USER MOD reduce.3.24.130724 H: found=0, std=0, add=1241, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1243 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 SER OG : rot -14:sc= 0.126 USER MOD Set 1.2: B 8 DT C7 :methyl -30:sc= -3.85! (180deg=-5.08!) USER MOD Set 2.1: A 76 CYS SG : rot -126:sc= 1.23 USER MOD Set 2.2: B 6 DT C7 :methyl 150:sc= -5.34! (180deg=-5.04!) USER MOD Set 3.1: A 58 LYS NZ :NH3+ 146:sc= -2.68 (180deg=0.107) USER MOD Set 3.2: A 71 THR OG1 : rot -41:sc= 0.269 USER MOD Set 3.3: A 72 SER OG : rot 180:sc= 0.52 USER MOD Set 3.4: A 75 THR OG1 : rot 123:sc= 0.573 USER MOD Set 3.5: C 21 DT C7 :methyl -30:sc= -5.33! (180deg=-5.08!) USER MOD Set 3.6: C 22 DT C7 :methyl -30:sc= -5! (180deg=-5.08!) USER MOD Set 4.1: A 56 GLN :FLIP amide:sc= -0.346 F(o=-2.4!,f=-0.47) USER MOD Set 4.2: A 59 HIS :FLIP no HD1:sc= -0.12 X(o=-0.74,f=-0.47) USER MOD Set 5.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 16 LYS NZ :NH3+ 171:sc= 1.27 (180deg=1.23) USER MOD Single : A 1 ARG N :NH3+ -161:sc= 1.07 (180deg=0.534) USER MOD Single : A 5 GLN : amide:sc= 1.25 K(o=1.2,f=-7.8!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0.0177 USER MOD Single : A 15 MET CE :methyl 176:sc= -0.645 (180deg=-0.685) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 69:sc= 0.185 USER MOD Single : A 27 TYR OH : rot 166:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.4) USER MOD Single : A 34 ASN : amide:sc= -0.0229 K(o=-0.023,f=-1.2!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 173:sc= -0.133 (180deg=-0.194) USER MOD Single : A 40 GLN : amide:sc= 0.362 X(o=0.36,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.17) USER MOD Single : A 44 LYS NZ :NH3+ -172:sc= 0.118 (180deg=0.0607) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 91:sc= 0.561 USER MOD Single : A 52 THR OG1 : rot 78:sc= 0.612 USER MOD Single : A 61 TYR OH : rot 34:sc= 0.943 USER MOD Single : A 67 ASN : amide:sc= -1.16 X(o=-1.2,f=-1.6) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.00522 USER MOD Single : A 80 HIS :FLIP+bothHN:sc= -7.04! C(o=-8.2!,f=-7!) USER MOD Single : A 81 TYR OH : rot 11:sc= 1.27 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -158:sc= 2.17 (180deg=1.84) USER MOD Single : A 98 LYS NZ :NH3+ -144:sc= -0.074 (180deg=-1.06) USER MOD Single : A 104 LYS NZ :NH3+ -160:sc= -0.112 (180deg=-0.41) USER MOD Single : A 107 LYS NZ :NH3+ -164:sc= 0.187 (180deg=0.127) USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 13 DT C7 :methyl -30:sc= -3.8! (180deg=-5.1!) USER MOD Single : B 15 DG O3' : rot 180:sc= 0 USER MOD Single : C 24 DT C7 :methyl -30:sc= -3.83! (180deg=-5.09!) USER MOD Single : C 26 DT C7 :methyl -30:sc= -3.87! (180deg=-5.11!) USER MOD Single : C 27 DT C7 :methyl -30:sc= -4.17! (180deg=-5.08!) USER MOD Single : C 29 DT C7 :methyl -30:sc= -3.74! (180deg=-5.1!) USER MOD Single : C 29 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -14.436 10.071 13.440 1.00 1.75 N ATOM 2 CA ARG A 1 -14.640 8.599 13.547 1.00 1.74 C ATOM 3 C ARG A 1 -15.964 8.127 12.941 1.00 1.77 C ATOM 4 O ARG A 1 -15.983 7.314 12.007 1.00 1.74 O ATOM 5 CB ARG A 1 -14.430 8.123 15.006 1.00 1.77 C ATOM 6 CG ARG A 1 -14.422 6.593 15.188 1.00 1.77 C ATOM 7 CD ARG A 1 -15.782 6.039 15.640 1.00 1.83 C ATOM 8 NE ARG A 1 -15.772 4.569 15.684 1.00 1.84 N ATOM 9 CZ ARG A 1 -15.440 3.775 16.680 1.00 1.86 C ATOM 10 NH1 ARG A 1 -15.044 4.217 17.838 1.00 1.89 N ATOM 11 NH2 ARG A 1 -15.511 2.493 16.496 1.00 1.87 N ATOM 0 H1 ARG A 1 -13.427 10.291 13.561 1.00 1.75 H new ATOM 0 H2 ARG A 1 -14.752 10.398 12.505 1.00 1.75 H new ATOM 0 H3 ARG A 1 -14.986 10.552 14.180 1.00 1.75 H new ATOM 0 HA ARG A 1 -13.876 8.119 12.936 1.00 1.74 H new ATOM 0 HB2 ARG A 1 -13.485 8.524 15.372 1.00 1.77 H new ATOM 0 HB3 ARG A 1 -15.218 8.545 15.629 1.00 1.77 H new ATOM 0 HG2 ARG A 1 -14.137 6.121 14.247 1.00 1.77 H new ATOM 0 HG3 ARG A 1 -13.663 6.323 15.922 1.00 1.77 H new ATOM 0 HD2 ARG A 1 -16.028 6.433 16.626 1.00 1.83 H new ATOM 0 HD3 ARG A 1 -16.561 6.379 14.958 1.00 1.83 H new ATOM 0 HE ARG A 1 -16.062 4.101 14.825 1.00 1.84 H new ATOM 0 HH11 ARG A 1 -14.980 5.221 18.006 1.00 1.89 H new ATOM 0 HH12 ARG A 1 -14.798 3.559 18.578 1.00 1.89 H new ATOM 0 HH21 ARG A 1 -15.818 2.123 15.596 1.00 1.87 H new ATOM 0 HH22 ARG A 1 -15.260 1.855 17.251 1.00 1.87 H new ATOM 27 N ALA A 2 -17.086 8.595 13.496 1.00 1.84 N ATOM 28 CA ALA A 2 -18.408 8.053 13.165 1.00 1.89 C ATOM 29 C ALA A 2 -18.826 8.294 11.706 1.00 1.88 C ATOM 30 O ALA A 2 -19.409 7.414 11.078 1.00 1.89 O ATOM 31 CB ALA A 2 -19.431 8.639 14.145 1.00 