DG B 12 21.110 -1.357 -4.265 1.00 1.29 C ATOM 2168 N7 DG B 12 21.420 -1.924 -3.127 1.00 1.20 N ATOM 2169 C5 DG B 12 20.892 -1.061 -2.165 1.00 1.09 C ATOM 2170 C6 DG B 12 20.910 -1.148 -0.754 1.00 1.04 C ATOM 2171 O6 DG B 12 21.401 -2.018 -0.036 1.00 1.08 O ATOM 2172 N1 DG B 12 20.258 -0.051 -0.164 1.00 1.03 N ATOM 2173 C2 DG B 12 19.674 0.989 -0.856 1.00 1.08 C ATOM 2174 N2 DG B 12 19.105 1.946 -0.114 1.00 1.16 N ATOM 2175 N3 DG B 12 19.650 1.067 -2.184 1.00 1.15 N ATOM 2176 C4 DG B 12 20.275 0.015 -2.775 1.00 1.14 C ATOM 0 H5' DG B 12 18.203 -1.962 -6.807 1.00 1.64 H new ATOM 0 H5'' DG B 12 18.468 -1.526 -8.484 1.00 1.64 H new ATOM 0 H4' DG B 12 17.802 0.422 -7.633 1.00 1.65 H new ATOM 0 H3' DG B 12 20.250 0.728 -8.514 1.00 1.78 H new ATOM 0 H2' DG B 12 21.483 0.007 -6.499 1.00 1.62 H new ATOM 0 H2'' DG B 12 21.485 1.749 -6.302 1.00 1.62 H new ATOM 0 H1' DG B 12 19.812 1.731 -4.740 1.00 1.43 H new ATOM 0 H8 DG B 12 21.374 -1.779 -5.223 1.00 1.29 H new ATOM 0 H1 DG B 12 20.214 -0.022 0.855 1.00 1.03 H new ATOM 0 H21 DG B 12 18.656 2.743 -0.566 1.00 1.16 H new ATOM 0 H22 DG B 12 19.120 1.879 0.904 1.00 1.16 H new ATOM 2188 P DT B 13 20.538 3.525 -7.501 1.00 1.95 P ATOM 2189 OP1 DT B 13 20.169 4.676 -8.348 1.00 2.17 O ATOM 2190 OP2 DT B 13 21.890 2.958 -7.732 1.00 1.96 O ATOM 2191 O5' DT B 13 20.378 3.906 -5.961 1.00 1.78 O ATOM 2192 C5' DT B 13 19.044 4.105 -5.428 1.00 1.75 C ATOM 2193 C4' DT B 13 19.075 5.178 -4.366 1.00 1.76 C ATOM 2194 O4' DT B 13 19.542 4.583 -3.113 1.00 1.57 O ATOM 2195 C3' DT B 13 20.029 6.345 -4.607 1.00 1.89 C ATOM 2196 O3' DT B 13 19.636 7.519 -3.901 1.00 1.99 O ATOM 2197 C2' DT B 13 21.342 5.834 -4.033 1.00 1.75 C ATOM 2198 C1' DT B 13 20.868 5.002 -2.849 1.00 1.57 C ATOM 2199 N1 DT B 13 21.688 3.784 -2.604 1.00 1.42 N ATOM 2200 C2 DT B 13 21.916 3.432 -1.290 1.00 1.32 C ATOM 2201 O2 DT B 13 21.477 4.071 -0.351 1.00 1.35 O ATOM 2202 N3 DT B 13 22.680 2.295 -1.111 1.00 1.25 N ATOM 2203 C4 DT B 13 23.222 1.506 -2.097 1.00 1.28 C ATOM 2204 O4 DT B 13 23.894 0.507 -1.812 1.00 1.28 O ATOM 2205 C5 DT B 13 22.936 1.954 -3.439 1.00 1.39 C ATOM 2206 C7 DT B 13 23.501 1.118 -4.547 1.00 1.50 C ATOM 2207 C6 DT B 13 22.187 3.054 -3.653 1.00 1.45 C ATOM 0 H5' DT B 13 18.668 3.173 -5.006 1.00 1.75 H new ATOM 0 H5'' DT B 13 18.361 4.391 -6.228 1.00 1.75 H new ATOM 0 H4' DT B 13 18.057 5.567 -4.360 1.00 1.76 H new ATOM 0 H3' DT B 13 20.067 6.627 -5.659 1.00 1.89 H new ATOM 0 H2' DT B 13 21.898 5.236 -4.755 1.00 1.75 H new ATOM 0 H2'' DT B 13 21.996 6.649 -3.723 1.00 1.75 H new ATOM 0 H1' DT B 13 20.951 5.631 -1.963 1.00 1.57 H new ATOM 0 H3 DT B 13 22.860 2.012 -0.148 1.00 1.25 H new ATOM 0 H71 DT B 13 24.427 0.649 -4.213 1.00 1.50 H new ATOM 0 H72 DT B 13 22.782 0.347 -4.824 1.00 1.50 H new ATOM 0 H73 DT B 13 23.706 1.750 -5.411 1.00 1.50 H new ATOM 0 H6 DT B 13 21.976 3.365 -4.665 1.00 1.45 H new ATOM 2220 P DC B 14 20.735 8.611 -3.522 1.00 2.06 P ATOM 2221 OP1 DC B 14 20.123 9.955 -3.523 1.00 2.27 O ATOM 2222 OP2 DC B 14 21.918 8.439 -4.399 1.00 2.07 O ATOM 2223 O5' DC B 14 21.110 8.182 -2.034 1.00 1.90 O ATOM 2224 C5' DC B 14 20.038 7.893 -1.101 1.00 1.87 C ATOM 2225 C4' DC B 14 20.445 8.319 0.292 1.00 1.89 C ATOM 2226 O4' DC B 14 21.296 7.279 0.870 1.00 1.72 O ATOM 2227 C3' DC B 14 21.285 9.592 0.393 1.00 2.02 C ATOM 2228 O3' DC B 14 21.173 10.210 1.673 1.00 2.12 O ATOM 2229 C2' DC B 14 22.704 9.077 0.209 1.00 1.90 C ATOM 2230 C1' DC B 14 22.640 7.720 0.896 1.00 1.74 C ATOM 2231 N1 DC B 14 23.472 6.675 0.239 1.00 1.60 N ATOM 2232 C2 DC B 14 24.134 5.761 1.054 1.00 1.52 C ATOM 2233 O2 DC B 14 24.012 5.855 2.282 1.00 1.56 O ATOM 2234 N3 DC B 14 24.900 4.805 0.473 1.00 1.45 N ATOM 2235 C4 DC B 14 25.011 4.728 -0.860 1.00 1.46 C ATOM 2236 N4 DC B 14 25.768 3.771 -1.374 1.00 1.45 N ATOM 2237 C5 DC B 14 24.345 5.658 -1.716 1.00 1.55 C ATOM 2238 C6 DC B 14 23.581 