USER MOD reduce.3.24.130724 H: found=0, std=0, add=1241, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1243 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 LYS NZ :NH3+ 140:sc= -1.03! (180deg=-1.02) USER MOD Set 1.2: A 71 THR OG1 : rot -37:sc= 0.458 USER MOD Set 1.3: C 21 DT C7 :methyl 150:sc= -5.95! (180deg=-5.85!) USER MOD Set 2.1: A 70 SER OG : rot 160:sc= -0.203 USER MOD Set 2.2: B 8 DT C7 :methyl -30:sc= -5.17! (180deg=-6.2!) USER MOD Set 3.1: A 76 CYS SG : rot -141:sc= 0.166 USER MOD Set 3.2: B 6 DT C7 :methyl -30:sc= -6.46! (180deg=-7.96!) USER MOD Set 4.1: A 72 SER OG : rot -110:sc= -1.09 USER MOD Set 4.2: A 75 THR OG1 : rot -130:sc= 0 USER MOD Set 4.3: C 22 DT C7 :methyl -30:sc= -4.33! (180deg=-6.85!) USER MOD Set 5.1: A 56 GLN :FLIP amide:sc= -0.345 F(o=-3.4!,f=-0.43) USER MOD Set 5.2: A 59 HIS :FLIP no HD1:sc= -0.0881 X(o=-0.72,f=-0.43) USER MOD Set 6.1: A 50 THR OG1 : rot 91:sc= 0.56 USER MOD Set 6.2: A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 7.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 7.2: A 16 LYS NZ :NH3+ 171:sc= 1.27 (180deg=1.24) USER MOD Single : A 1 ARG N :NH3+ -161:sc= 1.07 (180deg=0.532) USER MOD Single : A 5 GLN : amide:sc= 1.25 K(o=1.2,f=-7.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0.0145 USER MOD Single : A 15 MET CE :methyl -116:sc= -1.85! (180deg=-3.23!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 69:sc= 0.183 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 152:sc= -0.122 (180deg=-0.696) USER MOD Single : A 32 GLN : amide:sc= -1.38 K(o=-1.4,f=-3!) USER MOD Single : A 34 ASN : amide:sc= 0.146 X(o=0.15,f=0) USER MOD Single : A 37 THR OG1 : rot -1:sc= 0.0436 USER MOD Single : A 38 MET CE :methyl 153:sc= -0.0913 (180deg=-1.23) USER MOD Single : A 40 GLN : amide:sc= 0.0338 X(o=0.034,f=-0.025) USER MOD Single : A 43 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.19) USER MOD Single : A 44 LYS NZ :NH3+ -151:sc= 0.611 (180deg=-0.672!) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.108 USER MOD Single : A 52 THR OG1 : rot 78:sc= 0.611 USER MOD Single : A 61 TYR OH : rot 180:sc= 0.793 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -5.73! C(o=-6.8!,f=-5.7!) USER MOD Single : A 81 TYR OH : rot 13:sc= 1.3 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -172:sc= 1.26 (180deg=1.07) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.478) USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 13 DT C7 :methyl -30:sc= -3.77! (180deg=-5.1!) USER MOD Single : B 15 DG O3' : rot 180:sc= 0 USER MOD Single : C 24 DT C7 :methyl -30:sc= -3.85! (180deg=-5.11!) USER MOD Single : C 26 DT C7 :methyl -30:sc= -3.86! (180deg=-5.11!) USER MOD Single : C 27 DT C7 :methyl -30:sc= -4.13! (180deg=-5.07!) USER MOD Single : C 29 DT C7 :methyl -30:sc= -3.76! (180deg=-5.07!) USER MOD Single : C 29 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -13.754 10.588 12.045 1.00 1.75 N ATOM 2 CA ARG A 1 -13.970 9.124 12.210 1.00 1.74 C ATOM 3 C ARG A 1 -15.302 8.640 11.632 1.00 1.77 C ATOM 4 O ARG A 1 -15.335 7.792 10.730 1.00 1.74 O ATOM 5 CB ARG A 1 -13.756 8.704 13.685 1.00 1.77 C ATOM 6 CG ARG A 1 -13.759 7.181 13.928 1.00 1.77 C ATOM 7 CD ARG A 1 -15.121 6.658 14.408 1.00 1.83 C ATOM 8 NE ARG A 1 -15.125 5.191 14.511 1.00 1.84 N ATOM 9 CZ ARG A 1 -14.793 4.433 15.535 1.00 1.86 C ATOM 10 NH1 ARG A 1 -14.386 4.917 16.672 1.00 1.89 N ATOM 11 NH2 ARG A 1 -14.877 3.145 15.402 1.00 1.87 N ATOM 0 H1 ARG A 1 -12.742 10.804 12.150 1.00 1.75 H new ATOM 0 H2 ARG A 1 -14.074 10.882 11.100 1.00 1.75 H new ATOM 0 H3 ARG A 1 -14.295 11.102 12.769 1.00 1.75 H new ATOM 0 HA ARG A 1 -13.214 8.614 11.612 1.00 1.74 H new ATOM 0 HB2 ARG A 1 -12.806 9.111 14.030 1.00 1.77 H new ATOM 0 HB3 ARG A 1 -14.538 9.157 14.295 1.00 1.77 H new ATOM 0 HG2 ARG A 1 -13.483 6.670 13.006 1.00 1.77 H new ATOM 0 HG3 ARG A 1 -12.998 6.934 14.669 1.00 1.77 H new ATOM 0 HD2 ARG A 1 -15.358 7.093 15.379 1.00 1.83 H new ATOM 0 HD3 ARG A 1 -15.900 6.978 13.716 1.00 1.83 H new ATOM 0 HE ARG A 1 -15.426 4.692 13.674 1.00 1.84 H new ATOM 0 HH11 ARG A 1 -14.313 5.926 16.800 1.00 1.89 H new ATOM 0 HH12 ARG A 1 -14.140 4.287 17.436 1.00 1.89 H new ATOM 0 HH21 ARG A 1 -15.194 2.743 14.520 1.00 1.87 H new ATOM 0 HH22 ARG A 1 -14.626 2.535 16.180 1.00 1.87 H new ATOM 27 N ALA A 2 -16.417 9.140 12.174 1.00 1.84 N ATOM 28 CA ALA A 2 -17.745 8.597 11.873 1.00 1.89 C ATOM 29 C ALA A 2 -18.170 8.785 10.407 1.00 1.88 C ATOM 30 O ALA A 2 -18.765 7.886 9.818 1.00 1.89 O ATOM 31 CB ALA A 2 -18.758 9.231 12.835 1.00 1.97 C ATOM 0 H ALA A 2 -16.425 9.924 12.827 1.00 1.84 H new ATOM 0 HA ALA A 2 -17.708 7.517 12.017 1.00 1.89 H new ATOM 0 HB1 ALA A 2 -19.753 8.839 12.626 1.00 1.97 H new ATOM 0 HB2 ALA A 2 -18.482 8.993 13.862 1.00 1.97 H new ATOM 0 HB3 ALA A 2 -18.759 10.313 12.701 1.00 1.97 H new ATOM 37 N ASP A 3 -17.816 9.919 9.797 1.00 1.87 N ATOM 38 CA ASP A 3 -18.135 10.188 8.390 1.00 1.88 C ATOM 39 C ASP A 3 -17.277 9.369 7.410 1.00 1.81 C ATOM 40 O ASP A 3 -17.781 8.964 6.365 1.00 1.82 O ATOM 41 CB ASP A 3 -17.965 11.691 8.131 1.00 1.90 C ATOM 42 CG ASP A 3 -18.482 12.103 6.743 1.00 1.92 C ATOM 43 OD1 ASP A 3 -19.712 12.022 6.508 1.00 1.98 O ATOM 44 OD2 ASP A 3 -17.670 12.557 5.902 1.00 1.89 O ATOM 0 H ASP A 3 -17.305 10.671 10.258 1.00 1.87 H new ATOM 0 HA ASP A 3 -19.166 9.881 8.212 1.00 1.88 H new ATOM 0 HB2 ASP A 3 -18.499 12.253 8.897 1.00 1.90 H new ATOM 0 HB3 ASP A 3 -16.911 11.956 8.218 1.00 1.90 H new ATOM 49 N GLU A 4 -16.028 9.043 7.776 1.00 1.74 N ATOM 50 CA GLU A 4 -15.195 8.149 6.959 1.00 1.68 C ATOM 51 C GLU A 4 -15.785 6.740 6.996 1.00 1.69 C ATOM 52 O GLU A 4 -15.991 6.120 5.954 1.00 1.68 O ATOM 53 CB GLU A 4 -13.747 8.112 7.472 1.00 1.62 C ATOM 54 CG GLU A 4 -13.050 9.480 7.501 1.00 1.61 C ATOM 55 CD GLU A 4 -13.128 10.117 8.899 1.00 1.65 C ATOM 56 OE1 GLU A 4 -14.213 10.592 9.315 1.00 1.71 O ATOM 57 OE2 GLU A 4 -12.119 10.101 9.639 1.00 1.62 O ATOM 0 H GLU A 4 -15.576 9.382 8.625 1.00 1.74 H new ATOM 0 HA GLU A 4 -15.183 8.527 5.937 1.00 1.68 H new ATOM 0 HB2 GLU A 4 -13.741 7.693 8.478 1.00 1.62 H new ATOM 0 HB3 GLU A 4 -13.168 7.436 6.842 1.00 1.62 H new ATOM 0 HG2 GLU A 4 -12.006 9.365 7.209 1.00 1.61 H new ATOM 0 HG3 GLU A 4 -13.514 10.143 6.771 1.00 1.61 H new ATOM 64 N GLN A 5 -16.152 6.264 8.193 1.00 1.72 N ATOM 65 CA GLN A 5 -16.820 4.968 8.312 1.00 1.75 C ATOM 66 C GLN A 5 -18.152 4.930 7.545 1.00 1.81 C ATOM 67 O GLN A 5 -18.367 4.013 6.754 1.00 1.81 O ATOM 68 CB GLN A 5 -16.984 4.538 9.776 1.00 1.78 C ATOM 69 CG GLN A 5 -15.632 4.150 10.408 1.00 1.73 C ATOM 70 CD GLN A 5 -15.774 3.007 11.410 1.00 1.77 C ATOM 71 OE1 GLN A 5 -15.749 3.189 12.621 1.00 1.80 O ATOM 72 NE2 GLN A 5 -15.932 1.786 10.950 1.00 1.77 N ATOM 0 H GLN A 5 -16.000 6.750 9.077 1.00 1.72 H new ATOM 0 HA GLN A 5 -16.167 4.234 7.840 1.00 1.75 H new ATOM 0 HB2 GLN A 5 -17.433 5.351 10.347 1.00 1.78 H new ATOM 0 HB3 GLN A 5 -17.669 3.692 9.833 1.00 1.78 H new ATOM 0 HG2 GLN A 5 -14.935 3.858 9.622 1.00 1.73 H new ATOM 0 HG3 GLN A 5 -15.203 5.019 10.908 1.00 1.73 H new ATOM 0 HE21 GLN A 5 -15.955 1.619 9.944 1.00 1.77 H new ATOM 0 HE22 GLN A 5 -16.032 1.005 11.599 1.00 1.77 H new ATOM 81 N ALA A 6 -19.005 5.950 7.673 1.00 1.86 N ATOM 82 CA ALA A 6 -20.238 6.057 6.889 1.00 1.92 C ATOM 83 C ALA A 6 -19.971 6.022 5.372 1.00 1.90 C ATOM 84 O ALA A 6 -20.572 5.213 4.657 1.00 1.92 O ATOM 85 CB ALA A 6 -20.985 7.328 7.309 1.00 1.98 C ATOM 0 H ALA A 6 -18.861 6.724 8.322 1.00 1.86 H new ATOM 0 HA ALA A 6 -20.863 5.188 7.097 1.00 1.92 H new ATOM 0 HB1 ALA A 6 -21.905 7.417 6.731 1.00 1.98 H new ATOM 0 HB2 ALA A 6 -21.227 7.274 8.370 1.00 1.98 H new ATOM 0 HB3 ALA A 6 -20.355 8.198 7.125 1.00 1.98 H new ATOM 91 N PHE A 7 -19.019 6.820 4.870 1.00 1.85 N ATOM 92 CA PHE A 7 -18.689 6.824 3.443 1.00 1.83 C ATOM 93 C PHE A 7 -17.886 5.594 2.987 1.00 1.77 C ATOM 94 O PHE A 7 -17.900 5.294 1.788 1.00 1.78 O ATOM 95 CB PHE A 7 -18.114 8.187 2.998 1.00 1.82 C ATOM 96 CG PHE A 7 -16.626 8.493 3.129 1.00 1.75 C ATOM 97 CD1 PHE A 7 -15.673 7.778 2.376 1.00 1.69 C ATOM 98 CD2 PHE A 7 -16.207 9.638 3.839 1.00 1.75 C ATOM 99 CE1 PHE A 7 -14.328 8.177 2.362 1.00 1.63 C ATOM 100 CE2 PHE A 7 -14.856 10.028 3.841 1.00 1.69 C ATOM 101 CZ PHE A 7 -13.912 9.294 3.107 1.00 1.63 C ATOM 0 H PHE A 7 -18.467 7.468 5.431 1.00 1.85 H new ATOM 0 HA PHE A 7 -19.626 6.712 2.897 1.00 1.83 H new ATOM 0 HB2 PHE A 7 -18.375 8.316 1.948 1.00 1.82 H new ATOM 0 HB3 PHE A 7 -18.648 8.956 3.556 1.00 1.82 H new ATOM 0 HD1 PHE A 7 -15.981 6.915 1.804 1.00 1.69 H new ATOM 0 HD2 PHE A 7 -16.932 10.221 4.387 1.00 1.75 H new ATOM 0 HE1 PHE A 7 -13.609 7.623 1.776 1.00 1.63 H new ATOM 0 HE2 PHE A 7 -14.545 10.893 4.408 1.00 1.69 H new ATOM 0 HZ PHE A 7 -12.872 9.585 3.114 1.00 1.63 H new ATOM 111 N LEU A 8 -17.307 4.802 3.911 1.00 1.73 N ATOM 112 CA LEU A 8 -16.707 3.528 3.481 1.00 1.69 C ATOM 113 C LEU A 8 -17.702 2.365 3.612 1.00 1.75 C ATOM 114 O LEU A 8 -17.494 1.329 2.991 1.00 1.73 O ATOM 115 CB LEU A 8 -15.408 3.265 4.269 1.00 1.63 C ATOM 116 CG LEU A 8 -14.136 3.236 3.408 1.00 1.56 C ATOM 117 CD1 LEU A 8 -14.058 1.929 2.626 1.00 1.55 C ATOM 118 CD2 LEU A 8 -13.976 4.435 2.468 1.00 1.55 C ATOM 0 H LEU A 8 -17.243 5.007 4.908 1.00 1.73 H new ATOM 0 HA LEU A 8 -16.454 3.602 2.423 1.00 1.69 H new ATOM 0 HB2 LEU A 8 -15.298 4.036 5.032 1.00 1.63 H new ATOM 0 HB3 LEU A 8 -15.501 2.312 4.790 1.00 1.63 H new ATOM 0 HG LEU A 8 -13.304 3.305 4.108 1.00 1.56 H new ATOM 0 HD11 LEU A 8 -13.152 1.921 2.020 1.00 1.55 H new ATOM 0 HD12 LEU A 8 -14.037 1.090 3.321 1.00 1.55 H new ATOM 0 HD13 LEU A 8 -14.929 1.841 1.977 1.00 1.55 H new ATOM 0 HD21 LEU A 8 -13.052 4.331 1.900 1.00 1.55 H new ATOM 0 HD22 LEU A 8 -14.822 4.474 1.781 1.00 1.55 H new ATOM 0 HD23 LEU A 8 -13.941 5.354 3.053 1.00 1.55 H new ATOM 130 N VAL A 9 -18.805 2.531 4.357 1.00 1.81 N ATOM 131 CA VAL A 9 -19.937 1.584 4.305 1.00 1.87 C ATOM 132 C VAL A 9 -20.722 1.804 3.004 1.00 1.92 C ATOM 133 O VAL A 9 -21.113 0.839 2.339 1.00 1.94 O ATOM 134 CB VAL A 9 -20.834 1.714 5.555 1.00 1.93 C ATOM 135 CG1 VAL A 9 -22.174 0.973 5.422 1.00 2.01 C ATOM 136 CG2 VAL A 9 -20.118 1.122 6.778 1.00 1.91 C ATOM 0 H VAL A 9 -18.940 3.309 5.002 1.00 1.81 H new ATOM 0 HA VAL A 9 -19.554 0.563 4.308 1.00 1.87 H new ATOM 0 HB VAL A 9 -21.030 2.780 5.667 1.00 1.93 H new ATOM 0 HG11 VAL A 9 -22.755 1.105 6.335 1.00 2.01 H new ATOM 0 HG12 VAL A 9 -22.730 1.376 4.576 1.00 2.01 H new ATOM 0 HG13 VAL A 9 -21.988 -0.089 5.261 1.00 2.01 H new ATOM 0 HG21 VAL A 9 -20.757 1.218 7.656 1.00 1.91 H new ATOM 0 HG22 VAL A 9 -19.903 0.069 6.599 1.00 1.91 H new ATOM 0 HG23 VAL A 9 -19.185 1.659 6.949 1.00 1.91 H new ATOM 146 N ALA A 10 -20.869 3.061 2.577 1.00 1.93 N ATOM 147 CA ALA A 10 -21.399 3.379 1.251 1.00 1.97 C ATOM 148 C ALA A 10 -20.497 2.843 0.122 1.00 1.92 C ATOM 149 O ALA A 10 -21.006 2.195 -0.802 1.00 1.96 O ATOM 150 CB ALA A 10 -21.596 4.897 1.150 1.00 1.99 C ATOM 0 H ALA A 10 -20.626 3.879 3.136 1.00 1.93 H new ATOM 0 HA ALA A 10 -22.360 2.881 1.124 1.00 1.97 H new ATOM 0 HB1 ALA A 10 -21.991 5.148 0.166 1.00 1.99 H new ATOM 0 HB2 ALA A 10 -22.298 5.225 1.917 1.00 1.99 H new ATOM 0 HB3 ALA A 10 -20.639 5.399 1.296 1.00 1.99 H new ATOM 156 N LEU A 11 -19.165 3.026 0.219 1.00 1.84 N ATOM 157 CA LEU A 11 -18.247 2.346 -0.702 1.00 1.80 C ATOM 158 C LEU A 11 -18.365 0.828 -0.593 1.00 1.80 C ATOM 159 O LEU A 11 -18.406 0.189 -1.632 1.00 1.82 O ATOM 160 CB LEU A 11 -16.781 2.762 -0.527 1.00 1.71 C ATOM 161 CG LEU A 11 -15.835 2.035 -1.519 1.00 1.67 C ATOM 162 CD1 LEU A 11 -16.115 2.338 -2.992 1.00 1.71 C ATOM 163 CD2 LEU A 11 -14.393 2.440 -1.256 1.00 1.59 C ATOM 0 H LEU A 11 -18.714 3.625 0.910 1.00 1.84 H new ATOM 0 HA LEU A 11 -18.557 2.664 -1.698 1.00 1.80 H new ATOM 0 HB2 LEU A 11 -16.693 3.839 -0.669 1.00 1.71 H new ATOM 0 HB3 LEU A 11 -16.465 2.548 0.494 1.00 1.71 H new ATOM 0 HG LEU A 11 -16.012 0.973 -1.348 1.00 1.67 H new ATOM 0 HD11 LEU A 11 -15.409 1.790 -3.617 1.00 1.71 H new ATOM 0 HD12 LEU A 11 -17.132 2.033 -3.239 1.00 1.71 H new ATOM 0 HD13 LEU A 11 -16.004 3.407 -3.171 1.00 1.71 H new ATOM 0 HD21 LEU A 11 -13.737 1.925 -1.957 1.00 1.59 H new ATOM 0 HD22 LEU A 11 -14.288 3.517 -1.386 1.00 1.59 H new ATOM 0 HD23 LEU A 11 -14.119 2.169 -0.236 1.00 1.59 H new ATOM 175 N TYR A 12 -18.442 0.231 0.599 1.00 1.80 N ATOM 176 CA TYR A 12 -18.579 -1.222 0.750 1.00 1.81 C ATOM 177 C TYR A 12 -19.766 -1.765 -0.050 1.00 1.89 C ATOM 178 O TYR A 12 -19.595 -2.731 -0.795 1.00 1.89 O ATOM 179 CB TYR A 12 -18.680 -1.619 2.230 1.00 1.82 C ATOM 180 CG TYR A 12 -19.147 -3.046 2.468 1.00 1.86 C ATOM 181 CD1 TYR A 12 -18.424 -4.129 1.932 1.00 1.84 C ATOM 182 CD2 TYR A 12 -20.346 -3.282 3.172 1.00 1.94 C ATOM 183 CE1 TYR A 12 -18.902 -5.446 2.087 1.00 1.89 C ATOM 184 CE2 TYR A 12 -20.821 -4.596 3.339 1.00 1.99 C ATOM 185 CZ TYR A 12 -20.102 -5.683 2.793 1.00 1.96 C ATOM 186 OH TYR A 12 -20.568 -6.954 2.936 1.00 2.02 O ATOM 0 H TYR A 12 -18.411 0.738 1.484 1.00 1.80 H new ATOM 0 HA TYR A 12 -17.677 -1.677 0.342 1.00 1.81 H new ATOM 0 HB2 TYR A 12 -17.704 -1.487 2.696 1.00 1.82 H new ATOM 0 HB3 TYR A 12 -19.367 -0.937 2.730 1.00 1.82 H new ATOM 0 HD1 TYR A 12 -17.501 -3.950 1.401 1.00 1.84 H new ATOM 0 HD2 TYR A 12 -20.901 -2.452 3.584 1.00 1.94 H new ATOM 0 HE1 TYR A 12 -18.351 -6.274 1.666 1.00 1.89 H new ATOM 0 HE2 TYR A 12 -21.736 -4.774 3.885 1.00 1.99 H new ATOM 0 HH TYR A 12 -21.403 -6.940 3.449 1.00 2.02 H new ATOM 196 N LYS A 13 -20.930 -1.101 0.019 1.00 1.95 N ATOM 197 CA LYS A 13 -22.066 -1.443 -0.848 1.00 2.03 C ATOM 198 C LYS A 13 -21.718 -1.268 -2.328 1.00 2.02 C ATOM 199 O LYS A 13 -21.810 -2.251 -3.072 1.00 2.05 O ATOM 200 CB LYS A 13 -23.310 -0.650 -0.412 1.00 2.10 C ATOM 201 CG LYS A 13 -24.570 -1.093 -1.174 1.00 2.18 C ATOM 202 CD LYS A 13 -25.835 -0.331 -0.743 1.00 2.25 C ATOM 203 CE LYS A 13 -26.243 -0.644 0.704 1.00 2.27 C ATOM 204 NZ LYS A 13 -27.514 0.035 1.072 1.00 2.34 N ATOM 0 H LYS A 13 -21.108 -0.329 0.662 1.00 1.95 H new ATOM 0 HA LYS A 13 -22.301 -2.501 -0.733 1.00 2.03 H new ATOM 0 HB2 LYS A 13 -23.468 -0.782 0.658 1.00 2.10 H new ATOM 0 HB3 LYS A 13 -23.140 0.413 -0.580 1.00 2.10 H new ATOM 0 HG2 LYS A 13 -24.411 -0.947 -2.242 1.00 2.18 H new ATOM 0 HG3 LYS A 13 -24.725 -2.161 -1.018 1.00 2.18 H new ATOM 0 HD2 LYS A 13 -25.663 0.740 -0.845 1.00 2.25 H new ATOM 0 HD3 LYS A 13 -26.656 -0.587 -1.413 1.00 2.25 H new ATOM 0 HE2 LYS A 13 -26.356 -1.721 0.826 1.00 2.27 H new ATOM 0 HE3 LYS A 13 -25.451 -0.328 1.383 1.00 2.27 H new ATOM 0 HZ1 LYS A 13 -27.760 -0.198 2.055 1.00 2.34 H new ATOM 0 HZ2 LYS A 13 -27.397 1.064 0.979 1.00 2.34 H new ATOM 0 HZ3 LYS A 13 -28.275 -0.286 0.440 1.00 2.34 H new ATOM 218 N TYR A 14 -21.265 -0.087 -2.768 1.00 2.00 N ATOM 219 CA TYR A 14 -20.885 0.079 -4.178 1.00 2.00 C ATOM 220 C TYR A 14 -19.813 -0.896 -4.700 1.00 1.95 C ATOM 221 O TYR A 14 -19.948 -1.410 -5.808 1.00 1.99 O ATOM 222 CB TYR A 14 -20.436 1.535 -4.373 1.00 1.98 C ATOM 223 CG TYR A 14 -20.287 1.947 -5.826 1.00 2.01 C ATOM 224 CD1 TYR A 14 -21.433 2.284 -6.572 1.00 2.10 C ATOM 225 CD2 TYR A 14 -19.015 1.984 -6.432 1.00 1.96 C ATOM 226 CE1 TYR A 14 -21.312 2.655 -7.925 1.00 2.14 C ATOM 227 CE2 TYR A 14 -18.892 2.348 -7.788 1.00 1.99 C ATOM 228 CZ TYR A 14 -20.042 2.683 -8.537 1.00 2.09 C ATOM 229 OH TYR A 14 -19.921 2.999 -9.856 1.00 2.13 O ATOM 0 H TYR A 14 -21.154 0.745 -2.189 1.00 2.00 H new ATOM 0 HA TYR A 14 -21.765 -0.164 -4.773 1.00 2.00 H new ATOM 0 HB2 TYR A 14 -21.158 2.194 -3.892 1.00 1.98 H new ATOM 0 HB3 TYR A 14 -19.483 1.681 -3.865 1.00 1.98 H new ATOM 0 HD1 TYR A 14 -22.407 2.258 -6.105 1.00 2.10 H new ATOM 0 HD2 TYR A 14 -18.135 1.734 -5.858 1.00 1.96 H new ATOM 0 HE1 TYR A 14 -22.192 2.918 -8.494 1.00 2.14 H new ATOM 0 HE2 TYR A 14 -17.918 2.371 -8.255 1.00 1.99 H new ATOM 0 HH TYR A 14 -18.976 2.972 -10.114 1.00 2.13 H new ATOM 239 N MET A 15 -18.771 -1.198 -3.920 1.00 1.88 N ATOM 240 CA MET A 15 -17.687 -2.083 -4.340 1.00 1.83 C ATOM 241 C MET A 15 -18.109 -3.559 -4.306 1.00 1.86 C ATOM 242 O MET A 15 -17.684 -4.328 -5.171 1.00 1.86 O ATOM 243 CB MET A 15 -16.376 -1.772 -3.609 1.00 1.74 C ATOM 244 CG MET A 15 -16.297 -2.238 -2.157 1.00 1.72 C ATOM 245 SD MET A 15 -14.896 -1.567 -1.211 1.00 1.62 S ATOM 246 CE MET A 15 -13.495 -1.896 -2.318 1.00 1.57 C ATOM 0 H MET A 15 -18.658 -0.832 -2.975 1.00 1.88 H new ATOM 0 HA MET A 15 -17.472 -1.879 -5.389 1.00 1.83 H new ATOM 0 HB2 MET A 15 -15.556 -2.230 -4.163 1.00 1.74 H new ATOM 0 HB3 MET A 15 -16.215 -0.694 -3.634 1.00 1.74 H new ATOM 0 HG2 MET A 15 -17.223 -1.963 -1.652 1.00 1.72 H new ATOM 0 HG3 MET A 15 -16.238 -3.326 -2.143 1.00 1.72 H new ATOM 0 HE1 MET A 15 -12.811 -2.597 -1.840 1.00 1.57 H new ATOM 0 HE2 MET A 15 -13.861 -2.325 -3.251 1.00 1.57 H new ATOM 0 HE3 MET A 15 -12.971 -0.964 -2.528 1.00 1.57 H new ATOM 256 N LYS A 16 -19.021 -3.962 -3.402 1.00 1.90 N ATOM 257 CA LYS A 16 -19.661 -5.286 -3.474 1.00 1.96 C ATOM 258 C LYS A 16 -20.521 -5.420 -4.740 1.00 2.03 C ATOM 259 O LYS A 16 -20.457 -6.443 -5.417 1.00 2.05 O ATOM 260 CB LYS A 16 -20.452 -5.536 -2.180 1.00 1.99 C ATOM 261 CG LYS A 16 -21.018 -6.961 -2.109 1.00 2.05 C ATOM 262 CD LYS A 16 -21.329 -7.353 -0.659 1.00 2.07 C ATOM 263 CE LYS A 16 -21.941 -8.757 -0.609 1.00 2.13 C ATOM 264 NZ LYS A 16 -21.933 -9.295 0.772 1.00 2.15 N ATOM 0 H LYS A 16 -19.330 -3.390 -2.616 1.00 1.90 H new ATOM 0 HA LYS A 16 -18.898 -6.060 -3.554 1.00 1.96 H new ATOM 0 HB2 LYS A 16 -19.804 -5.362 -1.321 1.00 1.99 H new ATOM 0 HB3 LYS A 16 -21.270 -4.819 -2.113 1.00 1.99 H new ATOM 0 HG2 LYS A 16 -21.925 -7.027 -2.711 1.00 2.05 H new ATOM 0 HG3 LYS A 16 -20.301 -7.663 -2.534 1.00 2.05 H new ATOM 0 HD2 LYS A 16 -20.416 -7.325 -0.063 1.00 2.07 H new ATOM 0 HD3 LYS A 16 -22.019 -6.632 -0.220 1.00 2.07 H new ATOM 0 HE2 LYS A 16 -22.964 -8.724 -0.984 1.00 2.13 H new ATOM 0 HE3 LYS A 16 -21.382 -9.424 -1.265 1.00 2.13 H new ATOM 0 HZ1 LYS A 16 -22.486 -10.175 0.805 1.00 2.15 H new ATOM 0 HZ2 LYS A 16 -20.954 -9.491 1.063 1.00 2.15 H new ATOM 0 HZ3 LYS A 16 -22.353 -8.597 1.419 1.00 2.15 H new ATOM 278 N GLU A 17 -21.208 -4.344 -5.134 1.00 2.07 N ATOM 279 CA GLU A 17 -21.887 -4.261 -6.446 1.00 2.13 C ATOM 280 C GLU A 17 -20.908 -4.126 -7.649 1.00 2.10 C ATOM 281 O GLU A 17 -21.340 -4.072 -8.803 1.00 2.16 O ATOM 282 CB GLU A 17 -22.903 -3.102 -6.385 1.00 2.18 C ATOM 283 CG GLU A 17 -24.035 -3.207 -7.416 1.00 2.27 C ATOM 284 CD GLU A 17 -25.113 -2.135 -7.164 1.00 2.33 C ATOM 285 OE1 GLU A 17 -25.006 -1.014 -7.719 1.00 2.34 O ATOM 286 OE2 GLU A 17 -26.087 -2.408 -6.421 1.00 2.37 O ATOM 0 H GLU A 17 -21.314 -3.506 -4.562 1.00 2.07 H new ATOM 0 HA GLU A 17 -22.404 -5.203 -6.631 1.00 2.13 H new ATOM 0 HB2 GLU A 17 -23.338 -3.066 -5.386 1.00 2.18 H new ATOM 0 HB3 GLU A 17 -22.374 -2.161 -6.536 1.00 2.18 H new ATOM 0 HG2 GLU A 17 -23.629 -3.090 -8.421 1.00 2.27 H new ATOM 0 HG3 GLU A 17 -24.485 -4.199 -7.368 1.00 2.27 H new ATOM 293 N ARG A 18 -19.590 -4.095 -7.389 1.00 2.02 N ATOM 294 CA ARG A 18 -18.547 -4.095 -8.442 1.00 1.99 C ATOM 295 C ARG A 18 -17.615 -5.321 -8.348 1.00 1.95 C ATOM 296 O ARG A 18 -16.507 -5.308 -8.886 1.00 1.90 O ATOM 297 CB ARG A 18 -17.805 -2.732 -8.471 1.00 1.94 C ATOM 298 CG ARG A 18 -18.439 -1.711 -9.432 1.00 2.01 C ATOM 299 CD ARG A 18 -19.697 -1.022 -8.890 1.00 2.06 C ATOM 300 NE ARG A 18 -20.391 -0.268 -9.949 1.00 2.13 N ATOM 301 CZ ARG A 18 -21.359 -0.707 -10.736 1.00 2.22 C ATOM 302 NH1 ARG A 18 -21.842 -1.916 -10.661 1.00 2.24 N ATOM 303 NH2 ARG A 18 -21.865 0.080 -11.642 1.00 2.28 N ATOM 0 H ARG A 18 -19.212 -4.069 -6.442 1.00 2.02 H new ATOM 0 HA ARG A 18 -19.034 -4.203 -9.411 1.00 1.99 H new ATOM 0 HB2 ARG A 18 -17.791 -2.313 -7.465 1.00 1.94 H new ATOM 0 HB3 ARG A 18 -16.768 -2.898 -8.762 1.00 1.94 H new ATOM 0 HG2 ARG A 18 -17.698 -0.949 -9.672 1.00 2.01 H new ATOM 0 HG3 ARG A 18 -18.690 -2.216 -10.364 1.00 2.01 H new ATOM 0 HD2 ARG A 18 -20.371 -1.769 -8.470 1.00 2.06 H new ATOM 0 HD3 ARG A 18 -19.424 -0.347 -8.079 1.00 2.06 H new ATOM 0 HE ARG A 18 -20.092 0.697 -10.090 1.00 2.13 H new ATOM 0 HH11 ARG A 18 -21.472 -2.571 -9.972 1.00 2.24 H new ATOM 0 HH12 ARG A 18 -22.589 -2.207 -11.291 1.00 2.24 H new ATOM 0 HH21 ARG A 18 -21.515 1.033 -11.743 1.00 2.28 H new ATOM 0 HH22 ARG A 18 -22.612 -0.256 -12.250 1.00 2.28 H new ATOM 317 N LYS A 19 -18.067 -6.399 -7.683 1.00 1.97 N ATOM 318 CA LYS A 19 -17.386 -7.706 -7.536 1.00 1.95 C ATOM 319 C LYS A 19 -16.061 -7.588 -6.775 1.00 1.86 C ATOM 320 O LYS A 19 -15.184 -8.453 -6.875 1.00 1.84 O ATOM 321 CB LYS A 19 -17.256 -8.422 -8.901 1.00 1.99 C ATOM 322 CG LYS A 19 -18.605 -8.596 -9.620 1.00 2.09 C ATOM 323 CD LYS A 19 -18.431 -9.332 -10.955 1.00 2.13 C ATOM 324 CE LYS A 19 -19.783 -9.456 -11.670 1.00 2.22 C ATOM 325 NZ LYS A 19 -19.649 -10.142 -12.981 1.00 2.27 N ATOM 0 H LYS A 19 -18.968 -6.385 -7.205 1.00 1.97 H new ATOM 0 HA LYS A 19 -18.014 -8.344 -6.913 1.00 1.95 H new ATOM 0 HB2 LYS A 19 -16.581 -7.853 -9.540 1.00 1.99 H new ATOM 0 HB3 LYS A 19 -16.802 -9.401 -8.749 1.00 1.99 H new ATOM 0 HG2 LYS A 19 -19.291 -9.152 -8.982 1.00 2.09 H new ATOM 0 HG3 LYS A 19 -19.055 -7.619 -9.796 1.00 2.09 H new ATOM 0 HD2 LYS A 19 -17.725 -8.793 -11.587 1.00 2.13 H new ATOM 0 HD3 LYS A 19 -18.011 -10.323 -10.781 1.00 2.13 H new ATOM 0 HE2 LYS A 19 -20.479 -10.009 -11.039 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -20.208 -8.464 -11.820 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -20.582 -10.208 -13.435 1.00 2.27 H new ATOM 0 HZ2 LYS A 19 -19.004 -9.601 -13.592 1.00 2.27 H new ATOM 0 HZ3 LYS A 19 -19.267 -11.098 -12.835 1.00 2.27 H new ATOM 339 N THR A 20 -15.945 -6.520 -5.981 1.00 1.82 N ATOM 340 CA THR A 20 -14.722 -6.206 -5.245 1.00 1.73 C ATOM 341 C THR A 20 -15.045 -5.784 -3.798 1.00 1.72 C ATOM 342 O THR A 20 -14.690 -4.680 -3.396 1.00 1.68 O ATOM 343 CB THR A 20 -13.868 -5.152 -5.998 1.00 1.69 C ATOM 344 OG1 THR A 20 -13.764 -5.461 -7.374 1.00 1.72 O ATOM 345 CG2 THR A 20 -12.421 -5.080 -5.499 1.00 1.61 C ATOM 0 H THR A 20 -16.699 -5.849 -5.832 1.00 1.82 H new ATOM 0 HA THR A 20 -14.115 -7.109 -5.184 1.00 1.73 H new ATOM 0 HB THR A 20 -14.386 -4.210 -5.819 1.00 1.69 H new ATOM 0 HG1 THR A 20 -14.636 -5.336 -7.804 1.00 1.72 H new ATOM 0 HG21 THR A 20 -11.878 -4.324 -6.066 1.00 1.61 H new ATOM 0 HG22 THR A 20 -12.413 -4.815 -4.442 1.00 1.61 H new ATOM 0 HG23 THR A 20 -11.941 -6.049 -5.634 1.00 1.61 H new ATOM 353 N PRO A 21 -15.770 -6.598 -3.003 1.00 1.76 N ATOM 354 CA PRO A 21 -16.137 -6.250 -1.625 1.00 1.76 C ATOM 355 C PRO A 21 -14.918 -6.168 -0.688 1.00 1.69 C ATOM 356 O PRO A 21 -13.892 -6.803 -0.927 1.00 1.66 O ATOM 357 CB PRO A 21 -17.098 -7.359 -1.181 1.00 1.84 C ATOM 358 CG PRO A 21 -16.639 -8.571 -1.986 1.00 1.85 C ATOM 359 CD PRO A 21 -16.238 -7.944 -3.318 1.00 1.82 C ATOM 0 HA PRO A 21 -16.590 -5.260 -1.581 1.00 1.76 H new ATOM 0 HB2 PRO A 21 -17.032 -7.541 -0.108 1.00 1.84 H new ATOM 0 HB3 PRO A 21 -18.135 -7.102 -1.398 1.00 1.84 H new ATOM 0 HG2 PRO A 21 -15.803 -9.083 -1.509 1.00 1.85 H new ATOM 0 HG3 PRO A 21 -17.436 -9.305 -2.106 1.00 1.85 H new ATOM 0 HD2 PRO A 21 -15.455 -8.526 -3.803 1.00 1.82 H new ATOM 0 HD3 PRO A 21 -17.084 -7.912 -4.005 1.00 1.82 H new ATOM 367 N ILE A 22 -15.066 -5.479 0.449 1.00 1.68 N ATOM 368 CA ILE A 22 -14.060 -5.525 1.542 1.00 1.64 C ATOM 369 C ILE A 22 -13.874 -6.971 2.071 1.00 1.67 C ATOM 370 O ILE A 22 -12.816 -7.340 2.572 1.00 1.64 O ATOM 371 CB ILE A 22 -14.440 -4.490 2.637 1.00 1.64 C ATOM 372 CG1 ILE A 22 -14.368 -3.071 2.038 1.00 1.61 C ATOM 373 CG2 ILE A 22 -13.537 -4.597 3.881 1.00 1.61 C ATOM 374 CD1 ILE A 22 -14.796 -1.940 2.981 1.00 1.62 C ATOM 0 H ILE A 22 -15.868 -4.881 0.646 1.00 1.68 H new ATOM 0 HA ILE A 22 -13.080 -5.237 1.162 1.00 1.64 H new ATOM 0 HB ILE A 22 -15.456 -4.704 2.968 1.00 1.64 H new ATOM 0 HG12 ILE A 22 -13.345 -2.883 1.713 1.00 1.61 H new ATOM 0 HG13 ILE A 22 -14.997 -3.038 1.148 1.00 1.61 H new ATOM 0 HG21 ILE A 22 -13.842 -3.853 4.617 1.00 1.61 H new ATOM 0 HG22 ILE A 22 -13.629 -5.594 4.313 1.00 1.61 H new ATOM 0 HG23 ILE A 22 -12.500 -4.420 3.594 1.00 1.61 H new ATOM 0 HD11 ILE A 22 -14.709 -0.984 2.465 1.00 1.62 H new ATOM 0 HD12 ILE A 22 -15.830 -2.094 3.288 1.00 1.62 H new ATOM 0 HD13 ILE A 22 -14.153 -1.937 3.861 1.00 1.62 H new ATOM 386 N GLU A 23 -14.892 -7.810 1.849 1.00 1.74 N ATOM 387 CA GLU A 23 -14.798 -9.269 2.054 1.00 1.78 C ATOM 388 C GLU A 23 -13.636 -9.974 1.297 1.00 1.75 C ATOM 389 O GLU A 23 -13.308 -11.113 1.640 1.00 1.78 O ATOM 390 CB GLU A 23 -16.139 -9.949 1.730 1.00 1.87 C ATOM 391 CG GLU A 23 -17.287 -9.457 2.620 1.00 1.91 C ATOM 392 CD GLU A 23 -18.570 -10.266 2.357 1.00 2.00 C ATOM 393 OE1 GLU A 23 -19.316 -9.928 1.408 1.00 2.02 O ATOM 394 OE2 GLU A 23 -18.844 -11.243 3.097 1.00 2.06 O ATOM 0 H GLU A 23 -15.807 -7.501 1.522 1.00 1.74 H new ATOM 0 HA GLU A 23 -14.560 -9.387 3.111 1.00 1.78 H new ATOM 0 HB2 GLU A 23 -16.391 -9.765 0.686 1.00 1.87 H new ATOM 0 HB3 GLU A 23 -16.032 -11.027 1.847 1.00 1.87 H new ATOM 0 HG2 GLU A 23 -17.004 -9.547 3.669 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -17.473 -8.400 2.430 1.00 1.91 H new ATOM 401 N ARG A 24 -12.963 -9.316 0.328 1.00 1.69 N ATOM 402 CA ARG A 24 -11.716 -9.791 -0.327 1.00 1.65 C ATOM 403 C ARG A 24 -10.471 -8.932 -0.015 1.00 1.57 C ATOM 404 O ARG A 24 -9.426 -9.103 -0.646 1.00 1.53 O ATOM 405 CB ARG A 24 -11.951 -10.038 -1.836 1.00 1.67 C ATOM 406 CG ARG A 24 -11.782 -8.815 -2.761 1.00 1.62 C ATOM 407 CD ARG A 24 -12.318 -9.074 -4.179 1.00 1.67 C ATOM 408 NE ARG A 24 -11.555 -10.112 -4.896 1.00 1.67 N ATOM 409 CZ ARG A 24 -11.816 -10.603 -6.099 1.00 1.72 C ATOM 410 NH1 ARG A 24 -12.831 -10.216 -6.821 1.00 1.77 N ATOM 411 NH2 ARG A 24 -11.038 -11.512 -6.609 1.00 1.72 N ATOM 0 H ARG A 24 -13.277 -8.415 -0.033 1.00 1.69 H new ATOM 0 HA ARG A 24 -11.468 -10.754 0.120 1.00 1.65 H new ATOM 0 HB2 ARG A 24 -11.263 -10.816 -2.167 1.00 1.67 H new ATOM 0 HB3 ARG A 24 -12.960 -10.429 -1.966 1.00 1.67 H new ATOM 0 HG2 ARG A 24 -12.304 -7.961 -2.329 1.00 1.62 H new ATOM 0 HG3 ARG A 24 -10.727 -8.549 -2.817 1.00 1.62 H new ATOM 0 HD2 ARG A 24 -13.364 -9.375 -4.118 1.00 1.67 H new ATOM 0 HD3 ARG A 24 -12.286 -8.146 -4.750 1.00 1.67 H new ATOM 0 HE ARG A 24 -10.740 -10.493 -4.415 1.00 1.67 H new ATOM 0 HH11 ARG A 24 -13.468 -9.503 -6.465 1.00 1.77 H new ATOM 0 HH12 ARG A 24 -12.988 -10.626 -7.742 1.00 1.77 H new ATOM 0 HH21 ARG A 24 -10.230 -11.845 -6.083 1.00 1.72 H new ATOM 0 HH22 ARG A 24 -11.236 -11.892 -7.535 1.00 1.72 H new ATOM 425 N ILE A 25 -10.566 -8.036 0.972 1.00 1.55 N ATOM 426 CA ILE A 25 -9.535 -7.077 1.408 1.00 1.48 C ATOM 427 C ILE A 25 -9.356 -7.211 2.942 1.00 1.49 C ATOM 428 O ILE A 25 -9.869 -6.394 3.713 1.00 1.50 O ATOM 429 CB ILE A 25 -9.888 -5.629 0.965 1.00 1.45 C ATOM 430 CG1 ILE A 25 -10.365 -5.531 -0.505 1.00 1.46 C ATOM 431 CG2 ILE A 25 -8.637 -4.750 1.165 1.00 1.37 C ATOM 432 CD1 ILE A 25 -10.809 -4.124 -0.925 1.00 1.45 C ATOM 0 H ILE A 25 -11.418 -7.952 1.526 1.00 1.55 H new ATOM 0 HA ILE A 25 -8.583 -7.305 0.928 1.00 1.48 H new ATOM 0 HB ILE A 25 -10.723 -5.288 1.577 1.00 1.45 H new ATOM 0 HG12 ILE A 25 -9.557 -5.857 -1.161 1.00 1.46 H new ATOM 0 HG13 ILE A 25 -11.195 -6.222 -0.654 1.00 1.46 H new ATOM 0 HG21 ILE A 25 -8.859 -3.727 0.861 1.00 1.37 H new ATOM 0 HG22 ILE A 25 -8.348 -4.762 2.216 1.00 1.37 H new ATOM 0 HG23 ILE A 25 -7.818 -5.139 0.560 1.00 1.37 H new ATOM 0 HD11 ILE A 25 -11.128 -4.139 -1.967 1.00 1.45 H new ATOM 0 HD12 ILE A 25 -11.639 -3.801 -0.296 1.00 1.45 H new ATOM 0 HD13 ILE A 25 -9.976 -3.430 -0.811 1.00 1.45 H new ATOM 444 N PRO A 26 -8.804 -8.344 3.419 1.00 1.53 N ATOM 445 CA PRO A 26 -8.767 -8.649 4.858 1.00 1.57 C ATOM 446 C PRO A 26 -7.893 -7.796 5.782 1.00 1.52 C ATOM 447 O PRO A 26 -8.384 -7.363 6.826 1.00 1.50 O ATOM 448 CB PRO A 26 -8.352 -10.119 4.908 1.00 1.62 C ATOM 449 CG PRO A 26 -7.663 -10.395 3.618 1.00 1.59 C ATOM 450 CD PRO A 26 -8.186 -9.405 2.612 1.00 1.55 C ATOM 0 HA PRO A 26 -9.748 -8.412 5.269 1.00 1.57 H new ATOM 0 HB2 PRO A 26 -7.690 -10.309 5.753 1.00 1.62 H new ATOM 0 HB3 PRO A 26 -9.221 -10.766 5.033 1.00 1.62 H new ATOM 0 HG2 PRO A 26 -6.583 -10.296 3.730 1.00 1.59 H new ATOM 0 HG3 PRO A 26 -7.857 -11.416 3.289 1.00 1.59 H new ATOM 0 HD2 PRO A 26 -7.383 -9.012 1.989 1.00 1.55 H new ATOM 0 HD3 PRO A 26 -8.912 -9.867 1.942 1.00 1.55 H new ATOM 458 N TYR A 27 -6.632 -7.539 5.457 1.00 1.52 N ATOM 459 CA TYR A 27 -5.804 -6.790 6.411 1.00 1.49 C ATOM 460 C TYR A 27 -5.024 -5.615 5.810 1.00 1.38 C ATOM 461 O TYR A 27 -5.123 -5.289 4.627 1.00 1.34 O ATOM 462 CB TYR A 27 -4.797 -7.732 7.102 1.00 1.61 C ATOM 463 CG TYR A 27 -5.254 -9.173 7.279 1.00 1.65 C ATOM 464 CD1 TYR A 27 -5.103 -10.104 6.254 1.00 1.76 C ATOM 465 CD2 TYR A 27 -5.818 -9.607 8.475 1.00 1.91 C ATOM 466 CE1 TYR A 27 -5.506 -11.419 6.418 1.00 2.09 C ATOM 467 CE2 TYR A 27 -6.219 -10.919 8.644 1.00 2.21 C ATOM 468 CZ TYR A 27 -6.062 -11.820 7.615 1.00 2.29 C ATOM 469 OH TYR A 27 -6.462 -13.125 7.785 1.00 2.75 O ATOM 0 H TYR A 27 -6.173 -7.818 4.590 1.00 1.52 H new ATOM 0 HA TYR A 27 -6.517 -6.367 7.119 1.00 1.49 H new ATOM 0 HB2 TYR A 27 -3.873 -7.732 6.525 1.00 1.61 H new ATOM 0 HB3 TYR A 27 -4.560 -7.322 8.084 1.00 1.61 H new ATOM 0 HD1 TYR A 27 -4.665 -9.796 5.316 1.00 1.76 H new ATOM 0 HD2 TYR A 27 -5.945 -8.906 9.286 1.00 1.91 H new ATOM 0 HE1 TYR A 27 -5.385 -12.128 5.612 1.00 2.09 H new ATOM 0 HE2 TYR A 27 -6.654 -11.236 9.580 1.00 2.21 H new ATOM 0 HH TYR A 27 -6.831 -13.239 8.686 1.00 2.75 H new ATOM 479 N LEU A 28 -4.252 -5.004 6.713 1.00 1.39 N ATOM 480 CA LEU A 28 -3.341 -3.886 6.451 1.00 1.35 C ATOM 481 C LEU A 28 -1.928 -4.428 6.635 1.00 1.35 C ATOM 482 O LEU A 28 -1.782 -5.496 7.235 1.00 1.38 O ATOM 483 CB LEU A 28 -3.600 -2.737 7.426 1.00 1.42 C ATOM 484 CG LEU A 28 -2.693 -1.523 7.288 1.00 1.37 C ATOM 485 CD1 LEU A 28 -3.177 -0.615 6.173 1.00 1.58 C ATOM 486 CD2 LEU A 28 -2.624 -0.776 8.604 1.00 1.77 C ATOM 0 H LEU A 28 -4.245 -5.289 7.692 1.00 1.39 H new ATOM 0 HA LEU A 28 -3.487 -3.492 5.445 1.00 1.35 H new ATOM 0 HB2 LEU A 28 -4.632 -2.409 7.303 1.00 1.42 H new ATOM 0 HB3 LEU A 28 -3.506 -3.121 8.442 1.00 1.42 H new ATOM 0 HG LEU A 28 -1.690 -1.862 7.029 1.00 1.37 H new ATOM 0 HD11 LEU A 28 -2.514 0.247 6.092 1.00 1.58 H new ATOM 0 HD12 LEU A 28 -3.176 -1.163 5.231 1.00 1.58 H new ATOM 0 HD13 LEU A 28 -4.189 -0.275 6.394 1.00 1.58 H new ATOM 0 HD21 LEU A 28 -1.973 0.091 8.496 1.00 1.77 H new ATOM 0 HD22 LEU A 28 -3.623 -0.446 8.888 1.00 1.77 H new ATOM 0 HD23 LEU A 28 -2.226 -1.435 9.376 1.00 1.77 H new ATOM 498 N GLY A 29 -0.899 -3.718 6.155 1.00 1.36 N ATOM 499 CA GLY A 29 0.460 -4.247 6.236 1.00 1.41 C ATOM 500 C GLY A 29 0.796 -4.904 7.572 1.00 1.47 C ATOM 501 O GLY A 29 1.185 -6.066 7.592 1.00 1.53 O ATOM 0 H GLY A 29 -0.981 -2.800 5.718 1.00 1.36 H new ATOM 0 HA2 GLY A 29 0.602 -4.977 5.439 1.00 1.41 H new ATOM 0 HA3 GLY A 29 1.165 -3.436 6.055 1.00 1.41 H new ATOM 505 N PHE A 30 0.639 -4.208 8.689 1.00 1.52 N ATOM 506 CA PHE A 30 0.915 -4.835 9.984 1.00 1.61 C ATOM 507 C PHE A 30 -0.361 -5.200 10.778 1.00 1.61 C ATOM 508 O PHE A 30 -0.386 -6.199 11.498 1.00 1.66 O ATOM 509 CB PHE A 30 1.873 -3.978 10.822 1.00 1.76 C ATOM 510 CG PHE A 30 1.235 -2.807 11.519 1.00 1.83 C ATOM 511 CD1 PHE A 30 0.620 -1.808 10.783 1.00 2.34 C ATOM 512 CD2 PHE A 30 1.245 -2.707 12.902 1.00 2.24 C ATOM 513 CE1 PHE A 30 0.024 -0.732 11.411 1.00 2.75 C ATOM 514 CE2 PHE A 30 0.654 -1.631 13.534 1.00 2.87 C ATOM 515 CZ PHE A 30 0.072 -0.648 12.824 1.00 2.93 C ATOM 0 H PHE A 30 0.331 -3.237 8.732 1.00 1.52 H new ATOM 0 HA PHE A 30 1.406 -5.782 9.762 1.00 1.61 H new ATOM 0 HB2 PHE A 30 2.345 -4.614 11.571 1.00 1.76 H new ATOM 0 HB3 PHE A 30 2.666 -3.607 10.173 1.00 1.76 H new ATOM 0 HD1 PHE A 30 0.606 -1.871 9.705 1.00 2.34 H new ATOM 0 HD2 PHE A 30 1.720 -3.478 13.491 1.00 2.24 H new ATOM 0 HE1 PHE A 30 -0.471 0.034 10.833 1.00 2.75 H new ATOM 0 HE2 PHE A 30 0.659 -1.578 14.613 1.00 2.87 H new ATOM 0 HZ PHE A 30 -0.358 0.204 13.330 1.00 2.93 H new ATOM 525 N LYS A 31 -1.418 -4.391 10.628 1.00 1.61 N ATOM 526 CA LYS A 31 -2.671 -4.569 11.388 1.00 1.66 C ATOM 527 C LYS A 31 -3.898 -4.752 10.487 1.00 1.60 C ATOM 528 O LYS A 31 -3.762 -5.043 9.312 1.00 1.53 O ATOM 529 CB LYS A 31 -2.880 -3.359 12.296 1.00 1.73 C ATOM 530 CG LYS A 31 -2.621 -3.640 13.767 1.00 1.80 C ATOM 531 CD LYS A 31 -3.800 -4.347 14.418 1.00 2.09 C ATOM 532 CE LYS A 31 -3.868 -4.053 15.908 1.00 2.48 C ATOM 533 NZ LYS A 31 -4.115 -2.608 16.174 1.00 3.02 N ATOM 0 H LYS A 31 -1.434 -3.600 9.984 1.00 1.61 H new ATOM 0 HA LYS A 31 -2.569 -5.483 11.973 1.00 1.66 H new ATOM 0 HB2 LYS A 31 -2.222 -2.554 11.969 1.00 1.73 H new ATOM 0 HB3 LYS A 31 -3.903 -3.002 12.179 1.00 1.73 H new ATOM 0 HG2 LYS A 31 -1.726 -4.254 13.869 1.00 1.80 H new ATOM 0 HG3 LYS A 31 -2.425 -2.703 14.288 1.00 1.80 H new ATOM 0 HD2 LYS A 31 -4.726 -4.029 13.940 1.00 2.09 H new ATOM 0 HD3 LYS A 31 -3.713 -5.422 14.261 1.00 2.09 H new ATOM 0 HE2 LYS A 31 -4.662 -4.647 16.360 1.00 2.48 H new ATOM 0 HE3 LYS A 31 -2.934 -4.356 16.382 1.00 2.48 H new ATOM 0 HZ1 LYS A 31 -4.611 -2.502 17.082 1.00 3.02 H new ATOM 0 HZ2 LYS A 31 -3.207 -2.102 16.214 1.00 3.02 H new ATOM 0 HZ3 LYS A 31 -4.700 -2.210 15.412 1.00 3.02 H new ATOM 547 N GLN A 32 -5.101 -4.657 11.086 1.00 1.67 N ATOM 548 CA GLN A 32 -6.377 -4.776 10.354 1.00 1.66 C ATOM 549 C GLN A 32 -6.497 -3.647 9.316 1.00 1.58 C ATOM 550 O GLN A 32 -5.708 -2.708 9.345 1.00 1.55 O ATOM 551 CB GLN A 32 -7.554 -4.725 11.339 1.00 1.78 C ATOM 552 CG GLN A 32 -8.406 -5.989 11.370 1.00 1.93 C ATOM 553 CD GLN A 32 -7.586 -7.250 11.552 1.00 2.33 C ATOM 554 OE1 GLN A 32 -7.155 -7.865 10.580 1.00 2.95 O ATOM 555 NE2 GLN A 32 -7.369 -7.644 12.802 1.00 2.75 N ATOM 0 H GLN A 32 -5.216 -4.496 12.087 1.00 1.67 H new ATOM 0 HA GLN A 32 -6.400 -5.733 9.832 1.00 1.66 H new ATOM 0 HB2 GLN A 32 -7.166 -4.539 12.340 1.00 1.78 H new ATOM 0 HB3 GLN A 32 -8.191 -3.879 11.081 1.00 1.78 H new ATOM 0 HG2 GLN A 32 -9.130 -5.913 12.181 1.00 1.93 H new ATOM 0 HG3 GLN A 32 -8.973 -6.061 10.442 1.00 1.93 H new ATOM 0 HE21 GLN A 32 -7.746 -7.103 13.580 1.00 2.75 H new ATOM 0 HE22 GLN A 32 -6.825 -8.488 12.984 1.00 2.75 H new ATOM 564 N ILE A 33 -7.513 -3.710 8.441 1.00 1.56 N ATOM 565 CA ILE A 33 -7.661 -2.724 7.356 1.00 1.51 C ATOM 566 C ILE A 33 -7.671 -1.257 7.827 1.00 1.50 C ATOM 567 O ILE A 33 -6.873 -0.469 7.314 1.00 1.47 O ATOM 568 CB ILE A 33 -8.941 -3.017 6.513 1.00 1.53 C ATOM 569 CG1 ILE A 33 -8.577 -3.813 5.259 1.00 1.90 C ATOM 570 CG2 ILE A 33 -9.683 -1.743 6.117 1.00 2.04 C ATOM 571 CD1 ILE A 33 -7.662 -3.069 4.306 1.00 2.36 C ATOM 0 H ILE A 33 -8.239 -4.426 8.462 1.00 1.56 H new ATOM 0 HA ILE A 33 -6.769 -2.841 6.740 1.00 1.51 H new ATOM 0 HB ILE A 33 -9.610 -3.603 7.143 1.00 1.53 H new ATOM 0 HG12 ILE A 33 -8.095 -4.744 5.558 1.00 1.90 H new ATOM 0 HG13 ILE A 33 -9.493 -4.083 4.733 1.00 1.90 H new ATOM 0 HG21 ILE A 33 -10.565 -2.003 5.532 1.00 2.04 H new ATOM 0 HG22 ILE A 33 -9.988 -1.206 7.015 1.00 2.04 H new ATOM 0 HG23 ILE A 33 -9.026 -1.110 5.521 1.00 2.04 H new ATOM 0 HD11 ILE A 33 -7.449 -3.697 3.441 1.00 2.36 H new ATOM 0 HD12 ILE A 33 -8.149 -2.151 3.976 1.00 2.36 H new ATOM 0 HD13 ILE A 33 -6.730 -2.823 4.814 1.00 2.36 H new ATOM 583 N ASN A 34 -8.518 -0.913 8.817 1.00 1.56 N ATOM 584 CA ASN A 34 -8.622 0.468 9.340 1.00 1.58 C ATOM 585 C ASN A 34 -8.434 1.517 8.229 1.00 1.57 C ATOM 586 O ASN A 34 -7.362 2.112 8.091 1.00 1.91 O ATOM 587 CB ASN A 34 -7.610 0.688 10.469 1.00 1.60 C ATOM 588 CG ASN A 34 -7.888 -0.196 11.671 1.00 1.73 C ATOM 589 OD1 ASN A 34 -8.719 0.132 12.519 1.00 2.14 O ATOM 590 ND2 ASN A 34 -7.186 -1.321 11.755 1.00 2.10 N ATOM 0 H ASN A 34 -9.144 -1.575 9.274 1.00 1.56 H new ATOM 0 HA ASN A 34 -9.628 0.595 9.739 1.00 1.58 H new ATOM 0 HB2 ASN A 34 -6.605 0.487 10.098 1.00 1.60 H new ATOM 0 HB3 ASN A 34 -7.633 1.734 10.776 1.00 1.60 H new ATOM 0 HD21 ASN A 34 -7.326 -1.951 12.545 1.00 2.10 H new ATOM 0 HD22 ASN A 34 -6.508 -1.554 11.030 1.00 2.10 H new ATOM 597 N LEU A 35 -9.495 1.739 7.454 1.00 1.38 N ATOM 598 CA LEU A 35 -9.460 2.661 6.315 1.00 1.34 C ATOM 599 C LEU A 35 -9.188 4.112 6.711 1.00 1.32 C ATOM 600 O LEU A 35 -8.216 4.705 6.247 1.00 1.28 O ATOM 601 CB LEU A 35 -10.781 2.577 5.545 1.00 1.40 C ATOM 602 CG LEU A 35 -10.714 2.959 4.057 1.00 1.43 C ATOM 603 CD1 LEU A 35 -10.689 4.466 3.889 1.00 1.47 C ATOM 604 CD2 LEU A 35 -9.498 2.340 3.386 1.00 1.52 C ATOM 0 H LEU A 35 -10.399 1.289 7.595 1.00 1.38 H new ATOM 0 HA LEU A 35 -8.626 2.348 5.687 1.00 1.34 H new ATOM 0 HB2 LEU A 35 -11.161 1.558 5.622 1.00 1.40 H new ATOM 0 HB3 LEU A 35 -11.507 3.226 6.035 1.00 1.40 H new ATOM 0 HG LEU A 35 -11.610 2.567 3.575 1.00 1.43 H new ATOM 0 HD11 LEU A 35 -10.642 4.713 2.828 1.00 1.47 H new ATOM 0 HD12 LEU A 35 -11.593 4.895 4.322 1.00 1.47 H new ATOM 0 HD13 LEU A 35 -9.815 4.874 4.396 1.00 1.47 H new ATOM 0 HD21 LEU A 35 -9.477 2.627 2.335 1.00 1.52 H new ATOM 0 HD22 LEU A 35 -8.592 2.694 3.877 1.00 1.52 H new ATOM 0 HD23 LEU A 35 -9.553 1.254 3.464 1.00 1.52 H new ATOM 616 N TRP A 36 -10.064 4.680 7.540 1.00 1.37 N ATOM 617 CA TRP A 36 -9.935 6.073 7.975 1.00 1.37 C ATOM 618 C TRP A 36 -8.527 6.389 8.510 1.00 1.32 C ATOM 619 O TRP A 36 -8.069 7.527 8.408 1.00 1.31 O ATOM 620 CB TRP A 36 -10.990 6.414 9.041 1.00 1.45 C ATOM 621 CG TRP A 36 -11.150 5.368 10.106 1.00 1.50 C ATOM 622 CD1 TRP A 36 -11.801 4.173 9.989 1.00 1.55 C ATOM 623 CD2 TRP A 36 -10.670 5.431 11.455 1.00 1.53 C ATOM 624 NE1 TRP A 36 -11.736 3.481 11.172 1.00 1.61 N ATOM 625 CE2 TRP A 36 -11.051 4.233 12.090 1.00 1.60 C ATOM 626 CE3 TRP A 36 -9.949 6.380 12.187 1.00 1.54 C ATOM 627 CZ2 TRP A 36 -10.736 3.962 13.419 1.00 1.66 C ATOM 628 CZ3 TRP A 36 -9.638 6.109 13.507 1.00 1.61 C ATOM 629 CH2 TRP A 36 -10.031 4.907 14.110 1.00 1.66 C ATOM 0 H TRP A 36 -10.874 4.195 7.926 1.00 1.37 H new ATOM 0 HA TRP A 36 -10.102 6.693 7.094 1.00 1.37 H new ATOM 0 HB2 TRP A 36 -10.721 7.359 9.513 1.00 1.45 H new ATOM 0 HB3 TRP A 36 -11.951 6.566 8.549 1.00 1.45 H new ATOM 0 HD1 TRP A 36 -12.295 3.823 9.095 1.00 1.55 H new ATOM 0 HE1 TRP A 36 -12.133 2.557 11.341 1.00 1.61 H new ATOM 0 HE3 TRP A 36 -9.640 7.308 11.729 1.00 1.54 H new ATOM 0 HZ2 TRP A 36 -11.038 3.037 13.887 1.00 1.66 H new ATOM 0 HZ3 TRP A 36 -9.083 6.836 14.082 1.00 1.61 H new ATOM 0 HH2 TRP A 36 -9.771 4.723 15.142 1.00 1.66 H