1.97 C ATOM 0 H ALA A 2 -17.105 9.352 14.180 1.00 1.84 H new ATOM 0 HA ALA A 2 -18.363 6.969 13.266 1.00 1.89 H new ATOM 0 HB1 ALA A 2 -20.422 8.247 13.914 1.00 1.97 H new ATOM 0 HB2 ALA A 2 -19.159 8.362 15.164 1.00 1.97 H new ATOM 0 HB3 ALA A 2 -19.441 9.725 14.055 1.00 1.97 H new ATOM 37 N ASP A 3 -18.479 9.453 11.143 1.00 1.87 N ATOM 38 CA ASP A 3 -18.793 9.775 9.745 1.00 1.88 C ATOM 39 C ASP A 3 -17.920 9.002 8.740 1.00 1.81 C ATOM 40 O ASP A 3 -18.415 8.634 7.676 1.00 1.82 O ATOM 41 CB ASP A 3 -18.635 11.287 9.546 1.00 1.90 C ATOM 42 CG ASP A 3 -19.146 11.750 8.171 1.00 1.92 C ATOM 43 OD1 ASP A 3 -20.375 11.667 7.926 1.00 1.98 O ATOM 44 OD2 ASP A 3 -18.333 12.244 7.354 1.00 1.89 O ATOM 0 H ASP A 3 -17.977 10.191 11.636 1.00 1.87 H new ATOM 0 HA ASP A 3 -19.820 9.467 9.548 1.00 1.88 H new ATOM 0 HB2 ASP A 3 -19.179 11.813 10.330 1.00 1.90 H new ATOM 0 HB3 ASP A 3 -17.584 11.557 9.651 1.00 1.90 H new ATOM 49 N GLU A 4 -16.670 8.672 9.100 1.00 1.74 N ATOM 50 CA GLU A 4 -15.824 7.820 8.253 1.00 1.68 C ATOM 51 C GLU A 4 -16.402 6.405 8.232 1.00 1.69 C ATOM 52 O GLU A 4 -16.596 5.824 7.166 1.00 1.68 O ATOM 53 CB GLU A 4 -14.380 7.774 8.773 1.00 1.62 C ATOM 54 CG GLU A 4 -13.695 9.148 8.862 1.00 1.61 C ATOM 55 CD GLU A 4 -13.787 9.729 10.282 1.00 1.65 C ATOM 56 OE1 GLU A 4 -14.879 10.177 10.710 1.00 1.71 O ATOM 57 OE2 GLU A 4 -12.783 9.693 11.027 1.00 1.62 O ATOM 0 H GLU A 4 -16.226 8.980 9.965 1.00 1.74 H new ATOM 0 HA GLU A 4 -15.809 8.239 7.247 1.00 1.68 H new ATOM 0 HB2 GLU A 4 -14.377 7.315 9.762 1.00 1.62 H new ATOM 0 HB3 GLU A 4 -13.792 7.129 8.120 1.00 1.62 H new ATOM 0 HG2 GLU A 4 -12.648 9.054 8.573 1.00 1.61 H new ATOM 0 HG3 GLU A 4 -14.161 9.835 8.155 1.00 1.61 H new ATOM 64 N GLN A 5 -16.772 5.879 9.408 1.00 1.72 N ATOM 65 CA GLN A 5 -17.429 4.573 9.472 1.00 1.75 C ATOM 66 C GLN A 5 -18.756 4.554 8.695 1.00 1.81 C ATOM 67 O GLN A 5 -18.958 3.667 7.867 1.00 1.81 O ATOM 68 CB GLN A 5 -17.598 4.086 10.918 1.00 1.78 C ATOM 69 CG GLN A 5 -16.246 3.686 11.542 1.00 1.73 C ATOM 70 CD GLN A 5 -16.383 2.503 12.496 1.00 1.77 C ATOM 71 OE1 GLN A 5 -16.367 2.637 13.714 1.00 1.80 O ATOM 72 NE2 GLN A 5 -16.528 1.298 11.989 1.00 1.77 N ATOM 0 H GLN A 5 -16.629 6.331 10.311 1.00 1.72 H new ATOM 0 HA GLN A 5 -16.768 3.863 8.976 1.00 1.75 H new ATOM 0 HB2 GLN A 5 -18.057 4.873 11.516 1.00 1.78 H new ATOM 0 HB3 GLN A 5 -18.276 3.233 10.939 1.00 1.78 H new ATOM 0 HG2 GLN A 5 -15.542 3.433 10.749 1.00 1.73 H new ATOM 0 HG3 GLN A 5 -15.829 4.538 12.079 1.00 1.73 H new ATOM 0 HE21 GLN A 5 -16.543 1.169 10.977 1.00 1.77 H new ATOM 0 HE22 GLN A 5 -16.625 0.493 12.608 1.00 1.77 H new ATOM 81 N ALA A 6 -19.619 5.560 8.858 1.00 1.86 N ATOM 82 CA ALA A 6 -20.848 5.687 8.071 1.00 1.92 C ATOM 83 C ALA A 6 -20.572 5.714 6.555 1.00 1.90 C ATOM 84 O ALA A 6 -21.160 4.927 5.806 1.00 1.92 O ATOM 85 CB ALA A 6 -21.609 6.934 8.536 1.00 1.98 C ATOM 0 H ALA A 6 -19.486 6.308 9.538 1.00 1.86 H new ATOM 0 HA ALA A 6 -21.466 4.805 8.241 1.00 1.92 H new ATOM 0 HB1 ALA A 6 -22.526 7.038 7.956 1.00 1.98 H new ATOM 0 HB2 ALA A 6 -21.857 6.836 9.593 1.00 1.98 H new ATOM 0 HB3 ALA A 6 -20.986 7.816 8.390 1.00 1.98 H new ATOM 91 N PHE A 7 -19.623 6.538 6.090 1.00 1.85 N ATOM 92 CA PHE A 7 -19.286 6.603 4.667 1.00 1.83 C ATOM 93 C PHE A 7 -18.470 5.398 4.169 1.00 1.77 C ATOM 94 O PHE A 7 -18.473 5.145 2.959 1.00 1.78 O ATOM 95 CB PHE A 7 -18.721 7.986 4.279 1.00 1.82 C ATOM 96 CG PHE A 7 -17.237 8.300 4.432 1.00 1.75 C ATOM 97 CD1 PHE A 7 -16.273 7.623 3.657 1.00 1.69 C ATOM 98 CD2 PHE A 7 -16.832 9.420 5.188 1.00 1.75 C ATOM 99 CE1 PHE A 7 -14.931 8.035 3.667 1.00 1.63 C ATOM 100 CE2 PHE A 7 -15.483 9.823 5.214 1.00 1.69 C ATOM 101 CZ PHE A 7 -14.529 9.125 4.457 1.00 1.63 C ATOM 0 H PHE A 7 -19.078 7.167 6.680 1.00 1.85 H new ATOM 0 HA PHE A 7 -20.219 6.508 4.111 1.00 1.83 H new ATOM 0 HB2 PHE A 7 -18.976 8.153 3.232 1.00 1.82 H new ATOM 0 HB3 PHE A 7 -19.266 8.728 4.862 1.00 1.82 H new ATOM 0 HD1 PHE A 7 -16.570 6.780 3.050 1.00 1.69 H new ATOM 0 HD2 PHE A 7 -17.566 9.975 5.754 1.00 1.75 H new ATOM 0 HE1 PHE A 7 -14.204 7.511 3.064 1.00 1.63 H new ATOM 0 HE2 PHE A 7 -15.183 10.668 5.816 1.00 1.69 H new ATOM 0 HZ PHE A 7 -13.492 9.424 4.482 1.00 1.63 H new ATOM 111 N LEU A 8 -17.888 4.576 5.065 1.00 1.73 N ATOM 112 CA LEU A 8 -17.274 3.325 4.590 1.00 1.69 C ATOM 113 C LEU A 8 -18.259 2.149 4.668 1.00 1.75 C ATOM 114 O LEU A 8 -18.038 1.139 4.008 1.00 1.73 O ATOM 115 CB LEU A 8 -15.977 3.043 5.374 1.00 1.63 C ATOM 116 CG LEU A 8 -14.700 3.058 4.520 1.00 1.56 C ATOM 117 CD1 LEU A 8 -14.606 