6.608 -1.113 1.00 1.62 C ATOM 0 H5' DC B 14 19.810 6.827 -1.113 1.00 1.87 H new ATOM 0 H5'' DC B 14 19.131 8.417 -1.401 1.00 1.87 H new ATOM 0 H4' DC B 14 19.496 8.495 0.798 1.00 1.89 H new ATOM 0 H3' DC B 14 20.974 10.345 -0.332 1.00 2.02 H new ATOM 0 H2' DC B 14 22.973 8.989 -0.844 1.00 1.90 H new ATOM 0 H2'' DC B 14 23.440 9.734 0.672 1.00 1.90 H new ATOM 0 H1' DC B 14 23.027 7.856 1.906 1.00 1.74 H new ATOM 0 H41 DC B 14 25.870 3.689 -2.386 1.00 1.45 H new ATOM 0 H42 DC B 14 26.249 3.115 -0.758 1.00 1.45 H new ATOM 0 H5 DC B 14 24.443 5.609 -2.790 1.00 1.55 H new ATOM 0 H6 DC B 14 23.050 7.324 -1.722 1.00 1.62 H new ATOM 2250 P DG B 15 22.355 11.143 2.196 1.00 2.21 P ATOM 2251 OP1 DG B 15 21.804 12.211 3.053 1.00 2.40 O ATOM 2252 OP2 DG B 15 23.171 11.593 1.043 1.00 2.21 O ATOM 2253 O5' DG B 15 23.202 10.118 3.076 1.00 2.07 O ATOM 2254 C5' DG B 15 22.503 9.258 4.012 1.00 2.04 C ATOM 2255 C4' DG B 15 23.362 9.026 5.233 1.00 2.08 C ATOM 2256 O4' DG B 15 24.339 7.980 4.926 1.00 1.93 O ATOM 2257 C3' DG B 15 24.212 10.207 5.700 1.00 2.21 C ATOM 2258 O3' DG B 15 24.549 10.115 7.083 1.00 2.32 O ATOM 2259 C2' DG B 15 25.474 10.067 4.866 1.00 2.10 C ATOM 2260 C1' DG B 15 25.622 8.555 4.761 1.00 1.95 C ATOM 2261 N9 DG B 15 26.163 8.095 3.456 1.00 1.82 N ATOM 2262 C8 DG B 15 25.923 8.583 2.189 1.00 1.80 C ATOM 2263 N7 DG B 15 26.563 7.949 1.241 1.00 1.72 N ATOM 2264 C5 DG B 15 27.281 6.964 1.919 1.00 1.67 C ATOM 2265 C6 DG B 15 28.154 5.968 1.426 1.00 1.63 C ATOM 2266 O6 DG B 15 28.490 5.737 0.265 1.00 1.62 O ATOM 2267 N1 DG B 15 28.672 5.176 2.466 1.00 1.65 N ATOM 2268 C2 DG B 15 28.380 5.338 3.804 1.00 1.72 C ATOM 2269 N2 DG B 15 28.975 4.487 4.645 1.00 1.80 N ATOM 2270 N3 DG B 15 27.551 6.271 4.269 1.00 1.77 N ATOM 2271 C4 DG B 15 27.039 7.046 3.279 1.00 1.73 C ATOM 0 H5' DG B 15 22.265 8.306 3.537 1.00 2.04 H new ATOM 0 H5'' DG B 15 21.557 9.715 4.303 1.00 2.04 H new ATOM 0 H4' DG B 15 22.641 8.793 6.017 1.00 2.08 H new ATOM 0 H3' DG B 15 23.690 11.157 5.583 1.00 2.21 H new ATOM 0 H2' DG B 15 25.370 10.535 3.887 1.00 2.10 H new ATOM 0 H2'' DG B 15 26.335 10.528 5.350 1.00 2.10 H new ATOM 0 HO3' DG B 15 25.094 10.888 7.339 1.00 2.32 H new ATOM 0 H1' DG B 15 26.331 8.248 5.530 1.00 1.95 H new ATOM 0 H8 DG B 15 25.264 9.416 1.996 1.00 1.80 H new ATOM 0 H1 DG B 15 29.313 4.424 2.211 1.00 1.65 H new ATOM 0 H21 DG B 15 28.800 4.555 5.648 1.00 1.80 H new ATOM 0 H22 DG B 15 29.604 3.770 4.284 1.00 1.80 H new TER 2284 DG B 15 ATOM 2285 OP3 DC C 16 36.271 0.753 0.202 1.00 2.40 O ATOM 2286 P DC C 16 35.690 -0.705 0.471 1.00 2.45 P ATOM 2287 OP1 DC C 16 36.828 -1.615 0.761 1.00 2.66 O ATOM 2288 OP2 DC C 16 34.741 -1.039 -0.621 1.00 2.37 O ATOM 2289 O5' DC C 16 34.857 -0.507 1.818 1.00 2.36 O ATOM 2290 C5' DC C 16 35.479 0.021 3.016 1.00 2.43 C ATOM 2291 C4' DC C 16 34.532 -0.116 4.186 1.00 2.41 C ATOM 2292 O4' DC C 16 33.570 0.984 4.142 1.00 2.24 O ATOM 2293 C3' DC C 16 33.666 -1.373 4.215 1.00 2.43 C ATOM 2294 O3' DC C 16 33.231 -1.698 5.533 1.00 2.51 O ATOM 2295 C2' DC C 16 32.462 -0.975 3.376 1.00 2.22 C ATOM 2296 C1' DC C 16 32.308 0.501 3.723 1.00 2.12 C ATOM 2297 N1 DC C 16 31.855 1.342 2.582 1.00 1.96 N ATOM 2298 C2 DC C 16 30.964 2.377 2.851 1.00 1.85 C ATOM 2299 O2 DC C 16 30.583 2.553 4.014 1.00 1.89 O ATOM 2300 N3 DC C 16 30.538 3.153 1.823 1.00 1.75 N ATOM 2301 C4 DC C 16 30.969 2.937 0.574 1.00 1.76 C ATOM 2302 N4 DC C 16 30.523 3.728 -0.389 1.00 1.72 N ATOM 2303 C5 DC C 16 31.879 1.878 0.273 1.00 1.88 C ATOM 2304 C6 DC C 16 32.297 1.112 1.318 1.00 1.97 C ATOM 0 H5' DC C 16 35.741 1.069 2.869 1.00 2.43 H new ATOM 0 H5'' DC C 16 36.406 -0.514 3.222 1.00 2.43 H new ATOM 0 H4' DC C 16 35.193 -0.138 5.053 1.00 2.41 H new ATOM 0 H3' DC C 16 34.207 -2.248 3.854 1.00 2.43 H new ATOM 0 H2' DC C 16 32.638 -1.128 2.311 1.00 2.22 H new ATOM 0 H2'' DC C 16 31.574 -1.550 3.638 1.00 