new ATOM 640 N THR A 37 -7.846 5.385 9.079 1.00 1.32 N ATOM 641 CA THR A 37 -6.491 5.576 9.635 1.00 1.29 C ATOM 642 C THR A 37 -5.420 5.681 8.546 1.00 1.23 C ATOM 643 O THR A 37 -4.648 6.638 8.567 1.00 1.21 O ATOM 644 CB THR A 37 -6.120 4.451 10.617 1.00 1.34 C ATOM 645 OG1 THR A 37 -7.037 4.425 11.689 1.00 1.41 O ATOM 646 CG2 THR A 37 -4.740 4.635 11.253 1.00 1.35 C ATOM 0 H THR A 37 -8.206 4.435 9.168 1.00 1.32 H new ATOM 0 HA THR A 37 -6.519 6.524 10.173 1.00 1.29 H new ATOM 0 HB THR A 37 -6.132 3.535 10.026 1.00 1.34 H new ATOM 0 HG1 THR A 37 -7.694 5.144 11.575 1.00 1.41 H new ATOM 0 HG21 THR A 37 -4.540 3.808 11.934 1.00 1.35 H new ATOM 0 HG22 THR A 37 -3.979 4.654 10.473 1.00 1.35 H new ATOM 0 HG23 THR A 37 -4.716 5.574 11.806 1.00 1.35 H new ATOM 654 N MET A 38 -5.367 4.769 7.564 1.00 1.20 N ATOM 655 CA MET A 38 -4.423 4.924 6.436 1.00 1.15 C ATOM 656 C MET A 38 -4.719 6.184 5.600 1.00 1.13 C ATOM 657 O MET A 38 -3.798 6.803 5.072 1.00 1.11 O ATOM 658 CB MET A 38 -4.326 3.669 5.550 1.00 1.14 C ATOM 659 CG MET A 38 -5.639 3.233 4.896 1.00 1.17 C ATOM 660 SD MET A 38 -5.434 2.270 3.373 1.00 1.17 S ATOM 661 CE MET A 38 -6.347 0.756 3.772 1.00 1.25 C ATOM 0 H MET A 38 -5.950 3.933 7.522 1.00 1.20 H new ATOM 0 HA MET A 38 -3.441 5.055 6.891 1.00 1.15 H new ATOM 0 HB2 MET A 38 -3.591 3.853 4.766 1.00 1.14 H new ATOM 0 HB3 MET A 38 -3.948 2.845 6.155 1.00 1.14 H new ATOM 0 HG2 MET A 38 -6.208 2.640 5.612 1.00 1.17 H new ATOM 0 HG3 MET A 38 -6.232 4.120 4.673 1.00 1.17 H new ATOM 0 HE1 MET A 38 -6.719 0.303 2.853 1.00 1.25 H new ATOM 0 HE2 MET A 38 -5.685 0.055 4.280 1.00 1.25 H new ATOM 0 HE3 MET A 38 -7.187 0.998 4.423 1.00 1.25 H new ATOM 671 N PHE A 39 -5.991 6.594 5.540 1.00 1.17 N ATOM 672 CA PHE A 39 -6.383 7.862 4.930 1.00 1.19 C ATOM 673 C PHE A 39 -5.809 9.066 5.675 1.00 1.20 C ATOM 674 O PHE A 39 -5.025 9.810 5.088 1.00 1.20 O ATOM 675 CB PHE A 39 -7.903 7.962 4.804 1.00 1.25 C ATOM 676 CG PHE A 39 -8.348 9.287 4.209 1.00 1.30 C ATOM 677 CD1 PHE A 39 -8.017 9.600 2.876 1.00 1.30 C ATOM 678 CD2 PHE A 39 -9.045 10.224 4.994 1.00 1.36 C ATOM 679 CE1 PHE A 39 -8.395 10.835 2.323 1.00 1.37 C ATOM 680 CE2 PHE A 39 -9.410 11.468 4.446 1.00 1.43 C ATOM 681 CZ PHE A 39 -9.081 11.774 3.114 1.00 1.44 C ATOM 0 H PHE A 39 -6.773 6.055 5.913 1.00 1.17 H new ATOM 0 HA PHE A 39 -5.956 7.880 3.927 1.00 1.19 H new ATOM 0 HB2 PHE A 39 -8.268 7.146 4.180 1.00 1.25 H new ATOM 0 HB3 PHE A 39 -8.356 7.838 5.788 1.00 1.25 H new ATOM 0 HD1 PHE A 39 -7.470 8.887 2.276 1.00 1.30 H new ATOM 0 HD2 PHE A 39 -9.300 9.989 6.017 1.00 1.36 H new ATOM 0 HE1 PHE A 39 -8.160 11.063 1.294 1.00 1.37 H new ATOM 0 HE2 PHE A 39 -9.943 12.188 5.049 1.00 1.43 H new ATOM 0 HZ PHE A 39 -9.356 12.732 2.697 1.00 1.44 H new ATOM 691 N GLN A 40 -6.127 9.264 6.963 1.00 1.24 N ATOM 692 CA GLN A 40 -5.578 10.424 7.690 1.00 1.27 C ATOM 693 C GLN A 40 -4.040 10.387 7.799 1.00 1.25 C ATOM 694 O GLN A 40 -3.404 11.442 7.802 1.00 1.28 O ATOM 695 CB GLN A 40 -6.273 10.591 9.053 1.00 1.33 C ATOM 696 CG GLN A 40 -5.845 9.542 10.088 1.00 1.33 C ATOM 697 CD GLN A 40 -6.814 9.454 11.260 1.00 1.39 C ATOM 698 OE1 GLN A 40 -6.589 9.980 12.340 1.00 1.44 O ATOM 699 NE2 GLN A 40 -7.920 8.765 11.086 1.00 1.40 N ATOM 0 H GLN A 40 -6.740 8.660 7.510 1.00 1.24 H new ATOM 0 HA GLN A 40 -5.798 11.315 7.102 1.00 1.27 H new ATOM 0 HB2 GLN A 40 -6.056 11.585 9.444 1.00 1.33 H new ATOM 0 HB3 GLN A 40 -7.352 10.532 8.912 1.00 1.33 H new ATOM 0 HG2 GLN A 40 -5.773 8.567 9.605 1.00 1.33 H new ATOM 0 HG3 GLN A 40 -4.850 9.787 10.460 1.00 1.33 H new ATOM 0 HE21 GLN A 40 -8.110 8.325 10.186 1.00 1.40 H new ATOM 0 HE22 GLN A 40 -8.588 8.671 11.851 1.00 1.40 H new ATOM 708 N ALA A 41 -3.429 9.195 7.802 1.00 1.21 N ATOM 709 CA ALA A 41 -1.982 9.036 7.674 1.00 1.20 C ATOM 710 C ALA A 41 -1.468 9.551 6.321 1.00 1.18 C ATOM 711 O ALA A 41 -0.599 10.420 6.292 1.00 1.21 O ATOM 712 CB ALA A 41 -1.615 7.564 7.895 1.00 1.18 C ATOM 0 H ALA A 41 -3.931 8.312 7.894 1.00 1.21 H new ATOM 0 HA ALA A 41 -1.493 9.642 8.436 1.00 1.20 H new ATOM 0 HB1 ALA A 41 -0.536 7.440 7.801 1.00 1.18 H new ATOM 0 HB2 ALA A 41 -1.930 7.256 8.892 1.00 1.18 H new ATOM 0 HB3 ALA A 41 -2.118 6.948 7.150 1.00 1.18 H new ATOM 718 N ALA A 42 -2.041 9.106 5.199 1.00 1.14 N ATOM 719 CA ALA A 42 -1.698 9.617 3.872 1.00 1.14 C ATOM 720 C ALA A 42 -1.894 11.137 3.756 1.00 1.20 C ATOM 721 O ALA A 42 -1.058 11.813 3.171 1.00 1.23 O ATOM 722 CB ALA A 42 -2.508 8.864 2.808 1.00 1.11 C ATOM 0 H ALA A 42 -2.757 8.380 5.187 1.00 1.14 H new ATOM 0 HA ALA A 42 -0.635 9.439 3.707 1.00 1.14 H new ATOM 0 HB1 ALA A 42 -2.252 9.245 1.819 1.00 1.11 H new ATOM 0 HB2 ALA A 42 -2.275 7.800 2.859 1.00 1.11 H new ATOM 0 HB3 ALA A 42 -3.573 9.011 2.989 1.00 1.11 H new ATOM 728 N GLN A 43 -2.948 11.687 4.369 1.00 1.23 N ATOM 729 CA GLN A 43 -3.212 13.131 4.341 1.00 1.31 C ATOM 730 C GLN A 43 -2.183 13.935 5.163 1.00 1.35 C ATOM 731 O GLN A 43 -1.926 15.100 4.851 1.00 1.42 O ATOM 732 CB GLN A 43 -4.650 13.432 4.796 1.00 1.35 C ATOM 733 CG GLN A 43 -5.733 12.886 3.843 1.00 1.35 C ATOM 734 CD GLN A 43 -5.600 13.376 2.399 1.00 1.38 C ATOM 735 OE1 GLN A 43 -5.440 14.558 2.120 1.00 1.45 O ATOM 736 NE2 GLN A 43 -5.640 12.492 1.424 1.00 1.35 N ATOM 0 H GLN A 43 -3.637 11.149 4.895 1.00 1.23 H new ATOM 0 HA GLN A 43 -3.104 13.457 3.306 1.00 1.31 H new ATOM 0 HB2 GLN A 43 -4.804 13.006 5.787 1.00 1.35 H new ATOM 0 HB3 GLN A 43 -4.773 14.511 4.890 1.00 1.35 H new ATOM 0 HG2 GLN A 43 -5.693 11.797 3.851 1.00 1.35 H new ATOM 0 HG3 GLN A 43 -6.714 13.172 4.223 1.00 1.35 H new ATOM 0 HE21 GLN A 43 -5.772 11.503 1.637 1.00 1.35 H new ATOM 0 HE22 GLN A 43 -5.538 12.796 0.456 1.00 1.35 H new ATOM 745 N LYS A 44 -1.541 13.294 6.152 1.00 1.33 N ATOM 746 CA LYS A 44 -0.411 13.896 6.879 1.00 1.39 C ATOM 747 C LYS A 44 0.879 13.792 6.065 1.00 1.39 C ATOM 748 O LYS A 44 1.578 14.789 5.884 1.00 1.45 O ATOM 749 CB LYS A 44 -0.291 13.214 8.252 1.00 1.39 C ATOM 750 CG LYS A 44 0.693 13.939 9.182 1.00 1.47 C ATOM 751 CD LYS A 44 0.910 13.198 10.508 1.00 1.49 C ATOM 752 CE LYS A 44 -0.402 12.943 11.264 1.00 1.49 C ATOM 753 NZ LYS A 44 -0.139 12.378 12.612 1.00 1.53 N ATOM 0 H LYS A 44 -1.786 12.356 6.468 1.00 1.33 H new ATOM 0 HA LYS A 44 -0.589 14.960 7.033 1.00 1.39 H new ATOM 0 HB2 LYS A 44 -1.273 13.178 8.724 1.00 1.39 H new ATOM 0 HB3 LYS A 44 0.035 12.183 8.115 1.00 1.39 H new ATOM 0 HG2 LYS A 44 1.650 14.053 8.673 1.00 1.47 H new ATOM 0 HG3 LYS A 44 0.320 14.942 9.388 1.00 1.47 H new ATOM 0 HD2 LYS A 44 1.403 12.246 10.311 1.00 1.49 H new ATOM 0 HD3 LYS A 44 1.582 13.780 11.139 1.00 1.49 H new ATOM 0 HE2 LYS A 44 -0.958 13.876 11.359 1.00 1.49 H new ATOM 0 HE3 LYS A 44 -1.027 12.256 10.693 1.00 1.49 H new ATOM 0 HZ1 LYS A 44 -0.939 11.779 12.900 1.00 1.53 H new ATOM 0 HZ2 LYS A 44 0.729 11.806 12.585 1.00 1.53 H new ATOM 0 HZ3 LYS A 44 -0.022 13.152 13.296 1.00 1.53 H new ATOM 767 N LEU A 45 1.132 12.605 5.509 1.00 1.32 N ATOM 768 CA LEU A 45 2.251 12.382 4.584 1.00 1.32 C ATOM 769 C LEU A 45 2.050 13.007 3.163 1.00 1.34 C ATOM 770 O LEU A 45 2.830 12.709 2.256 1.00 1.34 O ATOM 771 CB LEU A 45 2.622 10.867 4.582 1.00 1.27 C ATOM 772 CG LEU A 45 3.326 10.249 5.828 1.00 1.30 C ATOM 773 CD1 LEU A 45 4.473 11.124 6.340 1.00 1.39 C ATOM 774 CD2 LEU A 45 2.402 9.958 7.008 1.00 1.29 C ATOM 0 H LEU A 45 0.570 11.772 5.685 1.00 1.32 H new ATOM 0 HA LEU A 45 3.113 12.937 4.953 1.00 1.32 H new ATOM 0 HB2 LEU A 45 1.703 10.306 4.414 1.00 1.27 H new ATOM 0 HB3 LEU A 45 3.266 10.689 3.721 1.00 1.27 H new ATOM 0 HG LEU A 45 3.702 9.298 5.451 1.00 1.30 H new ATOM 0 HD11 LEU A 45 4.932 10.651 7.208 1.00 1.39 H new ATOM 0 HD12 LEU A 45 5.219 11.242 5.554 1.00 1.39 H new ATOM 0 HD13 LEU A 45 4.086 12.103 6.622 1.00 1.39 H new ATOM 0 HD21 LEU A 45 2.981 9.530 7.827 1.00 1.29 H new ATOM 0 HD22 LEU A 45 1.933 10.884 7.340 1.00 1.29 H new ATOM 0 HD23 LEU A 45 1.631 9.251 6.701 1.00 1.29 H new ATOM 786 N GLY A 46 1.053 13.893 2.967 1.00 1.36 N ATOM 787 CA GLY A 46 0.976 14.727 1.737 1.00 1.42 C ATOM 788 C GLY A 46 -0.054 14.318 0.663 1.00 1.40 C ATOM 789 O GLY A 46 0.106 14.631 -0.520 1.00 1.44 O ATOM 0 H GLY A 46 0.296 14.053 3.632 1.00 1.36 H new ATOM 0 HA2 GLY A 46 0.759 15.752 2.038 1.00 1.42 H new ATOM 0 HA3 GLY A 46 1.962 14.733 1.272 1.00 1.42 H new ATOM 793 N GLY A 47 -1.098 13.618 1.100 1.00 1.34 N ATOM 794 CA GLY A 47 -2.060 12.961 0.220 1.00 1.32 C ATOM 795 C GLY A 47 -1.441 11.899 -0.693 1.00 1.28 C ATOM 796 O GLY A 47 -0.220 11.751 -0.795 1.00 1.27 O ATOM 0 H GLY A 47 -1.302 13.490 2.091 1.00 1.34 H new ATOM 0 HA2 GLY A 47 -2.835 12.496 0.829 1.00 1.32 H new ATOM 0 HA3 GLY A 47 -2.548 13.716 -0.396 1.00 1.32 H new ATOM 800 N TYR A 48 -2.306 11.182 -1.416 1.00 1.27 N ATOM 801 CA TYR A 48 -1.868 10.261 -2.475 1.00 1.26 C ATOM 802 C TYR A 48 -0.934 10.911 -3.519 1.00 1.32 C ATOM 803 O TYR A 48 -0.164 10.215 -4.182 1.00 1.31 O ATOM 804 CB TYR A 48 -3.107 9.654 -3.144 1.00 1.28 C ATOM 805 CG TYR A 48 -2.824 8.423 -3.987 1.00 1.26 C ATOM 806 CD1 TYR A 48 -2.679 7.169 -3.365 1.00 1.20 C ATOM 807 CD2 TYR A 48 -2.718 8.528 -5.388 1.00 1.33 C ATOM 808 CE1 TYR A 48 -2.463 6.012 -4.139 1.00 1.21 C ATOM 809 CE2 TYR A 48 -2.484 7.378 -6.164 1.00 1.33 C ATOM 810 CZ TYR A 48 -2.367 6.117 -5.542 1.00 1.27 C ATOM 811 OH TYR A 48 -2.169 5.008 -6.305 1.00 1.29 O ATOM 0 H TYR A 48 -3.317 11.220 -1.288 1.00 1.27 H new ATOM 0 HA TYR A 48 -1.268 9.481 -2.006 1.00 1.26 H new ATOM 0 HB2 TYR A 48 -3.831 9.392 -2.372 1.00 1.28 H new ATOM 0 HB3 TYR A 48 -3.573 10.412 -3.774 1.00 1.28 H new ATOM 0 HD1 TYR A 48 -2.734 7.093 -2.289 1.00 1.20 H new ATOM 0 HD2 TYR A 48 -2.816 9.491 -5.866 1.00 1.33 H new ATOM 0 HE1 TYR A 48 -2.371 5.048 -3.660 1.00 1.21 H new ATOM 0 HE2 TYR A 48 -2.394 7.461 -7.237 1.00 1.33 H new ATOM 0 HH TYR A 48 -2.129 5.264 -7.250 1.00 1.29 H new ATOM 821 N GLU A 49 -0.955 12.242 -3.659 1.00 1.39 N ATOM 822 CA GLU A 49 -0.153 12.933 -4.679 1.00 1.47 C ATOM 823 C GLU A 49 1.325 13.050 -4.291 1.00 1.46 C ATOM 824 O GLU A 49 2.191 12.678 -5.088 1.00 1.48 O ATOM 825 CB GLU A 49 -0.754 14.316 -4.964 1.00 1.57 C ATOM 826 CG GLU A 49 -2.025 14.179 -5.812 1.00 1.61 C ATOM 827 CD GLU A 49 -2.775 15.513 -5.922 1.00 1.71 C ATOM 828 OE1 GLU A 49 -2.305 16.437 -6.632 1.00 1.80 O ATOM 829 OE2 GLU A 49 -3.862 15.627 -5.306 1.00 1.72 O ATOM 0 H GLU A 49 -1.519 12.863 -3.079 1.00 1.39 H new ATOM 0 HA GLU A 49 -0.185 12.329 -5.586 1.00 1.47 H new ATOM 0 HB2 GLU A 49 -0.987 14.819 -4.026 1.00 1.57 H new ATOM 0 HB3 GLU A 49 -0.025 14.936 -5.486 1.00 1.57 H new ATOM 0 HG2 GLU A 49 -1.762 13.825 -6.809 1.00 1.61 H new ATOM 0 HG3 GLU A 49 -2.679 13.428 -5.370 1.00 1.61 H new ATOM 836 N THR A 50 1.643 13.474 -3.059 1.00 1.44 N ATOM 837 CA THR A 50 3.019 13.402 -2.542 1.00 1.45 C ATOM 838 C THR A 50 3.468 11.947 -2.424 1.00 1.37 C ATOM 839 O THR A 50 4.608 11.623 -2.755 1.00 1.40 O ATOM 840 CB THR A 50 3.180 14.105 -1.185 1.00 1.46 C ATOM 841 OG1 THR A 50 2.760 15.449 -1.284 1.00 1.54 O ATOM 842 CG2 THR A 50 4.632 14.147 -0.701 1.00 1.50 C ATOM 0 H THR A 50 0.969 13.869 -2.403 1.00 1.44 H new ATOM 0 HA THR A 50 3.650 13.927 -3.259 1.00 1.45 H new ATOM 0 HB THR A 50 2.578 13.529 -0.482 1.00 1.46 H new ATOM 0 HG1 THR A 50 1.807 15.511 -1.065 1.00 1.54 H new ATOM 0 HG21 THR A 50 4.680 14.656 0.262 1.00 1.50 H new ATOM 0 HG22 THR A 50 5.009 13.130 -0.593 1.00 1.50 H new ATOM 0 HG23 THR A 50 5.242 14.685 -1.427 1.00 1.50 H new ATOM 850 N ILE A 51 2.555 11.047 -2.041 1.00 1.30 N ATOM 851 CA ILE A 51 2.824 9.603 -2.024 1.00 1.24 C ATOM 852 C ILE A 51 3.283 9.082 -3.396 1.00 1.27 C ATOM 853 O ILE A 51 4.270 8.353 -3.469 1.00 1.27 O ATOM 854 CB ILE A 51 1.584 8.868 -1.450 1.00 1.18 C ATOM 855 CG1 ILE A 51 1.786 8.478 0.025 1.00 1.14 C ATOM 856 CG2 ILE A 51 1.159 7.624 -2.241 1.00 1.15 C ATOM 857 CD1 ILE A 51 1.758 9.687 0.973 1.00 1.17 C ATOM 0 H ILE A 51 1.614 11.296 -1.736 1.00 1.30 H new ATOM 0 HA ILE A 51 3.667 9.393 -1.366 1.00 1.24 H new ATOM 0 HB ILE A 51 0.778 9.596 -1.540 1.00 1.18 H new ATOM 0 HG12 ILE A 51 1.008 7.774 0.319 1.00 1.14 H new ATOM 0 HG13 ILE A 51 2.740 7.961 0.132 1.00 1.14 H new ATOM 0 HG21 ILE A 51 0.286 7.174 -1.769 1.00 1.15 H new ATOM 0 HG22 ILE A 51 0.912 7.910 -3.264 1.00 1.15 H new ATOM 0 HG23 ILE A 51 1.977 6.903 -2.253 1.00 1.15 H new ATOM 0 HD11 ILE A 51 1.906 9.349 1.999 1.00 1.17 H new ATOM 0 HD12 ILE A 51 2.554 10.381 0.702 1.00 1.17 H new ATOM 0 HD13 ILE A 51 0.795 10.190 0.892 1.00 1.17 H new ATOM 869 N THR A 52 2.616 9.477 -4.478 1.00 1.30 N ATOM 870 CA THR A 52 2.989 9.039 -5.836 1.00 1.35 C ATOM 871 C THR A 52 4.263 9.722 -6.330 1.00 1.42 C ATOM 872 O THR A 52 5.097 9.071 -6.963 1.00 1.45 O ATOM 873 CB THR A 52 1.825 9.278 -6.810 1.00 1.39 C ATOM 874 OG1 THR A 52 0.727 8.505 -6.375 1.00 1.34 O ATOM 875 CG2 THR A 52 2.117 8.821 -8.239 1.00 1.45 C ATOM 0 H THR A 52 1.810 10.102 -4.448 1.00 1.30 H new ATOM 0 HA THR A 52 3.199 7.970 -5.793 1.00 1.35 H new ATOM 0 HB THR A 52 1.642 10.352 -6.818 1.00 1.39 H new ATOM 0 HG1 THR A 52 0.296 8.948 -5.614 1.00 1.34 H new ATOM 0 HG21 THR A 52 1.251 9.021 -8.869 1.00 1.45 H new ATOM 0 HG22 THR A 52 2.980 9.363 -8.625 1.00 1.45 H new ATOM 0 HG23 THR A 52 2.329 7.752 -8.243 1.00 1.45 H new ATOM 883 N ALA A 53 4.462 10.993 -5.979 1.00 1.47 N ATOM 884 CA ALA A 53 5.690 11.717 -6.309 1.00 1.55 C ATOM 885 C ALA A 53 6.937 11.221 -5.541 1.00 1.54 C ATOM 886 O ALA A 53 8.053 11.443 -6.021 1.00 1.61 O ATOM 887 CB ALA A 53 5.444 13.208 -6.047 1.00 1.61 C ATOM 0 H ALA A 53 3.780 11.547 -5.461 1.00 1.47 H new ATOM 0 HA ALA A 53 5.917 11.533 -7.359 1.00 1.55 H new ATOM 0 HB1 ALA A 53 6.345 13.773 -6.285 1.00 1.61 H new ATOM 0 HB2 ALA A 53 4.622 13.556 -6.672 1.00 1.61 H new ATOM 0 HB3 ALA A 53 5.190 13.356 -4.997 1.00 1.61 H new ATOM 893 N ARG A 54 6.769 10.565 -4.376 1.00 1.47 N ATOM 894 CA ARG A 54 7.913 10.271 -3.473 1.00 1.49 C ATOM 895 C ARG A 54 8.013 8.831 -2.945 1.00 1.44 C ATOM 896 O ARG A 54 9.013 8.508 -2.303 1.00 1.48 O ATOM 897 CB ARG A 54 7.861 11.239 -2.271 1.00 1.51 C ATOM 898 CG ARG A 54 7.952 12.742 -2.599 1.00 1.59 C ATOM 899 CD ARG A 54 9.289 13.168 -3.230 1.00 1.68 C ATOM 900 NE ARG A 54 10.447 12.880 -2.358 1.00 1.72 N ATOM 901 CZ ARG A 54 10.875 13.586 -1.325 1.00 1.77 C ATOM 902 NH1 ARG A 54 10.290 14.687 -0.940 1.00 1.79 N ATOM 903 NH2 ARG A 54 11.917 13.196 -0.651 1.00 1.82 N ATOM 0 H ARG A 54 5.867 10.230 -4.036 1.00 1.47 H new ATOM 0 HA ARG A 54 8.800 10.406 -4.092 1.00 1.49 H new ATOM 0 HB2 ARG A 54 6.931 11.063 -1.730 1.00 1.51 H new ATOM 0 HB3 ARG A 54 8.677 10.987 -1.593 1.00 1.51 H new ATOM 0 HG2 ARG A 54 7.142 13.004 -3.279 1.00 1.59 H new ATOM 0 HG3 ARG A 54 7.797 13.313 -1.683 1.00 1.59 H new ATOM 0 HD2 ARG A 54 9.418 12.652 -4.181 1.00 1.68 H new ATOM 0 HD3 ARG A 54 9.260 14.236 -3.448 1.00 1.68 H new ATOM 0 HE ARG A 54 10.978 12.038 -2.579 1.00 1.72 H new ATOM 0 HH11 ARG A 54 9.471 15.032 -1.441 1.00 1.79 H new ATOM 0 HH12 ARG A 54 10.651 15.203 -0.138 1.00 1.79 H new ATOM 0 HH21 ARG A 54 12.407 12.343 -0.919 1.00 1.82 H new ATOM 0 HH22 ARG A 54 12.244 13.744 0.145 1.00 1.82 H new ATOM 917 N ARG A 55 7.020 7.964 -3.197 1.00 1.37 N ATOM 918 CA ARG A 55 6.864 6.628 -2.566 1.00 1.32 C ATOM 919 C ARG A 55 6.936 6.758 -1.040 1.00 1.31 C ATOM 920 O ARG A 55 7.743 6.140 -0.347 1.00 1.35 O ATOM 921 CB ARG A 55 7.820 5.587 -3.199 1.00 1.37 C ATOM 922 CG ARG A 55 7.880 5.633 -4.742 1.00 1.40 C ATOM 923 CD ARG A 55 6.524 5.461 -5.449 1.00 1.35 C ATOM 924 NE ARG A 55 6.362 6.415 -6.568 1.00 1.40 N ATOM 925 CZ ARG A 55 6.818 6.313 -7.801 1.00 1.46 C ATOM 926 NH1 ARG A 55 7.503 5.285 -8.218 1.00 1.49 N ATOM 927 NH2 ARG A 55 6.586 7.277 -8.641 1.00 1.51 N ATOM 0 H ARG A 55 6.277 8.172 -3.864 1.00 1.37 H new ATOM 0 HA ARG A 55 5.872 6.226 -2.775 1.00 1.32 H new ATOM 0 HB2 ARG A 55 8.823 5.745 -2.803 1.00 1.37 H new ATOM 0 HB3 ARG A 55 7.509 4.590 -2.889 1.00 1.37 H new ATOM 0 HG2 ARG A 55 8.313 6.586 -5.046 1.00 1.40 H new ATOM 0 HG3 ARG A 55 8.556 4.851 -5.088 1.00 1.40 H new ATOM 0 HD2 ARG A 55 6.437 4.442 -5.825 1.00 1.35 H new ATOM 0 HD3 ARG A 55 5.718 5.605 -4.729 1.00 1.35 H new ATOM 0 HE ARG A 55 5.830 7.260 -6.359 1.00 1.40 H new ATOM 0 HH11 ARG A 55 7.707 4.515 -7.580 1.00 1.49 H new ATOM 0 HH12 ARG A 55 7.835 5.251 -9.182 1.00 1.49 H new ATOM 0 HH21 ARG A 55 6.058 8.097 -8.343 1.00 1.51 H new ATOM 0 HH22 ARG A 55 6.932 7.213 -9.598 1.00 1.51 H new ATOM 941 N GLN A 56 6.041 7.624 -0.554 1.00 1.28 N ATOM 942 CA GLN A 56 6.028 8.029 0.856 1.00 1.29 C ATOM 943 C GLN A 56 5.283 7.025 1.762 1.00 1.24 C ATOM 944 O GLN A 56 5.222 7.239 2.972 1.00 1.25 O ATOM 945 CB GLN A 56 5.462 9.458 0.992 1.00 1.30 C ATOM 946 CG GLN A 56 6.167 10.312 2.062 1.00 1.37 C ATOM 947 CD GLN A 56 7.408 11.029 1.524 1.00 1.46 C ATOM 948 OE1 GLN A 56 8.611 10.589 1.823 1.00 1.49 O flip ATOM 949 NE2 GLN A 56 7.316 12.022 0.816 1.00 1.51 N flip ATOM 0 H GLN A 56 5.313 8.060 -1.119 1.00 1.28 H new ATOM 0 HA GLN A 56 7.060 8.029 1.207 1.00 1.29 H new ATOM 0 HB2 GLN A 56 5.542 9.962 0.029 1.00 1.30 H new ATOM 0 HB3 GLN A 56 4.401 9.396 1.233 1.00 1.30 H new ATOM 0 HG2 GLN A 56 5.466 11.051 2.451 1.00 1.37 H new ATOM 0 HG3 GLN A 56 6.455 9.674 2.898 1.00 1.37 H new ATOM 0 HE21 GLN A 56 6.397 12.387 0.567 1.00 1.51 H new ATOM 0 HE22 GLN A 56 8.158 12.485 0.475 1.00 1.51 H new ATOM 958 N TRP A 57 4.754 5.911 1.228 1.00 1.19 N ATOM 959 CA TRP A 57 4.131 4.836 2.022 1.00 1.17 C ATOM 960 C TRP A 57 5.039 4.290 3.126 1.00 1.24 C ATOM 961 O TRP A 57 4.544 3.958 4.200 1.00 1.24 O ATOM 962 CB TRP A 57 3.637 3.686 1.138 1.00 1.15 C ATOM 963 CG TRP A 57 2.443 4.010 0.310 1.00 1.11 C ATOM 964 CD1 TRP A 57 2.451 4.369 -0.990 1.00 1.11 C ATOM 965 CD2 TRP A 57 1.046 4.010 0.728 1.00 1.07 C ATOM 966 NE1 TRP A 57 1.157 4.619 -1.395 1.00 1.09 N ATOM 967 CE2 TRP A 57 0.249 4.430 -0.376 1.00 1.07 C ATOM 968 CE3 TRP A 57 0.374 3.716 1.933 1.00 1.07 C ATOM 969 CZ2 TRP A 57 -1.142 4.581 -0.281 1.00 1.06 C ATOM 970 CZ3 TRP A 57 -1.019 3.847 2.038 1.00 1.06 C ATOM 971 CH2 TRP A 57 -1.772 4.284 0.938 1.00 1.06 C ATOM 0 H TRP A 57 4.746 5.729 0.224 1.00 1.19 H new ATOM 0 HA TRP A 57 3.275 5.303 2.508 1.00 1.17 H new ATOM 0 HB2 TRP A 57 4.448 3.378 0.478 1.00 1.15 H new ATOM 0 HB3 TRP A 57 3.402 2.832 1.773 1.00 1.15 H new ATOM 0 HD1 TRP A 57 3.329 4.448 -1.613 1.00 1.11 H new ATOM 0 HE1 TRP A 57 0.902 4.910 -2.339 1.00 1.09 H new ATOM 0 HE3 TRP A 57 0.942 3.384 2.790 1.00 1.07 H new ATOM 0 HZ2 TRP A 57 -1.718 4.919 -1.130 1.00 1.06 H new ATOM 0 HZ3 TRP A 57 -1.513 3.611 2.969 1.00 1.06 H new ATOM 0 HH2 TRP A 57 -2.843 4.393 1.029 1.00 1.06 H new ATOM 982 N LYS A 58 6.355 4.300 2.960 1.00 1.32 N ATOM 983 CA LYS A 58 7.216 3.851 4.058 1.00 1.42 C ATOM 984 C LYS A 58 7.050 4.790 5.270 1.00 1.43 C ATOM 985 O LYS A 58 7.207 4.376 6.419 1.00 1.51 O ATOM 986 CB LYS A 58 8.687 3.791 3.643 1.00 1.54 C ATOM 987 CG LYS A 58 9.598 3.315 4.766 1.00 1.98 C ATOM 988 CD LYS A 58 11.003 3.016 4.272 1.00 2.07 C ATOM 989 CE LYS A 58 11.903 2.536 5.403 1.00 2.58 C ATOM 990 NZ LYS A 58 13.117 1.836 4.894 1.00 2.89 N ATOM 0 H LYS A 58 6.839 4.600 2.114 1.00 1.32 H new ATOM 0 HA LYS A 58 6.909 2.841 4.328 1.00 1.42 H new ATOM 0 HB2 LYS A 58 8.792 3.123 