1.784 3.689 1.00 1.55 C ATOM 118 CD2 LEU A 8 -14.545 4.295 3.628 1.00 1.55 C ATOM 0 H LEU A 8 -17.831 4.743 6.070 1.00 1.73 H new ATOM 0 HA LEU A 8 -17.015 3.443 3.538 1.00 1.69 H new ATOM 0 HB2 LEU A 8 -15.878 3.785 6.166 1.00 1.63 H new ATOM 0 HB3 LEU A 8 -16.064 2.070 5.858 1.00 1.63 H new ATOM 0 HG LEU A 8 -13.872 3.106 5.228 1.00 1.56 H new ATOM 0 HD11 LEU A 8 -13.697 1.808 3.089 1.00 1.55 H new ATOM 0 HD12 LEU A 8 -14.581 0.919 4.351 1.00 1.55 H new ATOM 0 HD13 LEU A 8 -15.473 1.713 3.032 1.00 1.55 H new ATOM 0 HD21 LEU A 8 -13.617 4.221 3.061 1.00 1.55 H new ATOM 0 HD22 LEU A 8 -15.387 4.354 2.939 1.00 1.55 H new ATOM 0 HD23 LEU A 8 -14.521 5.191 4.249 1.00 1.55 H new ATOM 130 N VAL A 9 -19.368 2.275 5.413 1.00 1.81 N ATOM 131 CA VAL A 9 -20.491 1.322 5.316 1.00 1.87 C ATOM 132 C VAL A 9 -21.269 1.584 4.019 1.00 1.92 C ATOM 133 O VAL A 9 -21.649 0.643 3.315 1.00 1.94 O ATOM 134 CB VAL A 9 -21.396 1.394 6.564 1.00 1.93 C ATOM 135 CG1 VAL A 9 -22.728 0.647 6.394 1.00 2.01 C ATOM 136 CG2 VAL A 9 -20.683 0.761 7.768 1.00 1.91 C ATOM 0 H VAL A 9 -19.514 3.025 6.089 1.00 1.81 H new ATOM 0 HA VAL A 9 -20.099 0.305 5.281 1.00 1.87 H new ATOM 0 HB VAL A 9 -21.602 2.454 6.716 1.00 1.93 H new ATOM 0 HG11 VAL A 9 -23.315 0.738 7.308 1.00 2.01 H new ATOM 0 HG12 VAL A 9 -23.283 1.078 5.561 1.00 2.01 H new ATOM 0 HG13 VAL A 9 -22.531 -0.406 6.192 1.00 2.01 H new ATOM 0 HG21 VAL A 9 -21.329 0.816 8.644 1.00 1.91 H new ATOM 0 HG22 VAL A 9 -20.457 -0.283 7.549 1.00 1.91 H new ATOM 0 HG23 VAL A 9 -19.756 1.299 7.966 1.00 1.91 H new ATOM 146 N ALA A 10 -21.426 2.857 3.641 1.00 1.93 N ATOM 147 CA ALA A 10 -21.952 3.221 2.325 1.00 1.97 C ATOM 148 C ALA A 10 -21.038 2.738 1.181 1.00 1.92 C ATOM 149 O ALA A 10 -21.535 2.121 0.229 1.00 1.96 O ATOM 150 CB ALA A 10 -22.162 4.740 2.283 1.00 1.99 C ATOM 0 H ALA A 10 -21.194 3.655 4.233 1.00 1.93 H new ATOM 0 HA ALA A 10 -22.908 2.719 2.173 1.00 1.97 H new ATOM 0 HB1 ALA A 10 -22.554 5.026 1.307 1.00 1.99 H new ATOM 0 HB2 ALA A 10 -22.871 5.031 3.058 1.00 1.99 H new ATOM 0 HB3 ALA A 10 -21.211 5.244 2.454 1.00 1.99 H new ATOM 156 N LEU A 11 -19.708 2.930 1.294 1.00 1.84 N ATOM 157 CA LEU A 11 -18.779 2.292 0.353 1.00 1.80 C ATOM 158 C LEU A 11 -18.882 0.771 0.402 1.00 1.80 C ATOM 159 O LEU A 11 -18.911 0.173 -0.661 1.00 1.82 O ATOM 160 CB LEU A 11 -17.317 2.716 0.554 1.00 1.71 C ATOM 161 CG LEU A 11 -16.359 2.035 -0.461 1.00 1.67 C ATOM 162 CD1 LEU A 11 -16.633 2.393 -1.922 1.00 1.71 C ATOM 163 CD2 LEU A 11 -14.922 2.443 -0.172 1.00 1.59 C ATOM 0 H LEU A 11 -19.266 3.507 2.010 1.00 1.84 H new ATOM 0 HA LEU A 11 -19.088 2.643 -0.632 1.00 1.80 H new ATOM 0 HB2 LEU A 11 -17.238 3.799 0.454 1.00 1.71 H new ATOM 0 HB3 LEU A 11 -17.005 2.466 1.568 1.00 1.71 H new ATOM 0 HG LEU A 11 -16.528 0.966 -0.334 1.00 1.67 H new ATOM 0 HD11 LEU A 11 -15.920 1.875 -2.563 1.00 1.71 H new ATOM 0 HD12 LEU A 11 -17.646 2.090 -2.187 1.00 1.71 H new ATOM 0 HD13 LEU A 11 -16.529 3.469 -2.059 1.00 1.71 H new ATOM 0 HD21 LEU A 11 -14.256 1.961 -0.888 1.00 1.59 H new ATOM 0 HD22 LEU A 11 -14.827 3.525 -0.259 1.00 1.59 H new ATOM 0 HD23 LEU A 11 -14.652 2.135 0.838 1.00 1.59 H new ATOM 175 N TYR A 12 -18.962 0.128 1.570 1.00 1.80 N ATOM 176 CA TYR A 12 -19.087 -1.331 1.664 1.00 1.81 C ATOM 177 C TYR A 12 -20.263 -1.853 0.834 1.00 1.89 C ATOM 178 O TYR A 12 -20.080 -2.789 0.053 1.00 1.89 O ATOM 179 CB TYR A 12 -19.192 -1.788 3.126 1.00 1.82 C ATOM 180 CG TYR A 12 -19.648 -3.225 3.305 1.00 1.86 C ATOM 181 CD1 TYR A 12 -18.912 -4.280 2.731 1.00 1.84 C ATOM 182 CD2 TYR A 12 -20.850 -3.500 3.992 1.00 1.94 C ATOM 183 CE1 TYR A 12 -19.379 -5.607 2.833 1.00 1.89 C ATOM 184 CE2 TYR A 12 -21.313 -4.824 4.103 1.00 1.99 C ATOM 185 CZ TYR A 12 -20.581 -5.882 3.521 1.00 1.96 C ATOM 186 OH TYR A 12 -21.036 -7.162 3.610 1.00 2.02 O ATOM 0 H TYR A 12 -18.942 0.600 2.474 1.00 1.80 H new ATOM 0 HA TYR A 12 -18.178 -1.762 1.245 1.00 1.81 H new ATOM 0 HB2 TYR A 12 -18.219 -1.667 3.602 1.00 1.82 H new ATOM 0 HB3 TYR A 12 -19.887 -1.132 3.650 1.00 1.82 H new ATOM 0 HD1 TYR A 12 -17.988 -4.072 2.212 1.00 1.84 H new ATOM 0 HD2 TYR A 12 -21.415 -2.693 4.433 1.00 1.94 H new ATOM 0 HE1 TYR A 12 -18.817 -6.413 2.385 1.00 1.89 H new ATOM 0 HE2 TYR A 12 -22.230 -5.031 4.634 1.00 1.99 H new ATOM 0 HH TYR A 12 -21.874 -7.177 4.117 1.00 2.02 H new ATOM 196 N LYS A 13 -21.434 -1.203 0.921 1.00 1.95 N ATOM 197 CA LYS A 13 -22.561 -1.521 0.036 1.00 2.03 C ATOM 198 C LYS A 13 -22.207 -1.286 -1.435 1.00 2.02 C ATOM 199 O LYS A 13 -22.284 -2.239 -2.217 1.00 2.05 O ATOM 200 CB LYS A 13 -23.815 -0.756 0.495 1.00 2.10 C ATOM 201 CG LYS A 13 -25.067 -1.181 -0.292 1.00 2.18 C ATOM 202 CD LYS A 13 -26.341 -0.448 0.160 1.00 2.25 C ATOM 203 CE LYS A 13 -26.755 -0.820 1.591 1.00 2.27 C ATOM 204 NZ LYS A 13 -28.034 -0.167 1.977 1.00 2.34 N ATOM 0 H LYS A 13 -21.623 -0.458 1.592 1.00 1.95 H new ATOM 0 HA LYS A 13 -22.787 -2.585 0.109 1.00 2.03 H new ATOM 0 HB2 LYS A 13 -23.978 -0.931 1.558 1.00 2.10 H new ATOM 0 HB3 LYS A 13 -23.653 0.315 0.369 1.00 2.10 H new ATOM 0 HG2 LYS A 13 -24.903 -0.992 -1.353 1.00 2.18 H new ATOM 0 HG3 LYS A 13 -25.213 -2.255 -0.178 1.00 2.18 H new ATOM 0 HD2 LYS A 13 -26.178 0.628 0.100 1.00 2.25 H new ATOM 0 HD3 LYS A 13 -27.156 -0.686 -0.524 1.00 2.25 H new ATOM 0 HE2 LYS A 13 -26.860 -1.902 1.671 1.00 2.27 H new ATOM 0 HE3 LYS A 13 -25.970 -0.524 2.286 1.00 2.27 H new ATOM 0 HZ1 LYS A 13 -28.284 -0.440 2.949 1.00 2.34 H new ATOM 0 HZ2 LYS A 13 -27.926 0.866 1.924 1.00 2.34 H new ATOM 0 HZ3 LYS A 13 -28.788 -0.470 1.328 1.00 2.34 H new ATOM 218 N TYR A 14 -21.762 -0.085 -1.826 1.00 2.00 N ATOM 219 CA TYR A 14 -21.374 0.141 -3.225 1.00 2.00 C ATOM 220 C TYR A 14 -20.291 -0.803 -3.778 1.00 1.95 C ATOM 221 O TYR A 14 -20.414 -1.275 -4.906 1.00 1.99 O ATOM 222 CB TYR A 14 -20.939 1.608 -3.361 1.00 1.98 C ATOM 223 CG TYR A 14 -20.784 2.076 -4.795 1.00 2.01 C ATOM 224 CD1 TYR A 14 -21.929 2.433 -5.535 1.00 2.10 C ATOM 225 CD2 TYR A 14 -19.509 2.149 -5.391 1.00 1.96 C ATOM 226 CE1 TYR A 14 -21.804 2.858 -6.871 1.00 2.14 C ATOM 227 CE2 TYR A 14 -19.381 2.566 -6.732 1.00 1.99 C ATOM 228 CZ TYR A 14 -20.530 2.920 -7.474 1.00 2.09 C ATOM 229 OH TYR A 14 -20.404 3.289 -8.779 1.00 2.13 O ATOM 0 H TYR A 14 -21.663 0.725 -1.214 1.00 2.00 H new ATOM 0 HA TYR A 14 -22.248 -0.086 -3.835 1.00 2.00 H new ATOM 0 HB2 TYR A 14 -21.672 2.241 -2.860 1.00 1.98 H new ATOM 0 HB3 TYR A 14 -19.991 1.745 -2.841 1.00 1.98 H new ATOM 0 HD1 TYR A 14 -22.905 2.380 -5.076 1.00 2.10 H new ATOM 0 HD2 TYR A 14 -18.630 1.886 -4.821 1.00 1.96 H new ATOM 0 HE1 TYR A 14 -22.683 3.136 -7.434 1.00 2.14 H new ATOM 0 HE2 TYR A 14 -18.405 2.615 -7.192 1.00 1.99 H new ATOM 0 HH TYR A 14 -19.457 3.279 -9.032 1.00 2.13 H new ATOM 239 N MET A 15 -19.251 -1.126 -3.004 1.00 1.88 N ATOM 240 CA MET A 15 -18.156 -1.985 -3.452 1.00 1.83 C ATOM 241 C MET A 15 -18.565 -3.465 -3.478 1.00 1.86 C ATOM 242 O MET A 15 -18.127 -4.195 -4.369 1.00 1.86 O ATOM 243 CB MET A 15 -16.853 -1.691 -2.701 1.00 1.74 C ATOM 244 CG MET A 15 -16.778 -2.213 -1.267 1.00 1.72 C ATOM 245 SD MET A 15 -15.389 -1.567 -0.287 1.00 1.62 S ATOM 246 CE MET A 15 -13.978 -1.839 -1.398 1.00 1.57 C ATOM 0 H MET A 15 -19.146 -0.796 -2.044 1.00 1.88 H new ATOM 0 HA MET A 15 -17.936 -1.739 -4.491 1.00 1.83 H new ATOM 0 HB2 MET A 15 -16.025 -2.119 -3.267 1.00 1.74 H new ATOM 0 HB3 MET A 15 -16.702 -0.612 -2.683 1.00 1.74 H new ATOM 0 HG2 MET A 15 -17.709 -1.966 -0.757 1.00 1.72 H new ATOM 0 HG3 MET A 15 -16.709 -3.300 -1.295 1.00 1.72 H new ATOM 0 HE1 MET A 15 -13.076 -1.423 -0.949 1.00 1.57 H new ATOM 0 HE2 MET A 15 -13.843 -2.908 -1.559 1.00 1.57 H new ATOM 0 HE3 MET A 15 -14.167 -1.349 -2.353 1.00 1.57 H new ATOM 256 N LYS A 16 -19.479 -3.910 -2.595 1.00 1.90 N ATOM 257 CA LYS A 16 -20.107 -5.237 -2.724 1.00 1.96 C ATOM 258 C LYS A 16 -20.958 -5.328 -3.999 1.00 2.03 C ATOM 259 O LYS A 16 -20.880 -6.324 -4.716 1.00 2.05 O ATOM 260 CB LYS A 16 -20.903 -5.544 -1.445 1.00 1.99 C ATOM 261 CG LYS A 16 -21.455 -6.976 -1.433 1.00 2.05 C ATOM 262 CD LYS A 16 -21.772 -7.427 -0.002 1.00 2.07 C ATOM 263 CE LYS A 16 -22.371 -8.837 -0.011 1.00 2.13 C ATOM 264 NZ LYS A 16 -22.367 -9.429 1.349 1.00 2.15 N ATOM 0 H LYS A 16 -19.797 -3.372 -1.789 1.00 1.90 H new ATOM 0 HA LYS A 16 -19.337 -6.001 -2.830 1.00 1.96 H new ATOM 0 HB2 LYS A 16 -20.261 -5.397 -0.576 1.00 1.99 H new ATOM 0 HB3 LYS A 16 -21.728 -4.838 -1.355 1.00 1.99 H new ATOM 0 HG2 LYS A 16 -22.357 -7.028 -2.043 1.00 2.05 H new ATOM 0 HG3 LYS A 16 -20.728 -7.654 -1.880 1.00 2.05 H new ATOM 0 HD2 LYS A 16 -20.864 -7.414 0.601 1.00 2.07 H new ATOM 0 HD3 LYS A 16 -22.471 -6.730 0.460 1.00 2.07 H new ATOM 0 HE2 LYS A 16 -23.392 -8.799 -0.391 1.00 2.13 H new ATOM 0 HE3 LYS A 16 -21.802 -9.473 -0.689 1.00 2.13 H new ATOM 0 HZ1 LYS A 16 -22.912 -10.315 1.344 1.00 2.15 H new ATOM 0 HZ2 LYS A 16 -21.388 -9.627 1.639 1.00 2.15 H new ATOM 0 HZ3 LYS A 16 -22.798 -8.761 2.020 1.00 2.15 H new ATOM 278 N GLU A 17 -21.651 -4.245 -4.355 1.00 2.07 N ATOM 279 CA GLU A 17 -22.324 -4.117 -5.667 1.00 2.13 C ATOM 280 C GLU A 17 -21.340 -3.926 -6.857 1.00 2.10 C ATOM 281 O GLU A 17 -21.764 -3.831 -8.011 1.00 2.16 O ATOM 282 CB GLU A 17 -23.351 -2.970 -5.566 1.00 2.18 C ATOM 283 CG GLU A 17 -24.476 -3.044 -6.609 1.00 2.27 C ATOM 284 CD GLU A 17 -25.565 -1.992 -6.321 1.00 2.33 C ATOM 285 OE1 GLU A 17 -25.465 -0.849 -6.832 1.00 2.34 O ATOM 286 OE2 GLU A 17 -26.541 -2.303 -5.596 1.00 2.37 O ATOM 0 H GLU A 17 -21.767 -3.431 -3.752 1.00 2.07 H new ATOM 0 HA GLU A 17 -22.831 -5.055 -5.892 1.00 2.13 H new ATOM 0 HB2 GLU A 17 -23.793 -2.978 -4.569 1.00 2.18 H new ATOM 0 HB3 GLU A 17 -22.830 -2.019 -5.676 1.00 2.18 H new ATOM 0 HG2 GLU A 17 -24.064 -2.883 -7.605 1.00 2.27 H new ATOM 0 HG3 GLU A 17 -24.917 -4.041 -6.603 1.00 2.27 H new ATOM 293 N ARG A 18 -20.023 -3.893 -6.589 1.00 2.02 N ATOM 294 CA ARG A 18 -18.974 -3.843 -7.634 1.00 1.99 C ATOM 295 C ARG A 18 -18.032 -5.063 -7.582 1.00 1.95 C ATOM 296 O ARG A 18 -16.920 -5.019 -8.112 1.00 1.90 O ATOM 297 CB ARG A 18 -18.244 -2.475 -7.605 1.00 1.94 C ATOM 298 CG ARG A 18 -18.882 -1.421 -8.529 1.00 2.01 C ATOM 299 CD ARG A 18 -20.149 -0.766 -7.969 1.00 2.06 C ATOM 300 NE ARG A 18 -20.843 0.025 -9.003 1.00 2.13 N ATOM 301 CZ ARG A 18 -21.803 -0.392 -9.812 1.00 2.22 C ATOM 302 NH1 ARG A 18 -22.275 -1.607 -9.787 1.00 2.24 N ATOM 303 NH2 ARG A 18 -22.310 0.424 -10.689 1.00 2.28 N ATOM 0 H ARG A 18 -19.650 -3.900 -5.640 1.00 2.02 H new ATOM 0 HA ARG A 18 -19.455 -3.917 -8.609 1.00 1.99 H new ATOM 0 HB2 ARG A 18 -18.239 -2.096 -6.583 1.00 1.94 H new ATOM 0 HB3 ARG A 18 -17.204 -2.621 -7.896 1.00 1.94 H new ATOM 0 HG2 ARG A 18 -18.146 -0.643 -8.733 1.00 2.01 H new ATOM 0 HG3 ARG A 18 -19.123 -1.891 -9.483 1.00 2.01 H new ATOM 0 HD2 ARG A 18 -20.819 -1.535 -7.585 1.00 2.06 H new ATOM 0 HD3 ARG A 18 -19.888 -0.122 -7.129 1.00 2.06 H new ATOM 0 HE ARG A 18 -20.552 0.997 -9.105 1.00 2.13 H new ATOM 0 HH11 ARG A 18 -21.903 -2.285 -9.122 1.00 2.24 H new ATOM 0 HH12 ARG A 18 -23.016 -1.880 -10.432 1.00 2.24 H new ATOM 0 HH21 ARG A 18 -21.967 1.383 -10.752 1.00 2.28 H new ATOM 0 HH22 ARG A 18 -23.050 0.105 -11.314 1.00 2.28 H new ATOM 317 N LYS A 19 -18.477 -6.170 -6.963 1.00 1.97 N ATOM 318 CA LYS A 19 -17.786 -7.476 -6.863 1.00 1.95 C ATOM 319 C LYS A 19 -16.466 -7.377 -6.089 1.00 1.86 C ATOM 320 O LYS A 19 -15.580 -8.228 -6.217 1.00 1.84 O ATOM 321 CB LYS A 19 -17.640 -8.137 -8.253 1.00 1.99 C ATOM 322 CG LYS A 19 -18.983 -8.295 -8.988 1.00 2.09 C ATOM 323 CD LYS A 19 -18.795 -8.976 -10.348 1.00 2.13 C ATOM 324 CE LYS A 19 -20.142 -9.084 -11.076 1.00 2.22 C ATOM 325 NZ LYS A 19 -19.994 -9.717 -12.414 1.00 2.27 N ATOM 0 H LYS A 19 -19.381 -6.182 -6.490 1.00 1.97 H new ATOM 0 HA LYS A 19 -18.413 -8.142 -6.270 1.00 1.95 H new ATOM 0 HB2 LYS A 19 -16.966 -7.538 -8.865 1.00 1.99 H new ATOM 0 HB3 LYS A 19 -17.178 -9.118 -8.136 1.00 1.99 H new ATOM 0 HG2 LYS A 19 -19.668 -8.882 -8.376 1.00 2.09 H new ATOM 0 HG3 LYS A 19 -19.441 -7.316 -9.129 1.00 2.09 H new ATOM 0 HD2 LYS A 19 -18.090 -8.407 -10.954 1.00 2.13 H new ATOM 0 HD3 LYS A 19 -18.367 -9.969 -10.210 1.00 2.13 H new ATOM 0 HE2 LYS A 19 -20.837 -9.668 -10.472 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -20.575 -8.090 -11.189 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -20.924 -9.773 -12.876 1.00 2.27 H new ATOM 0 HZ2 LYS A 19 -19.351 -9.146 -12.999 1.00 2.27 H new ATOM 0 HZ3 LYS A 19 -19.604 -10.675 -12.304 1.00 2.27 H new ATOM 339 N THR A 20 -16.364 -6.339 -5.254 1.00 1.82 N ATOM 340 CA THR A 20 -15.148 -6.042 -4.498 1.00 1.73 C ATOM 341 C THR A 20 -15.483 -5.681 -3.039 1.00 1.72 C ATOM 342 O THR A 20 -15.141 -4.590 -2.591 1.00 1.68 O ATOM 343 CB THR A 20 -14.299 -4.953 -5.204 1.00 1.69 C ATOM 344 OG1 THR A 20 -14.185 -5.208 -6.591 1.00 1.72 O ATOM 345 CG2 THR A 20 -12.857 -4.888 -4.693 1.00 1.61 C ATOM 0 H THR A 20 -17.125 -5.681 -5.084 1.00 1.82 H new ATOM 0 HA THR A 20 -14.533 -6.941 -4.468 1.00 1.73 H new ATOM 0 HB THR A 20 -14.825 -4.022 -4.992 1.00 1.69 H new ATOM 0 HG1 THR A 20 -15.055 -5.074 -7.021 1.00 1.72 H new ATOM 0 HG21 THR A 20 -12.317 -4.106 -5.227 1.00 1.61 H new ATOM 0 HG22 THR A 20 -12.859 -4.664 -3.626 1.00 1.61 H new ATOM 0 HG23 THR A 20 -12.368 -5.847 -4.861 1.00 1.61 H new ATOM 353 N PRO A 21 -16.206 -6.531 -2.280 1.00 1.76 N ATOM 354 CA PRO A 21 -16.584 -6.240 -0.891 1.00 1.76 C ATOM 355 C PRO A 21 -15.372 -6.185 0.055 1.00 1.69 C ATOM 356 O PRO A 21 -14.338 -6.800 -0.202 1.00 1.66 O ATOM 357 CB PRO A 21 -17.538 -7.375 -0.497 1.00 1.84 C ATOM 358 CG PRO A 21 -17.062 -8.551 -1.346 1.00 1.85 C ATOM 359 CD PRO A 21 -16.660 -7.868 -2.650 1.00 1.82 C ATOM 0 HA PRO A 21 -17.046 -5.256 -0.810 1.00 1.76 H new ATOM 0 HB2 PRO A 21 -17.478 -7.598 0.568 1.00 1.84 H new ATOM 0 HB3 PRO A 21 -18.576 -7.120 -0.711 1.00 1.84 H new ATOM 0 HG2 PRO A 21 -16.223 -9.073 -0.885 1.00 1.85 H new ATOM 0 HG3 PRO A 21 -17.851 -9.288 -1.499 1.00 1.85 H new ATOM 0 HD2 PRO A 21 -15.869 -8.423 -3.154 1.00 1.82 H new ATOM 0 HD3 PRO A 21 -17.502 -7.817 -3.340 1.00 1.82 H new ATOM 367 N ILE A 22 -15.533 -5.543 1.218 1.00 1.68 N ATOM 368 CA ILE A 22 -14.533 -5.622 2.314 1.00 1.64 C ATOM 369 C ILE A 22 -14.337 -7.086 2.787 1.00 1.67 C ATOM 370 O ILE A 22 -13.279 -7.465 3.281 1.00 1.64 O ATOM 371 CB ILE A 22 -14.929 -4.634 3.446 1.00 1.64 C ATOM 372 CG1 ILE A 22 -14.866 -3.192 2.904 1.00 1.61 C ATOM 373 CG2 ILE A 22 -14.032 -4.781 4.691 1.00 1.61 C ATOM 374 CD1 ILE A 22 -15.311 -2.103 3.888 1.00 1.62 C ATOM 0 H ILE A 22 -16.342 -4.961 1.434 1.00 1.68 H new ATOM 0 HA ILE A 22 -13.553 -5.310 1.952 1.00 1.64 H new ATOM 0 HB ILE A 22 -15.945 -4.870 3.761 1.00 1.64 H new ATOM 0 HG12 ILE A 22 -13.842 -2.982 2.594 1.00 1.61 H new ATOM 0 HG13 ILE A 22 -15.489 -3.129 2.012 1.00 1.61 H new ATOM 0 HG21 ILE A 22 -14.349 -4.069 5.454 1.00 1.61 H new ATOM 0 HG22 ILE A 22 -14.117 -5.795 5.083 1.00 1.61 H new ATOM 0 HG23 ILE A 22 -12.995 -4.583 4.418 1.00 1.61 H new ATOM 0 HD11 ILE A 22 -15.229 -1.126 3.411 1.00 1.62 H new ATOM 0 HD12 ILE A 22 -16.346 -2.278 4.181 1.00 1.62 H new ATOM 0 HD13 ILE A 22 -14.674 -2.129 4.772 1.00 1.62 H new ATOM 386 N GLU A 23 -15.346 -7.924 2.527 1.00 1.74 N ATOM 387 CA GLU A 23 -15.240 -9.389 2.675 1.00 1.78 C ATOM 388 C GLU A 23 -14.067 -10.054 1.899 1.00 1.75 C ATOM 389 O GLU A 23 -13.730 -11.203 2.198 1.00 1.78 O ATOM 390 CB GLU A 23 -16.573 -10.068 2.316 1.00 1.87 C ATOM 391 CG GLU A 23 -17.731 -9.622 3.217 1.00 1.91 C ATOM 392 CD GLU A 23 -19.004 -10.431 2.916 1.00 2.00 C ATOM 393 OE1 GLU A 23 -19.748 -10.063 1.976 1.00 2.02 O ATOM 394 OE2 GLU A 23 -19.273 -11.439 3.614 1.00 2.06 O ATOM 0 H GLU A 23 -16.262 -7.610 2.207 1.00 1.74 H new ATOM 0 HA GLU A 23 -15.007 -9.545 3.728 1.00 1.78 H new ATOM 0 HB2 GLU A 23 -16.820 -9.846 1.278 1.00 1.87 H new ATOM 0 HB3 GLU A 23 -16.456 -11.149 2.391 1.00 1.87 H new ATOM 0 HG2 GLU A 23 -17.453 -9.750 4.263 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -17.926 -8.560 3.066 1.00 1.91 H new ATOM 401 N ARG A 24 -13.394 -9.353 0.960 1.00 1.69 N ATOM 402 CA ARG A 24 -12.139 -9.790 0.296 1.00 1.65 C ATOM 403 C ARG A 24 -10.903 -8.933 0.648 1.00 1.57 C ATOM 404 O ARG A 24 -9.854 -9.070 0.018 1.00 1.53 O ATOM 405 CB ARG A 24 -12.363 -9.981 -1.224 1.00 1.67 C ATOM 406 CG ARG A 24 -12.200 -8.720 -2.099 1.00 1.62 C ATOM 407 CD ARG A 24 -12.725 -8.929 -3.530 1.00 1.67 C ATOM 408 NE ARG A 24 -11.947 -9.931 -4.282 1.00 1.67 N ATOM 409 CZ ARG A 24 -12.198 -10.377 -5.504 1.00 1.72 C ATOM 410 NH1 ARG A 24 -13.213 -9.971 -6.217 1.00 1.77 N ATOM 411 NH2 ARG A 24 -11.408 -11.260 -6.045 1.00 1.72 N ATOM 0 H ARG A 24 -13.715 -8.442 0.632 1.00 1.69 H new ATOM 0 HA ARG A 24 -11.884 -10.766 0.709 1.00 1.65 H new ATOM 0 HB2 ARG A 24 -11.665 -10.739 -1.581 1.00 1.67 H new ATOM 0 HB3 ARG A 24 -13.367 -10.376 -1.376 1.00 1.67 H new ATOM 0 HG2 ARG A 24 -12.733 -7.889 -1.637 1.00 1.62 H new ATOM 0 HG3 ARG A 24 -11.147 -8.441 -2.138 1.00 1.62 H new ATOM 0 HD2 ARG A 24 -13.768 -9.242 -3.488 1.00 1.67 H new ATOM 0 HD3 ARG A 24 -12.699 -7.979 -4.064 1.00 1.67 H new ATOM 0 HE ARG A 24 -11.130 -10.322 -3.812 1.00 1.67 H new ATOM 0 HH11 ARG A 24 -13.858 -9.278 -5.838 1.00 1.77 H new ATOM 0 HH12 ARG A 24 -13.361 -10.347 -7.154 1.00 1.77 H new ATOM 0 HH21 ARG A 24 -10.599 -11.606 -5.528 1.00 1.72 H new ATOM 0 HH22 ARG A 24 -11.598 -11.606 -6.986 1.00 1.72 H new ATOM 425 N ILE A 25 -11.012 -8.078 1.669 1.00 1.55 N ATOM 426 CA ILE A 25 -9.994 -7.127 2.149 1.00 1.48 C ATOM 427 C ILE A 25 -9.822 -7.320 3.677 1.00 1.49 C ATOM 428 O ILE A 25 -10.347 -6.538 4.476 1.00 1.50 O ATOM 429 CB ILE A 25 -10.356 -5.666 1.760 1.00 1.45 C ATOM 430 CG1 ILE A 25 -10.826 -5.515 0.292 1.00 1.46 C ATOM 431 CG2 ILE A 25 -9.115 -4.785 2.002 1.00 1.37 C ATOM 432 CD1 ILE A 25 -11.281 -4.097 -0.075 1.00 1.45 C ATOM 0 H ILE A 25 -11.868 -8.025 2.221 1.00 1.55 H new ATOM 0 HA ILE A 25 -9.037 -7.327 1.666 1.00 1.48 H new ATOM 0 HB ILE A 25 -11.198 -5.356 2.379 1.00 1.45 H new ATOM 0 HG12 ILE A 25 -10.012 -5.807 -0.371 1.00 1.46 H new ATOM 0 HG13 ILE A 25 -11.648 -6.207 0.112 1.00 1.46 H new ATOM 0 HG21 ILE A 25 -9.344 -3.753 1.736 1.00 1.37 H new ATOM 0 HG22 ILE A 25 -8.833 -4.835 3.054 1.00 1.37 H new ATOM 0 HG23 ILE A 25 -8.289 -5.143 1.388 1.00 1.37 H new ATOM 0 HD11 ILE A 25 -11.594 -4.074 -1.119 1.00 1.45 H new