2.22 H new ATOM 0 H1' DC C 16 31.544 0.570 4.498 1.00 2.12 H new ATOM 0 H41 DC C 16 30.834 3.587 -1.350 1.00 1.72 H new ATOM 0 H42 DC C 16 29.868 4.479 -0.170 1.00 1.72 H new ATOM 0 H5 DC C 16 32.219 1.694 -0.735 1.00 1.88 H new ATOM 0 H6 DC C 16 32.993 0.306 1.139 1.00 1.97 H new ATOM 2317 P DG C 17 31.897 -2.550 5.729 1.00 2.47 P ATOM 2318 OP1 DG C 17 32.012 -3.384 6.941 1.00 2.67 O ATOM 2319 OP2 DG C 17 31.589 -3.273 4.471 1.00 2.40 O ATOM 2320 O5' DG C 17 30.817 -1.399 5.957 1.00 2.30 O ATOM 2321 C5' DG C 17 31.122 -0.329 6.887 1.00 2.35 C ATOM 2322 C4' DG C 17 29.859 0.120 7.583 1.00 2.31 C ATOM 2323 O4' DG C 17 29.134 1.029 6.696 1.00 2.11 O ATOM 2324 C3' DG C 17 28.844 -0.971 7.915 1.00 2.34 C ATOM 2325 O3' DG C 17 27.987 -0.601 8.993 1.00 2.42 O ATOM 2326 C2' DG C 17 28.024 -1.071 6.639 1.00 2.12 C ATOM 2327 C1' DG C 17 27.999 0.377 6.164 1.00 1.99 C ATOM 2328 N9 DG C 17 28.044 0.524 4.684 1.00 1.83 N ATOM 2329 C8 DG C 17 28.747 -0.215 3.754 1.00 1.83 C ATOM 2330 N7 DG C 17 28.566 0.172 2.518 1.00 1.71 N ATOM 2331 C5 DG C 17 27.682 1.248 2.626 1.00 1.61 C ATOM 2332 C6 DG C 17 27.125 2.075 1.625 1.00 1.50 C ATOM 2333 O6 DG C 17 27.290 2.036 0.407 1.00 1.48 O ATOM 2334 N1 DG C 17 26.272 3.046 2.179 1.00 1.48 N ATOM 2335 C2 DG C 17 25.998 3.187 3.523 1.00 1.57 C ATOM 2336 N2 DG C 17 25.156 4.172 3.853 1.00 1.60 N ATOM 2337 N3 DG C 17 26.529 2.415 4.467 1.00 1.67 N ATOM 2338 C4 DG C 17 27.359 1.467 3.953 1.00 1.68 C ATOM 0 H5' DG C 17 31.573 0.509 6.356 1.00 2.35 H new ATOM 0 H5'' DG C 17 31.851 -0.670 7.622 1.00 2.35 H new ATOM 0 H4' DG C 17 30.216 0.550 8.519 1.00 2.31 H new ATOM 0 H3' DG C 17 29.329 -1.898 8.222 1.00 2.34 H new ATOM 0 H2' DG C 17 28.487 -1.733 5.907 1.00 2.12 H new ATOM 0 H2'' DG C 17 27.022 -1.456 6.827 1.00 2.12 H new ATOM 0 H1' DG C 17 27.058 0.809 6.503 1.00 1.99 H new ATOM 0 H8 DG C 17 29.390 -1.040 4.023 1.00 1.83 H new ATOM 0 H1 DG C 17 25.821 3.697 1.536 1.00 1.48 H new ATOM 0 H21 DG C 17 24.913 4.329 4.831 1.00 1.60 H new ATOM 0 H22 DG C 17 24.757 4.767 3.127 1.00 1.60 H new ATOM 2350 P DA C 18 26.544 -1.266 9.110 1.00 2.38 P ATOM 2351 OP1 DA C 18 26.159 -1.378 10.531 1.00 2.59 O ATOM 2352 OP2 DA C 18 26.521 -2.528 8.331 1.00 2.33 O ATOM 2353 O5' DA C 18 25.633 -0.178 8.382 1.00 2.18 O ATOM 2354 C5' DA C 18 25.805 1.220 8.729 1.00 2.21 C ATOM 2355 C4' DA C 18 24.475 1.933 8.654 1.00 2.15 C ATOM 2356 O4' DA C 18 24.198 2.262 7.256 1.00 1.93 O ATOM 2357 C3' DA C 18 23.252 1.135 9.102 1.00 2.19 C ATOM 2358 O3' DA C 18 22.179 1.978 9.512 1.00 2.25 O ATOM 2359 C2' DA C 18 22.850 0.392 7.838 1.00 1.97 C ATOM 2360 C1' DA C 18 23.189 1.407 6.753 1.00 1.82 C ATOM 2361 N9 DA C 18 23.699 0.792 5.497 1.00 1.66 N ATOM 2362 C8 DA C 18 24.521 -0.293 5.357 1.00 1.69 C ATOM 2363 N7 DA C 18 24.793 -0.583 4.121 1.00 1.57 N ATOM 2364 C5 DA C 18 24.093 0.365 3.396 1.00 1.44 C ATOM 2365 C6 DA C 18 23.970 0.603 2.011 1.00 1.32 C ATOM 2366 N6 DA C 18 24.575 -0.151 1.080 1.00 1.32 N ATOM 2367 N1 DA C 18 23.205 1.635 1.629 1.00 1.27 N ATOM 2368 C2 DA C 18 22.610 2.376 2.558 1.00 1.35 C ATOM 2369 N3 DA C 18 22.649 2.263 3.869 1.00 1.46 N ATOM 2370 C4 DA C 18 23.425 1.221 4.223 1.00 1.49 C ATOM 0 H5' DA C 18 26.518 1.688 8.050 1.00 2.21 H new ATOM 0 H5'' DA C 18 26.218 1.307 9.734 1.00 2.21 H new ATOM 0 H4' DA C 18 24.596 2.780 9.329 1.00 2.15 H new ATOM 0 H3' DA C 18 23.474 0.496 9.957 1.00 2.19 H new ATOM 0 H2' DA C 18 23.407 -0.537 7.716 1.00 1.97 H new ATOM 0 H2'' DA C 18 21.792 0.132 7.837 1.00 1.97 H new ATOM 0 H1' DA C 18 22.267 1.933 6.505 1.00 1.82 H new ATOM 0 H8 DA C 18 24.907 -0.855 6.195 1.00 1.69 H new ATOM 0 H61 DA C 18 24.453 0.065 0.091 1.00 1.32 H new ATOM 0 H62 DA C 18 25.157 -0.940 1.362 1.00 1.32 H new ATOM 0 H2 DA C 18 22.007 3.189 2.183 1.00 1.35 H new ATOM 2382 P DC C 19 20.683 1.432 9.438 1.00 2.21 P ATOM 2383 OP1 DC C 19 19.877 2.040 