2.788 1.00 1.54 H new ATOM 0 HB3 LYS A 58 9.008 4.780 3.315 1.00 1.54 H new ATOM 0 HG2 LYS A 58 9.642 4.077 5.544 1.00 1.98 H new ATOM 0 HG3 LYS A 58 9.175 2.419 5.220 1.00 1.98 H new ATOM 0 HD2 LYS A 58 10.961 2.256 3.492 1.00 2.07 H new ATOM 0 HD3 LYS A 58 11.430 3.912 3.822 1.00 2.07 H new ATOM 0 HE2 LYS A 58 12.205 3.388 6.012 1.00 2.58 H new ATOM 0 HE3 LYS A 58 11.342 1.863 6.052 1.00 2.58 H new ATOM 0 HZ1 LYS A 58 13.941 2.109 5.467 1.00 2.89 H new ATOM 0 HZ2 LYS A 58 12.977 0.807 4.957 1.00 2.89 H new ATOM 0 HZ3 LYS A 58 13.281 2.103 3.902 1.00 2.89 H new ATOM 1004 N HIS A 59 6.737 6.061 4.992 1.00 1.39 N ATOM 1005 CA HIS A 59 6.523 7.064 6.040 1.00 1.40 C ATOM 1006 C HIS A 59 5.146 6.874 6.698 1.00 1.32 C ATOM 1007 O HIS A 59 4.963 7.196 7.869 1.00 1.35 O ATOM 1008 CB HIS A 59 6.716 8.474 5.479 1.00 1.43 C ATOM 1009 CG HIS A 59 8.095 8.686 4.914 1.00 1.58 C ATOM 1010 ND1 HIS A 59 8.723 8.103 3.861 1.00 1.81 N flip ATOM 1011 CD2 HIS A 59 9.007 9.566 5.459 1.00 1.59 C flip ATOM 1012 CE1 HIS A 59 9.987 8.633 3.792 1.00 1.93 C flip ATOM 1013 NE2 HIS A 59 10.134 9.514 4.766 1.00 1.79 N flip ATOM 0 H HIS A 59 6.626 6.420 4.044 1.00 1.39 H new ATOM 0 HA HIS A 59 7.269 6.927 6.823 1.00 1.40 H new ATOM 0 HB2 HIS A 59 5.976 8.656 4.700 1.00 1.43 H new ATOM 0 HB3 HIS A 59 6.534 9.204 6.268 1.00 1.43 H new ATOM 0 HD2 HIS A 59 8.830 10.198 6.316 1.00 1.59 H new ATOM 0 HE1 HIS A 59 10.739 8.373 3.061 1.00 1.93 H new ATOM 0 HE2 HIS A 59 10.974 10.062 4.952 1.00 1.79 H new ATOM 1022 N ILE A 60 4.170 6.400 5.916 1.00 1.23 N ATOM 1023 CA ILE A 60 2.847 6.037 6.447 1.00 1.20 C ATOM 1024 C ILE A 60 3.064 4.896 7.437 1.00 1.27 C ATOM 1025 O ILE A 60 2.567 4.989 8.548 1.00 1.33 O ATOM 1026 CB ILE A 60 1.827 5.692 5.340 1.00 1.15 C ATOM 1027 CG1 ILE A 60 1.446 6.997 4.607 1.00 1.14 C ATOM 1028 CG2 ILE A 60 0.578 5.002 5.929 1.00 1.18 C ATOM 1029 CD1 ILE A 60 0.601 6.788 3.349 1.00 1.14 C ATOM 0 H ILE A 60 4.270 6.258 4.911 1.00 1.23 H new ATOM 0 HA ILE A 60 2.398 6.891 6.953 1.00 1.20 H new ATOM 0 HB ILE A 60 2.273 4.990 4.635 1.00 1.15 H new ATOM 0 HG12 ILE A 60 0.898 7.640 5.296 1.00 1.14 H new ATOM 0 HG13 ILE A 60 2.359 7.526 4.334 1.00 1.14 H new ATOM 0 HG21 ILE A 60 -0.122 4.771 5.126 1.00 1.18 H new ATOM 0 HG22 ILE A 60 0.874 4.080 6.429 1.00 1.18 H new ATOM 0 HG23 ILE A 60 0.100 5.667 6.648 1.00 1.18 H new ATOM 0 HD11 ILE A 60 0.378 7.754 2.896 1.00 1.14 H new ATOM 0 HD12 ILE A 60 1.153 6.173 2.638 1.00 1.14 H new ATOM 0 HD13 ILE A 60 -0.330 6.288 3.615 1.00 1.14 H new ATOM 1041 N TYR A 61 3.899 3.901 7.111 1.00 1.31 N ATOM 1042 CA TYR A 61 4.371 2.876 8.056 1.00 1.43 C ATOM 1043 C TYR A 61 4.993 3.484 9.335 1.00 1.53 C ATOM 1044 O TYR A 61 4.856 2.924 10.424 1.00 1.64 O ATOM 1045 CB TYR A 61 5.357 1.953 7.324 1.00 1.46 C ATOM 1046 CG TYR A 61 6.084 0.937 8.185 1.00 1.62 C ATOM 1047 CD1 TYR A 61 5.460 -0.276 8.543 1.00 1.68 C ATOM 1048 CD2 TYR A 61 7.408 1.195 8.595 1.00 1.73 C ATOM 1049 CE1 TYR A 61 6.160 -1.233 9.307 1.00 1.84 C ATOM 1050 CE2 TYR A 61 8.109 0.241 9.357 1.00 1.89 C ATOM 1051 CZ TYR A 61 7.489 -0.975 9.713 1.00 1.94 C ATOM 1052 OH TYR A 61 8.189 -1.891 10.436 1.00 2.11 O ATOM 0 H TYR A 61 4.272 3.782 6.169 1.00 1.31 H new ATOM 0 HA TYR A 61 3.514 2.297 8.401 1.00 1.43 H new ATOM 0 HB2 TYR A 61 4.813 1.417 6.546 1.00 1.46 H new ATOM 0 HB3 TYR A 61 6.100 2.573 6.823 1.00 1.46 H new ATOM 0 HD1 TYR A 61 4.445 -0.472 8.232 1.00 1.68 H new ATOM 0 HD2 TYR A 61 7.885 2.125 8.324 1.00 1.73 H new ATOM 0 HE1 TYR A 61 5.681 -2.161 9.581 1.00 1.84 H new ATOM 0 HE2 TYR A 61 9.123 0.441 9.670 1.00 1.89 H new ATOM 0 HH TYR A 61 9.086 -1.543 10.624 1.00 2.11 H new ATOM 1062 N ASP A 62 5.609 4.662 9.193 1.00 1.52 N ATOM 1063 CA ASP A 62 6.114 5.429 10.342 1.00 1.62 C ATOM 1064 C ASP A 62 4.974 5.950 11.234 1.00 1.61 C ATOM 1065 O ASP A 62 4.960 5.681 12.437 1.00 1.72 O ATOM 1066 CB ASP A 62 7.103 6.534 9.937 1.00 1.65 C ATOM 1067 CG ASP A 62 7.852 7.073 11.166 1.00 1.79 C ATOM 1068 OD1 ASP A 62 8.791 6.397 11.649 1.00 1.92 O ATOM 1069 OD2 ASP A 62 7.516 8.183 11.648 1.00 1.79 O ATOM 0 H ASP A 62 5.772 5.109 8.291 1.00 1.52 H new ATOM 0 HA ASP A 62 6.689 4.730 10.948 1.00 1.62 H new ATOM 0 HB2 ASP A 62 7.817 6.142 9.213 1.00 1.65 H new ATOM 0 HB3 ASP A 62 6.567 7.347 9.447 1.00 1.65 H new ATOM 1074 N GLU A 63 3.969 6.611 10.649 1.00 1.50 N ATOM 1075 CA GLU A 63 2.751 6.999 11.383 1.00 1.50 C ATOM 1076 C GLU A 63 1.925 5.804 11.923 1.00 1.56 C ATOM 1077 O GLU A 63 1.384 5.891 13.028 1.00 1.66 O ATOM 1078 CB GLU A 63 1.903 7.908 10.479 1.00 1.41 C ATOM 1079 CG GLU A 63 0.623 8.450 11.134 1.00 1.44 C ATOM 1080 CD GLU A 63 0.865 9.283 12.404 1.00 1.53 C ATOM 1081 OE1 GLU A 63 1.761 10.161 12.406 1.00 1.53 O ATOM 1082 OE2 GLU A 63 0.097 9.150 13.385 1.00 1.61 O ATOM 0 H GLU A 63 3.972 6.891 9.668 1.00 1.50 H new ATOM 0 HA GLU A 63 3.064 7.536 12.278 1.00 1.50 H new ATOM 0 HB2 GLU A 63 2.515 8.751 10.157 1.00 1.41 H new ATOM 0 HB3 GLU A 63 1.629 7.352 9.582 1.00 1.41 H new ATOM 0 HG2 GLU A 63 0.089 9.063 10.408 1.00 1.44 H new ATOM 0 HG3 GLU A 63 -0.027 7.611 11.382 1.00 1.44 H new ATOM 1089 N LEU A 64 1.854 4.674 11.202 1.00 1.54 N ATOM 1090 CA LEU A 64 1.228 3.423 11.668 1.00 1.64 C ATOM 1091 C LEU A 64 1.954 2.826 12.889 1.00 1.79 C ATOM 1092 O LEU A 64 1.340 2.090 13.667 1.00 1.90 O ATOM 1093 CB LEU A 64 1.194 2.349 10.550 1.00 1.59 C ATOM 1094 CG LEU A 64 0.361 2.655 9.293 1.00 1.48 C ATOM 1095 CD1 LEU A 64 0.438 1.482 8.315 1.00 1.46 C ATOM 1096 CD2 LEU A 64 -1.108 2.948 9.606 1.00 1.53 C ATOM 0 H LEU A 64 2.237 4.601 10.260 1.00 1.54 H new ATOM 0 HA LEU A 64 0.211 3.693 11.953 1.00 1.64 H new ATOM 0 HB2 LEU A 64 2.220 2.159 10.235 1.00 1.59 H new ATOM 0 HB3 LEU A 64 0.818 1.423 10.985 1.00 1.59 H new ATOM 0 HG LEU A 64 0.789 3.554 8.850 1.00 1.48 H new ATOM 0 HD11 LEU A 64 -0.155 1.708 7.429 1.00 1.46 H new ATOM 0 HD12 LEU A 64 1.476 1.317 8.025 1.00 1.46 H new ATOM 0 HD13 LEU A 64 0.048 0.583 8.793 1.00 1.46 H new ATOM 0 HD21 LEU A 64 -1.643 3.156 8.679 1.00 1.53 H new ATOM 0 HD22 LEU A 64 -1.555 2.083 10.097 1.00 1.53 H new ATOM 0 HD23 LEU A 64 -1.174 3.814 10.265 1.00 1.53 H new ATOM 1108 N GLY A 65 3.278 2.688 12.790 1.00 1.82 N ATOM 1109 CA GLY A 65 4.005 2.081 13.913 1.00 2.01 C ATOM 1110 C GLY A 65 5.271 1.343 13.472 1.00 2.12 C ATOM 1111 O GLY A 65 5.687 1.436 12.322 1.00 1.99 O ATOM 0 H GLY A 65 3.846 2.970 11.991 1.00 1.82 H new ATOM 0 HA2 GLY A 65 4.274 2.858 14.628 1.00 2.01 H new ATOM 0 HA3 GLY A 65 3.346 1.385 14.432 1.00 2.01 H new ATOM 1115 N GLY A 66 5.879 0.576 14.393 1.00 2.43 N ATOM 1116 CA GLY A 66 7.022 -0.266 14.019 1.00 2.61 C ATOM 1117 C GLY A 66 6.590 -1.743 13.839 1.00 2.81 C ATOM 1118 O GLY A 66 5.803 -2.246 14.641 1.00 3.02 O ATOM 0 H GLY A 66 5.606 0.523 15.374 1.00 2.43 H new ATOM 0 HA2 GLY A 66 7.462 0.103 13.093 1.00 2.61 H new ATOM 0 HA3 GLY A 66 7.793 -0.200 14.787 1.00 2.61 H new ATOM 1122 N ASN A 67 7.125 -2.447 12.820 1.00 2.79 N ATOM 1123 CA ASN A 67 6.783 -3.876 12.561 1.00 3.02 C ATOM 1124 C ASN A 67 8.050 -4.677 12.169 1.00 3.12 C ATOM 1125 O ASN A 67 8.438 -4.693 10.996 1.00 2.83 O ATOM 1126 CB ASN A 67 5.705 -3.989 11.456 1.00 2.85 C ATOM 1127 CG ASN A 67 5.111 -5.389 11.320 1.00 3.14 C ATOM 1128 OD1 ASN A 67 4.774 -6.027 12.315 1.00 3.57 O ATOM 1129 ND2 ASN A 67 4.985 -5.875 10.078 1.00 3.34 N ATOM 0 H ASN A 67 7.796 -2.056 12.159 1.00 2.79 H new ATOM 0 HA ASN A 67 6.377 -4.302 13.479 1.00 3.02 H new ATOM 0 HB2 ASN A 67 4.903 -3.283 11.670 1.00 2.85 H new ATOM 0 HB3 ASN A 67 6.143 -3.695 10.502 1.00 2.85 H new ATOM 0 HD21 ASN A 67 4.597 -6.807 9.932 1.00 3.34 H new ATOM 0 HD22 ASN A 67 5.277 -5.313 9.278 1.00 3.34 H new ATOM 1136 N PRO A 68 8.705 -5.348 13.154 1.00 3.59 N ATOM 1137 CA PRO A 68 9.951 -6.123 12.942 1.00 3.82 C ATOM 1138 C PRO A 68 9.950 -7.124 11.767 1.00 3.69 C ATOM 1139 O PRO A 68 9.090 -8.001 11.679 1.00 3.80 O ATOM 1140 CB PRO A 68 10.139 -6.900 14.260 1.00 4.46 C ATOM 1141 CG PRO A 68 8.925 -6.637 15.092 1.00 4.52 C ATOM 1142 CD PRO A 68 8.305 -5.371 14.573 1.00 3.98 C ATOM 0 HA PRO A 68 10.747 -5.426 12.680 1.00 3.82 H new ATOM 0 HB2 PRO A 68 10.252 -7.967 14.067 1.00 4.46 H new ATOM 0 HB3 PRO A 68 11.041 -6.572 14.777 1.00 4.46 H new ATOM 0 HG2 PRO A 68 8.222 -7.467 15.023 1.00 4.52 H new ATOM 0 HG3 PRO A 68 9.193 -6.533 16.143 1.00 4.52 H new ATOM 0 HD2 PRO A 68 7.221 -5.380 14.684 1.00 3.98 H new ATOM 0 HD3 PRO A 68 8.673 -4.495 15.108 1.00 3.98 H new ATOM 1150 N GLY A 69 10.950 -6.977 10.876 1.00 3.53 N ATOM 1151 CA GLY A 69 11.126 -7.899 9.749 1.00 3.44 C ATOM 1152 C GLY A 69 10.559 -7.432 8.413 1.00 2.86 C ATOM 1153 O GLY A 69 10.832 -8.053 7.384 1.00 2.82 O ATOM 0 H GLY A 69 11.643 -6.230 10.919 1.00 3.53 H new ATOM 0 HA2 GLY A 69 12.192 -8.089 9.623 1.00 3.44 H new ATOM 0 HA3 GLY A 69 10.661 -8.850 10.007 1.00 3.44 H new ATOM 1157 N SER A 70 9.784 -6.354 8.410 1.00 2.44 N ATOM 1158 CA SER A 70 9.169 -5.870 7.173 1.00 2.00 C ATOM 1159 C SER A 70 9.592 -4.440 6.802 1.00 1.53 C ATOM 1160 O SER A 70 9.461 -3.521 7.609 1.00 1.46 O ATOM 1161 CB SER A 70 7.650 -5.947 7.315 1.00 2.18 C ATOM 1162 OG SER A 70 7.003 -5.562 6.118 1.00 2.80 O ATOM 0 H SER A 70 9.566 -5.801 9.239 1.00 2.44 H new ATOM 0 HA SER A 70 9.517 -6.510 6.362 1.00 2.00 H new ATOM 0 HB2 SER A 70 7.358 -6.964 7.578 1.00 2.18 H new ATOM 0 HB3 SER A 70 7.325 -5.301 8.131 1.00 2.18 H new ATOM 0 HG SER A 70 6.088 -5.913 6.113 1.00 2.80 H new ATOM 1168 N THR A 71 10.086 -4.259 5.569 1.00 1.44 N ATOM 1169 CA THR A 71 10.493 -2.934 5.090 1.00 1.46 C ATOM 1170 C THR A 71 9.554 -2.437 3.980 1.00 1.45 C ATOM 1171 O THR A 71 9.740 -1.345 3.439 1.00 1.87 O ATOM 1172 CB THR A 71 11.960 -2.918 4.581 1.00 1.83 C ATOM 1173 OG1 THR A 71 12.384 -1.566 4.358 1.00 2.27 O ATOM 1174 CG2 THR A 71 12.117 -3.715 3.290 1.00 2.08 C ATOM 0 H THR A 71 10.212 -5.010 4.890 1.00 1.44 H new ATOM 0 HA THR A 71 10.427 -2.261 5.945 1.00 1.46 H new ATOM 0 HB THR A 71 12.580 -3.383 5.347 1.00 1.83 H new ATOM 0 HG1 THR A 71 11.638 -1.045 3.993 1.00 2.27 H new ATOM 0 HG21 THR A 71 13.157 -3.680 2.965 1.00 2.08 H new ATOM 0 HG22 THR A 71 11.826 -4.751 3.464 1.00 2.08 H new ATOM 0 HG23 THR A 71 11.481 -3.284 2.517 1.00 2.08 H new ATOM 1182 N SER A 72 8.537 -3.237 3.658 1.00 1.38 N ATOM 1183 CA SER A 72 7.576 -2.878 2.613 1.00 1.57 C ATOM 1184 C SER A 72 6.145 -3.230 3.039 1.00 1.49 C ATOM 1185 O SER A 72 5.354 -3.735 2.237 1.00 1.91 O ATOM 1186 CB SER A 72 7.935 -3.612 1.317 1.00 2.05 C ATOM 1187 OG SER A 72 7.343 -3.000 0.187 1.00 2.49 O ATOM 0 H SER A 72 8.357 -4.136 4.104 1.00 1.38 H new ATOM 0 HA SER A 72 7.624 -1.801 2.449 1.00 1.57 H new ATOM 0 HB2 SER A 72 9.018 -3.628 1.196 1.00 2.05 H new ATOM 0 HB3 SER A 72 7.606 -4.649 1.383 1.00 2.05 H new ATOM 0 HG SER A 72 6.640 -3.582 -0.170 1.00 2.49 H new ATOM 1193 N ALA A 73 5.813 -2.939 4.299 1.00 1.18 N ATOM 1194 CA ALA A 73 4.485 -3.248 4.841 1.00 1.24 C ATOM 1195 C ALA A 73 3.402 -2.288 4.342 1.00 1.27 C ATOM 1196 O ALA A 73 2.315 -2.721 3.962 1.00 1.39 O ATOM 1197 CB ALA A 73 4.529 -3.258 6.364 1.00 1.32 C ATOM 0 H ALA A 73 6.444 -2.490 4.963 1.00 1.18 H new ATOM 0 HA ALA A 73 4.215 -4.240 4.478 1.00 1.24 H new ATOM 0 HB1 ALA A 73 3.538 -3.488 6.755 1.00 1.32 H new ATOM 0 HB2 ALA A 73 5.238 -4.014 6.703 1.00 1.32 H new ATOM 0 HB3 ALA A 73 4.843 -2.279 6.725 1.00 1.32 H new ATOM 1203 N ALA A 74 3.692 -0.990 4.350 1.00 1.27 N ATOM 1204 CA ALA A 74 2.724 0.007 3.892 1.00 1.40 C ATOM 1205 C ALA A 74 2.759 0.157 2.375 1.00 1.28 C ATOM 1206 O ALA A 74 1.873 0.773 1.782 1.00 1.34 O ATOM 1207 CB ALA A 74 2.971 1.343 4.569 1.00 1.61 C ATOM 0 H ALA A 74 4.582 -0.604 4.666 1.00 1.27 H new ATOM 0 HA ALA A 74 1.729 -0.342 4.169 1.00 1.40 H new ATOM 0 HB1 ALA A 74 2.241 2.071 4.215 1.00 1.61 H new ATOM 0 HB2 ALA A 74 2.874 1.227 5.648 1.00 1.61 H new ATOM 0 HB3 ALA A 74 3.976 1.692 4.330 1.00 1.61 H new ATOM 1213 N THR A 75 3.790 -0.410 1.753 1.00 1.16 N ATOM 1214 CA THR A 75 3.944 -0.361 0.303 1.00 1.15 C ATOM 1215 C THR A 75 2.855 -1.192 -0.377 1.00 1.20 C ATOM 1216 O THR A 75 2.375 -0.843 -1.456 1.00 1.25 O ATOM 1217 CB THR A 75 5.331 -0.881 -0.113 1.00 1.17 C ATOM 1218 OG1 THR A 75 6.350 -0.167 0.596 1.00 1.24 O ATOM 1219 CG2 THR A 75 5.561 -0.729 -1.609 1.00 1.66 C ATOM 0 H THR A 75 4.536 -0.912 2.235 1.00 1.16 H new ATOM 0 HA THR A 75 3.849 0.678 -0.014 1.00 1.15 H new ATOM 0 HB THR A 75 5.375 -1.942 0.134 1.00 1.17 H new ATOM 0 HG1 THR A 75 7.025 0.155 -0.037 1.00 1.24 H new ATOM 0 HG21 THR A 75 6.551 -1.107 -1.865 1.00 1.66 H new ATOM 0 HG22 THR A 75 4.805 -1.295 -2.153 1.00 1.66 H new ATOM 0 HG23 THR A 75 5.493 0.324 -1.883 1.00 1.66 H new ATOM 1227 N CYS A 76 2.481 -2.298 0.264 1.00 1.24 N ATOM 1228 CA CYS A 76 1.428 -3.173 -0.245 1.00 1.36 C ATOM 1229 C CYS A 76 0.067 -2.490 -0.125 1.00 1.39 C ATOM 1230 O CYS A 76 -0.852 -2.757 -0.902 1.00 1.46 O ATOM 1231 CB CYS A 76 1.424 -4.495 0.524 1.00 1.46 C ATOM 1232 SG CYS A 76 2.946 -5.459 0.348 1.00 1.61 S ATOM 0 H CYS A 76 2.895 -2.610 1.142 1.00 1.24 H new ATOM 0 HA CYS A 76 1.623 -3.379 -1.297 1.00 1.36 H new ATOM 0 HB2 CYS A 76 1.259 -4.287 1.581 1.00 1.46 H new ATOM 0 HB3 CYS A 76 0.583 -5.099 0.183 1.00 1.46 H new ATOM 0 HG CYS A 76 2.652 -6.723 0.268 1.00 1.61 H new ATOM 1238 N THR A 77 -0.043 -1.609 0.873 1.00 1.35 N ATOM 1239 CA THR A 77 -1.263 -0.848 1.142 1.00 1.39 C ATOM 1240 C THR A 77 -1.593 0.107 -0.014 1.00 1.34 C ATOM 1241 O THR A 77 -2.751 0.453 -0.234 1.00 1.38 O ATOM 1242 CB THR A 77 -1.119 -0.044 2.452 1.00 1.41 C ATOM 1243 OG1 THR A 77 -0.556 -0.877 3.475 1.00 1.48 O ATOM 1244 CG2 THR A 77 -2.460 0.491 2.924 1.00 1.49 C ATOM 0 H THR A 77 0.718 -1.403 1.521 1.00 1.35 H new ATOM 0 HA THR A 77 -2.080 -1.562 1.243 1.00 1.39 H new ATOM 0 HB THR A 77 -0.460 0.802 2.254 1.00 1.41 H new ATOM 0 HG1 THR A 77 -0.465 -0.361 4.303 1.00 1.48 H new ATOM 0 HG21 THR A 77 -2.323 1.052 3.848 1.00 1.49 H new ATOM 0 HG22 THR A 77 -2.879 1.146 2.161 1.00 1.49 H new ATOM 0 HG23 THR A 77 -3.141 -0.341 3.102 1.00 1.49 H new ATOM 1252 N ARG A 78 -0.551 0.536 -0.727 1.00 1.27 N ATOM 1253 CA ARG A 78 -0.671 1.445 -1.878 1.00 1.25 C ATOM 1254 C ARG A 78 -1.652 0.910 -2.930 1.00 1.30 C ATOM 1255 O ARG A 78 -2.473 1.646 -3.481 1.00 1.29 O ATOM 1256 CB ARG A 78 0.725 1.600 -2.502 1.00 1.25 C ATOM 1257 CG ARG A 78 0.768 2.341 -3.832 1.00 1.33 C ATOM 1258 CD ARG A 78 2.048 2.009 -4.589 1.00 1.40 C ATOM 1259 NE ARG A 78 2.375 3.009 -5.605 1.00 1.56 N ATOM 1260 CZ ARG A 78 3.607 3.211 -6.076 1.00 1.92 C ATOM 1261 NH1 ARG A 78 4.631 2.495 -5.618 1.00 2.01 N ATOM 1262 NH2 ARG A 78 3.817 4.135 -7.004 1.00 2.42 N ATOM 0 H ARG A 78 0.410 0.263 -0.524 1.00 1.27 H new ATOM 0 HA ARG A 78 -1.060 2.404 -1.535 1.00 1.25 H new ATOM 0 HB2 ARG A 78 1.365 2.124 -1.793 1.00 1.25 H new ATOM 0 HB3 ARG A 78 1.153 0.608 -2.644 1.00 1.25 H new ATOM 0 HG2 ARG A 78 -0.098 2.069 -4.435 1.00 1.33 H new ATOM 0 HG3 ARG A 78 0.710 3.415 -3.658 1.00 1.33 H new ATOM 0 HD2 ARG A 78 2.874 1.931 -3.882 1.00 1.40 H new ATOM 0 HD3 ARG A 78 1.942 1.034 -5.065 1.00 1.40 H new ATOM 0 HE ARG A 78 1.618 3.585 -5.974 1.00 1.56 H new ATOM 0 HH11 ARG A 78 4.477 1.785 -4.902 1.00 2.01 H new ATOM 0 HH12 ARG A 78 5.570 2.656 -5.983 1.00 2.01 H new ATOM 0 HH21 ARG A 78 3.037 4.690 -7.357 1.00 2.42 H new ATOM 0 HH22 ARG A 78 4.758 4.291 -7.365 1.00 2.42 H new ATOM 1276 N ARG A 79 -1.539 -0.382 -3.180 1.00 1.37 N ATOM 1277 CA ARG A 79 -2.339 -1.111 -4.157 1.00 1.45 C ATOM 1278 C ARG A 79 -3.781 -1.346 -3.696 1.00 1.48 C ATOM 1279 O ARG A 79 -4.683 -1.460 -4.527 1.00 1.54 O ATOM 1280 CB ARG A 79 -1.662 -2.433 -4.555 1.00 1.52 C ATOM 1281 CG ARG A 79 -0.236 -2.233 -5.104 1.00 1.51 C ATOM 1282 CD ARG A 79 0.389 -3.546 -5.595 1.00 1.59 C ATOM 1283 NE ARG A 79 -0.260 -4.047 -6.825 1.00 1.67 N ATOM 1284 CZ ARG A 79 -0.004 -5.184 -7.447 1.00 1.76 C ATOM 1285 NH1 ARG A 79 0.892 -6.025 -7.012 1.00 1.79 N ATOM 1286 NH2 ARG A 79 -0.647 -5.500 -8.535 1.00 1.82 N ATOM 0 H ARG A 79 -0.867 -0.975 -2.694 1.00 1.37 H new ATOM 0 HA ARG A 79 -2.398 -0.475 -5.040 1.00 1.45 H new ATOM 0 HB2 ARG A 79 -1.623 -3.091 -3.687 1.00 1.52 H new ATOM 0 HB3 ARG A 79 -2.269 -2.934 -5.309 1.00 1.52 H new ATOM 0 HG2 ARG A 79 -0.262 -1.517 -5.925 1.00 1.51 H new ATOM 0 HG3 ARG A 79 0.394 -1.802 -4.325 1.00 1.51 H new ATOM 0 HD2 ARG A 79 1.452 -3.393 -5.783 1.00 1.59 H new ATOM 0 HD3 ARG A 79 0.310 -4.300 -4.811 1.00 1.59 H new ATOM 0 HE ARG A 79 -0.980 -3.453 -7.236 1.00 1.67 H new ATOM 0 HH11 ARG A 79 1.421 -5.814 -6.166 1.00 1.79 H new ATOM 0 HH12 ARG A 79 1.064 -6.894 -7.518 1.00 1.79 H new ATOM 0 HH21 ARG A 79 -1.353 -4.868 -8.912 1.00 1.82 H new ATOM 0 HH22 ARG A 79 -0.444 -6.380 -9.010 1.00 1.82 H new ATOM 1300 N HIS A 80 -4.011 -1.373 -2.383 1.00 1.47 N ATOM 1301 CA HIS A 80 -5.345 -1.373 -1.783 1.00 1.50 C ATOM 1302 C HIS A 80 -5.965 0.033 -1.846 1.00 1.44 C ATOM 1303 O HIS A 80 -7.060 0.189 -2.382 1.00 1.48 O ATOM 1304 CB HIS A 80 -5.262 -1.927 -0.349 1.00 1.52 C ATOM 1305 CG HIS A 80 -4.635 -3.303 -0.270 1.00 1.60 C ATOM 1306 ND1 HIS A 80 -4.736 -4.317 -1.194 1.00 1.62 N flip ATOM 1307 CD2 HIS A 80 -3.848 -3.783 0.756 1.00 1.68 C flip ATOM 1308 CE1 HIS A 80 -4.002 -5.415 -0.725 1.00 1.70 C flip ATOM 1309 NE2 HIS A 80 -3.488 -5.043 0.459 1.00 1.74 N flip ATOM 0 H HIS A 80 -3.260 -1.396 -1.693 1.00 1.47 H new ATOM 0 HA HIS A 80 -6.009 -2.027 -2.349 1.00 1.50 H new ATOM 0 HB2 HIS A 80 -4.684 -1.237 0.266 1.00 1.52 H new ATOM 0 HB3 HIS A 80 -6.265 -1.968 0.075 1.00 1.52 H new ATOM 0 HD2 HIS A 80 -3.569 -3.239 1.646 1.00 1.68 H new ATOM 0 HE1 HIS A 80 -3.875 -6.368 -1.217 1.00 1.70 H new ATOM 0 HE2 HIS A 80 -2.905 -5.635 1.051 1.00 1.74 H new ATOM 1318 N TYR A 81 -5.248 1.079 -1.404 1.00 1.35 N ATOM 1319 CA TYR A 81 -5.740 2.467 -1.389 1.00 1.29 C ATOM 1320 C TYR A 81 -6.200 2.955 -2.770 1.00 1.32 C ATOM 1321 O TYR A 81 -7.230 3.626 -2.873 1.00 1.34 O ATOM 1322 CB TYR A 81 -4.639 3.379 -0.820 1.00 1.21 C ATOM 1323 CG TYR A 81 -5.049 4.819 -0.512 1.00 1.16 C ATOM 1324 CD1 TYR A 81 -5.265 5.744 -1.557 1.00 1.16 C ATOM 1325 CD2 TYR A 81 -5.157 5.252 0.824 1.00 1.14 C ATOM 1326 CE1 TYR A 81 -5.608 7.079 -1.268 1.00 1.14 C ATOM 1327 CE2 TYR A 81 -5.428 6.604 1.115 1.00 1.12 C ATOM 1328 CZ TYR A 81 -5.670 7.522 0.072 1.00 1.12 C ATOM 1329 OH TYR A 81 -5.995 8.811 0.367 1.00 1.11 O ATOM 0 H TYR A 81 -4.299 0.984 -1.043 1.00 1.35 H new ATOM 0 HA TYR A 81 -6.624 2.505 -0.753 1.00 1.29 H new ATOM 0 HB2 TYR A 81 -4.259 2.927 0.096 1.00 1.21 H new ATOM 0 HB3 TYR A 81 -3.812 3.402 -1.530 1.00 1.21 H new ATOM 0 HD1 TYR A 81 -5.167 5.426 -2.584 1.00 1.16 H new ATOM 0 HD2 TYR A 81 -5.031 4.544 1.630 1.00 1.14 H new ATOM 0 HE1 TYR A 81 -5.824 7.766 -2.073 1.00 1.14 H new ATOM 0 HE2 TYR A 81 -5.450 6.939 2.142 1.00 1.12 H new ATOM 0 HH TYR A 81 -6.362 9.246 -0.430 1.00 1.11 H new ATOM 1339 N GLU A 82 -5.504 2.568 -3.852 1.00 1.34 N ATOM 1340 CA GLU A 82 -5.810 3.009 -5.213 1.00 1.39 C ATOM 1341 C GLU A 82 -7.109 2.405 -5.766 1.00 1.50 C ATOM 1342 O GLU A 82 -7.552 2.790 -6.852 1.00 1.56 O ATOM 1343 CB GLU A 82 -4.613 2.815 -6.158 1.00 1.40 C ATOM 1344 CG GLU A 82 -4.365 1.371 -6.582 1.00 1.46 C ATOM 1345 CD GLU A 82 -3.356 1.299 -7.741 1.00 1.49 C ATOM 1346 OE1 GLU A 82 -3.754 1.595 -8.896 1.00 1.56 O ATOM 1347 OE2 GLU A 82 -2.180 0.924 -7.514 1.00 1.46 O ATOM 0 H GLU A 82 -4.707 1.934 -3.800 1.00 1.34 H new ATOM 0 HA GLU A 82 -5.995 4.082 -5.155 1.00 1.39 H new ATOM 0 HB2 GLU A 82 -4.770 3.420 -7.051 1.00 1.40 H new ATOM 0 HB3 GLU A 82 -3.716 3.195 -5.669 1.00 1.40 H new ATOM 0 HG2 GLU A 82 -3.990 0.799 -5.733 1.00 1.46 H new ATOM 0 HG3 GLU A 82 -5.306 0.911 -6.886 1.00 1.46 H new ATOM 1354 N ARG A 83 -7.728 1.476 -5.016 1.00 1.53 N ATOM 1355 CA ARG A 83 -9.079 0.981 -5.315 1.00 1.64 C ATOM 1356 C ARG A 83 -10.068 1.114 -4.150 1.00 1.64 C ATOM 1357 O ARG A 83 -11.257 0.883 -4.357 1.00 1.73 O ATOM 1358 CB ARG A 83 -9.020 -0.482 -5.802 1.00 1.73 C ATOM 1359 CG ARG A 83 -8.235 -0.709 -7.100 1.00 1.75 C ATOM 1360 CD ARG A 83 -8.860 -0.006 -8.316 1.00 1.81 C ATOM 1361 NE ARG A 83 -8.039 -0.217 -9.525 1.00 1.84 N ATOM 1362 CZ ARG A 83 -6.922 0.419 -9.834 1.00 1.78 C ATOM 1363 NH1 ARG A 83 -6.509 1.469 -9.188 1.00 1.68 N ATOM 1364 NH2 ARG A 83 -6.161 -0.002 -10.802 1.00 1.82 N ATOM 0 H ARG A 83 -7.307 1.051 -4.190 1.00 1.53 H new ATOM 0 HA ARG A 83 -9.462 1.623 -6.108 1.00 1.64 H new ATOM 0 HB2 ARG A 83 -8.575 -1.092 -5.016 1.00 1.73 H new ATOM 0 HB3 ARG A 83 -10.039 -0.841 -5.945 1.00 1.73 H new ATOM 0 HG2 ARG A 83 -7.214 -0.352 -6.967 1.00 1.75 H new ATOM 0 HG3 ARG A 83 -8.175 -1.779 -7.298 1.00 1.75 H new ATOM 0 HD2 ARG A 83 -9.867 -0.388 -8.484 1.00 1.81 H new ATOM 0 HD3 ARG A 83 -8.953 1.061 -8.116 1.00 1.81 H new ATOM 0 HE ARG A 83 -8.365 -0.922 -10.186 1.00 1.84 H new ATOM 0 HH11 ARG A 83 -7.054 1.834 -8.407 1.00 1.68 H new ATOM 0 HH12 ARG A 83 -5.640 1.927 -9.462 1.00 1.68 H new ATOM 0 HH21 ARG A 83 -6.424 -0.832 -11.333 1.00 1.82 H new ATOM 0 HH22 ARG A 83 -5.302 0.498 -11.030 1.00 1.82 H new ATOM 1378 N LEU A 84 -9.605 1.512 -2.959 1.00 1.56 N ATOM 1379 CA LEU A 84 -10.419 1.443 -1.742 1.00 1.57 C ATOM 1380 C LEU A 84 -10.713 2.830 -1.143 1.00 1.51 C ATOM 1381 O LEU A 84 -11.554 2.943 -0.260 1.00 1.54 O ATOM 1382 CB LEU A 84 -9.658 0.522 -0.773 1.00 1.56 C ATOM 1383 CG LEU A 84 -10.392 0.135 0.512 1.00 1.61 C ATOM 1384 CD1 LEU A 84 -11.691 -0.616 0.244 1.00 1.73 C ATOM 1385 CD2 LEU A 84 -9.494 -0.763 1.357 1.00 1.61 C ATOM 0 H LEU A 84 -8.667 1.886 -2.813 1.00 1.56 H new ATOM 0 HA LEU A 84 -11.408 1.040 -1.959 1.00 1.57 H new ATOM 0 HB2 LEU A 84 -9.395 -0.392 -1.305 1.00 1.56 H new ATOM 0 HB3 LEU A 84 -8.723 1.011 -0.499 1.00 1.56 H new ATOM 0 HG LEU A 84 -10.634 1.063 1.030 1.00 1.61 H new ATOM 0 HD11 LEU A 84 -12.169 -0.865 1.191 1.00 1.73 H new ATOM 0 HD12 LEU A 84 -12.359 0.012 -0.346 1.00 1.73 H new ATOM 0 HD13 LEU A 84 -11.475 -1.532 -0.305 1.00 1.73 H new ATOM 0 HD21 LEU A 84 -10.015 -1.040 2.273 1.00 1.61 H new ATOM 0 HD22 LEU A 84 -9.246 -1.663 0.794 1.00 1.61 H new ATOM 0 HD23 LEU A 84 -8.578 -0.229 1.608 1.00 1.61 H new ATOM 1397 N ILE A 85 -10.053 3.885 -1.638 1.00 1.44 N ATOM 1398 CA ILE A 85 -10.445 5.271 -1.319 1.00 1.41 C ATOM 1399 C ILE A 85 -9.964 6.303 -2.337 1.00 1.39 C ATOM 1400 O ILE A 85 -10.623 7.327 -2.468 1.00 1.42 O ATOM 1401 CB ILE A 85 -10.065 5.659 0.122 1.00 1.35 C ATOM 1402 CG1 ILE A 85 -10.740 6.994 0.514 1.00 1.35 C ATOM 1403 CG2 ILE A 85 -8.548 5.714 0.324 1.00 1.26 C ATOM 1404 CD1 ILE A 85 -10.922 7.180 2.021 1.00 1.33 C ATOM 0 H ILE A 85 -9.247 3.810 -2.259 1.00 1.44 H new ATOM 0 HA ILE A 85 -11.533 5.287 -1.389 1.00 1.41 H new ATOM 0 HB ILE A 85 -10.436 4.878 0.786 1.00 1.35 H new ATOM 0 HG12 ILE A 85 -10.143 7.819 0.126 1.00 1.35 H new ATOM 0 HG13 ILE A 85 -11.715 7.052 0.031 1.00 1.35 H new ATOM 0 HG21 ILE A 85 -8.328 5.992 1.355 1.00 1.26 H new ATOM 0 HG22 ILE A 85 -8.117 4.736 0.112 1.00 1.26 H new ATOM 0 HG23 ILE A 85 -8.118 6.454 -0.351 1.00 1.26 H new ATOM 0 HD11 ILE A 85 -11.402 8.140 2.214 1.00 1.33 H new ATOM 0 HD12 ILE A 85 -11.546 6.377 2.414 1.00 1.33 H new ATOM 0 HD13 ILE A 85 -9.949 7.156 2.511 1.00 1.33 H new ATOM 1416 N LEU A 86 -8.928 6.037 -3.139 1.00 1.37 N ATOM 1417 CA LEU A 86 -8.598 6.876 -4.300 1.00 1.39 C ATOM 1418 C LEU A 86 -9.824 7.186 -5.204 1.00 1.49 C ATOM 1419 O LEU A 86 -9.972 8.346 -5.599 1.00 1.52 O ATOM 1420 CB LEU A 86 -7.442 6.219 -5.069 1.00 1.37 C ATOM 1421 CG LEU A 86 -6.937 6.976 -6.310 1.00 1.41 C ATOM 1422 CD1 LEU A 86 -6.468 8.397 -5.983 1.00 1.37 C ATOM 1423 CD2 LEU A 86 -5.771 6.229 -6.948 1.00 1.40 C ATOM 0 H LEU A 86 -8.300 5.244 -3.006 1.00 1.37 H new ATOM 0 HA LEU A 86 -8.279 7.855 -3.942 1.00 1.39 H new ATOM 0 HB2 LEU A 86 -6.605 6.087 -4.383 1.00 1.37 H new ATOM 0 HB3 LEU A 86 -7.759 5.223 -5.380 1.00 1.37 H new ATOM 0 HG LEU A 86 -7.783 7.038 -6.995 1.00 1.41 H new ATOM 0 HD11 LEU A 86 -6.122 8.885 -6.894 1.00 1.37 H new ATOM 0 HD12 LEU A 86 -7.296 8.965 -5.559 1.00 1.37 H new ATOM 0 HD13 LEU A 86 -5.651 8.354 -5.263 1.00 1.37 H new ATOM 0 HD21 LEU A 86 -5.424 6.776 -7.825 1.00 1.40 H new ATOM 0 HD22 LEU A 86 -4.957 6.143 -6.229 1.00 1.40 H new ATOM 0 HD23 LEU A 86 -6.097 5.233 -7.248 1.00 1.40 H new ATOM 1435 N PRO A 87 -10.751 6.236 -5.488 1.00 1.58 N ATOM 1436 CA PRO A 87 -11.994 6.550 -6.202 1.00 1.69 C ATOM 1437 C PRO A 87 -13.056 7.308 -5.377 1.00 1.71 C ATOM 1438 O PRO A 87 -13.971 7.866 -5.989 1.00 1.80 O ATOM 1439 CB PRO A 87 -12.537 5.204 -6.696 1.00 1.78 C ATOM 1440 CG PRO A 87 -11.994 4.204 -5.683 1.00 1.71 C ATOM 1441 CD PRO A 87 -10.622 4.783 -5.355 1.00 1.59 C ATOM 0 HA PRO A 87 -11.768 7.245 -7.011 1.00 1.69 H new ATOM 0 HB2 PRO A 87 -13.627 5.197 -6.722 1.00 1.78 H new ATOM 0 HB3 PRO A 87 -12.193 4.979 -7.705 1.00 1.78 H new ATOM 0 HG2 PRO A 87 -12.628 4.136 -4.799 1.00 1.71 H new ATOM 0 HG3 PRO A 87 -11.922 3.200 -6.102 1.00 1.71 H new ATOM 0 HD2 PRO A 87 -10.315 4.510 -4.345 1.00 1.59 H new ATOM 0 HD3 PRO A 87 -9.863 4.395 -6.035 1.00 1.59 H new ATOM 1449 N TYR A 88 -12.970 7.363 -4.037 1.00 1.63 N ATOM 1450 CA TYR A 88 -13.991 8.020 -3.198 1.00 1.66 C ATOM 1451 C TYR A 88 -13.542 9.357 -2.580 1.00 1.59 C ATOM 1452 O TYR A 88 -14.362 10.266 -2.486 1.00 1.64 O ATOM 1453 CB TYR A 88 -14.578 7.028 -2.173 1.00 1.68 C ATOM 1454 CG TYR A 88 -15.970 6.504 -2.524 1.00 1.80 C ATOM 1455 CD1 TYR A 88 -16.306 6.154 -3.851 1.00 1.89 C ATOM 1456 CD2 TYR A 88 -16.943 6.371 -1.513 1.00 1.84 C ATOM 1457 CE1 TYR A 88 -17.597 5.681 -4.161 1.00 2.01 C ATOM 1458 CE2 TYR A 88 -18.239 5.908 -1.820 1.00 1.97 C ATOM 1459 CZ TYR A 88 -18.568 5.559 -3.146 1.00 2.05 C ATOM 1460 OH TYR A 88 -19.814 5.101 -3.453 1.00 2.17 O ATOM 0 H TYR A 88 -12.198 6.958 -3.507 1.00 1.63 H new ATOM 0 HA TYR A 88 -14.800 8.315 -3.866 1.00 1.66 H new ATOM 0 HB2 TYR A 88 -13.899 6.181 -2.076 1.00 1.68 H new ATOM 0 HB3 TYR A 88 -14.622 7.515 -1.199 1.00 1.68 H new ATOM 0 HD1 TYR A 88 -15.568 6.250 -4.634 1.00 1.89 H new ATOM 0 HD2 TYR A 88 -16.694 6.626 -0.494 1.00 1.84 H new ATOM 0 HE1 TYR A 88 -17.843 5.412 -5.178 1.00 2.01 H new ATOM 0 HE2 TYR A 88 -18.980 5.821 -1.039 1.00 1.97 H new ATOM 0 HH TYR A 88 -20.362 5.076 -2.641 1.00 2.17 H new ATOM 1470 N GLU A 89 -12.252 9.588 -2.298 1.00 1.50 N ATOM 1471 CA GLU A 89 -11.751 10.941 -1.962 1.00 1.46 C ATOM 1472 C GLU A 89 -12.045 11.967 -3.085 1.00 1.53 C ATOM 1473 O GLU A 89 -12.037 13.176 -2.854 1.00 1.55 O ATOM 1474 CB GLU A 89 -10.255 10.939 -1.576 1.00 1.36 C ATOM 1475 CG GLU A 89 -9.280 10.649 -2.731 1.00 1.35 C ATOM 1476 CD GLU A 89 -7.823 10.973 -2.342 1.00 1.27 C ATOM 1477 OE1 GLU A 89 -7.185 10.176 -1.615 1.00 1.21 O ATOM 1478 OE2 GLU A 89 -7.305 12.033 -2.781 1.00 1.29 O ATOM 0 H GLU A 89 -11.534 8.863 -2.294 1.00 1.50 H new ATOM 0 HA GLU A 89 -12.305 11.259 -1.079 1.00 1.46 H new ATOM 0 HB2 GLU A 89 -10.006 11.909 -1.147 1.00 1.36 H new ATOM 0 HB3 GLU A 89 -10.099 10.195 -0.795 1.00 1.36 H new ATOM 0 HG2 GLU A 89 -9.356 9.600 -3.017 1.00 1.35 H new ATOM 0 HG3 GLU A 89 -9.563 11.238 -3.603 1.00 1.35 H new ATOM 1485 N ARG A 90 -12.396 11.452 -4.273 1.00 1.61 N ATOM 1486 CA ARG A 90 -12.922 12.267 -5.376 1.00 1.71 C ATOM 1487 C ARG A 90 -14.105 13.170 -4.977 1.00 1.78 C ATOM 1488 O ARG A 90 -14.169 14.297 -5.468 1.00 1.83 O ATOM 1489 CB ARG A 90 -13.273 11.323 -6.543 1.00 1.78 C ATOM 1490 CG ARG A 90 -13.546 12.068 -7.855 1.00 1.89 C ATOM 1491 CD ARG A 90 -13.722 11.074 -9.010 1.00 1.97 C ATOM 1492 NE ARG A 90 -13.943 11.770 -10.293 1.00 2.08 N ATOM 1493 CZ ARG A 90 -13.934 11.227 -11.498 1.00 2.16 C ATOM 1494 NH1 ARG A 90 -13.736 9.951 -11.685 1.00 2.15 N ATOM 1495 NH2 ARG A 90 -14.128 11.964 -12.553 1.00 2.25 N ATOM 0 H ARG A 90 -12.323 10.459 -4.495 1.00 1.61 H new ATOM 0 HA ARG A 90 -12.149 12.972 -5.683 1.00 1.71 H new ATOM 0 HB2 ARG A 90 -12.453 10.621 -6.694 1.00 1.78 H new ATOM 0 HB3 ARG A 90 -14.151 10.735 -6.276 1.00 1.78 H new ATOM 0 HG2 ARG A 90 -14.443 12.679 -7.753 1.00 1.89 H new ATOM 0 HG3 ARG A 90 -12.721 12.746 -8.073 1.00 1.89 H new ATOM 0 HD2 ARG A 90 -12.837 10.442 -9.085 1.00 1.97 H new ATOM 0 HD3 ARG A 90 -14.566 10.417 -8.801 1.00 1.97 H new ATOM 0 HE ARG A 90 -14.121 12.773 -10.245 1.00 2.08 H new ATOM 0 HH11 ARG A 90 -13.581 9.336 -10.886 1.00 2.15 H new ATOM 0 HH12 ARG A 90 -13.736 9.568 -12.630 1.00 2.15 H new ATOM 0 HH21 ARG A 90 -14.288 12.966 -12.452 1.00 2.25 H new ATOM 0 HH22 ARG A 90 -14.120 11.539 -13.480 1.00 2.25 H new ATOM 1509 N PHE A 91 -14.992 12.757 -4.058 1.00 1.78 N ATOM 1510 CA PHE A 91 -16.034 13.663 -3.529 1.00 1.84 C ATOM 1511 C PHE A 91 -15.484 14.693 -2.523 1.00 1.78 C ATOM 1512 O PHE A 91 -15.999 15.808 -2.446 1.00 1.84 O ATOM 1513 CB PHE A 91 -17.252 12.898 -2.965 1.00 1.89 C ATOM 1514 CG PHE A 91 -17.072 12.120 -1.668 1.00 1.82 C ATOM 1515 CD1 PHE A 91 -16.945 12.790 -0.432 1.00 1.77 C ATOM 1516 CD2 PHE A 91 -17.086 10.711 -1.682 1.00 1.81 C ATOM 1517 CE1 PHE A 91 -16.731 12.061 0.753 1.00 1.71 C ATOM 1518 CE2 PHE A 91 -16.861 9.986 -0.501 1.00 1.76 C ATOM 1519 CZ PHE A 91 -16.652 10.661 0.708 1.00 1.70 C ATOM 0 H PHE A 91 -15.013 11.815 -3.667 1.00 1.78 H new ATOM 0 HA PHE A 91 -16.389 14.234 -4.387 1.00 1.84 H new ATOM 0 HB2 PHE A 91 -18.057 13.617 -2.813 1.00 1.89 H new ATOM 0 HB3 PHE A 91 -17.590 12.198 -3.730 1.00 1.89 H new ATOM 0 HD1 PHE A 91 -17.012 13.867 -0.395 1.00 1.77 H new ATOM 0 HD2 PHE A 91 -17.271 10.185 -2.607 1.00 1.81 H new ATOM 0 HE1 PHE A 91 -16.628 12.579 1.695 1.00 1.71 H new ATOM 0 HE2 PHE A 91 -16.849 8.906 -0.525 1.00 1.76 H new ATOM 0 HZ PHE A 91 -16.430 10.104 1.606 1.00 1.70 H new ATOM 1529 N ILE A 92 -14.406 14.366 -1.798 1.00 1.67 N ATOM 1530 CA ILE A 92 -13.797 15.296 -0.823 1.00 1.62 C ATOM 1531 C ILE A 92 -13.022 16.391 -1.568 1.00 1.64 C ATOM 1532 O ILE A 92 -13.111 17.573 -1.243 1.00 1.69 O ATOM 1533 CB ILE A 92 -12.864 14.532 0.156 1.00 1.52 C ATOM 1534 CG1 ILE A 92 -13.603 13.355 0.837 1.00 1.51 C ATOM 1535 CG2 ILE A 92 -12.298 15.495 1.218 1.00 1.49 C ATOM 1536 CD1 ILE A 92 -12.728 12.468 1.731 1.00 1.43 C ATOM 0 H ILE A 92 -13.933 13.465 -1.865 1.00 1.67 H new ATOM 0 HA ILE A 92 -14.589 15.761 -0.236 1.00 1.62 H new ATOM 0 HB ILE A 92 -12.038 14.118 -0.423 1.00 1.52 H new ATOM 0 HG12 ILE A 92 -14.419 13.757 1.438 1.00 1.51 H new ATOM 0 HG13 ILE A 92 -14.053 12.733 0.064 1.00 1.51 H new ATOM 0 HG21 ILE A 92 -11.646 14.945 1.897 1.00 1.49 H new ATOM 0 HG22 ILE A 92 -11.728 16.284 0.727 1.00 1.49 H new ATOM 0 HG23 ILE A 92 -13.119 15.938 1.782 1.00 1.49 H new ATOM 0 HD11 ILE A 92 -13.337 11.673 2.162 1.00 1.43 H new ATOM 0 HD12 ILE A 92 -11.927 12.030 1.136 1.00 1.43 H new ATOM 0 HD13 ILE A 92 -12.298 13.070 2.531 1.00 1.43 H new ATOM 1548 N LYS A 93 -12.305 15.987 -2.618 1.00 1.63 N ATOM 1549 CA LYS A 93 -11.387 16.868 -3.352 1.00 1.66 C ATOM 1550 C LYS A 93 -12.041 17.552 -4.562 1.00 1.78 C ATOM 1551 O LYS A 93 -11.421 18.398 -5.209 1.00 1.82 O ATOM 1552 CB LYS A 93 -10.189 15.987 -3.737 1.00 1.58 C ATOM 1553 CG LYS A 93 -8.913 16.775 -4.053 1.00 1.58 C ATOM 1554 CD LYS A 93 -7.687 15.861 -3.953 1.00 1.49 C ATOM 1555 CE LYS A 93 -7.710 14.738 -4.999 1.00 1.50 C ATOM 1556 NZ LYS A 93 -6.579 13.807 -4.794 1.00 1.41 N ATOM 0 H LYS A 93 -12.343 15.037 -2.987 1.00 1.63 H new ATOM 0 HA LYS A 93 -11.075 17.708 -2.731 1.00 1.66 H new ATOM 0 HB2 LYS A 93 -9.983 15.294 -2.921 1.00 1.58 H new ATOM 0 HB3 LYS A 93 -10.457 15.386 -4.606 1.00 1.58 H new ATOM 0 HG2 LYS A 93 -8.978 17.200 -5.055 1.00 1.58 H new ATOM 0 HG3 LYS A 93 -8.811 17.609 -3.359 1.00 1.58 H new ATOM 0 HD2 LYS A 93 -6.782 16.455 -4.081 1.00 1.49 H new ATOM 0 HD3 LYS A 93 -7.643 15.424 -2.955 1.00 1.49 H new ATOM 0 HE2 LYS A 93 -8.652 14.193 -4.934 1.00 1.50 H new ATOM 0 HE3 LYS A 93 -7.658 15.166 -6.000 1.00 1.50 H new ATOM 0 HZ1 LYS A 93 -6.533 13.136 -5.588 1.00 1.41 H new ATOM 0 HZ2 LYS A 93 -5.691 14.346 -4.744 1.00 1.41 H new ATOM 0 HZ3 LYS A 93 -6.717 13.284 -3.906 1.00 1.41 H new ATOM 1570 N GLY A 94 -13.304 17.207 -4.830 1.00 1.84 N ATOM 1571 CA GLY A 94 -14.077 17.781 -5.934 1.00 1.97 C ATOM 1572 C GLY A 94 -15.355 18.504 -5.493 1.00 2.05 C ATOM 1573 O GLY A 94 -15.867 19.319 -6.259 1.00 2.15 O ATOM 0 H GLY A 94 -13.821 16.518 -4.284 1.00 1.84 H new ATOM 0 HA2 GLY A 94 -13.446 18.482 -6.480 1.00 1.97 H new ATOM 0 HA3 GLY A 94 -14.344 16.985 -6.629 1.00 1.97 H new ATOM 1577 N GLU A 95 -15.857 18.259 -4.272 1.00 2.00 N ATOM 1578 CA GLU A 95 -17.125 18.834 -3.773 1.00 2.08 C ATOM 1579 C GLU A 95 -17.100 19.226 -2.278 1.00 2.02 C ATOM 1580 O GLU A 95 -18.148 19.348 -1.636 1.00 2.07 O ATOM 1581 CB GLU A 95 -18.310 17.889 -4.084 1.00 2.13 C ATOM 1582 CG GLU A 95 -18.513 17.576 -5.573 1.00 2.21 C ATOM 1583 CD GLU A 95 -19.799 16.760 -5.796 1.00 2.29 C ATOM 1584 OE1 GLU A 95 -20.884 17.363 -5.994 1.00 2.40 O ATOM 1585 OE2 GLU A 95 -19.738 15.505 -5.791 1.00 2.26 O ATOM 0 H GLU A 95 -15.394 17.652 -3.595 1.00 2.00 H new ATOM 0 HA GLU A 95 -17.260 19.772 -4.312 1.00 2.08 H new ATOM 0 HB2 GLU A 95 -18.159 16.952 -3.548 1.00 2.13 H new ATOM 0 HB3 GLU A 95 -19.224 18.336 -3.694 1.00 2.13 H new ATOM 0 HG2 GLU A 95 -18.565 18.506 -6.140 1.00 2.21 H new ATOM 0 HG3 GLU A 95 -17.655 17.020 -5.951 1.00 2.21 H new ATOM 1592 N GLU A 96 -15.911 19.466 -1.712 1.00 1.94 N ATOM 1593 CA GLU A 96 -15.749 19.968 -0.334 1.00 1.90 C ATOM 1594 C GLU A 96 -14.466 20.798 -0.099 1.00 1.87 C ATOM 1595 O GLU A 96 -14.537 21.880 0.484 1.00 1.92 O ATOM 1596 CB GLU A 96 -15.828 18.794 0.666 1.00 1.82 C ATOM 1597 CG GLU A 96 -15.955 19.275 2.116 1.00 1.81 C ATOM 1598 CD GLU A 96 -16.188 18.094 3.078 1.00 1.76 C ATOM 1599 OE1 GLU A 96 -17.366 17.729 3.321 1.00 1.81 O ATOM 1600 OE2 GLU A 96 -15.201 17.537 3.616 1.00 1.68 O ATOM 0 H GLU A 96 -15.026 19.318 -2.197 1.00 1.94 H new ATOM 0 HA GLU A 96 -16.573 20.662 -0.169 1.00 1.90 H new ATOM 0 HB2 GLU A 96 -16.683 18.165 0.418 1.00 1.82 H new ATOM 0 HB3 GLU A 96 -14.937 18.175 0.567 1.00 1.82 H new ATOM 0 HG2 GLU A 96 -15.050 19.809 2.405 1.00 1.81 H new ATOM 0 HG3 GLU A 96 -16.781 19.981 2.196 1.00 1.81 H new ATOM 1607 N ASP A 97 -13.319 20.281 -0.517 1.00 1.80 N ATOM 1608 CA ASP A 97 -12.060 20.991 -0.331 1.00 1.78 C ATOM 1609 C ASP A 97 -11.061 20.629 -1.420 1.00 1.87 C ATOM 1610 O ASP A 97 -10.796 19.453 -1.667 1.00 2.33 O ATOM 1611 CB ASP A 97 -11.464 20.680 1.046 1.00 1.78 C ATOM 1612 CG ASP A 97 -10.185 21.452 1.311 1.00 2.14 C ATOM 1613 OD1 ASP A 97 -10.253 22.696 1.416 1.00 2.70 O ATOM 1614 OD2 ASP A 97 -9.115 20.815 1.412 1.00 2.20 O ATOM 0 H ASP A 97 -13.233 19.378 -0.984 1.00 1.80 H new ATOM 0 HA ASP A 97 -12.269 22.059 -0.395 1.00 1.78 H new ATOM 0 HB2 ASP A 97 -12.196 20.919 1.818 1.00 1.78 H new ATOM 0 HB3 ASP A 97 -11.262 19.611 1.118 1.00 1.78 H new ATOM 1619 N LYS A 98 -10.507 21.648 -2.061 1.00 1.90 N ATOM 1620 CA LYS A 98 -9.531 21.443 -3.121 1.00 2.13 C ATOM 1621 C LYS A 98 -8.407 22.470 -3.020 1.00 2.94 C ATOM 1622 O LYS A 98 -8.493 23.558 -3.594 1.00 3.42 O ATOM 1623 CB LYS A 98 -10.214 21.532 -4.487 1.00 2.05 C ATOM 1624 CG LYS A 98 -9.367 20.987 -5.624 1.00 2.30 C ATOM 1625 CD LYS A 98 -10.102 21.073 -6.951 1.00 2.83 C ATOM 1626 CE LYS A 98 -9.330 20.377 -8.059 1.00 3.09 C ATOM 1627 NZ LYS A 98 -10.074 20.395 -9.349 1.00 3.68 N ATOM 0 H LYS A 98 -10.717 22.627 -1.865 1.00 1.90 H new ATOM 0 HA LYS A 98 -9.097 20.449 -3.009 1.00 2.13 H new ATOM 0 HB2 LYS A 98 -11.155 20.983 -4.450 1.00 2.05 H new ATOM 0 HB3 LYS A 98 -10.460 22.573 -4.694 1.00 2.05 H new ATOM 0 HG2 LYS A 98 -8.434 21.547 -5.686 1.00 2.30 H new ATOM 0 HG3 LYS A 98 -9.103 19.950 -5.419 1.00 2.30 H new ATOM 0 HD2 LYS A 98 -11.088 20.619 -6.852 1.00 2.83 H new ATOM 0 HD3 LYS A 98 -10.257 22.119 -7.215 1.00 2.83 H new ATOM 0 HE2 LYS A 98 -8.364 20.864 -8.190 1.00 3.09 H new ATOM 0 HE3 LYS A 98 -9.130 19.345 -7.770 1.00 3.09 H new ATOM 0 HZ1 LYS A 98 -9.514 19.911 -10.079 1.00 3.68 H new ATOM 0 HZ2 LYS A 98 -10.985 19.908 -9.231 1.00 3.68 H new ATOM 0 HZ3 LYS A 98 -10.243 21.379 -9.639 1.00 3.68 H new ATOM 1641 N PRO A 99 -7.340 22.139 -2.272 1.00 3.57 N ATOM 1642 CA PRO A 99 -6.195 23.029 -2.087 1.00 4.60 C ATOM 1643 C PRO A 99 -5.150 22.893 -3.198 1.00 4.87 C ATOM 1644 O PRO A 99 -4.196 23.670 -3.262 1.00 5.78 O ATOM 1645 CB PRO A 99 -5.626 22.552 -0.754 1.00 5.30 C ATOM 1646 CG PRO A 99 -5.897 21.083 -0.738 1.00 4.88 C ATOM 1647 CD PRO A 99 -7.169 20.872 -1.529 1.00 3.76 C ATOM 0 HA PRO A 99 -6.478 24.081 -2.109 1.00 4.60 H new ATOM 0 HB2 PRO A 99 -4.559 22.760 -0.681 1.00 5.30 H new ATOM 0 HB3 PRO A 99 -6.107 23.054 0.086 1.00 5.30 H new ATOM 0 HG2 PRO A 99 -5.068 20.531 -1.181 1.00 4.88 H new ATOM 0 HG3 PRO A 99 -6.011 20.721 0.284 1.00 4.88 H new ATOM 0 HD2 PRO A 99 -7.083 20.021 -2.205 1.00 3.76 H new ATOM 0 HD3 PRO A 99 -8.018 20.675 -0.875 1.00 3.76 H new ATOM 1655 N LEU A 100 -5.340 21.906 -4.071 1.00 4.16 N ATOM 1656 CA LEU A 100 -4.413 21.665 -5.172 1.00 4.45 C ATOM 1657 C LEU A 100 -5.129 21.769 -6.514 1.00 4.49 C ATOM 1658 O LEU A 100 -6.150 21.116 -6.730 1.00 4.18 O ATOM 1659 CB LEU A 100 -3.771 20.284 -5.027 1.00 4.19 C ATOM 1660 CG LEU A 100 -3.006 20.058 -3.721 1.00 4.60 C ATOM 1661 CD1 LEU A 100 -2.677 18.585 -3.543 1.00 4.86 C ATOM 1662 CD2 LEU A 100 -1.738 20.895 -3.691 1.00 4.95 C ATOM 0 H LEU A 100 -6.129 21.260 -4.036 1.00 4.16 H new ATOM 0 HA LEU A 100 -3.634 22.426 -5.137 1.00 4.45 H new ATOM 0 HB2 LEU A 100 -4.551 19.527 -5.109 1.00 4.19 H new ATOM 0 HB3 LEU A 100 -3.088 20.129 -5.862 1.00 4.19 H new ATOM 0 HG LEU A 100 -3.643 20.371 -2.893 1.00 4.60 H new ATOM 0 HD11 LEU A 100 -2.133 18.444 -2.609 1.00 4.86 H new ATOM 0 HD12 LEU A 100 -3.600 18.007 -3.516 1.00 4.86 H new ATOM 0 HD13 LEU A 100 -2.061 18.246 -4.376 1.00 4.86 H new ATOM 0 HD21 LEU A 100 -1.209 20.720 -2.754 1.00 4.95 H new ATOM 0 HD22 LEU A 100 -1.098 20.615 -4.528 1.00 4.95 H new ATOM 0 HD23 LEU A 100 -1.997 21.951 -3.770 1.00 4.95 H new ATOM 1674 N PRO A 101 -4.593 22.589 -7.438 1.00 5.19 N ATOM 1675 CA PRO A 101 -5.186 22.784 -8.768 1.00 5.67 C ATOM 1676 C PRO A 101 -5.013 21.566 -9.678 1.00 5.64 C ATOM 1677 O PRO A 101 -4.121 20.742 -9.463 1.00 5.32 O ATOM 1678 CB PRO A 101 -4.414 23.987 -9.319 1.00 6.54 C ATOM 1679 CG PRO A 101 -3.095 23.938 -8.630 1.00 6.50 C ATOM 1680 CD PRO A 101 -3.366 23.390 -7.255 1.00 5.81 C ATOM 0 HA PRO A 101 -6.264 22.935 -8.716 1.00 5.67 H new ATOM 0 HB2 PRO A 101 -4.298 23.921 -10.401 1.00 6.54 H new ATOM 0 HB3 PRO A 101 -4.935 24.921 -9.110 1.00 6.54 H new ATOM 0 HG2 PRO A 101 -2.395 23.303 -9.172 1.00 6.50 H new ATOM 0 HG3 PRO A 101 -2.647 24.930 -8.573 1.00 6.50 H new ATOM 0 HD2 PRO A 101 -2.538 22.779 -6.896 1.00 5.81 H new ATOM 0 HD3 PRO A 101 -3.512 24.188 -6.527 1.00 5.81 H new ATOM 1688 N PRO A 102 -5.879 21.432 -10.705 1.00 6.15 N ATOM 1689 CA PRO A 102 -5.823 20.312 -11.657 1.00 6.45 C ATOM 1690 C PRO A 102 -4.624 20.383 -12.605 1.00 6.96 C ATOM 1691 O PRO A 102 -4.400 19.471 -13.402 1.00 7.31 O ATOM 1692 CB PRO A 102 -7.129 20.447 -12.445 1.00 7.14 C ATOM 1693 CG PRO A 102 -7.491 21.890 -12.346 1.00 7.42 C ATOM 1694 CD PRO A 102 -6.994 22.354 -11.003 1.00 6.66 C ATOM 0 HA PRO A 102 -5.709 19.360 -11.139 1.00 6.45 H new ATOM 0 HB2 PRO A 102 -6.997 20.143 -13.483 1.00 7.14 H new ATOM 0 HB3 PRO A 102 -7.911 19.814 -12.025 1.00 7.14 H new ATOM 0 HG2 PRO A 102 -7.031 22.463 -13.151 1.00 7.42 H new ATOM 0 HG3 PRO A 102 -8.569 22.028 -12.432 1.00 7.42 H new ATOM 0 HD2 PRO A 102 -6.659 23.391 -11.036 1.00 6.66 H new ATOM 0 HD3 PRO A 102 -7.775 22.296 -10.245 1.00 6.66 H new ATOM 1702 N ILE A 103 -3.856 21.469 -12.515 1.00 7.14 N ATOM 1703 CA ILE A 103 -2.683 21.652 -13.365 1.00 7.71 C ATOM 1704 C ILE A 103 -1.474 20.893 -12.806 1.00 7.31 C ATOM 1705 O ILE A 103 -0.522 20.600 -13.531 1.00 7.64 O ATOM 1706 CB ILE A 103 -2.335 23.155 -13.532 1.00 8.28 C ATOM 1707 CG1 ILE A 103 -1.306 23.358 -14.650 1.00 9.04 C ATOM 1708 CG2 ILE A 103 -1.821 23.746 -12.226 1.00 8.23 C ATOM 1709 CD1 ILE A 103 -1.835 23.038 -16.032 1.00 9.66 C ATOM 0 H ILE A 103 -4.026 22.234 -11.862 1.00 7.14 H new ATOM 0 HA ILE A 103 -2.928 21.245 -14.346 1.00 7.71 H new ATOM 0 HB ILE A 103 -3.251 23.678 -13.807 1.00 8.28 H new ATOM 0 HG12 ILE A 103 -0.964 24.393 -14.633 1.00 9.04 H new ATOM 0 HG13 ILE A 103 -0.437 22.731 -14.450 1.00 9.04 H new ATOM 0 HG21 ILE A 103 -1.585 24.800 -12.372 1.00 8.23 H new ATOM 0 HG22 ILE A 103 -2.587 23.649 -11.456 1.00 8.23 H new ATOM 0 HG23 ILE A 103 -0.923 23.213 -11.914 1.00 8.23 H new ATOM 0 HD11 ILE A 103 -1.050 23.205 -16.770 1.00 9.66 H new ATOM 0 HD12 ILE A 103 -2.151 21.995 -16.068 1.00 9.66 H new ATOM 0 HD13 ILE A 103 -2.685 23.683 -16.254 1.00 9.66 H new ATOM 1721 N LYS A 104 -1.526 20.564 -11.515 1.00 6.73 N ATOM 1722 CA LYS A 104 -0.439 19.840 -10.866 1.00 6.37 C ATOM 1723 C LYS A 104 -0.908 18.460 -10.402 1.00 5.89 C ATOM 1724 O LYS A 104 -1.614 18.339 -9.400 1.00 5.68 O ATOM 1725 CB LYS A 104 0.098 20.641 -9.678 1.00 6.44 C ATOM 1726 CG LYS A 104 1.380 20.070 -9.089 1.00 6.74 C ATOM 1727 CD LYS A 104 1.824 20.839 -7.853 1.00 7.08 C ATOM 1728 CE LYS A 104 0.933 20.540 -6.656 1.00 7.57 C ATOM 1729 NZ LYS A 104 1.420 21.211 -5.420 1.00 8.00 N ATOM 0 H LYS A 104 -2.309 20.788 -10.901 1.00 6.73 H new ATOM 0 HA LYS A 104 0.363 19.705 -11.592 1.00 6.37 H new ATOM 0 HB2 LYS A 104 0.279 21.668 -9.995 1.00 6.44 H new ATOM 0 HB3 LYS A 104 -0.665 20.677 -8.900 1.00 6.44 H new ATOM 0 HG2 LYS A 104 1.226 19.022 -8.830 1.00 6.74 H new ATOM 0 HG3 LYS A 104 2.170 20.100 -9.839 1.00 6.74 H new ATOM 0 HD2 LYS A 104 2.855 20.579 -7.613 1.00 7.08 H new ATOM 0 HD3 LYS A 104 1.805 21.908 -8.063 1.00 7.08 H new ATOM 0 HE2 LYS A 104 -0.084 20.867 -6.870 1.00 7.57 H new ATOM 0 HE3 LYS A 104 0.894 19.463 -6.493 1.00 7.57 H new ATOM 0 HZ1 LYS A 104 1.073 20.696 -4.586 1.00 8.00 H new ATOM 0 HZ2 LYS A 104 2.460 21.218 -5.415 1.00 8.00 H new ATOM 0 HZ3 LYS A 104 1.068 22.189 -5.394 1.00 8.00 H new ATOM 1743 N PRO A 105 -0.522 17.399 -11.139 1.00 5.95 N ATOM 1744 CA PRO A 105 -0.899 16.021 -10.806 1.00 5.79 C ATOM 1745 C PRO A 105 -0.066 15.434 -9.665 1.00 5.46 C ATOM 1746 O PRO A 105 -0.545 14.592 -8.905 1.00 5.28 O ATOM 1747 CB PRO A 105 -0.636 15.267 -12.108 1.00 6.33 C ATOM 1748 CG PRO A 105 0.461 16.026 -12.777 1.00 6.61 C ATOM 1749 CD PRO A 105 0.301 17.468 -12.365 1.00 6.47 C ATOM 0 HA PRO A 105 -1.928 15.955 -10.453 1.00 5.79 H new ATOM 0 HB2 PRO A 105 -0.342 14.235 -11.915 1.00 6.33 H new ATOM 0 HB3 PRO A 105 -1.529 15.232 -12.732 1.00 6.33 H new ATOM 0 HG2 PRO A 105 1.436 15.643 -12.476 1.00 6.61 H new ATOM 0 HG3 PRO A 105 0.398 15.923 -13.860 1.00 6.61 H new ATOM 0 HD2 PRO A 105 1.266 17.938 -12.173 1.00 6.47 H new ATOM 0 HD3 PRO A 105 -0.189 18.054 -13.143 1.00 6.47 H new ATOM 1757 N ARG A 106 1.182 15.883 -9.555 1.00 5.56 N ATOM 1758 CA ARG A 106 2.086 15.409 -8.511 1.00 5.43 C ATOM 1759 C ARG A 106 3.040 16.520 -8.085 1.00 5.72 C ATOM 1760 O ARG A 106 3.379 17.399 -8.879 1.00 6.01 O ATOM 1761 CB ARG A 106 2.877 14.188 -8.996 1.00 5.69 C ATOM 1762 CG ARG A 106 3.586 14.397 -10.326 1.00 6.20 C ATOM 1763 CD ARG A 106 4.481 13.218 -10.675 1.00 6.57 C ATOM 1764 NE ARG A 106 5.668 13.161 -9.825 1.00 6.84 N ATOM 1765 CZ ARG A 106 6.570 12.182 -9.875 1.00 7.39 C ATOM 1766 NH1 ARG A 106 6.414 11.171 -10.720 1.00 7.71 N ATOM 1767 NH2 ARG A 106 7.628 12.213 -9.076 1.00 7.84 N ATOM 0 H ARG A 106 1.591 16.578 -10.180 1.00 5.56 H new ATOM 0 HA ARG A 106 1.487 15.114 -7.649 1.00 5.43 H new ATOM 0 HB2 ARG A 106 3.616 13.923 -8.240 1.00 5.69 H new ATOM 0 HB3 ARG A 106 2.197 13.341 -9.088 1.00 5.69 H new ATOM 0 HG2 ARG A 106 2.847 14.539 -11.114 1.00 6.20 H new ATOM 0 HG3 ARG A 106 4.184 15.307 -10.281 1.00 6.20 H new ATOM 0 HD2 ARG A 106 3.916 12.291 -10.572 1.00 6.57 H new ATOM 0 HD3 ARG A 106 4.786 13.291 -11.719 1.00 6.57 H new ATOM 0 HE ARG A 106 5.815 13.915 -9.154 1.00 6.84 H new ATOM 0 HH11 ARG A 106 5.601 11.141 -11.335 1.00 7.71 H new ATOM 0 HH12 ARG A 106 7.107 10.424 -10.755 1.00 7.71 H new ATOM 0 HH21 ARG A 106 7.751 12.987 -8.423 1.00 7.84 H new ATOM 0 HH22 ARG A 106 8.318 11.463 -9.115 1.00 7.84 H new ATOM 1781 N LYS A 107 3.471 16.477 -6.828 1.00 5.92 N ATOM 1782 CA LYS A 107 4.385 17.483 -6.299 1.00 6.42 C ATOM 1783 C LYS A 107 5.838 17.055 -6.490 1.00 6.87 C ATOM 1784 O LYS A 107 6.435 17.438 -7.517 1.00 7.06 O ATOM 1785 CB LYS A 107 4.094 17.730 -4.816 1.00 6.74 C ATOM 1786 CG LYS A 107 4.806 18.950 -4.248 1.00 7.12 C ATOM 1787 CD LYS A 107 4.517 19.132 -2.766 1.00 7.73 C ATOM 1788 CE LYS A 107 5.167 18.040 -1.929 1.00 8.18 C ATOM 1789 NZ LYS A 107 4.885 18.210 -0.477 1.00 8.47 N ATOM 1790 OXT LYS A 107 6.368 16.340 -5.612 1.00 7.27 O ATOM 0 H LYS A 107 3.202 15.757 -6.158 1.00 5.92 H new ATOM 0 HA LYS A 107 4.230 18.411 -6.850 1.00 6.42 H new ATOM 0 HB2 LYS A 107 3.019 17.852 -4.681 1.00 6.74 H new ATOM 0 HB3 LYS A 107 4.389 16.850 -4.245 1.00 6.74 H new ATOM 0 HG2 LYS A 107 5.881 18.847 -4.399 1.00 7.12 H new ATOM 0 HG3 LYS A 107 4.492 19.841 -4.792 1.00 7.12 H new ATOM 0 HD2 LYS A 107 4.882 20.106 -2.441 1.00 7.73 H new ATOM 0 HD3 LYS A 107 3.440 19.124 -2.601 1.00 7.73 H new ATOM 0 HE2 LYS A 107 4.804 17.066 -2.258 1.00 8.18 H new ATOM 0 HE3 LYS A 107 6.245 18.050 -2.093 1.00 8.18 H new ATOM 0 HZ1 LYS A 107 5.345 17.446 0.058 1.00 8.47 H new ATOM 0 HZ2 LYS A 107 5.254 19.128 -0.157 1.00 8.47 H new ATOM 0 HZ3 LYS A 107 3.858 18.175 -0.316 1.00 8.47 H new TER 1804 LYS A 107 ATOM 1805 OP3 DT B 1 -7.099 -28.433 -6.743 1.00 2.61 O ATOM 1806 P DT B 1 -6.719 -26.902 -6.527 1.00 2.20 P ATOM 1807 OP1 DT B 1 -6.901 -26.580 -5.089 1.00 2.80 O ATOM 1808 OP2 DT B 1 -5.409 -26.645 -7.176 1.00 2.56 O ATOM 1809 O5' DT B 1 -7.845 -26.118 -7.340 1.00 2.08 O ATOM 1810 C5' DT B 1 -8.401 -26.656 -8.540 1.00 2.25 C ATOM 1811 C4' DT B 1 -8.884 -25.540 -9.437 1.00 2.22 C ATOM 1812 O4' DT B 1 -10.027 -24.912 -8.798 1.00 2.06 O ATOM 1813 C3' DT B 1 -7.838 -24.431 -9.579 1.00 2.18 C ATOM 1814 O3' DT B 1 -8.012 -23.604 -10.739 1.00 2.29 O ATOM 1815 C2' DT B 1 -8.133 -23.546 -8.385 1.00 1.96 C ATOM 1816 C1' DT B 1 -9.646 -23.639 -8.296 1.00 1.91 C ATOM 1817 N1 DT B 1 -10.193 -23.430 -6.938 1.00 1.72 N ATOM 1818 C2 DT B 1 -10.858 -22.237 -6.748 1.00 1.61 C ATOM 1819 O2 DT B 1 -11.063 -21.439 -7.650 1.00 1.71 O ATOM 1820 N3 DT B 1 -11.279 -22.006 -5.467 1.00 1.49 N ATOM 1821 C4 DT B 1 -11.122 -22.829 -4.377 1.00 1.49 C ATOM 1822 O4 DT B 1 -11.474 -22.428 -3.260 1.00 1.48 O ATOM 1823 C5 DT B 1 -10.449 -24.093 -4.650 1.00 1.64 C ATOM 1824 C7 DT B 1 -10.229 -25.059 -3.528 1.00 1.78 C ATOM 1825 C6 DT B 1 -10.025 -24.331 -5.907 1.00 1.74 C ATOM 0 H5' DT B 1 -9.229 -27.323 -8.299 1.00 2.25 H new ATOM 0 H5'' DT B 1 -7.652 -27.253 -9.061 1.00 2.25 H new ATOM 0 H4' DT B 1 -9.108 -25.973 -10.412 1.00 2.22 H new ATOM 0 H3' DT B 1 -6.841 -24.866 -9.651 1.00 2.18 H new ATOM 0 H2' DT B 1 -7.647 -23.907 -7.479 1.00 1.96 H new ATOM 0 H2'' DT B 1 -7.795 -22.522 -8.542 1.00 1.96 H new ATOM 0 H1' DT B 1 -10.066 -22.826 -8.889 1.00 1.91 H new ATOM 0 H3 DT B 1 -11.764 -21.124 -5.302 1.00 1.49 H new ATOM 0 H71 DT B 1 -10.232 -26.077 -3.918 1.00 1.78 H new ATOM 0 H72 DT B 1 -9.269 -24.854 -3.055 1.00 1.78 H new ATOM 0 H73 DT B 1 -11.026 -24.950 -2.793 1.00 1.78 H new ATOM 0 H6 DT B 1 -9.532 -25.269 -6.116 1.00 1.74 H new ATOM 1839 P DA B 2 -6.957 -22.407 -11.000 1.00 2.27 P ATOM 1840 OP1 DA B 2 -6.914 -21.955 -12.405 1.00 2.47 O ATOM 1841 OP2 DA B 2 -5.673 -22.884 -10.430 1.00 2.19 O ATOM 1842 O5' DA B 2 -7.550 -21.253 -10.072 1.00 2.12 O ATOM 1843 C5' DA B 2 -8.953 -20.910 -10.195 1.00 2.18 C ATOM 1844 C4' DA B 2 -9.141 -19.429 -9.959 1.00 2.16 C ATOM 1845 O4' DA B 2 -9.157 -19.187 -8.515 1.00 1.98 O ATOM 1846 C3' DA B 2 -8.036 -18.513 -10.481 1.00 2.19 C ATOM 1847 O3' DA B 2 -8.502 -17.184 -10.709 1.00 2.28 O ATOM 1848 C2' DA B 2 -7.035 -18.502 -9.337 1.00 1.97 C ATOM 1849 C1' DA B 2 -7.946 -18.577 -8.118 1.00 1.86 C ATOM 1850 N9 DA B 2 -7.380 -19.377 -6.997 1.00 1.69 N ATOM 1851 C8 DA B 2 -6.641 -20.526 -7.065 1.00 1.68 C ATOM 1852 N7 DA B 2 -6.297 -20.993 -5.901 1.00 1.57 N ATOM 1853 C5 DA B 2 -6.834 -20.083 -5.008 1.00 1.48 C ATOM 1854 C6 DA B 2 -6.823 -20.012 -3.599 1.00 1.40 C ATOM 1855 N6 DA B 2 -6.207 -20.920 -2.825 1.00 1.38 N ATOM 1856 N1 DA B 2 -7.462 -18.981 -3.026 1.00 1.40 N ATOM 1857 C2 DA B 2 -8.068 -18.088 -3.804 1.00 1.49 C ATOM 1858 N3 DA B 2 -8.157 -18.044 -5.116 1.00 1.58 N ATOM 1859 C4 DA B 2 -7.509 -19.091 -5.661 1.00 1.56 C ATOM 0 H5' DA B 2 -9.540 -21.480 -9.475 1.00 2.18 H new ATOM 0 H5'' DA B 2 -9.317 -21.179 -11.187 1.00 2.18 H new ATOM 0 H4' DA B 2 -10.060 -19.193 -10.495 1.00 2.16 H new ATOM 0 H3' DA B 2 -7.636 -18.859 -11.434 1.00 2.19 H new ATOM 0 H2' DA B 2 -6.349 -19.348 -9.387 1.00 1.97 H new ATOM 0 H2'' DA B 2 -6.426 -17.598 -9.336 1.00 1.97 H new ATOM 0 H1' DA B 2 -8.080 -17.558 -7.755 1.00 1.86 H new ATOM 0 H8 DA B 2 -6.369 -21.000 -7.996 1.00 1.68 H new ATOM 0 H61 DA B 2 -6.228 -20.823 -1.810 1.00 1.38 H new ATOM 0 H62 DA B 2 -5.718 -21.706 -3.252 1.00 1.38 H new ATOM 0 H2 DA B 2 -8.559 -17.280 -3.282 1.00 1.49 H new ATOM 1871 P DC B 3 -7.464 -15.974 -10.665 1.00 2.25 P ATOM 1872 OP1 DC B 3 -7.894 -14.916 -11.599 1.00 2.46 O ATOM 1873 OP2 DC B 3 -6.092 -16.498 -10.868 1.00 2.18 O ATOM 1874 O5' DC B 3 -7.625 -15.473 -9.160 1.00 2.07 O ATOM 1875 C5' DC B 3 -8.959 -15.287 -8.625 1.00 2.12 C ATOM 1876 C4' DC B 3 -8.965 -14.128 -7.655 1.00 2.08 C ATOM 1877 O4' DC B 3 -8.457 -14.594 -6.366 1.00 1.87 O ATOM 1878 C3' DC B 3 -8.066 -12.944 -8.009 1.00 2.12 C ATOM 1879 O3' DC B 3 -8.504 -11.734 -7.398 1.00 2.20 O ATOM 1880 C2' DC B 3 -6.727 -13.348 -7.414 1.00 1.90 C ATOM 1881 C1' DC B 3 -7.149 -14.097 -6.157 1.00 1.76 C ATOM 1882 N1 DC B 3 -6.273 -15.253 -5.824 1.00 1.58 N ATOM 1883 C2 DC B 3 -6.001 -15.499 -4.480 1.00 1.43 C ATOM 1884 O2 DC B 3 -6.493 -14.750 -3.624 1.00 1.46 O ATOM 1885 N3 DC B 3 -5.204 -16.547 -4.158 1.00 1.31 N ATOM 1886 C4 DC B 3 -4.688 -17.335 -5.106 1.00 1.34 C ATOM 1887 N4 DC B 3 -3.918 -18.345 -4.734 1.00 1.29 N ATOM 1888 C5 DC B 3 -4.947 -17.100 -6.492 1.00 1.50 C ATOM 1889 C6 DC B 3 -5.752 -16.045 -6.795 1.00 1.61 C ATOM 0 H5' DC B 3 -9.289 -16.196 -8.122 1.00 2.12 H new ATOM 0 H5'' DC B 3 -9.663 -15.098 -9.436 1.00 2.12 H new ATOM 0 H4' DC B 3 -10.000 -13.786 -7.664 1.00 2.08 H new ATOM 0 H3' DC B 3 -8.051 -12.749 -9.081 1.00 2.12 H new ATOM 0 H2' DC B 3 -6.154 -13.980 -8.092 1.00 1.90 H new ATOM 0 H2'' DC B 3 -6.106 -12.483 -7.183 1.00 1.90 H new ATOM 0 H1' DC B 3 -7.084 -13.393 -5.328 1.00 1.76 H new ATOM 0 H41 DC B 3 -3.511 -18.962 -5.437 1.00 1.29 H new ATOM 0 H42 DC B 3 -3.731 -18.506 -3.744 1.00 1.29 H new ATOM 0 H5 DC B 3 -4.524 -17.729 -7.262 1.00 1.50 H new ATOM 0 H6 DC B 3 -5.981 -15.834 -7.829 1.00 1.61 H new ATOM 1901 P DA B 4 -7.452 -10.567 -7.129 1.00 2.17 P ATOM 1902 OP1 DA B 4 -8.123 -9.256 -7.232 1.00 2.39 O ATOM 1903 OP2 DA B 4 -6.272 -10.761 -8.005 1.00 2.13 O ATOM 1904 O5' DA B 4 -7.040 -10.854 -5.615 1.00 1.97 O ATOM 1905 C5' DA B 4 -8.086 -11.108 -4.645 1.00 2.00 C ATOM 1906 C4' DA B 4 -7.683 -10.549 -3.300 1.00 1.94 C ATOM 1907 O4' DA B 4 -6.780 -11.498 -2.650 1.00 1.72 O ATOM 1908 C3' DA B 4 -6.901 -9.238 -3.318 1.00 1.99 C ATOM 1909 O3' DA B 4 -7.027 -8.518 -2.093 1.00 2.06 O ATOM 1910 C2' DA B 4 -5.464 -9.703 -3.481 1.00 1.77 C ATOM 1911 C1' DA B 4 -5.456 -11.000 -2.681 1.00 1.61 C ATOM 1912 N9 DA B 4 -4.587 -12.058 -3.263 1.00 1.44 N ATOM 1913 C8 DA B 4 -4.378 -12.354 -4.582 1.00 1.47 C ATOM 1914 N7 DA B 4 -3.559 -13.345 -4.770 1.00 1.33 N ATOM 1915 C5 DA B 4 -3.194 -13.718 -3.490 1.00 1.19 C ATOM 1916 C6 DA B 4 -2.335 -14.725 -3.002 1.00 1.06 C ATOM 1917 N6 DA B 4 -1.659 -15.564 -3.804 1.00 1.05 N ATOM 1918 N1 DA B 4 -2.202 -14.833 -1.671 1.00 1.02 N ATOM 1919 C2 DA B 4 -2.875 -13.996 -0.887 1.00 1.11 C ATOM 1920 N3 DA B 4 -3.703 -13.028 -1.215 1.00 1.24 N ATOM 1921 C4 DA B 4 -3.819 -12.947 -2.554 1.00 1.26 C ATOM 0 H5' DA B 4 -8.267 -12.180 -4.564 1.00 2.00 H new ATOM 0 H5'' DA B 4 -9.019 -10.651 -4.974 1.00 2.00 H new ATOM 0 H4' DA B 4 -8.633 -10.373 -2.796 1.00 1.94 H new ATOM 0 H3' DA B 4 -7.254 -8.563 -4.098 1.00 1.99 H new ATOM 0 H2' DA B 4 -5.205 -9.868 -4.527 1.00 1.77 H new ATOM 0 H2'' DA B 4 -4.753 -8.977 -3.087 1.00 1.77 H new ATOM 0 H1' DA B 4 -5.061 -10.766 -1.692 1.00 1.61 H new ATOM 0 H8 DA B 4 -4.849 -11.815 -5.391 1.00 1.47 H new ATOM 0 H61 DA B 4 -1.050 -16.276 -3.400 1.00 1.05 H new ATOM 0 H62 DA B 4 -1.755 -15.489 -4.817 1.00 1.05 H new ATOM 0 H2 DA B 4 -2.719 -14.131 0.173 1.00 1.11 H new ATOM 1933 P DA B 5 -5.881 -7.494 -1.669 1.00 2.04 P ATOM 1934 OP1 DA B 5 -6.470 -6.382 -0.895 1.00 2.25 O ATOM 1935 OP2 DA B 5 -5.100 -7.107 -2.867 1.00 2.01 O ATOM 1936 O5' DA B 5 -4.978 -8.403 -0.717 1.00 1.83 O ATOM 1937 C5' DA B 5 -5.625 -9.211 0.296 1.00 1.84 C ATOM 1938 C4' DA B 5 -4.743 -9.300 1.519 1.00 1.79 C ATOM 1939 O4' DA B 5 -3.724 -10.324 1.286 1.00 1.56 O ATOM 1940 C3' DA B 5 -3.945 -8.048 1.873 1.00 1.85 C ATOM 1941 O3' DA B 5 -3.587 -8.009 3.253 1.00 1.93 O ATOM 1942 C2' DA B 5 -2.686 -8.202 1.034 1.00 1.64 C ATOM 1943 C1' DA B 5 -2.471 -9.710 1.055 1.00 1.47 C ATOM 1944 N9 DA B 5 -1.925 -10.255 -0.216 1.00 1.29 N ATOM 1945 C8 DA B 5 -2.213 -9.870 -1.497 1.00 1.33 C ATOM 1946 N7 DA B 5 -1.572 -10.548 -2.402 1.00 1.20 N ATOM 1947 C5 DA B 5 -0.798 -11.429 -1.668 1.00 1.03 C ATOM 1948 C6 DA B 5 0.118 -12.433 -2.046 1.00 0.89 C ATOM 1949 N6 DA B 5 0.418 -12.706 -3.326 1.00 0.91 N ATOM 1950 N1 DA B 5 0.706 -13.134 -1.065 1.00 0.84 N ATOM 1951 C2 DA B 5 0.401 -12.853 0.199 1.00 0.93 C ATOM 1952 N3 DA B 5 -0.432 -11.955 0.677 1.00 1.07 N ATOM 1953 C4 DA B 5 -1.007 -11.271 -0.328 1.00 1.10 C ATOM 0 H5' DA B 5 -5.824 -10.209 -0.094 1.00 1.84 H new ATOM 0 H5'' DA B 5 -6.588 -8.775 0.562 1.00 1.84 H new ATOM 0 H4' DA B 5 -5.443 -9.498 2.331 1.00 1.79 H new ATOM 0 H3' DA B 5 -4.512 -7.136 1.685 1.00 1.85 H new ATOM 0 H2' DA B 5 -2.823 -7.824 0.021 1.00 1.64 H new ATOM 0 H2'' DA B 5 -1.841 -7.664 1.464 1.00 1.64 H new ATOM 0 H1' DA B 5 -1.740 -9.920 1.836 1.00 1.47 H new ATOM 0 H8 DA B 5 -2.907 -9.078 -1.734 1.00 1.33 H new ATOM 0 H61 DA B 5 1.088 -13.443 -3.547 1.00 0.91 H new ATOM 0 H62 DA B 5 -0.024 -12.177 -4.077 1.00 0.91 H new ATOM 0 H2 DA B 5 0.912 -13.449 0.940 1.00 0.93 H new ATOM 1965 P DT B 6 -2.307 -7.171 3.706 1.00 1.92 P ATOM 1966 OP1 DT B 6 -2.520 -6.635 5.066 1.00 2.14 O ATOM 1967 OP2 DT B 6 -1.981 -6.174 2.658 1.00 1.89 O ATOM 1968 O5' DT B 6 -1.181 -8.299 3.734 1.00 1.71 O ATOM 1969 C5' DT B 6 -1.476 -9.561 4.384 1.00 1.72 C ATOM 1970 C4' DT B 6 -0.223 -10.103 5.035 1.00 1.68 C ATOM 1971 O4' DT B 6 0.586 -10.764 4.010 1.00 1.45 O ATOM 1972 C3' DT B 6 0.719 -9.075 5.655 1.00 1.76 C ATOM 1973 O3' DT B 6 1.543 -9.644 6.671 1.00 1.86 O ATOM 1974 C2' DT B 6 1.590 -8.661 4.480 1.00 1.55 C ATOM 1975 C1' DT B 6 1.709 -9.963 3.698 1.00 1.36 C ATOM 1976 N1 DT B 6 1.739 -9.777 2.223 1.00 1.16 N ATOM 1977 C2 DT B 6 2.576 -10.602 1.499 1.00 0.98 C ATOM 1978 O2 DT B 6 3.270 -11.457 2.019 1.00 0.99 O ATOM 1979 N3 DT B 6 2.570 -10.395 0.135 1.00 0.85 N ATOM 1980 C4 DT B 6 1.829 -9.461 -0.551 1.00 0.93 C ATOM 1981 O4 DT B 6 1.909 -9.368 -1.783 1.00 0.91 O ATOM 1982 C5 DT B 6 0.989 -8.640 0.287 1.00 1.14 C ATOM 1983 C7 DT B 6 0.157 -7.614 -0.420 1.00 1.31 C ATOM 1984 C6 DT B 6 0.964 -8.818 1.622 1.00 1.23 C ATOM 0 H5' DT B 6 -1.858 -10.276 3.655 1.00 1.72 H new ATOM 0 H5'' DT B 6 -2.256 -9.422 5.133 1.00 1.72 H new ATOM 0 H4' DT B 6 -0.599 -10.743 5.833 1.00 1.68 H new ATOM 0 H3' DT B 6 0.175 -8.259 6.131 1.00 1.76 H new ATOM 0 H2' DT B 6 1.128 -7.871 3.888 1.00 1.55 H new ATOM 0 H2'' DT B 6 2.562 -8.290 4.804 1.00 1.55 H new ATOM 0 H1' DT B 6 2.655 -10.422 3.985 1.00 1.36 H new ATOM 0 H3 DT B 6 3.177 -10.996 -0.422 1.00 0.85 H new ATOM 0 H71 DT B 6 0.671 -7.289 -1.325 1.00 1.31 H new ATOM 0 H72 DT B 6 -0.807 -8.048 -0.686 1.00 1.31 H new ATOM 0 H73 DT B 6 0.001 -6.757 0.236 1.00 1.31 H new ATOM 0 H6 DT B 6 0.323 -8.196 2.229 1.00 1.23 H new ATOM 1997 P DA B 7 2.945 -8.966 7.012 1.00 1.87 P ATOM 1998 OP1 DA B 7 3.258 -9.159 8.442 1.00 2.11 O ATOM 1999 OP2 DA B 7 2.937 -7.562 6.534 1.00 1.84 O ATOM 2000 O5' DA B 7 3.941 -9.827 6.114 1.00 1.65 O ATOM 2001 C5' DA B 7 3.826 -11.271 6.131 1.00 1.65 C ATOM 2002 C4' DA B 7 5.192 -11.896 5.977 1.00 1.62 C ATOM 2003 O4' DA B 7 5.549 -11.892 4.556 1.00 1.37 O ATOM 2004 C3' DA B 7 6.351 -11.171 6.657 1.00 1.73 C ATOM 2005 O3' DA B 7 7.447 -12.040 6.929 1.00 1.83 O ATOM 2006 C2' DA B 7 6.773 -10.150 5.613 1.00 1.51 C ATOM 2007 C1' DA B 7 6.535 -10.907 4.312 1.00 1.30 C ATOM 2008 N9 DA B 7 6.051 -10.049 3.197 1.00 1.09 N ATOM 2009 C8 DA B 7 5.182 -8.993 3.256 1.00 1.14 C ATOM 2010 N7 DA B 7 4.952 -8.445 2.099 1.00 0.99 N ATOM 2011 C5 DA B 7 5.732 -9.178 1.224 1.00 0.80 C ATOM 2012 C6 DA B 7 5.931 -9.097 -0.170 1.00 0.64 C ATOM 2013 N6 DA B 7 5.330 -8.177 -0.943 1.00 0.69 N ATOM 2014 N1 DA B 7 6.764 -9.987 -0.730 1.00 0.57 N ATOM 2015 C2 DA B 7 7.354 -10.891 0.048 1.00 0.68 C ATOM 2016 N3 DA B 7 7.248 -11.076 1.345 1.00 0.84 N ATOM 2017 C4 DA B 7 6.406 -10.170 1.877 1.00 0.88 C ATOM 0 H5' DA B 7 3.172 -11.602 5.325 1.00 1.65 H new ATOM 0 H5'' DA B 7 3.370 -11.597 7.066 1.00 1.65 H new ATOM 0 H4' DA B 7 5.084 -12.876 6.442 1.00 1.62 H new ATOM 0 H3' DA B 7 6.057 -10.749 7.618 1.00 1.73 H new ATOM 0 H2' DA B 7 6.177 -9.239 5.669 1.00 1.51 H new ATOM 0 H2'' DA B 7 7.816 -9.856 5.729 1.00 1.51 H new ATOM 0 H1' DA B 7 7.494 -11.325 4.006 1.00 1.30 H new ATOM 0 H8 DA B 7 4.731 -8.648 4.175 1.00 1.14 H new ATOM 0 H61 DA B 7 5.507 -8.160 -1.947 1.00 0.69 H new ATOM 0 H62 DA B 7 4.696 -7.495 -0.525 1.00 0.69 H new ATOM 0 H2 DA B 7 8.018 -11.574 -0.461 1.00 0.68 H new ATOM 2029 P DT B 8 8.916 -11.435 7.060 1.00 1.86 P ATOM 2030 OP1 DT B 8 9.702 -12.235 8.019 1.00 2.10 O ATOM 2031 OP2 DT B 8 8.819 -9.983 