ATOM 0 HD12 ILE A 25 -12.117 -3.807 0.561 1.00 1.45 H new ATOM 0 HD13 ILE A 25 -10.455 -3.401 0.071 1.00 1.45 H new ATOM 444 N PRO A 26 -9.241 -8.467 4.054 1.00 1.53 N ATOM 445 CA PRO A 26 -9.191 -8.912 5.443 1.00 1.57 C ATOM 446 C PRO A 26 -8.386 -8.107 6.441 1.00 1.52 C ATOM 447 O PRO A 26 -8.829 -7.975 7.580 1.00 1.50 O ATOM 448 CB PRO A 26 -8.640 -10.335 5.357 1.00 1.62 C ATOM 449 CG PRO A 26 -7.931 -10.425 4.048 1.00 1.59 C ATOM 450 CD PRO A 26 -8.547 -9.396 3.142 1.00 1.55 C ATOM 0 HA PRO A 26 -10.196 -8.801 5.851 1.00 1.57 H new ATOM 0 HB2 PRO A 26 -7.960 -10.540 6.184 1.00 1.62 H new ATOM 0 HB3 PRO A 26 -9.444 -11.069 5.416 1.00 1.62 H new ATOM 0 HG2 PRO A 26 -6.864 -10.239 4.174 1.00 1.59 H new ATOM 0 HG3 PRO A 26 -8.032 -11.423 3.623 1.00 1.59 H new ATOM 0 HD2 PRO A 26 -7.788 -8.881 2.553 1.00 1.55 H new ATOM 0 HD3 PRO A 26 -9.242 -9.853 2.437 1.00 1.55 H new ATOM 458 N TYR A 27 -7.239 -7.554 6.075 1.00 1.52 N ATOM 459 CA TYR A 27 -6.449 -6.873 7.096 1.00 1.49 C ATOM 460 C TYR A 27 -5.327 -5.985 6.562 1.00 1.38 C ATOM 461 O TYR A 27 -5.064 -5.919 5.364 1.00 1.34 O ATOM 462 CB TYR A 27 -5.836 -7.944 8.026 1.00 1.61 C ATOM 463 CG TYR A 27 -5.537 -9.278 7.344 1.00 1.65 C ATOM 464 CD1 TYR A 27 -4.814 -9.333 6.155 1.00 1.76 C ATOM 465 CD2 TYR A 27 -5.986 -10.482 7.884 1.00 1.91 C ATOM 466 CE1 TYR A 27 -4.552 -10.539 5.526 1.00 2.09 C ATOM 467 CE2 TYR A 27 -5.727 -11.692 7.257 1.00 2.21 C ATOM 468 CZ TYR A 27 -5.008 -11.713 6.079 1.00 2.29 C ATOM 469 OH TYR A 27 -4.754 -12.913 5.447 1.00 2.75 O ATOM 0 H TYR A 27 -6.848 -7.558 5.133 1.00 1.52 H new ATOM 0 HA TYR A 27 -7.134 -6.202 7.615 1.00 1.49 H new ATOM 0 HB2 TYR A 27 -4.912 -7.552 8.451 1.00 1.61 H new ATOM 0 HB3 TYR A 27 -6.519 -8.120 8.857 1.00 1.61 H new ATOM 0 HD1 TYR A 27 -4.450 -8.417 5.714 1.00 1.76 H new ATOM 0 HD2 TYR A 27 -6.546 -10.473 8.808 1.00 1.91 H new ATOM 0 HE1 TYR A 27 -3.991 -10.557 4.603 1.00 2.09 H new ATOM 0 HE2 TYR A 27 -6.087 -12.614 7.689 1.00 2.21 H new ATOM 0 HH TYR A 27 -4.932 -13.652 6.065 1.00 2.75 H new ATOM 479 N LEU A 28 -4.707 -5.278 7.510 1.00 1.39 N ATOM 480 CA LEU A 28 -3.541 -4.422 7.290 1.00 1.35 C ATOM 481 C LEU A 28 -2.315 -5.313 7.413 1.00 1.35 C ATOM 482 O LEU A 28 -2.428 -6.421 7.945 1.00 1.38 O ATOM 483 CB LEU A 28 -3.470 -3.308 8.340 1.00 1.42 C ATOM 484 CG LEU A 28 -3.080 -1.921 7.825 1.00 1.37 C ATOM 485 CD1 LEU A 28 -3.656 -0.835 8.722 1.00 1.58 C ATOM 486 CD2 LEU A 28 -1.563 -1.777 7.748 1.00 1.77 C ATOM 0 H LEU A 28 -5.013 -5.287 8.483 1.00 1.39 H new ATOM 0 HA LEU A 28 -3.601 -3.947 6.311 1.00 1.35 H new ATOM 0 HB2 LEU A 28 -4.443 -3.232 8.826 1.00 1.42 H new ATOM 0 HB3 LEU A 28 -2.753 -3.604 9.106 1.00 1.42 H new ATOM 0 HG LEU A 28 -3.493 -1.808 6.823 1.00 1.37 H new ATOM 0 HD11 LEU A 28 -3.368 0.144 8.339 1.00 1.58 H new ATOM 0 HD12 LEU A 28 -4.743 -0.913 8.736 1.00 1.58 H new ATOM 0 HD13 LEU A 28 -3.270 -0.957 9.734 1.00 1.58 H new ATOM 0 HD21 LEU A 28 -1.310 -0.783 7.379 1.00 1.77 H new ATOM 0 HD22 LEU A 28 -1.133 -1.916 8.740 1.00 1.77 H new ATOM 0 HD23 LEU A 28 -1.160 -2.529 7.069 1.00 1.77 H new ATOM 498 N GLY A 29 -1.160 -4.866 6.926 1.00 1.36 N ATOM 499 CA GLY A 29 0.027 -5.711 6.968 1.00 1.41 C ATOM 500 C GLY A 29 0.255 -6.407 8.311 1.00 1.47 C ATOM 501 O GLY A 29 0.389 -7.626 8.357 1.00 1.53 O ATOM 0 H GLY A 29 -1.023 -3.946 6.508 1.00 1.36 H new ATOM 0 HA2 GLY A 29 -0.052 -6.468 6.188 1.00 1.41 H new ATOM 0 HA3 GLY A 29 0.901 -5.103 6.734 1.00 1.41 H new ATOM 505 N PHE A 30 0.294 -5.657 9.399 1.00 1.52 N ATOM 506 CA PHE A 30 0.471 -6.267 10.717 1.00 1.61 C ATOM 507 C PHE A 30 -0.831 -6.342 11.535 1.00 1.61 C ATOM 508 O PHE A 30 -0.973 -7.198 12.409 1.00 1.66 O ATOM 509 CB PHE A 30 1.574 -5.564 11.511 1.00 1.76 C ATOM 510 CG PHE A 30 1.434 -4.070 11.618 1.00 1.83 C ATOM 511 CD1 PHE A 30 1.913 -3.233 10.620 1.00 2.24 C ATOM 512 CD2 PHE A 30 0.854 -3.497 12.741 1.00 2.34 C ATOM 513 CE1 PHE A 30 1.809 -1.860 10.737 1.00 2.87 C ATOM 514 CE2 PHE A 30 0.754 -2.127 12.866 1.00 2.75 C ATOM 515 CZ PHE A 30 1.232 -1.308 11.863 1.00 2.93 C ATOM 0 H PHE A 30 0.208 -4.641 9.404 1.00 1.52 H new ATOM 0 HA PHE A 30 0.777 -7.297 10.531 1.00 1.61 H new ATOM 0 HB2 PHE A 30 1.599 -5.983 12.517 1.00 1.76 H new ATOM 0 HB3 PHE A 30 2.534 -5.791 11.047 1.00 1.76 H new ATOM 0 HD1 PHE A 30 2.373 -3.660 9.741 1.00 2.24 H new ATOM 0 HD2 PHE A 30 0.476 -4.133 13.528 1.00 2.34 H new ATOM 0 HE1 PHE A 30 2.178 -1.220 9.949 1.00 2.87 H new ATOM 0 HE2 PHE A 30 0.302 -1.696 13.747 1.00 2.75 H new ATOM 0 HZ PHE A 30 1.155 -0.235 11.959 1.00 2.93 H new ATOM 525 N LYS