10.516 1.00 2.41 O ATOM 2384 OP2 DC C 19 20.703 -0.049 9.400 1.00 2.18 O ATOM 2385 O5' DC C 19 20.210 1.992 8.021 1.00 2.00 O ATOM 2386 C5' DC C 19 20.481 3.376 7.691 1.00 2.01 C ATOM 2387 C4' DC C 19 19.359 3.930 6.844 1.00 1.95 C ATOM 2388 O4' DC C 19 19.570 3.509 5.459 1.00 1.73 O ATOM 2389 C3' DC C 19 17.953 3.440 7.177 1.00 1.99 C ATOM 2390 O3' DC C 19 16.947 4.354 6.744 1.00 2.05 O ATOM 2391 C2' DC C 19 17.840 2.156 6.369 1.00 1.78 C ATOM 2392 C1' DC C 19 18.641 2.496 5.119 1.00 1.62 C ATOM 2393 N1 DC C 19 19.405 1.347 4.566 1.00 1.46 N ATOM 2394 C2 DC C 19 19.489 1.227 3.181 1.00 1.30 C ATOM 2395 O2 DC C 19 18.928 2.072 2.471 1.00 1.30 O ATOM 2396 N3 DC C 19 20.181 0.184 2.656 1.00 1.20 N ATOM 2397 C4 DC C 19 20.776 -0.712 3.450 1.00 1.28 C ATOM 2398 N4 DC C 19 21.442 -1.709 2.885 1.00 1.26 N ATOM 2399 C5 DC C 19 20.700 -0.615 4.876 1.00 1.46 C ATOM 2400 C6 DC C 19 20.005 0.439 5.380 1.00 1.54 C ATOM 0 H5' DC C 19 21.426 3.453 7.154 1.00 2.01 H new ATOM 0 H5'' DC C 19 20.584 3.963 8.603 1.00 2.01 H new ATOM 0 H4' DC C 19 19.397 5.004 7.029 1.00 1.95 H new ATOM 0 H3' DC C 19 17.808 3.320 8.251 1.00 1.99 H new ATOM 0 H2' DC C 19 18.258 1.301 6.901 1.00 1.78 H new ATOM 0 H2'' DC C 19 16.804 1.911 6.135 1.00 1.78 H new ATOM 0 H1' DC C 19 17.927 2.807 4.356 1.00 1.62 H new ATOM 0 H41 DC C 19 21.906 -2.407 3.467 1.00 1.26 H new ATOM 0 H42 DC C 19 21.491 -1.778 1.869 1.00 1.26 H new ATOM 0 H5 DC C 19 21.171 -1.343 5.520 1.00 1.46 H new ATOM 0 H6 DC C 19 19.928 0.557 6.451 1.00 1.54 H new ATOM 2412 P DG C 20 15.477 3.815 6.442 1.00 2.03 P ATOM 2413 OP1 DG C 20 14.487 4.865 6.754 1.00 2.23 O ATOM 2414 OP2 DG C 20 15.282 2.515 7.128 1.00 2.01 O ATOM 2415 O5' DG C 20 15.544 3.581 4.866 1.00 1.81 O ATOM 2416 C5' DG C 20 16.109 4.619 4.027 1.00 1.82 C ATOM 2417 C4' DG C 20 15.393 4.649 2.699 1.00 1.77 C ATOM 2418 O4' DG C 20 15.944 3.594 1.847 1.00 1.54 O ATOM 2419 C3' DG C 20 13.893 4.364 2.729 1.00 1.83 C ATOM 2420 O3' DG C 20 13.217 4.918 1.604 1.00 1.90 O ATOM 2421 C2' DG C 20 13.835 2.847 2.650 1.00 1.62 C ATOM 2422 C1' DG C 20 15.017 2.530 1.742 1.00 1.45 C ATOM 2423 N9 DG C 20 15.728 1.274 2.098 1.00 1.28 N ATOM 2424 C8 DG C 20 15.998 0.747 3.346 1.00 1.33 C ATOM 2425 N7 DG C 20 16.645 -0.390 3.316 1.00 1.22 N ATOM 2426 C5 DG C 20 16.825 -0.641 1.954 1.00 1.05 C ATOM 2427 C6 DG C 20 17.461 -1.721 1.302 1.00 0.94 C ATOM 2428 O6 DG C 20 18.013 -2.706 1.791 1.00 0.97 O ATOM 2429 N1 DG C 20 17.412 -1.576 -0.096 1.00 0.87 N ATOM 2430 C2 DG C 20 16.819 -0.527 -0.765 1.00 0.95 C ATOM 2431 N2 DG C 20 16.872 -0.571 -2.099 1.00 0.99 N ATOM 2432 N3 DG C 20 16.227 0.495 -0.151 1.00 1.07 N ATOM 2433 C4 DG C 20 16.265 0.377 1.203 1.00 1.10 C ATOM 0 H5' DG C 20 17.172 4.436 3.873 1.00 1.82 H new ATOM 0 H5'' DG C 20 16.020 5.587 4.520 1.00 1.82 H new ATOM 0 H4' DG C 20 15.538 5.671 2.349 1.00 1.77 H new ATOM 0 H3' DG C 20 13.414 4.795 3.608 1.00 1.83 H new ATOM 0 H2' DG C 20 13.939 2.383 3.631 1.00 1.62 H new ATOM 0 H2'' DG C 20 12.892 2.496 2.230 1.00 1.62 H new ATOM 0 H1' DG C 20 14.621 2.403 0.735 1.00 1.45 H new ATOM 0 H8 DG C 20 15.701 1.231 4.265 1.00 1.33 H new ATOM 0 H1 DG C 20 17.850 -2.305 -0.659 1.00 0.87 H new ATOM 0 H21 DG C 20 16.451 0.176 -2.651 1.00 0.99 H new ATOM 0 H22 DG C 20 17.333 -1.352 -2.566 1.00 0.99 H new ATOM 2445 P DT C 21 11.842 4.272 1.119 1.00 1.90 P ATOM 2446 OP1 DT C 21 10.976 5.317 0.539 1.00 2.12 O ATOM 2447 OP2 DT C 21 11.255 3.486 2.233 1.00 1.88 O ATOM 2448 O5' DT C 21 12.343 3.279 -0.022 1.00 1.69 O ATOM 2449 C5' DT C 21 13.286 3.769 -1.009 1.00 1.70 C ATOM 2450 C4' DT C 21 13.016 3.116 -2.344 1.00 1.66 C ATOM 2451 O4' DT C 21 13.629 1.787 -2.346 1.00 1.42 O ATOM 2452 C3' DT C 21 11.552 2.855 -2.687 1.00 1.74 C ATOM 2453 O3' DT C 21 11.338 2.756 -4.093 1.00 1.83 O ATOM 2454 C2' DT C 21 11.289 1.501 -2.047 1.00 1.53 C ATOM 2455 C1' DT C 21 12.626 