7.351 1.00 1.84 O ATOM 2032 O5' DT B 8 9.480 -11.643 5.583 1.00 1.63 O ATOM 2033 C5' DT B 8 9.294 -12.930 4.941 1.00 1.61 C ATOM 2034 C4' DT B 8 10.481 -13.234 4.055 1.00 1.57 C ATOM 2035 O4' DT B 8 10.311 -12.522 2.789 1.00 1.32 O ATOM 2036 C3' DT B 8 11.844 -12.775 4.568 1.00 1.70 C ATOM 2037 O3' DT B 8 12.913 -13.528 4.001 1.00 1.78 O ATOM 2038 C2' DT B 8 11.927 -11.342 4.072 1.00 1.49 C ATOM 2039 C1' DT B 8 11.203 -11.424 2.735 1.00 1.26 C ATOM 2040 N1 DT B 8 10.407 -10.209 2.407 1.00 1.06 N ATOM 2041 C2 DT B 8 10.389 -9.803 1.088 1.00 0.85 C ATOM 2042 O2 DT B 8 10.990 -10.394 0.210 1.00 0.85 O ATOM 2043 N3 DT B 8 9.637 -8.674 0.830 1.00 0.71 N ATOM 2044 C4 DT B 8 8.925 -7.935 1.746 1.00 0.82 C ATOM 2045 O4 DT B 8 8.287 -6.936 1.395 1.00 0.80 O ATOM 2046 C5 DT B 8 9.006 -8.432 3.099 1.00 1.04 C ATOM 2047 C7 DT B 8 8.238 -7.660 4.129 1.00 1.22 C ATOM 2048 C6 DT B 8 9.724 -9.534 3.388 1.00 1.14 C ATOM 0 H5' DT B 8 8.379 -12.923 4.349 1.00 1.61 H new ATOM 0 H5'' DT B 8 9.181 -13.710 5.694 1.00 1.61 H new ATOM 0 H4' DT B 8 10.491 -14.322 3.993 1.00 1.57 H new ATOM 0 H3' DT B 8 11.934 -12.892 5.648 1.00 1.70 H new ATOM 0 H2' DT B 8 11.442 -10.645 4.756 1.00 1.49 H new ATOM 0 H2'' DT B 8 12.959 -11.010 3.957 1.00 1.49 H new ATOM 0 H1' DT B 8 11.966 -11.528 1.964 1.00 1.26 H new ATOM 0 H3 DT B 8 9.606 -8.356 -0.139 1.00 0.71 H new ATOM 0 H71 DT B 8 8.185 -6.612 3.834 1.00 1.22 H new ATOM 0 H72 DT B 8 7.230 -8.066 4.211 1.00 1.22 H new ATOM 0 H73 DT B 8 8.740 -7.740 5.093 1.00 1.22 H new ATOM 0 H6 DT B 8 9.763 -9.892 4.406 1.00 1.14 H new ATOM 2061 P DA B 9 14.364 -12.878 3.907 1.00 1.82 P ATOM 2062 OP1 DA B 9 15.393 -13.932 4.033 1.00 2.06 O ATOM 2063 OP2 DA B 9 14.464 -11.758 4.872 1.00 1.83 O ATOM 2064 O5' DA B 9 14.358 -12.298 2.421 1.00 1.59 O ATOM 2065 C5' DA B 9 13.885 -13.146 1.344 1.00 1.55 C ATOM 2066 C4' DA B 9 14.662 -12.850 0.081 1.00 1.52 C ATOM 2067 O4' DA B 9 14.098 -11.653 -0.545 1.00 1.27 O ATOM 2068 C3' DA B 9 16.143 -12.520 0.257 1.00 1.65 C ATOM 2069 O3' DA B 9 16.898 -12.782 -0.922 1.00 1.73 O ATOM 2070 C2' DA B 9 16.126 -11.022 0.519 1.00 1.46 C ATOM 2071 C1' DA B 9 14.973 -10.559 -0.360 1.00 1.23 C ATOM 2072 N9 DA B 9 14.184 -9.441 0.228 1.00 1.04 N ATOM 2073 C8 DA B 9 13.846 -9.239 1.538 1.00 1.11 C ATOM 2074 N7 DA B 9 13.140 -8.166 1.734 1.00 0.98 N ATOM 2075 C5 DA B 9 13.016 -7.617 0.470 1.00 0.79 C ATOM 2076 C6 DA B 9 12.368 -6.457 -0.004 1.00 0.64 C ATOM 2077 N6 DA B 9 11.707 -5.606 0.800 1.00 0.71 N ATOM 2078 N1 DA B 9 12.429 -6.208 -1.320 1.00 0.57 N ATOM 2079 C2 DA B 9 13.087 -7.057 -2.104 1.00 0.66 C ATOM 2080 N3 DA B 9 13.722 -8.166 -1.791 1.00 0.79 N ATOM 2081 C4 DA B 9 13.642 -8.389 -0.466 1.00 0.84 C ATOM 0 H5' DA B 9 12.821 -12.977 1.176 1.00 1.55 H new ATOM 0 H5'' DA B 9 14.002 -14.195 1.616 1.00 1.55 H new ATOM 0 H4' DA B 9 14.584 -13.772 -0.494 1.00 1.52 H new ATOM 0 H3' DA B 9 16.603 -13.117 1.044 1.00 1.65 H new ATOM 0 H2' DA B 9 15.954 -10.794 1.571 1.00 1.46 H new ATOM 0 H2'' DA B 9 17.067 -10.548 0.240 1.00 1.46 H new ATOM 0 H1' DA B 9 15.407 -10.196 -1.292 1.00 1.23 H new ATOM 0 H8 DA B 9 14.138 -9.908 2.334 1.00 1.11 H new ATOM 0 H61 DA B 9 11.255 -4.780 0.407 1.00 0.71 H new ATOM 0 H62 DA B 9 11.658 -5.786 1.803 1.00 0.71 H new ATOM 0 H2 DA B 9 13.102 -6.798 -3.152 1.00 0.66 H new ATOM 2093 P DA B 10 18.258 -11.988 -1.173 1.00 1.78 P ATOM 2094 OP1 DA B 10 19.202 -12.842 -1.922 1.00 2.00 O ATOM 2095 OP2 DA B 10 18.753 -11.448 0.115 1.00 1.80 O ATOM 2096 O5' DA B 10 17.760 -10.786 -2.095 1.00 1.56 O ATOM 2097 C5' DA B 10 16.889 -11.081 -3.216 1.00 1.52 C ATOM 2098 C4' DA B 10 17.186 -10.134 -4.356 1.00 1.50 C ATOM 2099 O4' DA B 10 16.505 -8.864 -4.098 1.00 1.26 O ATOM 2100 C3' DA B 10 18.649 -9.745 -4.552 1.00 1.63 C ATOM 2101 O3' DA B 10 18.921 -9.326 -5.887 1.00 1.72 O ATOM 2102 C2' DA B 10 18.812 -8.560 -3.614 1.00 1.46 C ATOM 2103 C1' DA B 10 17.451 -7.885 -3.714 1.00 1.24 C ATOM 2104 N9 DA B 10 16.986 -7.281 -2.438 1.00 1.07 N ATOM 2105 C8 DA B 10 17.145 -7.759 -1.166 1.00 1.12 C ATOM 2106 N7 DA B 10 16.616 -7.000 -0.252 1.00 1.02 N ATOM 2107 C5 DA B 10 16.086 -5.943 -0.970 1.00 0.85 C ATOM 2108 C6 DA B 10 15.380 -4.787 -0.578 1.00 0.74 C ATOM 2109 N6 DA B 10 15.095 -4.501 0.705 1.00 0.81 N ATOM 2110 N1 DA B 10 14.984 -3.945 -1.544 1.00 0.69 N ATOM 2111 C2 DA B 10 15.273 -4.238 -2.810 1.00 0.76 C ATOM 2112 N3 DA B 10 15.913 -5.275 -3.301 1.00 0.86 N ATOM 2113 C4 DA B 10 16.293 -6.101 -2.309 1.00 0.89 C ATOM 0 H5' DA B 10 15.846 -10.985 -2.914 1.00 1.52 H new ATOM 0 H5'' DA B 10 17.034 -12.112 -3.540 1.00 1.52 H new ATOM 0 H4' DA B 10 16.859 -10.681 -5.240 1.00 1.50 H new ATOM 0 H3' DA B 10 19.322 -10.580 -4.357 1.00 1.63 H new ATOM 0 H2' DA B 10 19.037 -8.875 -2.595 1.00 1.46 H new ATOM 0 H2'' DA B 10 19.619 -7.899 -3.929 1.00 1.46 H new ATOM 0 H1' DA B 10 17.548 -7.076 -4.438 1.00 1.24 H new ATOM 0 H8 DA B 10 17.662 -8.681 -0.942 1.00 1.12 H new ATOM 0 H61 DA B 10 14.581 -3.651 0.936 1.00 0.81 H new ATOM 0 H62 DA B 10 15.393 -5.134 1.447 1.00 0.81 H new ATOM 0 H2 DA B 10 14.932 -3.519 -3.540 1.00 0.76 H new ATOM 2125 P DC B 11 20.148 -8.348 -6.165 1.00 1.78 P ATOM 2126 OP1 DC B 11 20.717 -8.627 -7.500 1.00 2.00 O ATOM 2127 OP2 DC B 11 21.097 -8.419 -5.029 1.00 1.79 O ATOM 2128 O5' DC B 11 19.426 -6.926 -6.165 1.00 1.58 O ATOM 2129 C5' DC B 11 18.200 -6.766 -6.921 1.00 1.55 C ATOM 2130 C4' DC B 11 18.127 -5.367 -7.489 1.00 1.54 C ATOM 2131 O4' DC B 11 17.657 -4.461 -6.441 1.00 1.33 O ATOM 2132 C3' DC B 11 19.448 -4.755 -7.951 1.00 1.68 C ATOM 2133 O3' DC B 11 19.256 -3.728 -8.923 1.00 1.78 O ATOM 2134 C2' DC B 11 20.000 -4.137 -6.677 1.00 1.51 C ATOM 2135 C1' DC B 11 18.732 -3.669 -5.976 1.00 1.31 C ATOM 2136 N1 DC B 11 18.783 -3.797 -4.495 1.00 1.14 N ATOM 2137 C2 DC B 11 18.187 -2.792 -3.735 1.00 1.00 C ATOM 2138 O2 DC B 11 17.649 -1.841 -4.314 1.00 1.03 O ATOM 2139 N3 DC B 11 18.226 -2.890 -2.382 1.00 0.91 N ATOM 2140 C4 DC B 11 18.817 -3.932 -1.785 1.00 0.98 C ATOM 2141 N4 DC B 11 18.820 -3.979 -0.461 1.00 1.00 N ATOM 2142 C5 DC B 11 19.438 -4.972 -2.544 1.00 1.14 C ATOM 2143 C6 DC B 11 19.387 -4.856 -3.897 1.00 1.20 C ATOM 0 H5' DC B 11 17.339 -6.953 -6.279 1.00 1.55 H new ATOM 0 H5'' DC B 11 18.161 -7.498 -7.728 1.00 1.55 H new ATOM 0 H4' DC B 11 17.476 -5.471 -8.357 1.00 1.54 H new ATOM 0 H3' DC B 11 20.097 -5.495 -8.420 1.00 1.68 H new ATOM 0 H2' DC B 11 20.553 -4.861 -6.079 1.00 1.51 H new ATOM 0 H2'' DC B 11 20.679 -3.311 -6.886 1.00 1.51 H new ATOM 0 H1' DC B 11 18.613 -2.610 -6.205 1.00 1.31 H new ATOM 0 H41 DC B 11 19.263 -4.761 0.021 1.00 1.00 H new ATOM 0 H42 DC B 11 18.379 -3.233 0.077 1.00 1.00 H new ATOM 0 H5 DC B 11 19.924 -5.809 -2.065 1.00 1.14 H new ATOM 0 H6 DC B 11 19.837 -5.623 -4.510 1.00 1.20 H new ATOM 2155 P DG B 12 20.358 -2.591 -9.090 1.00 1.84 P ATOM 2156 OP1 DG B 12 20.402 -2.139 -10.495 1.00 2.07 O ATOM 2157 OP2 DG B 12 21.642 -3.067 -8.522 1.00 1.85 O ATOM 2158 O5' DG B 12 19.765 -1.436 -8.162 1.00 1.66 O ATOM 2159 C5' DG B 12 18.361 -1.093 -8.287 1.00 1.64 C ATOM 2160 C4' DG B 12 18.175 0.388 -8.048 1.00 1.65 C ATOM 2161 O4' DG B 12 18.158 0.631 -6.606 1.00 1.44 O ATOM 2162 C3' DG B 12 19.280 1.304 -8.570 1.00 1.78 C ATOM 2163 O3' DG B 12 18.814 2.632 -8.798 1.00 1.89 O ATOM 2164 C2' DG B 12 20.281 1.314 -7.427 1.00 1.62 C ATOM 2165 C1' DG B 12 19.371 1.239 -6.207 1.00 1.43 C ATOM 2166 N9 DG B 12 19.934 0.440 -5.087 1.00 1.27 N ATOM 2167 C8 DG B 12 20.679 -0.720 -5.130 1.00 1.29 C ATOM 2168 N7 DG B 12 21.028 -1.175 -3.954 1.00 1.20 N ATOM 2169 C5 DG B 12 20.473 -0.258 -3.058 1.00 1.09 C ATOM 2170 C6 DG B 12 20.511 -0.225 -1.646 1.00 1.04 C ATOM 2171 O6 DG B 12 21.049 -1.010 -0.866 1.00 1.08 O ATOM 2172 N1 DG B 12 19.816 0.888 -1.140 1.00 1.03 N ATOM 2173 C2 DG B 12 19.178 1.841 -1.909 1.00 1.08 C ATOM 2174 N2 DG B 12 18.575 2.828 -1.240 1.00 1.16 N ATOM 2175 N3 DG B 12 19.137 1.804 -3.239 1.00 1.15 N ATOM 2176 C4 DG B 12 19.799 0.734 -3.748 1.00 1.14 C ATOM 0 H5' DG B 12 17.772 -1.664 -7.569 1.00 1.64 H new ATOM 0 H5'' DG B 12 17.999 -1.359 -9.280 1.00 1.64 H new ATOM 0 H4' DG B 12 17.255 0.624 -8.584 1.00 1.65 H new ATOM 0 H3' DG B 12 19.680 0.959 -9.523 1.00 1.78 H new ATOM 0 H2' DG B 12 20.966 0.468 -7.477 1.00 1.62 H new ATOM 0 H2'' DG B 12 20.890 2.218 -7.426 1.00 1.62 H new ATOM 0 H1' DG B 12 19.240 2.258 -5.842 1.00 1.43 H new ATOM 0 H8 DG B 12 20.950 -1.210 -6.053 1.00 1.29 H new ATOM 0 H1 DG B 12 19.780 1.000 -0.127 1.00 1.03 H new ATOM 0 H21 DG B 12 18.086 3.564 -1.749 1.00 1.16 H new ATOM 0 H22 DG B 12 18.604 2.845 -0.221 1.00 1.16 H new ATOM 2188 P DT B 13 19.852 3.843 -8.756 1.00 1.95 P ATOM 2189 OP1 DT B 13 19.420 4.900 -9.689 1.00 2.17 O ATOM 2190 OP2 DT B 13 21.223 3.318 -8.957 1.00 1.96 O ATOM 2191 O5' DT B 13 19.690 4.344 -7.249 1.00 1.78 O ATOM 2192 C5' DT B 13 18.356 4.528 -6.714 1.00 1.75 C ATOM 2193 C4' DT B 13 18.351 5.688 -5.746 1.00 1.76 C ATOM 2194 O4' DT B 13 18.859 5.223 -4.456 1.00 1.57 O ATOM 2195 C3' DT B 13 19.249 6.872 -6.100 1.00 1.89 C ATOM 2196 O3' DT B 13 18.811 8.082 -5.488 1.00 1.99 O ATOM 2197 C2' DT B 13 20.590 6.469 -5.504 1.00 1.75 C ATOM 2198 C1' DT B 13 20.167 5.719 -4.247 1.00 1.57 C ATOM 2199 N1 DT B 13 21.043 4.564 -3.915 1.00 1.42 N ATOM 2200 C2 DT B 13 21.302 4.334 -2.579 1.00 1.32 C ATOM 2201 O2 DT B 13 20.846 5.029 -1.690 1.00 1.35 O ATOM 2202 N3 DT B 13 22.119 3.251 -2.317 1.00 1.25 N ATOM 2203 C4 DT B 13 22.684 2.405 -3.243 1.00 1.28 C ATOM 2204 O4 DT B 13 23.404 1.466 -2.886 1.00 1.28 O ATOM 2205 C5 DT B 13 22.363 2.726 -4.611 1.00 1.39 C ATOM 2206 C7 DT B 13 22.953 1.826 -5.656 1.00 1.50 C ATOM 2207 C6 DT B 13 21.564 3.771 -4.907 1.00 1.45 C ATOM 0 H5' DT B 13 18.028 3.619 -6.209 1.00 1.75 H new ATOM 0 H5'' DT B 13 17.651 4.715 -7.524 1.00 1.75 H new ATOM 0 H4' DT B 13 17.316 6.031 -5.757 1.00 1.76 H new ATOM 0 H3' DT B 13 19.263 7.066 -7.172 1.00 1.89 H new ATOM 0 H2' DT B 13 21.164 5.837 -6.182 1.00 1.75 H new ATOM 0 H2'' DT B 13 21.210 7.335 -5.273 1.00 1.75 H new ATOM 0 H1' DT B 13 20.231 6.422 -3.417 1.00 1.57 H new ATOM 0 H3 DT B 13 22.324 3.059 -1.336 1.00 1.25 H new ATOM 0 H71 DT B 13 23.903 1.428 -5.299 1.00 1.50 H new ATOM 0 H72 DT B 13 22.267 1.003 -5.857 1.00 1.50 H new ATOM 0 H73 DT B 13 23.119 2.392 -6.573 1.00 1.50 H new ATOM 0 H6 DT B 13 21.331 3.987 -5.939 1.00 1.45 H new ATOM 2220 P DC B 14 19.864 9.249 -5.219 1.00 2.06 P ATOM 2221 OP1 DC B 14 19.191 10.559 -5.321 1.00 2.27 O ATOM 2222 OP2 DC B 14 21.044 9.056 -6.096 1.00 2.07 O ATOM 2223 O5' DC B 14 20.275 8.964 -3.705 1.00 1.90 O ATOM 2224 C5' DC B 14 19.227 8.708 -2.735 1.00 1.87 C ATOM 2225 C4' DC B 14 19.631 9.267 -1.390 1.00 1.89 C ATOM 2226 O4' DC B 14 20.534 8.318 -0.740 1.00 1.72 O ATOM 2227 C3' DC B 14 20.414 10.579 -1.408 1.00 2.02 C ATOM 2228 O3' DC B 14 20.289 11.298 -0.184 1.00 2.12 O ATOM 2229 C2' DC B 14 21.852 10.113 -1.571 1.00 1.90 C ATOM 2230 C1' DC B 14 21.858 8.817 -0.771 1.00 1.74 C ATOM 2231 N1 DC B 14 22.729 7.759 -1.352 1.00 1.60 N ATOM 2232 C2 DC B 14 23.441 6.947 -0.472 1.00 1.52 C ATOM 2233 O2 DC B 14 23.329 7.139 0.744 1.00 1.56 O ATOM 2234 N3 DC B 14 24.241 5.980 -0.983 1.00 1.45 N ATOM 2235 C4 DC B 14 24.342 5.796 -2.305 1.00 1.46 C ATOM 2236 N4 DC B 14 25.134 4.833 -2.749 1.00 1.45 N ATOM 2237 C5 DC B 14 23.624 6.620 -3.228 1.00 1.55 C ATOM 2238 C6 DC B 14 22.825 7.583 -2.695 1.00 1.62 C ATOM 0 H5' DC B 14 19.046 7.636 -2.655 1.00 1.87 H new ATOM 0 H5'' DC B 14 18.294 9.165 -3.064 1.00 1.87 H new ATOM 0 H4' DC B 14 18.681 9.443 -0.886 1.00 1.89 H new ATOM 0 H3' DC B 14 20.061 11.254 -2.188 1.00 2.02 H new ATOM 0 H2' DC B 14 22.111 9.948 -2.617 1.00 1.90 H new ATOM 0 H2'' DC B 14 22.563 10.839 -1.177 1.00 1.90 H new ATOM 0 H1' DC B 14 22.250 9.052 0.218 1.00 1.74 H new ATOM 0 H41 DC B 14 25.228 4.672 -3.752 1.00 1.45 H new ATOM 0 H42 DC B 14 25.650 4.252 -2.088 1.00 1.45 H new ATOM 0 H5 DC B 14 23.712 6.484 -4.296 1.00 1.55 H new ATOM 0 H6 DC B 14 22.255 8.221 -3.354 1.00 1.62 H new ATOM 2250 P DG B 15 21.434 12.323 0.242 1.00 2.21 P ATOM 2251 OP1 DG B 15 20.846 13.434 1.016 1.00 2.40 O ATOM 2252 OP2 DG B 15 22.216 12.709 -0.957 1.00 2.21 O ATOM 2253 O5' DG B 15 22.336 11.414 1.193 1.00 2.07 O ATOM 2254 C5' DG B 15 21.688 10.606 2.207 1.00 2.04 C ATOM 2255 C4' DG B 15 22.571 10.515 3.430 1.00 2.08 C ATOM 2256 O4' DG B 15 23.591 9.492 3.196 1.00 1.93 O ATOM 2257 C3' DG B 15 23.371 11.767 3.783 1.00 2.21 C ATOM 2258 O3' DG B 15 23.729 11.806 5.164 1.00 2.32 O ATOM 2259 C2' DG B 15 24.629 11.614 2.945 1.00 2.10 C ATOM 2260 C1' DG B 15 24.844 10.107 2.964 1.00 1.95 C ATOM 2261 N9 DG B 15 25.391 9.562 1.695 1.00 1.82 N ATOM 2262 C8 DG B 15 25.113 9.931 0.394 1.00 1.80 C ATOM 2263 N7 DG B 15 25.771 9.249 -0.507 1.00 1.72 N ATOM 2264 C5 DG B 15 26.541 8.356 0.241 1.00 1.67 C ATOM 2265 C6 DG B 15 27.451 7.361 -0.181 1.00 1.63 C ATOM 2266 O6 DG B 15 27.783 7.047 -1.324 1.00 1.62 O ATOM 2267 N1 DG B 15 28.016 6.683 0.913 1.00 1.65 N ATOM 2268 C2 DG B 15 27.733 6.945 2.237 1.00 1.72 C ATOM 2269 N2 DG B 15 28.376 6.193 3.138 1.00 1.80 N ATOM 2270 N3 DG B 15 26.869 7.875 2.636 1.00 1.77 N ATOM 2271 C4 DG B 15 26.310 8.540 1.591 1.00 1.73 C ATOM 0 H5' DG B 15 21.488 9.608 1.817 1.00 2.04 H new ATOM 0 H5'' DG B 15 20.726 11.043 2.474 1.00 2.04 H new ATOM 0 H4' DG B 15 21.871 10.316 4.242 1.00 2.08 H new ATOM 0 H3' DG B 15 22.804 12.679 3.594 1.00 2.21 H new ATOM 0 H2' DG B 15 24.493 11.993 1.932 1.00 2.10 H new ATOM 0 H2'' DG B 15 25.474 12.152 3.376 1.00 2.10 H new ATOM 0 HO3' DG B 15 24.241 12.622 5.346 1.00 2.32 H new ATOM 0 H1' DG B 15 25.575 9.898 3.745 1.00 1.95 H new ATOM 0 H8 DG B 15 24.413 10.714 0.142 1.00 1.80 H new ATOM 0 H1 DG B 15 28.686 5.941 0.712 1.00 1.65 H new ATOM 0 H21 DG B 15 28.210 6.337 4.134 1.00 1.80 H new ATOM 0 H22 DG B 15 29.032 5.475 2.829 1.00 1.80 H new TER 2284 DG B 15 ATOM 2285 OP3 DC C 16 35.764 2.523 -1.206 1.00 2.40 O ATOM 2286 P DC C 16 35.260 1.060 -0.826 1.00 2.45 P ATOM 2287 OP1 DC C 16 36.446 0.225 -0.510 1.00 2.66 O ATOM 2288 OP2 DC C 16 34.301 0.614 -1.869 1.00 2.37 O ATOM 2289 O5' DC C 16 34.451 1.309 0.528 1.00 2.36 O ATOM 2290 C5' DC C 16 35.076 1.943 1.671 1.00 2.43 C ATOM 2291 C4' DC C 16 34.166 1.840 2.873 1.00 2.41 C ATOM 2292 O4' DC C 16 33.152 2.892 2.783 1.00 2.24 O ATOM 2293 C3' DC C 16 33.360 0.551 3.006 1.00 2.43 C ATOM 2294 O3' DC C 16 32.972 0.294 4.354 1.00 2.51 O ATOM 2295 C2' DC C 16 32.120 0.839 2.176 1.00 2.22 C ATOM 2296 C1' DC C 16 31.905 2.325 2.432 1.00 2.12 C ATOM 2297 N1 DC C 16 31.386 3.068 1.250 1.00 1.96 N ATOM 2298 C2 DC C 16 30.454 4.079 1.476 1.00 1.85 C ATOM 2299 O2 DC C 16 30.094 4.312 2.636 1.00 1.89 O ATOM 2300 N3 DC C 16 29.968 4.765 0.412 1.00 1.75 N ATOM 2301 C4 DC C 16 30.376 4.485 -0.832 1.00 1.76 C ATOM 2302 N4 DC C 16 29.871 5.189 -1.832 1.00 1.72 N ATOM 2303 C5 DC C 16 31.328 3.450 -1.088 1.00 1.88 C ATOM 2304 C6 DC C 16 31.806 2.775 -0.007 1.00 1.97 C ATOM 0 H5' DC C 16 35.284 2.990 1.449 1.00 2.43 H new ATOM 0 H5'' DC C 16 36.032 1.466 1.885 1.00 2.43 H new ATOM 0 H4' DC C 16 34.848 1.904 3.721 1.00 2.41 H new ATOM 0 H3' DC C 16 33.932 -0.321 2.688 1.00 2.43 H new ATOM 0 H2' DC C 16 32.278 0.626 1.119 1.00 2.22 H new ATOM 0 H2'' DC C 16 31.266 0.242 2.497 1.00 2.22 H new ATOM 0 H1' DC C 16 31.158 2.409 3.222 1.00 2.12 H new ATOM 0 H41 DC C 16 30.164 4.997 -2.790 1.00 1.72 H new ATOM 0 H42 DC C 16 29.189 5.924 -1.645 1.00 1.72 H new ATOM 0 H5 DC C 16 31.652 3.215 -2.091 1.00 1.88 H new ATOM 0 H6 DC C 16 32.534 1.991 -0.152 1.00 1.97 H new ATOM 2317 P DG C 17 31.685 -0.602 4.641 1.00 2.47 P ATOM 2318 OP1 DG C 17 31.869 -1.348 5.901 1.00 2.67 O ATOM 2319 OP2 DG C 17 31.381 -1.419 3.442 1.00 2.40 O ATOM 2320 O5' DG C 17 30.558 0.512 4.824 1.00 2.30 O ATOM 2321 C5' DG C 17 30.836 1.653 5.673 1.00 2.35 C ATOM 2322 C4' DG C 17 29.571 2.090 6.373 1.00 2.31 C ATOM 2323 O4' DG C 17 28.783 2.906 5.449 1.00 2.11 O ATOM 2324 C3' DG C 17 28.615 0.979 6.803 1.00 2.34 C ATOM 2325 O3' DG C 17 27.769 1.381 7.877 1.00 2.42 O ATOM 2326 C2' DG C 17 27.771 0.758 5.557 1.00 2.12 C ATOM 2327 C1' DG C 17 27.666 2.168 4.990 1.00 1.99 C ATOM 2328 N9 DG C 17 27.668 2.220 3.504 1.00 1.83 N ATOM 2329 C8 DG C 17 28.384 1.453 2.605 1.00 1.83 C ATOM 2330 N7 DG C 17 28.153 1.750 1.352 1.00 1.71 N ATOM 2331 C5 DG C 17 27.223 2.790 1.414 1.00 1.61 C ATOM 2332 C6 DG C 17 26.603 3.522 0.377 1.00 1.50 C ATOM 2333 O6 DG C 17 26.742 3.412 -0.841 1.00 1.48 O ATOM 2334 N1 DG C 17 25.720 4.489 0.889 1.00 1.48 N ATOM 2335 C2 DG C 17 25.472 4.706 2.229 1.00 1.57 C ATOM 2336 N2 DG C 17 24.594 5.671 2.517 1.00 1.60 N ATOM 2337 N3 DG C 17 26.062 4.022 3.207 1.00 1.67 N ATOM 2338 C4 DG C 17 26.923 3.082 2.733 1.00 1.68 C ATOM 0 H5' DG C 17 31.234 2.474 5.076 1.00 2.35 H new ATOM 0 H5'' DG C 17 31.598 1.394 6.408 1.00 2.35 H new ATOM 0 H4' DG C 17 29.931 2.596 7.269 1.00 2.31 H new ATOM 0 H3' DG C 17 29.148 0.097 7.157 1.00 2.34 H new ATOM 0 H2' DG C 17 28.248 0.072 4.858 1.00 2.12 H new ATOM 0 H2'' DG C 17 26.793 0.341 5.796 1.00 2.12 H new ATOM 0 H1' DG C 17 26.713 2.577 5.326 1.00 1.99 H new ATOM 0 H8 DG C 17 29.072 0.678 2.909 1.00 1.83 H new ATOM 0 H1 DG C 17 25.224 5.076 0.218 1.00 1.48 H new ATOM 0 H21 DG C 17 24.367 5.881 3.489 1.00 1.60 H new ATOM 0 H22 DG C 17 24.151 6.198 1.765 1.00 1.60 H new ATOM 2350 P DA C 18 26.361 0.660 8.075 1.00 2.38 P ATOM 2351 OP1 DA C 18 26.017 0.626 9.511 1.00 2.59 O ATOM 2352 OP2 DA C 18 26.379 -0.650 7.382 1.00 2.33 O ATOM 2353 O5' DA C 18 25.383 1.657 7.304 1.00 2.18 O ATOM 2354 C5' DA C 18 25.498 3.081 7.554 1.00 2.21 C ATOM 2355 C4' DA C 18 24.135 3.725 7.470 1.00 2.15 C ATOM 2356 O4' DA C 18 23.808 3.949 6.061 1.00 1.93 O ATOM 2357 C3' DA C 18 22.962 2.906 8.002 1.00 2.19 C ATOM 2358 O3' DA C 18 21.860 3.725 8.385 1.00 2.25 O ATOM 2359 C2' DA C 18 22.564 2.063 6.800 1.00 1.97 C ATOM 2360 C1' DA C 18 22.830 3.017 5.643 1.00 1.82 C ATOM 2361 N9 DA C 18 23.336 2.345 4.415 1.00 1.66 N ATOM 2362 C8 DA C 18 24.205 1.291 4.325 1.00 1.69 C ATOM 2363 N7 DA C 18 24.460 0.932 3.102 1.00 1.57 N ATOM 2364 C5 DA C 18 23.700 1.799 2.338 1.00 1.44 C ATOM 2365 C6 DA C 18 23.532 1.940 0.944 1.00 1.32 C ATOM 2366 N6 DA C 18 24.149 1.153 0.047 1.00 1.32 N ATOM 2367 N1 DA C 18 22.711 2.909 0.516 1.00 1.27 N ATOM 2368 C2 DA C 18 22.103 3.680 1.412 1.00 1.35 C ATOM 2369 N3 DA C 18 22.181 3.657 2.725 1.00 1.46 N ATOM 2370 C4 DA C 18 23.012 2.676 3.125 1.00 1.49 C ATOM 0 H5' DA C 18 26.170 3.535 6.826 1.00 2.21 H new ATOM 0 H5'' DA C 18 25.932 3.253 8.539 1.00 2.21 H new ATOM 0 H4' DA C 18 24.233 4.619 8.086 1.00 2.15 H new ATOM 0 H3' DA C 18 23.234 2.337 8.891 1.00 2.19 H new ATOM 0 H2' DA C 18 23.160 1.153 6.724 1.00 1.97 H new ATOM 0 H2'' DA C 18 21.519 1.757 6.844 1.00 1.97 H new ATOM 0 H1' DA C 18 21.878 3.482 5.387 1.00 1.82 H new ATOM 0 H8 DA C 18 24.637 0.805 5.187 1.00 1.69 H new ATOM 0 H61 DA C 18 23.993 1.297 -0.951 1.00 1.32 H new ATOM 0 H62 DA C 18 24.773 0.411 0.364 1.00 1.32 H new ATOM 0 H2 DA C 18 21.449 4.436 1.002 1.00 1.35 H new ATOM 2382 P DC C 19 20.391 3.108 8.387 1.00 2.21 P ATOM 2383 OP1 DC C 19 19.582 3.749 9.445 1.00 2.41 O ATOM 2384 OP2 DC C 19 20.479 1.630 8.446 1.00 2.18 O ATOM 2385 O5' DC C 19 19.858 3.550 6.951 1.00 2.00 O ATOM 2386 C5' DC