0.796 -2.235 1.00 1.33 C ATOM 2456 N1 DT C 21 12.996 -0.099 -1.104 1.00 1.14 N ATOM 2457 C2 DT C 21 13.629 -1.283 -1.419 1.00 0.96 C ATOM 2458 O2 DT C 21 13.888 -1.608 -2.564 1.00 0.97 O ATOM 2459 N3 DT C 21 13.955 -2.081 -0.341 1.00 0.84 N ATOM 2460 C4 DT C 21 13.707 -1.811 0.986 1.00 0.94 C ATOM 2461 O4 DT C 21 14.046 -2.609 1.869 1.00 0.94 O ATOM 2462 C5 DT C 21 13.037 -0.554 1.218 1.00 1.13 C ATOM 2463 C7 DT C 21 12.755 -0.214 2.652 1.00 1.30 C ATOM 2464 C6 DT C 21 12.710 0.254 0.191 1.00 1.22 C ATOM 0 H5' DT C 21 14.306 3.555 -0.689 1.00 1.70 H new ATOM 0 H5'' DT C 21 13.201 4.852 -1.100 1.00 1.70 H new ATOM 0 H4' DT C 21 13.414 3.828 -3.068 1.00 1.66 H new ATOM 0 H3' DT C 21 10.903 3.659 -2.340 1.00 1.74 H new ATOM 0 H2' DT C 21 11.021 1.593 -0.995 1.00 1.53 H new ATOM 0 H2'' DT C 21 10.475 0.969 -2.539 1.00 1.53 H new ATOM 0 H1' DT C 21 12.538 0.174 -3.125 1.00 1.33 H new ATOM 0 H3 DT C 21 14.428 -2.961 -0.549 1.00 0.84 H new ATOM 0 H71 DT C 21 12.610 -1.132 3.222 1.00 1.30 H new ATOM 0 H72 DT C 21 13.596 0.341 3.067 1.00 1.30 H new ATOM 0 H73 DT C 21 11.854 0.396 2.711 1.00 1.30 H new ATOM 0 H6 DT C 21 12.216 1.193 0.390 1.00 1.22 H new ATOM 2477 P DT C 22 10.089 1.927 -4.639 1.00 1.85 P ATOM 2478 OP1 DT C 22 9.608 2.523 -5.902 1.00 2.09 O ATOM 2479 OP2 DT C 22 9.082 1.793 -3.560 1.00 1.83 O ATOM 2480 O5' DT C 22 10.755 0.505 -4.926 1.00 1.63 O ATOM 2481 C5' DT C 22 12.013 0.454 -5.642 1.00 1.63 C ATOM 2482 C4' DT C 22 12.060 -0.786 -6.503 1.00 1.59 C ATOM 2483 O4' DT C 22 12.436 -1.924 -5.665 1.00 1.34 O ATOM 2484 C3' DT C 22 10.745 -1.213 -7.150 1.00 1.69 C ATOM 2485 O3' DT C 22 10.953 -2.006 -8.317 1.00 1.79 O ATOM 2486 C2' DT C 22 10.099 -2.069 -6.073 1.00 1.48 C ATOM 2487 C1' DT C 22 11.306 -2.746 -5.436 1.00 1.26 C ATOM 2488 N1 DT C 22 11.179 -2.947 -3.969 1.00 1.06 N ATOM 2489 C2 DT C 22 11.689 -4.115 -3.444 1.00 0.86 C ATOM 2490 O2 DT C 22 12.228 -4.966 -4.131 1.00 0.87 O ATOM 2491 N3 DT C 22 11.549 -4.260 -2.079 1.00 0.72 N ATOM 2492 C4 DT C 22 10.958 -3.366 -1.215 1.00 0.82 C ATOM 2493 O4 DT C 22 10.891 -3.605 -0.005 1.00 0.82 O ATOM 2494 C5 DT C 22 10.449 -2.175 -1.852 1.00 1.04 C ATOM 2495 C7 DT C 22 9.805 -1.168 -0.947 1.00 1.21 C ATOM 2496 C6 DT C 22 10.574 -1.998 -3.182 1.00 1.13 C ATOM 0 H5' DT C 22 12.844 0.450 -4.937 1.00 1.63 H new ATOM 0 H5'' DT C 22 12.126 1.343 -6.262 1.00 1.63 H new ATOM 0 H4' DT C 22 12.761 -0.525 -7.296 1.00 1.59 H new ATOM 0 H3' DT C 22 10.151 -0.357 -7.470 1.00 1.69 H new ATOM 0 H2' DT C 22 9.542 -1.468 -5.354 1.00 1.48 H new ATOM 0 H2'' DT C 22 9.400 -2.793 -6.492 1.00 1.48 H new ATOM 0 H1' DT C 22 11.394 -3.734 -5.888 1.00 1.26 H new ATOM 0 H3 DT C 22 11.921 -5.116 -1.669 1.00 0.72 H new ATOM 0 H71 DT C 22 9.357 -1.679 -0.095 1.00 1.21 H new ATOM 0 H72 DT C 22 10.557 -0.463 -0.593 1.00 1.21 H new ATOM 0 H73 DT C 22 9.032 -0.629 -1.494 1.00 1.21 H new ATOM 0 H6 DT C 22 10.192 -1.096 -3.636 1.00 1.13 H new ATOM 2509 P DA C 23 9.815 -3.022 -8.784 1.00 1.82 P ATOM 2510 OP1 DA C 23 9.832 -3.150 -10.254 1.00 2.06 O ATOM 2511 OP2 DA C 23 8.521 -2.617 -8.182 1.00 1.81 O ATOM 2512 O5' DA C 23 10.309 -4.382 -8.112 1.00 1.58 O ATOM 2513 C5' DA C 23 11.702 -4.761 -8.247 1.00 1.56 C ATOM 2514 C4' DA C 23 11.817 -6.264 -8.336 1.00 1.53 C ATOM 2515 O4' DA C 23 11.745 -6.821 -6.984 1.00 1.27 O ATOM 2516 C3' DA C 23 10.709 -6.985 -9.100 1.00 1.64 C ATOM 2517 O3' DA C 23 11.132 -8.251 -9.599 1.00 1.73 O ATOM 2518 C2' DA C 23 9.646 -7.197 -8.034 1.00 1.44 C ATOM 2519 C1' DA C 23 10.488 -7.441 -6.789 1.00 1.21 C ATOM 2520 N9 DA C 23 9.895 -6.880 -5.545 1.00 1.01 N ATOM 2521 C8 DA C 23 9.207 -5.708 -5.387 1.00 1.06 C ATOM 2522 N7 DA C 23 8.816 -5.494 -4.165 1.00 0.92 N ATOM 2523 C5 DA C 23 9.267 -6.605 -3.475 1.00 0.72 C ATOM 2524 C6 DA C 23 9.174 -6.985 -2.120 1.00 0.57 C ATOM 2525 N6 DA C 23 8.552 -6.240 -1.190 1.00 0.64 N ATOM 2526 N1 DA C 23 9.739 -8.148 -1.765 1.00 0.51 N ATOM 2527 C2 DA C 23 10.352 -8.878 -2.693 1.00 0.61 C ATOM 2528 N3 DA C 23 10.512 -8.634 -3.974 1.00 0.75 N ATOM 2529 C4 DA C 23 9.936 -7.461 -4.302 1.00 0.79 C ATOM 0 H5' DA C 23 12.273 -4.393 -7.394 1.00 1.56 H new ATOM 0 H5'' DA C 23 12.129 -4.301 -9.138 1.00 1.56 H new ATOM 0 H4' DA C 23 12.755 -6.421 -8.868 1.00 1.53 H new ATOM 0 H3' DA C 23 10.379 -6.417 -9.970 1.00 1.64 H new ATOM 0 H2' DA C 23 8.999 -6.327 -7.925 1.00 1.44 H new ATOM 0 H2'' DA C 23 9.002 -8.046 -8.264 1.00 1.44 H new ATOM 0 H1' DA C 23 10.558 -8.521 -6.657 1.00 1.21 H new ATOM 0 H8 DA C 23 9.007 -5.025 -6.200 1.00 1.06 H new ATOM 0 H61 DA C 23 8.513 -6.560 -0.222 1.00 0.64 H new ATOM 0 H62 DA C 23 8.119 -5.354 -1.452 1.00 0.64 H new ATOM 0 H2 DA C 23 10.780 -9.806 -2.343 1.00 0.61 H new ATOM 2541 P DT C 24 10.048 -9.387 -9.873 1.00 1.76 P ATOM 2542 OP1 DT C 24 10.487 -10.233 -11.002 1.00 2.00 O ATOM 2543 OP2 DT C 24 8.711 -8.761 -10.015 1.00 1.77 O ATOM 2544 O5' DT C 24 10.104 -10.217 -8.513 1.00 1.53 O ATOM 2545 C5' DT C 24 11.398 -10.583 -7.971 1.00 1.51 C ATOM 2546 C4' DT C 24 11.303 -11.928 -7.289 1.00 1.48 C ATOM 2547 O4' DT C 24 10.744 -11.732 -5.950 1.00 1.23 O ATOM 2548 C3' DT C 24 10.379 -12.955 -7.939 1.00 1.60 C ATOM 2549 O3' DT C 24 10.735 -14.291 -7.593 1.00 1.69 O ATOM 2550 C2' DT C 24 9.026 -12.626 -7.329 1.00 1.40 C ATOM 2551 C1' DT C 24 9.407 -12.196 -5.918 1.00 1.18 C ATOM 2552 N1 DT C 24 8.560 -11.101 -5.376 1.00 0.99 N ATOM 2553 C2 DT C 24 8.236 -11.158 -4.037 1.00 0.79 C ATOM 2554 O2 DT C 24 8.613 -12.054 -3.304 1.00 0.82 O ATOM 2555 N3 DT C 24 7.450 -10.120 -3.576 1.00 0.67 N ATOM 2556 C4 DT C 24 6.969 -9.063 -4.313 1.00 0.77 C ATOM 2557 O4 DT C 24 6.269 -8.190 -3.787 1.00 0.78 O ATOM 2558 C5 DT C 24 7.355 -9.088 -5.703 1.00 0.99 C ATOM 2559 C7 DT C 24 6.860 -7.951 -6.546 1.00 1.18 C ATOM 2560 C6 DT C 24 8.127 -10.082 -6.189 1.00 1.07 C ATOM 0 H5' DT C 24 11.732 -9.827 -7.260 1.00 1.51 H new ATOM 0 H5'' DT C 24 12.140 -10.621 -8.769 1.00 1.51 H new ATOM 0 H4' DT C 24 12.321 -12.315 -7.330 1.00 1.48 H new ATOM 0 H3' DT C 24 10.415 -12.906 -9.027 1.00 1.60 H new ATOM 0 H2' DT C 24 8.516 -11.831 -7.873 1.00 1.40 H new ATOM 0 H2'' DT C 24 8.360 -13.489 -7.326 1.00 1.40 H new ATOM 0 H1' DT C 24 9.269 -13.062 -5.271 1.00 1.18 H new ATOM 0 H3 DT C 24 7.201 -10.139 -2.587 1.00 0.67 H new ATOM 0 H71 DT C 24 5.907 -7.595 -6.154 1.00 1.18 H new ATOM 0 H72 DT C 24 7.587 -7.139 -6.525 1.00 1.18 H new ATOM 0 H73 DT C 24 6.725 -8.291 -7.573 1.00 1.18 H new ATOM 0 H6 DT C 24 8.408 -10.076 -7.232 1.00 1.07 H new ATOM 2573 P DA C 25 9.624 -15.435 -7.641 1.00 1.73 P ATOM 2574 OP1 DA C 25 10.248 -16.723 -8.003 1.00 1.96 O ATOM 2575 OP2 DA C 25 8.503 -14.991 -8.504 1.00 1.74 O ATOM 2576 O5' DA C 25 9.141 -15.470 -6.121 1.00 1.52 O ATOM 2577 C5' DA C 25 10.141 -15.490 -5.071 1.00 1.50 C ATOM 2578 C4' DA C 25 9.641 -16.312 -3.905 1.00 1.49 C ATOM 2579 O4' DA C 25 8.741 -15.484 -3.101 1.00 1.26 O ATOM 2580 C3' DA C 25 8.810 -17.545 -4.252 1.00 1.62 C ATOM 2581 O3' DA C 25 8.838 -18.521 -3.215 1.00 1.72 O ATOM 2582 C2' DA C 25 7.402 -16.982 -4.373 1.00 1.43 C ATOM 2583 C1' DA C 25 7.403 -15.896 -3.304 1.00 1.22 C ATOM 2584 N9 DA C 25 6.609 -14.693 -3.672 1.00 1.02 N ATOM 2585 C8 DA C 25 6.487 -14.101 -4.901 1.00 1.06 C ATOM 2586 N7 DA C 25 5.719 -13.051 -4.898 1.00 0.94 N ATOM 2587 C5 DA C 25 5.297 -12.954 -3.586 1.00 0.78 C ATOM 2588 C6 DA C 25 4.454 -12.037 -2.925 1.00 0.68 C ATOM 2589 N6 DA C 25 3.856 -11.008 -3.549 1.00 0.74 N ATOM 2590 N1 DA C 25 4.251 -12.219 -1.611 1.00 0.65 N ATOM 2591 C2 DA C 25 4.847 -13.242 -1.004 1.00 0.74 C ATOM 2592 N3 DA C 25 5.653 -14.155 -1.502 1.00 0.84 N ATOM 2593 C4 DA C 25 5.839 -13.945 -2.818 1.00 0.85 C ATOM 0 H5' DA C 25 10.359 -14.473 -4.744 1.00 1.50 H new ATOM 0 H5'' DA C 25 11.073 -15.910 -5.451 1.00 1.50 H new