C 19 20.056 4.922 6.525 1.00 2.01 C ATOM 2387 C4' DC C 19 18.889 5.368 5.674 1.00 1.95 C ATOM 2388 O4' DC C 19 19.085 4.864 4.313 1.00 1.73 O ATOM 2389 C3' DC C 19 17.515 4.837 6.078 1.00 1.99 C ATOM 2390 O3' DC C 19 16.457 5.674 5.612 1.00 2.05 O ATOM 2391 C2' DC C 19 17.444 3.499 5.357 1.00 1.78 C ATOM 2392 C1' DC C 19 18.197 3.791 4.065 1.00 1.62 C ATOM 2393 N1 DC C 19 18.999 2.644 3.568 1.00 1.46 N ATOM 2394 C2 DC C 19 19.057 2.436 2.191 1.00 1.30 C ATOM 2395 O2 DC C 19 18.440 3.207 1.444 1.00 1.30 O ATOM 2396 N3 DC C 19 19.783 1.394 1.717 1.00 1.20 N ATOM 2397 C4 DC C 19 20.439 0.579 2.552 1.00 1.28 C ATOM 2398 N4 DC C 19 21.137 -0.422 2.034 1.00 1.26 N ATOM 2399 C5 DC C 19 20.392 0.767 3.968 1.00 1.46 C ATOM 2400 C6 DC C 19 19.662 1.820 4.422 1.00 1.54 C ATOM 0 H5' DC C 19 20.984 5.006 5.959 1.00 2.01 H new ATOM 0 H5'' DC C 19 20.153 5.572 7.395 1.00 2.01 H new ATOM 0 H4' DC C 19 18.882 6.452 5.786 1.00 1.95 H new ATOM 0 H3' DC C 19 17.402 4.781 7.161 1.00 1.99 H new ATOM 0 H2' DC C 19 17.915 2.701 5.931 1.00 1.78 H new ATOM 0 H2'' DC C 19 16.415 3.192 5.169 1.00 1.78 H new ATOM 0 H1' DC C 19 17.452 4.018 3.303 1.00 1.62 H new ATOM 0 H41 DC C 19 21.647 -1.059 2.646 1.00 1.26 H new ATOM 0 H42 DC C 19 21.164 -0.555 1.023 1.00 1.26 H new ATOM 0 H5 DC C 19 20.911 0.105 4.645 1.00 1.46 H new ATOM 0 H6 DC C 19 19.608 2.006 5.484 1.00 1.54 H new ATOM 2412 P DG C 20 15.008 5.051 5.385 1.00 2.03 P ATOM 2413 OP1 DG C 20 13.977 6.072 5.656 1.00 2.23 O ATOM 2414 OP2 DG C 20 14.891 3.791 6.160 1.00 2.01 O ATOM 2415 O5' DG C 20 15.047 4.716 3.828 1.00 1.81 O ATOM 2416 C5' DG C 20 15.543 5.721 2.909 1.00 1.82 C ATOM 2417 C4' DG C 20 14.795 5.631 1.600 1.00 1.77 C ATOM 2418 O4' DG C 20 15.372 4.549 0.804 1.00 1.54 O ATOM 2419 C3' DG C 20 13.312 5.283 1.690 1.00 1.83 C ATOM 2420 O3' DG C 20 12.582 5.730 0.550 1.00 1.90 O ATOM 2421 C2' DG C 20 13.321 3.762 1.712 1.00 1.62 C ATOM 2422 C1' DG C 20 14.494 3.439 0.795 1.00 1.45 C ATOM 2423 N9 DG C 20 15.273 2.242 1.213 1.00 1.28 N ATOM 2424 C8 DG C 20 15.596 1.811 2.482 1.00 1.33 C ATOM 2425 N7 DG C 20 16.295 0.706 2.509 1.00 1.22 N ATOM 2426 C5 DG C 20 16.454 0.374 1.161 1.00 1.05 C ATOM 2427 C6 DG C 20 17.123 -0.717 0.564 1.00 0.94 C ATOM 2428 O6 DG C 20 17.732 -1.642 1.100 1.00 0.97 O ATOM 2429 N1 DG C 20 17.034 -0.668 -0.839 1.00 0.87 N ATOM 2430 C2 DG C 20 16.377 0.307 -1.558 1.00 0.95 C ATOM 2431 N2 DG C 20 16.399 0.178 -2.888 1.00 0.99 N ATOM 2432 N3 DG C 20 15.753 1.339 -0.995 1.00 1.07 N ATOM 2433 C4 DG C 20 15.828 1.313 0.362 1.00 1.10 C ATOM 0 H5' DG C 20 16.610 5.577 2.739 1.00 1.82 H new ATOM 0 H5'' DG C 20 15.420 6.714 3.341 1.00 1.82 H new ATOM 0 H4' DG C 20 14.885 6.633 1.180 1.00 1.77 H new ATOM 0 H3' DG C 20 12.836 5.751 2.552 1.00 1.83 H new ATOM 0 H2' DG C 20 13.469 3.369 2.718 1.00 1.62 H new ATOM 0 H2'' DG C 20 12.386 3.343 1.341 1.00 1.62 H new ATOM 0 H1' DG C 20 14.080 3.226 -0.190 1.00 1.45 H new ATOM 0 H8 DG C 20 15.298 2.339 3.375 1.00 1.33 H new ATOM 0 H1 DG C 20 17.492 -1.412 -1.365 1.00 0.87 H new ATOM 0 H21 DG C 20 15.930 0.868 -3.475 1.00 0.99 H new ATOM 0 H22 DG C 20 16.884 -0.610 -3.316 1.00 0.99 H new ATOM 2445 P DT C 21 11.227 4.992 0.147 1.00 1.90 P ATOM 2446 OP1 DT C 21 10.300 5.956 -0.478 1.00 2.12 O ATOM 2447 OP2 DT C 21 10.705 4.255 1.323 1.00 1.88 O ATOM 2448 O5' DT C 21 11.747 3.949 -0.943 1.00 1.69 O ATOM 2449 C5' DT C 21 12.642 4.415 -1.984 1.00 1.70 C ATOM 2450 C4' DT C 21 12.371 3.662 -3.266 1.00 1.66 C ATOM 2451 O4' DT C 21 13.045 2.366 -3.198 1.00 1.42 O ATOM 2452 C3' DT C 21 10.912 3.314 -3.552 1.00 1.74 C ATOM 2453 O3' DT C 21 10.668 3.114 -4.943 1.00 1.83 O ATOM 2454 C2' DT C 21 10.728 1.995 -2.818 1.00 1.53 C ATOM 2455 C1' DT C 21 12.091 1.341 -2.996 1.00 1.33 C ATOM 2456 N1 DT C 21 12.530 0.538 -1.820 1.00 1.14 N ATOM 2457 C2 DT C 21 13.210 -0.634 -2.074 1.00 0.96 C ATOM 2458 O2 DT C 21 13.456 -1.022 -3.203 1.00 0.97 O ATOM 2459 N3 DT C 21 13.599 -1.343 -0.955 1.00 0.84 N ATOM 2460 C4 DT C 21 13.371 -0.997 0.356 1.00 0.94 C ATOM 2461 O4 DT C 21 13.768 -1.718 1.280 1.00 0.94 O ATOM 2462 C5 DT C 21 12.649 0.241 0.524 1.00 1.13 C ATOM 2463 C7 DT C 21 12.385 0.662 1.940 1.00 1.30 C ATOM 2464 C6 DT C 21 12.260 0.964 -0.543 1.00 1.22 C ATOM 0 H5' DT C 21 13.678 4.269 -1.678 1.00 1.70 H new ATOM 0 H5'' DT C 21 12.504 5.484 -2.143 1.00 1.70 H new ATOM 0 H4' DT C 21 12.718 4.340 -4.045 1.00 1.66 H new ATOM 0 H3' DT C 21 10.235 4.110 -3.241 1.00 1.74 H new ATOM 0 H2' DT C 21 10.481 2.144 -1.767 1.00 1.53 H new ATOM 0 H2'' DT C 21 9.928 1.395 -3.251 1.00 1.53 H new ATOM 0 H1' DT C 21 12.009 0.659 -3.842 1.00 1.33 H new ATOM 0 H3 DT C 21 14.107 -2.212 -1.117 1.00 0.84 H new ATOM 0 H71 DT C 21 12.346 1.750 1.995 1.00 1.30 H new ATOM 0 H72 DT C 21 11.433 0.248 2.271 1.00 1.30 H new ATOM 0 H73 DT C 21 13.184 0.295 2.584 1.00 1.30 H new ATOM 0 H6 DT C 21 11.728 1.892 -0.392 1.00 1.22 H new ATOM 2477 P DT C 22 9.447 2.194 -5.400 1.00 1.85 P ATOM 2478 OP1 DT C 22 8.909 2.683 -6.684 1.00 2.09 O ATOM 2479 OP2 DT C 22 8.475 2.087 -4.287 1.00 1.83 O ATOM 2480 O5' DT C 22 10.171 0.789 -5.610 1.00 1.63 O ATOM 2481 C5' DT C 22 11.413 0.747 -6.356 1.00 1.63 C ATOM 2482 C4' DT C 22 11.498 -0.545 -7.135 1.00 1.59 C ATOM 2483 O4' DT C 22 11.946 -1.606 -6.235 1.00 1.34 O ATOM 2484 C3' DT C 22 10.188 -1.071 -7.717 1.00 1.69 C ATOM 2485 O3' DT C 22 10.403 -1.930 -8.836 1.00 1.79 O ATOM 2486 C2' DT C 22 9.610 -1.882 -6.571 1.00 1.48 C ATOM 2487 C1' DT C 22 10.862 -2.461 -5.925 1.00 1.26 C ATOM 2488 N1 DT C 22 10.780 -2.570 -4.444 1.00 1.06 N ATOM 2489 C2 DT C 22 11.356 -3.677 -3.857 1.00 0.86 C ATOM 2490 O2 DT C 22 11.917 -4.545 -4.503 1.00 0.87 O ATOM 2491 N3 DT C 22 11.256 -3.737 -2.484 1.00 0.72 N ATOM 2492 C4 DT C 22 10.645 -2.815 -1.662 1.00 0.82 C ATOM 2493 O4 DT C 22 10.618 -2.977 -0.438 1.00 0.82 O ATOM 2494 C5 DT C 22 10.066 -1.694 -2.363 1.00 1.04 C ATOM 2495 C7 DT C 22 9.397 -0.661 -1.508 1.00 1.21 C ATOM 2496 C6 DT C 22 10.149 -1.599 -3.704 1.00 1.13 C ATOM 0 H5' DT C 22 12.260 0.828 -5.675 1.00 1.63 H new ATOM 0 H5'' DT C 22 11.468 1.597 -7.036 1.00 1.63 H new ATOM 0 H4' DT C 22 12.168 -0.308 -7.962 1.00 1.59 H new ATOM 0 H3' DT C 22 9.548 -0.264 -8.075 1.00 1.69 H new ATOM 0 H2' DT C 22 9.044 -1.261 -5.877 1.00 1.48 H new ATOM 0 H2'' DT C 22 8.935 -2.662 -6.924 1.00 1.48 H new ATOM 0 H1' DT C 22 10.985 -3.471 -6.316 1.00 1.26 H new ATOM 0 H3 DT C 22 11.677 -4.547 -2.029 1.00 0.72 H new ATOM 0 H71 DT C 22 8.994 -1.135 -0.613 1.00 1.21 H new ATOM 0 H72 DT C 22 10.123 0.099 -1.220 1.00 1.21 H new ATOM 0 H73 DT C 22 8.586 -0.195 -2.068 1.00 1.21 H new ATOM 0 H6 DT C 22 9.713 -0.747 -4.205 1.00 1.13 H new ATOM 2509 P DA C 23 9.303 -3.026 -9.204 1.00 1.82 P ATOM 2510 OP1 DA C 23 9.292 -3.248 -10.663 1.00 2.06 O ATOM 2511 OP2 DA C 23 8.008 -2.640 -8.596 1.00 1.81 O ATOM 2512 O5' DA C 23 9.877 -4.314 -8.460 1.00 1.58 O ATOM 2513 C5' DA C 23 11.283 -4.637 -8.607 1.00 1.56 C ATOM 2514 C4' DA C 23 11.465 -6.136 -8.603 1.00 1.53 C ATOM 2515 O4' DA C 23 11.452 -6.605 -7.216 1.00 1.27 O ATOM 2516 C3' DA C 23 10.374 -6.955 -9.287 1.00 1.64 C ATOM 2517 O3' DA C 23 10.845 -8.231 -9.714 1.00 1.73 O ATOM 2518 C2' DA C 23 9.348 -7.144 -8.181 1.00 1.44 C ATOM 2519 C1' DA C 23 10.231 -7.267 -6.947 1.00 1.21 C ATOM 2520 N9 DA C 23 9.643 -6.652 -5.726 1.00 1.01 N ATOM 2521 C8 DA C 23 8.903 -5.504 -5.626 1.00 1.06 C ATOM 2522 N7 DA C 23 8.534 -5.228 -4.410 1.00 0.92 N ATOM 2523 C5 DA C 23 9.053 -6.270 -3.662 1.00 0.72 C ATOM 2524 C6 DA C 23 9.011 -6.564 -2.282 1.00 0.57 C ATOM 2525 N6 DA C 23 8.376 -5.788 -1.387 1.00 0.64 N ATOM 2526 N1 DA C 23 9.638 -7.674 -1.869 1.00 0.51 N ATOM 2527 C2 DA C 23 10.260 -8.433 -2.763 1.00 0.61 C ATOM 2528 N3 DA C 23 10.379 -8.268 -4.063 1.00 0.75 N ATOM 2529 C4 DA C 23 9.741 -7.149 -4.450 1.00 0.79 C ATOM 0 H5' DA C 23 11.856 -4.190 -7.795 1.00 1.56 H new ATOM 0 H5'' DA C 23 11.667 -4.217 -9.537 1.00 1.56 H new ATOM 0 H4' DA C 23 12.396 -6.286 -9.150 1.00 1.53 H new ATOM 0 H3' DA C 23 9.995 -6.462 -10.182 1.00 1.64 H new ATOM 0 H2' DA C 23 8.664 -6.298 -8.110 1.00 1.44 H new ATOM 0 H2'' DA C 23 8.739 -8.034 -8.337 1.00 1.44 H new ATOM 0 H1' DA C 23 10.355 -8.331 -6.748 1.00 1.21 H new ATOM 0 H8 DA C 23 8.650 -4.887 -6.476 1.00 1.06 H new ATOM 0 H61 DA C 23 8.375 -6.044 -0.400 1.00 0.64 H new ATOM 0 H62 DA C 23 7.895 -4.943 -1.695 1.00 0.64 H new ATOM 0 H2 DA C 23 10.739 -9.315 -2.365 1.00 0.61 H new ATOM 2541 P DT C 24 9.807 -9.430 -9.885 1.00 1.76 P ATOM 2542 OP1 DT C 24 10.259 -10.329 -10.968 1.00 2.00 O ATOM 2543 OP2 DT C 24 8.440 -8.876 -10.030 1.00 1.77 O ATOM 2544 O5' DT C 24 9.935 -10.166 -8.476 1.00 1.53 O ATOM 2545 C5' DT C 24 11.258 -10.436 -7.947 1.00 1.51 C ATOM 2546 C4' DT C 24 11.243 -11.736 -7.176 1.00 1.48 C ATOM 2547 O4' DT C 24 10.707 -11.479 -5.839 1.00 1.23 O ATOM 2548 C3' DT C 24 10.353 -12.845 -7.733 1.00 1.60 C ATOM 2549 O3' DT C 24 10.778 -14.138 -7.312 1.00 1.69 O ATOM 2550 C2' DT C 24 9.000 -12.538 -7.108 1.00 1.40 C ATOM 2551 C1' DT C 24 9.394 -11.998 -5.741 1.00 1.18 C ATOM 2552 N1 DT C 24 8.511 -10.909 -5.247 1.00 0.99 N ATOM 2553 C2 DT C 24 8.222 -10.891 -3.899 1.00 0.79 C ATOM 2554 O2 DT C 24 8.659 -11.721 -3.119 1.00 0.82 O ATOM 2555 N3 DT C 24 7.400 -9.862 -3.485 1.00 0.67 N ATOM 2556 C4 DT C 24 6.852 -8.879 -4.276 1.00 0.77 C ATOM 2557 O4 DT C 24 6.125 -8.005 -3.789 1.00 0.78 O ATOM 2558 C5 DT C 24 7.205 -8.978 -5.672 1.00 0.99 C ATOM 2559 C7 DT C 24 6.638 -7.923 -6.572 1.00 1.18 C ATOM 2560 C6 DT C 24 8.011 -9.967 -6.112 1.00 1.07 C ATOM 0 H5' DT C 24 11.574 -9.620 -7.297 1.00 1.51 H new ATOM 0 H5'' DT C 24 11.981 -10.493 -8.761 1.00 1.51 H new ATOM 0 H4' DT C 24 12.277 -12.077 -7.219 1.00 1.48 H new ATOM 0 H3' DT C 24 10.361 -12.866 -8.823 1.00 1.60 H new ATOM 0 H2' DT C 24 8.440 -11.806 -7.689 1.00 1.40 H new ATOM 0 H2'' DT C 24 8.376 -13.428 -7.030 1.00 1.40 H new ATOM 0 H1' DT C 24 9.311 -12.825 -5.036 1.00 1.18 H new ATOM 0 H3 DT C 24 7.176 -9.827 -2.491 1.00 0.67 H new ATOM 0 H71 DT C 24 5.680 -7.585 -6.178 1.00 1.18 H new ATOM 0 H72 DT C 24 7.327 -7.080 -6.623 1.00 1.18 H new ATOM 0 H73 DT C 24 6.494 -8.335 -7.571 1.00 1.18 H new ATOM 0 H6 DT C 24 8.267 -10.018 -7.160 1.00 1.07 H new ATOM 2573 P DA C 25 9.721 -15.330 -7.254 1.00 1.73 P ATOM 2574 OP1 DA C 25 10.396 -16.610 -7.548 1.00 1.96 O ATOM 2575 OP2 DA C 25 8.560 -14.996 -8.113 1.00 1.74 O ATOM 2576 O5' DA C 25 9.277 -15.287 -5.723 1.00 1.52 O ATOM 2577 C5' DA C 25 10.302 -15.192 -4.701 1.00 1.50 C ATOM 2578 C4' DA C 25 9.868 -15.957 -3.472 1.00 1.49 C ATOM 2579 O4' DA C 25 8.951 -15.121 -2.698 1.00 1.26 O ATOM 2580 C3' DA C 25 9.089 -17.247 -3.714 1.00 1.62 C ATOM 2581 O3' DA C 25 9.187 -18.151 -2.618 1.00 1.72 O ATOM 2582 C2' DA C 25 7.654 -16.758 -3.833 1.00 1.43 C ATOM 2583 C1' DA C 25 7.630 -15.604 -2.838 1.00 1.22 C ATOM 2584 N9 DA C 25 6.771 -14.465 -3.262 1.00 1.02 N ATOM 2585 C8 DA C 25 6.593 -13.961 -4.522 1.00 1.06 C ATOM 2586 N7 DA C 25 5.777 -12.950 -4.568 1.00 0.94 N ATOM 2587 C5 DA C 25 5.382 -12.784 -3.252 1.00 0.78 C ATOM 2588 C6 DA C 25 4.513 -11.864 -2.629 1.00 0.68 C ATOM 2589 N6 DA C 25 3.855 -10.907 -3.303 1.00 0.74 N ATOM 2590 N1 DA C 25 4.351 -11.969 -1.303 1.00 0.65 N ATOM 2591 C2 DA C 25 5.009 -12.921 -0.646 1.00 0.74 C ATOM 2592 N3 DA C 25 5.844 -13.827 -1.106 1.00 0.84 N ATOM 2593 C4 DA C 25 5.988 -13.697 -2.436 1.00 0.85 C ATOM 0 H5' DA C 25 10.480 -14.147 -4.447 1.00 1.50 H new ATOM 0 H5'' DA C 25 11.243 -15.593 -5.078 1.00 1.50 H new ATOM 0 H4' DA C 25 10.808 -16.214 -2.983 1.00 1.49 H new ATOM 0 H3' DA C 25 9.461 -17.791 -4.582 1.00 1.62 H new ATOM 0 H2' DA C 25 7.417 -16.429 -4.845 1.00 1.43 H new ATOM 0 H2'' DA C 25 6.935 -17.535 -3.574 1.00 1.43 H new ATOM 0 H1' DA C 25 7.216 -15.992 -1.907 1.00 1.22 H new ATOM 0 H8 DA C 25 7.084 -14.365 -5.395 1.00 1.06 H new ATOM 0 H61 DA C 25 3.237 -10.266 -2.805 1.00 0.74 H new ATOM 0 H62 DA C 25 3.973 -10.821 -4.313 1.00 0.74 H new ATOM 0 H2 DA C 25 4.832 -12.954 0.419 1.00 0.74 H new ATOM 2605 P DT C 26 8.033 -19.228 -2.384 1.00 1.77 P ATOM 2606 OP1 DT C 26 8.605 -20.450 -1.785 1.00 2.01 O ATOM 2607 OP2 DT C 26 7.278 -19.416 -3.647 1.00 1.77 O ATOM 2608 O5' DT C 26 7.109 -18.478 -1.322 1.00 1.58 O ATOM 2609 C5' DT C 26 7.736 -17.844 -0.178 1.00 1.57 C ATOM 2610 C4' DT C 26 6.826 -17.946 1.023 1.00 1.58 C ATOM 2611 O4' DT C 26 5.811 -16.895 0.934 1.00 1.35 O ATOM 2612 C3' DT C 26 6.020 -19.236 1.157 1.00 1.70 C ATOM 2613 O3' DT C 26 5.633 -19.493 2.504 1.00 1.82 O ATOM 2614 C2' DT C 26 4.780 -18.947 0.326 1.00 1.52 C ATOM 2615 C1' DT C 26 4.563 -17.461 0.581 1.00 1.32 C ATOM 2616 N1 DT C 26 4.045 -16.720 -0.599 1.00 1.13 N ATOM 2617 C2 DT C 26 3.123 -15.722 -0.360 1.00 0.98 C ATOM 2618 O2 DT C 26 2.730 -15.439 0.757 1.00 1.02 O ATOM 2619 N3 DT C 26 2.668 -15.060 -1.484 1.00 0.87 N ATOM 2620 C4 DT C 26 3.043 -15.301 -2.786 1.00 0.92 C ATOM 2621 O4 DT C 26 2.564 -14.637 -3.715 1.00 0.93 O ATOM 2622 C5 DT C 26 4.007 -16.363 -2.938 1.00 1.08 C ATOM 2623 C7 DT C 26 4.450 -16.654 -4.341 1.00 1.23 C ATOM 2624 C6 DT C 26 4.477 -17.028 -1.864 1.00 1.17 C ATOM 0 H5' DT C 26 7.946 -16.798 -0.400 1.00 1.57 H new ATOM 0 H5'' DT C 26 8.692 -18.322 0.036 1.00 1.57 H new ATOM 0 H4' DT C 26 7.508 -17.881 1.870 1.00 1.58 H new ATOM 0 H3' DT C 26 6.591 -20.108 0.839 1.00 1.70 H new ATOM 0 H2' DT C 26 4.939 -19.160 -0.731 1.00 1.52 H new ATOM 0 H2'' DT C 26 3.926 -19.544 0.646 1.00 1.52 H new ATOM 0 H1' DT C 26 3.815 -17.376 1.369 1.00 1.32 H new ATOM 0 H3 DT C 26 1.985 -14.317 -1.334 1.00 0.87 H new ATOM 0 H71 DT C 26 3.642 -16.419 -5.034 1.00 1.23 H new ATOM 0 H72 DT C 26 5.322 -16.045 -4.581 1.00 1.23 H new ATOM 0 H73 DT C 26 4.709 -17.709 -4.429 1.00 1.23 H new ATOM 0 H6 DT C 26 5.204 -17.815 -2.001 1.00 1.17 H new ATOM 2637 P DT C 27 4.344 -20.388 2.792 1.00 1.88 P ATOM 2638 OP1 DT C 27 4.529 -21.134 4.052 1.00 2.12 O ATOM 2639 OP2 DT C 27 4.041 -21.205 1.592 1.00 1.87 O ATOM 2640 O5' DT C 27 3.216 -19.275 2.975 1.00 1.69 O ATOM 2641 C5' DT C 27 3.496 -18.132 3.824 1.00 1.68 C ATOM 2642 C4' DT C 27 2.230 -17.697 4.524 1.00 1.69 C ATOM 2643 O4' DT C 27 1.443 -16.881 3.600 1.00 1.47 O ATOM 2644 C3' DT C 27 1.274 -18.808 4.953 1.00 1.82 C ATOM 2645 O3' DT C 27 0.429 -18.406 6.028 1.00 1.93 O ATOM 2646 C2' DT C 27 0.430 -19.027 3.708 1.00 1.65 C ATOM 2647 C1' DT C 27 0.326 -17.617 3.142 1.00 1.45 C ATOM 2648 N1 DT C 27 0.328 -17.567 1.654 1.00 1.27 N ATOM 2649 C2 DT C 27 -0.492 -16.636 1.052 1.00 1.14 C ATOM 2650 O2 DT C 27 -1.198 -15.873 1.689 1.00 1.18 O ATOM 2651 N3 DT C 27 -0.456 -16.623 -0.327 1.00 1.03 N ATOM 2652 C4 DT C 27 0.300 -17.439 -1.137 1.00 1.07 C ATOM 2653 O4 DT C 27 0.246 -17.336 -2.367 1.00 1.06 O ATOM 2654 C5 DT C 27 1.122 -18.385 -0.421 1.00 1.21 C ATOM 2655 C7 DT C 27 1.968 -19.290 -1.264 1.00 1.33 C ATOM 2656 C6 DT C 27 1.119 -18.421 0.926 1.00 1.30 C ATOM 0 H5' DT C 27 3.893 -17.311 3.227 1.00 1.68 H new ATOM 0 H5'' DT C 27 4.259 -18.390 4.558 1.00 1.68 H new ATOM 0 H4' DT C 27 2.589 -17.193 5.421 1.00 1.69 H new ATOM 0 H3' DT C 27 1.807 -19.691 5.306 1.00 1.82 H new ATOM 0 H2' DT C 27 0.906 -19.713 3.008 1.00 1.65 H new ATOM 0 H2'' DT C 27 -0.548 -19.444 3.947 1.00 1.65 H new ATOM 0 H1' DT C 27 -0.626 -17.205 3.478 1.00 1.45 H new ATOM 0 H3 DT C 27 -1.051 -15.938 -0.794 1.00 1.03 H new ATOM 0 H71 DT C 27 1.473 -19.466 -2.219 1.00 1.33 H new ATOM 0 H72 DT C 27 2.937 -18.823 -1.439 1.00 1.33 H new ATOM 0 H73 DT C 27 2.110 -20.240 -0.748 1.00 1.33 H new ATOM 0 H6 DT C 27 1.748 -19.132 1.441 1.00 1.30 H new ATOM 2669 P DG C 28 -0.980 -19.126 6.225 1.00 1.99 P ATOM 2670 OP1 DG C 28 -1.324 -19.160 7.662 1.00 2.23 O ATOM 2671 OP2 DG C 28 -0.962 -20.436 5.532 1.00 1.99 O ATOM 2672 O5' DG C 28 -1.958 -18.130 5.456 1.00 1.81 O ATOM 2673 C5' DG C 28 -1.842 -16.706 5.705 1.00 1.79 C ATOM 2674 C4' DG C 28 -3.206 -16.062 5.620 1.00 1.80 C ATOM 2675 O4' DG C 28 -3.532 -15.838 4.212 1.00 1.60 O ATOM 2676 C3' DG C 28 -4.380 -16.882 6.153 1.00 1.93 C ATOM 2677 O3' DG C 28 -5.481 -16.062 6.536 1.00 2.04 O ATOM 2678 C2' DG C 28 -4.777 -17.723 4.950 1.00 1.78 C ATOM 2679 C1' DG C 28 -4.511 -16.768 3.793 1.00 1.59 C ATOM 2680 N9 DG C 28 -4.004 -17.442 2.567 1.00 1.43 N ATOM 2681 C8 DG C 28 -3.129 -18.501 2.449 1.00 1.44 C ATOM 2682 N7 DG C 28 -2.885 -18.860 1.216 1.00 1.33 N ATOM 2683 C5 DG C 28 -3.648 -17.975 0.450 1.00 1.24 C ATOM 2684 C6 DG C 28 -3.791 -17.869 -0.952 1.00 1.17 C ATOM 2685 O6 DG C 28 -3.266 -18.544 -1.837 1.00 1.18 O ATOM 2686 N1 DG C 28 -4.669 -16.828 -1.304 1.00 1.19 N ATOM 2687 C2 DG C 28 -5.321 -16.008 -0.407 1.00 1.27 C ATOM 2688 N2 DG C 28 -6.120 -15.077 -0.935 1.00 1.35 N ATOM 2689 N3 DG C 28 -5.182 -16.102 0.913 1.00 1.33 N ATOM 2690 C4 DG C 28 -4.335 -17.102 1.275 1.00 1.31 C ATOM 0 H5' DG C 28 -1.169 -16.253 4.977 1.00 1.79 H new ATOM 0 H5'' DG C 28 -1.408 -16.533 6.690 1.00 1.79 H new ATOM 0 H4' DG C 28 -3.108 -15.168 6.236 1.00 1.80 H new ATOM 0 H3' DG C 28 -4.109 -17.452 7.042 1.00 1.93 H new ATOM 0 H2' DG C 28 -4.181 -18.632 4.874 1.00 1.78 H new ATOM 0 H2'' DG C 28 -5.822 -18.030 4.994 1.00 1.78 H new ATOM 0 H1' DG C 28 -5.462 -16.301 3.536 1.00 1.59 H new ATOM 0 H8 DG C 28 -2.684 -18.992 3.302 1.00 1.44 H new ATOM 0 H1 DG C 28 -4.836 -16.667 -2.297 1.00 1.19 H new ATOM 0 H21 DG C 28 -6.631 -14.438 -0.326 1.00 1.35 H new ATOM 0 H22 DG C 28 -6.219 -15.005 -1.948 1.00 1.35 H new ATOM 2702 P DT C 29 -6.951 -16.679 6.538 1.00 2.11 P ATOM 2703 OP1 DT C 29 -7.758 -16.037 7.595 1.00 2.33 O ATOM 2704 OP2 DT C 29 -6.861 -18.157 6.597 1.00 2.12 O ATOM 2705 O5' DT C 29 -7.483 -16.236 5.102 1.00 1.95 O ATOM 2706 C5' DT C 29 -7.286 -14.865 4.675 1.00 1.92 C ATOM 2707 C4' DT C 29 -8.451 -14.420 3.825 1.00 1.94 C ATOM 2708 O4' DT C 29 -8.256 -14.922 2.463 1.00 1.76 O ATOM 2709 C3' DT C 29 -9.826 -14.949 4.228 1.00 2.08 C ATOM 2710 O3' DT C 29 -10.883 -14.112 3.763 1.00 2.19 O ATOM 2711 C2' DT C 29 -9.896 -16.286 3.508 1.00 1.95 C ATOM 2712 C1' DT C 29 -9.143 -15.995 2.218 1.00 1.77 C ATOM 2713 N1 DT C 29 -8.341 -17.143 1.719 1.00 1.62 N ATOM 2714 C2 DT C 29 -8.294 -17.336 0.353 1.00 1.52 C ATOM 2715 O2 DT C 29 -8.876 -16.611 -0.434 1.00 1.57 O ATOM 2716 N3 DT C 29 -7.536 -18.412 -0.064 1.00 1.43 N ATOM 2717 C4 DT C 29 -6.844 -19.290 0.737 1.00 1.45 C ATOM 2718 O4 DT C 29 -6.198 -20.223 0.245 1.00 1.42 O ATOM 2719 C5 DT C 29 -6.954 -19.015 2.148 1.00 1.56 C ATOM 2720 C7 DT C 29 -6.208 -19.942 3.060 1.00 1.65 C ATOM 2721 C6 DT C 29 -7.680 -17.968 2.593 1.00 1.64 C ATOM 0 H5' DT C 29 -6.358 -14.781 4.109 1.00 1.92 H new ATOM 0 H5'' DT C 29 -7.189 -14.214 5.544 1.00 1.92 H new ATOM 0 H4' DT C 29 -8.456 -13.336 3.938 1.00 1.94 H new ATOM 0 H3' DT C 29 -9.941 -15.004 5.311 1.00 2.08 H new ATOM 0 H2' DT C 29 -9.426 -17.083 4.083 1.00 1.95 H new ATOM 0 H2'' DT C 29 -10.924 -16.593 3.319 1.00 1.95 H new ATOM 0 HO3' DT C 29 -11.744 -14.488 4.041 1.00 2.19 H new ATOM 0 H1' DT C 29 -9.889 -15.768 1.457 1.00 1.77 H new ATOM 0 H3 DT C 29 -7.484 -18.572 -1.070 1.00 1.43 H new ATOM 0 H71 DT C 29 -6.147 -20.930 2.604 1.00 1.65 H new ATOM 0 H72 DT C 29 -5.202 -19.557 3.227 1.00 1.65 H new ATOM 0 H73 DT C 29 -6.732 -20.014 4.013 1.00 1.65 H new ATOM 0 H6 DT C 29 -7.742 -17.777 3.654 1.00 1.64 H new TER 2735 DT C 29