ATOM 0 H4' DA C 25 10.553 -16.645 -3.410 1.00 1.49 H new ATOM 0 H3' DA C 25 9.179 -18.048 -5.146 1.00 1.62 H new ATOM 0 H2' DA C 25 7.208 -16.577 -5.366 1.00 1.43 H new ATOM 0 H2'' DA C 25 6.642 -17.740 -4.184 1.00 1.43 H new ATOM 0 H1' DA C 25 6.947 -16.325 -2.412 1.00 1.22 H new ATOM 0 H8 DA C 25 6.981 -14.470 -5.788 1.00 1.06 H new ATOM 0 H61 DA C 25 3.255 -10.373 -3.024 1.00 0.74 H new ATOM 0 H62 DA C 25 4.003 -10.862 -4.548 1.00 0.74 H new ATOM 0 H2 DA C 25 4.639 -13.337 0.051 1.00 0.74 H new ATOM 2605 P DT C 26 7.631 -19.555 -3.081 1.00 1.77 P ATOM 2606 OP1 DT C 26 8.131 -20.840 -2.551 1.00 2.01 O ATOM 2607 OP2 DT C 26 6.902 -19.627 -4.370 1.00 1.77 O ATOM 2608 O5' DT C 26 6.713 -18.834 -1.995 1.00 1.58 O ATOM 2609 C5' DT C 26 7.336 -18.307 -0.797 1.00 1.57 C ATOM 2610 C4' DT C 26 6.391 -18.443 0.374 1.00 1.58 C ATOM 2611 O4' DT C 26 5.427 -17.343 0.329 1.00 1.35 O ATOM 2612 C3' DT C 26 5.524 -19.699 0.401 1.00 1.70 C ATOM 2613 O3' DT C 26 5.088 -20.025 1.719 1.00 1.82 O ATOM 2614 C2' DT C 26 4.322 -19.301 -0.438 1.00 1.52 C ATOM 2615 C1' DT C 26 4.166 -17.826 -0.090 1.00 1.32 C ATOM 2616 N1 DT C 26 3.713 -16.986 -1.232 1.00 1.13 N ATOM 2617 C2 DT C 26 2.829 -15.964 -0.950 1.00 0.98 C ATOM 2618 O2 DT C 26 2.421 -15.738 0.174 1.00 1.02 O ATOM 2619 N3 DT C 26 2.437 -15.209 -2.037 1.00 0.87 N ATOM 2620 C4 DT C 26 2.835 -15.383 -3.344 1.00 0.92 C ATOM 2621 O4 DT C 26 2.412 -14.639 -4.237 1.00 0.93 O ATOM 2622 C5 DT C 26 3.754 -16.477 -3.542 1.00 1.08 C ATOM 2623 C7 DT C 26 4.221 -16.698 -4.951 1.00 1.23 C ATOM 2624 C6 DT C 26 4.165 -17.231 -2.505 1.00 1.17 C ATOM 0 H5' DT C 26 7.599 -17.260 -0.944 1.00 1.57 H new ATOM 0 H5'' DT C 26 8.263 -18.843 -0.592 1.00 1.57 H new ATOM 0 H4' DT C 26 7.052 -18.464 1.240 1.00 1.58 H new ATOM 0 H3' DT C 26 6.064 -20.574 0.039 1.00 1.70 H new ATOM 0 H2' DT C 26 4.500 -19.452 -1.503 1.00 1.52 H new ATOM 0 H2'' DT C 26 3.434 -19.878 -0.178 1.00 1.52 H new ATOM 0 H1' DT C 26 3.402 -17.757 0.684 1.00 1.32 H new ATOM 0 H3 DT C 26 1.787 -14.445 -1.854 1.00 0.87 H new ATOM 0 H71 DT C 26 3.443 -16.382 -5.646 1.00 1.23 H new ATOM 0 H72 DT C 26 5.125 -16.117 -5.130 1.00 1.23 H new ATOM 0 H73 DT C 26 4.434 -17.756 -5.102 1.00 1.23 H new ATOM 0 H6 DT C 26 4.860 -18.040 -2.677 1.00 1.17 H new ATOM 2637 P DT C 27 3.755 -20.876 1.917 1.00 1.88 P ATOM 2638 OP1 DT C 27 3.870 -21.712 3.128 1.00 2.12 O ATOM 2639 OP2 DT C 27 3.447 -21.599 0.659 1.00 1.87 O ATOM 2640 O5' DT C 27 2.674 -19.726 2.145 1.00 1.69 O ATOM 2641 C5' DT C 27 2.980 -18.656 3.075 1.00 1.68 C ATOM 2642 C4' DT C 27 1.717 -18.208 3.770 1.00 1.69 C ATOM 2643 O4' DT C 27 0.992 -17.297 2.884 1.00 1.47 O ATOM 2644 C3' DT C 27 0.701 -19.298 4.103 1.00 1.82 C ATOM 2645 O3' DT C 27 -0.155 -18.928 5.179 1.00 1.93 O ATOM 2646 C2' DT C 27 -0.118 -19.397 2.825 1.00 1.65 C ATOM 2647 C1' DT C 27 -0.143 -17.950 2.350 1.00 1.45 C ATOM 2648 N1 DT C 27 -0.098 -17.803 0.870 1.00 1.27 N ATOM 2649 C2 DT C 27 -0.859 -16.797 0.312 1.00 1.14 C ATOM 2650 O2 DT C 27 -1.547 -16.045 0.979 1.00 1.18 O ATOM 2651 N3 DT C 27 -0.786 -16.697 -1.062 1.00 1.03 N ATOM 2652 C4 DT C 27 -0.045 -17.494 -1.906 1.00 1.07 C ATOM 2653 O4 DT C 27 -0.061 -17.308 -3.128 1.00 1.06 O ATOM 2654 C5 DT C 27 0.714 -18.520 -1.234 1.00 1.21 C ATOM 2655 C7 DT C 27 1.542 -19.408 -2.114 1.00 1.33 C ATOM 2656 C6 DT C 27 0.674 -18.646 0.107 1.00 1.30 C ATOM 0 H5' DT C 27 3.431 -17.818 2.544 1.00 1.68 H new ATOM 0 H5'' DT C 27 3.709 -18.997 3.810 1.00 1.68 H new ATOM 0 H4' DT C 27 2.075 -17.780 4.706 1.00 1.69 H new ATOM 0 H3' DT C 27 1.185 -20.225 4.412 1.00 1.82 H new ATOM 0 H2' DT C 27 0.346 -20.058 2.093 1.00 1.65 H new ATOM 0 H2'' DT C 27 -1.120 -19.782 3.012 1.00 1.65 H new ATOM 0 H1' DT C 27 -1.085 -17.518 2.688 1.00 1.45 H new ATOM 0 H3 DT C 27 -1.337 -15.957 -1.497 1.00 1.03 H new ATOM 0 H71 DT C 27 1.065 -19.500 -3.090 1.00 1.33 H new ATOM 0 H72 DT C 27 2.536 -18.976 -2.235 1.00 1.33 H new ATOM 0 H73 DT C 27 1.628 -20.394 -1.658 1.00 1.33 H new ATOM 0 H6 DT C 27 1.256 -19.419 0.588 1.00 1.30 H new ATOM 2669 P DG C 28 -1.599 -19.593 5.296 1.00 1.99 P ATOM 2670 OP1 DG C 28 -1.983 -19.704 6.719 1.00 2.23 O ATOM 2671 OP2 DG C 28 -1.621 -20.854 4.518 1.00 1.99 O ATOM 2672 O5' DG C 28 -2.509 -18.505 4.570 1.00 1.81 O ATOM 2673 C5' DG C 28 -2.337 -17.107 4.915 1.00 1.79 C ATOM 2674 C4' DG C 28 -3.669 -16.395 4.841 1.00 1.80 C ATOM 2675 O4' DG C 28 -3.945 -16.066 3.442 1.00 1.60 O ATOM 2676 C3' DG C 28 -4.891 -17.193 5.290 1.00 1.93 C ATOM 2677 O3' DG C 28 -5.964 -16.349 5.699 1.00 2.04 O ATOM 2678 C2' DG C 28 -5.293 -17.935 4.025 1.00 1.78 C ATOM 2679 C1' DG C 28 -4.954 -16.921 2.941 1.00 1.59 C ATOM 2680 N9 DG C 28 -4.443 -17.535 1.684 1.00 1.43 N ATOM 2681 C8 DG C 28 -3.616 -18.625 1.519 1.00 1.44 C ATOM 2682 N7 DG C 28 -3.354 -18.914 0.270 1.00 1.33 N ATOM 2683 C5 DG C 28 -4.054 -17.946 -0.454 1.00 1.24 C ATOM 2684 C6 DG C 28 -4.154 -17.744 -1.849 1.00 1.17 C ATOM 2685 O6 DG C 28 -3.636 -18.383 -2.764 1.00 1.18 O ATOM 2686 N1 DG C 28 -4.974 -16.642 -2.152 1.00 1.19 N ATOM 2687 C2 DG C 28 -5.615 -15.852 -1.219 1.00 1.27 C ATOM 2688 N2 DG C 28 -6.356 -14.853 -1.704 1.00 1.35 N ATOM 2689 N3 DG C 28 -5.516 -16.038 0.096 1.00 1.33 N ATOM 2690 C4 DG C 28 -4.724 -17.097 0.410 1.00 1.31 C ATOM 0 H5' DG C 28 -1.626 -16.639 4.234 1.00 1.79 H new ATOM 0 H5'' DG C 28 -1.922 -17.019 5.919 1.00 1.79 H new ATOM 0 H4' DG C 28 -3.550 -15.548 5.517 1.00 1.80 H new ATOM 0 H3' DG C 28 -4.670 -17.832 6.145 1.00 1.93 H new ATOM 0 H2' DG C 28 -4.736 -18.864 3.903 1.00 1.78 H new ATOM 0 H2'' DG C 28 -6.352 -18.195 4.024 1.00 1.78 H new ATOM 0 H1' DG C 28 -5.877 -16.397 2.695 1.00 1.59 H new ATOM 0 H8 DG C 28 -3.219 -19.191 2.348 1.00 1.44 H new ATOM 0 H1 DG C 28 -5.105 -16.409 -3.136 1.00 1.19 H new ATOM 0 H21 DG C 28 -6.855 -14.233 -1.067 1.00 1.35 H new ATOM 0 H22 DG C 28 -6.423 -14.710 -2.712 1.00 1.35 H new ATOM 2702 P DT C 29 -7.460 -16.894 5.625 1.00 2.11 P ATOM 2703 OP1 DT C 29 -8.266 -16.286 6.703 1.00 2.33 O ATOM 2704 OP2 DT C 29 -7.439 -18.377 5.588 1.00 2.12 O ATOM 2705 O5' DT C 29 -7.932 -16.335 4.209 1.00 1.95 O ATOM 2706 C5' DT C 29 -7.662 -14.951 3.878 1.00 1.92 C ATOM 2707 C4' DT C 29 -8.783 -14.398 3.031 1.00 1.94 C ATOM 2708 O4' DT C 29 -8.573 -14.819 1.646 1.00 1.76 O ATOM 2709 C3' DT C 29 -10.191 -14.887 3.365 1.00 2.08 C ATOM 2710 O3' DT C 29 -11.196 -13.972 2.931 1.00 2.19 O ATOM 2711 C2' DT C 29 -10.302 -16.171 2.556 1.00 1.95 C ATOM 2712 C1' DT C 29 -9.501 -15.831 1.307 1.00 1.77 C ATOM 2713 N1 DT C 29 -8.737 -16.980 0.753 1.00 1.62 N ATOM 2714 C2 DT C 29 -8.663 -17.087 -0.621 1.00 1.52 C ATOM 2715 O2 DT C 29 -9.190 -16.285 -1.373 1.00 1.57 O ATOM 2716 N3 DT C 29 -7.943 -18.168 -1.089 1.00 1.43 N ATOM 2717 C4 DT C 29 -7.313 -19.127 -0.333 1.00 1.45 C ATOM 2718 O4 DT C 29 -6.697 -20.055 -0.869 1.00 1.42 O ATOM 2719 C5 DT C 29 -7.449 -18.939 1.092 1.00 1.56 C ATOM 2720 C7 DT C 29 -6.771 -19.958 1.958 1.00 1.65 C ATOM 2721 C6 DT C 29 -8.139 -17.891 1.588 1.00 1.64 C ATOM 0 H5' DT C 29 -6.717 -14.874 3.341 1.00 1.92 H new ATOM 0 H5'' DT C 29 -7.559 -14.363 4.790 1.00 1.92 H new ATOM 0 H4' DT C 29 -8.744 -13.324 3.215 1.00 1.94 H new ATOM 0 H3' DT C 29 -10.338 -15.007 4.438 1.00 2.08 H new ATOM 0 H2' DT C 29 -9.884 -17.026 3.088 1.00 1.95 H new ATOM 0 H2'' DT C 29 -11.338 -16.417 2.322 1.00 1.95 H new ATOM 0 HO3' DT C 29 -12.081 -14.324 3.163 1.00 2.19 H new ATOM 0 H1' DT C 29 -10.215 -15.520 0.544 1.00 1.77 H new ATOM 0 H3 DT C 29 -7.871 -18.265 -2.102 1.00 1.43 H new ATOM 0 H71 DT C 29 -6.743 -20.916 1.439 1.00 1.65 H new ATOM 0 H72 DT C 29 -5.753 -19.633 2.174 1.00 1.65 H new ATOM 0 H73 DT C 29 -7.323 -20.067 2.892 1.00 1.65 H new ATOM 0 H6 DT C 29 -8.222 -17.767 2.658 1.00 1.64 H new TER 2735 DT C 29