A 31 -1.773 -5.442 11.247 1.00 1.61 N ATOM 526 CA LYS A 31 -3.029 -5.340 12.010 1.00 1.66 C ATOM 527 C LYS A 31 -4.276 -5.389 11.121 1.00 1.60 C ATOM 528 O LYS A 31 -4.198 -5.793 9.978 1.00 1.53 O ATOM 529 CB LYS A 31 -3.005 -4.034 12.801 1.00 1.73 C ATOM 530 CG LYS A 31 -2.851 -4.210 14.304 1.00 1.80 C ATOM 531 CD LYS A 31 -4.166 -4.586 14.963 1.00 2.09 C ATOM 532 CE LYS A 31 -5.181 -3.465 14.853 1.00 2.48 C ATOM 533 NZ LYS A 31 -6.418 -3.768 15.620 1.00 3.02 N ATOM 0 H LYS A 31 -1.693 -4.767 10.487 1.00 1.61 H new ATOM 0 HA LYS A 31 -3.091 -6.202 12.674 1.00 1.66 H new ATOM 0 HB2 LYS A 31 -2.185 -3.417 12.434 1.00 1.73 H new ATOM 0 HB3 LYS A 31 -3.928 -3.488 12.604 1.00 1.73 H new ATOM 0 HG2 LYS A 31 -2.109 -4.982 14.506 1.00 1.80 H new ATOM 0 HG3 LYS A 31 -2.476 -3.285 14.742 1.00 1.80 H new ATOM 0 HD2 LYS A 31 -4.564 -5.487 14.496 1.00 2.09 H new ATOM 0 HD3 LYS A 31 -3.994 -4.821 16.013 1.00 2.09 H new ATOM 0 HE2 LYS A 31 -4.742 -2.538 15.222 1.00 2.48 H new ATOM 0 HE3 LYS A 31 -5.433 -3.303 13.805 1.00 2.48 H new ATOM 0 HZ1 LYS A 31 -7.089 -2.980 15.522 1.00 3.02 H new ATOM 0 HZ2 LYS A 31 -6.851 -4.639 15.251 1.00 3.02 H new ATOM 0 HZ3 LYS A 31 -6.181 -3.898 16.624 1.00 3.02 H new ATOM 547 N GLN A 32 -5.440 -5.065 11.708 1.00 1.67 N ATOM 548 CA GLN A 32 -6.720 -5.015 10.981 1.00 1.66 C ATOM 549 C GLN A 32 -6.729 -3.834 9.994 1.00 1.58 C ATOM 550 O GLN A 32 -5.872 -2.958 10.075 1.00 1.55 O ATOM 551 CB GLN A 32 -7.885 -4.869 11.970 1.00 1.78 C ATOM 552 CG GLN A 32 -8.920 -5.981 11.888 1.00 1.93 C ATOM 553 CD GLN A 32 -9.862 -5.839 10.708 1.00 2.33 C ATOM 554 OE1 GLN A 32 -9.581 -6.319 9.610 1.00 2.95 O ATOM 555 NE2 GLN A 32 -11.001 -5.197 10.935 1.00 2.75 N ATOM 0 H GLN A 32 -5.521 -4.831 12.697 1.00 1.67 H new ATOM 0 HA GLN A 32 -6.837 -5.945 10.424 1.00 1.66 H new ATOM 0 HB2 GLN A 32 -7.484 -4.836 12.983 1.00 1.78 H new ATOM 0 HB3 GLN A 32 -8.380 -3.914 11.792 1.00 1.78 H new ATOM 0 HG2 GLN A 32 -8.407 -6.941 11.821 1.00 1.93 H new ATOM 0 HG3 GLN A 32 -9.502 -5.994 12.809 1.00 1.93 H new ATOM 0 HE21 GLN A 32 -11.195 -4.814 11.860 1.00 2.75 H new ATOM 0 HE22 GLN A 32 -11.683 -5.087 10.184 1.00 2.75 H new ATOM 564 N ILE A 33 -7.722 -3.795 9.094 1.00 1.56 N ATOM 565 CA ILE A 33 -7.811 -2.746 8.064 1.00 1.51 C ATOM 566 C ILE A 33 -7.875 -1.306 8.625 1.00 1.50 C ATOM 567 O ILE A 33 -7.050 -0.477 8.238 1.00 1.47 O ATOM 568 CB ILE A 33 -9.054 -2.990 7.153 1.00 1.53 C ATOM 569 CG1 ILE A 33 -8.742 -4.024 6.061 1.00 1.90 C ATOM 570 CG2 ILE A 33 -9.555 -1.684 6.532 1.00 2.04 C ATOM 571 CD1 ILE A 33 -7.667 -3.587 5.093 1.00 2.36 C ATOM 0 H ILE A 33 -8.478 -4.479 9.057 1.00 1.56 H new ATOM 0 HA ILE A 33 -6.885 -2.820 7.494 1.00 1.51 H new ATOM 0 HB ILE A 33 -9.849 -3.388 7.783 1.00 1.53 H new ATOM 0 HG12 ILE A 33 -8.434 -4.956 6.534 1.00 1.90 H new ATOM 0 HG13 ILE A 33 -9.655 -4.236 5.504 1.00 1.90 H new ATOM 0 HG21 ILE A 33 -10.421 -1.889 5.903 1.00 2.04 H new ATOM 0 HG22 ILE A 33 -9.837 -0.990 7.323 1.00 2.04 H new ATOM 0 HG23 ILE A 33 -8.764 -1.242 5.926 1.00 2.04 H new ATOM 0 HD11 ILE A 33 -7.504 -4.370 4.353 1.00 2.36 H new ATOM 0 HD12 ILE A 33 -7.980 -2.672 4.590 1.00 2.36 H new ATOM 0 HD13 ILE A 33 -6.740 -3.403 5.637 1.00 2.36 H new ATOM 583 N ASN A 34 -8.812 -1.038 9.559 1.00 1.56 N ATOM 584 CA ASN A 34 -9.000 0.311 10.153 1.00 1.58 C ATOM 585 C ASN A 34 -8.820 1.429 9.105 1.00 1.57 C ATOM 586 O ASN A 34 -7.777 2.083 9.050 1.00 1.91 O ATOM 587 CB ASN A 34 -8.049 0.515 11.338 1.00 1.60 C ATOM 588 CG ASN A 34 -8.457 -0.304 12.551 1.00 1.73 C ATOM 589 OD1 ASN A 34 -9.640 -0.566 12.769 1.00 2.14 O ATOM 590 ND2 ASN A 34 -7.476 -0.715 13.345 1.00 2.10 N ATOM 0 H ASN A 34 -9.456 -1.740 9.923 1.00 1.56 H new ATOM 0 HA ASN A 34 -10.026 0.371 10.517 1.00 1.58 H new ATOM 0 HB2 ASN A 34 -7.037 0.240 11.040 1.00 1.60 H new ATOM 0 HB3 ASN A 34 -8.027 1.571 11.606 1.00 1.60 H new ATOM 0 HD21 ASN A 34 -7.689 -1.271 14.173 1.00 2.10 H new ATOM 0 HD22 ASN A 34 -6.509 -0.475 13.127 1.00 2.10 H new ATOM 597 N LEU A 35 -9.864 1.651 8.298 1.00 1.38 N ATOM 598 CA LEU A 35 -9.829 2.638 7.205 1.00 1.34 C ATOM 599 C LEU A 35 -9.633 4.088 7.661 1.00 1.32 C ATOM 600 O LEU A 35 -8.712 4.753 7.192 1.00 1.28 O ATOM 601 CB LEU A 35 -11.115 2.539 6.375 1.00 1.40 C ATOM 602 CG LEU A 35 -11.108 3.278 5.020 1.00 1.43 C ATOM 603 CD1 LEU A 35 -11.473 4.746 5.191 1.00 1.47 C ATOM 604 CD2 LEU A 35 -9.758 3.148 4.327 1.00 1.52 C ATOM 0 H LEU A 35 -10.753 1.157 8.380 1.00 1.38 H new ATOM 0 HA LEU A 35 -8.952 2.385 6.610 1.00 1.34 H new ATOM 0 HB2 LEU A 35 -11.323 1.485 6.190 1.00 1.40 H new ATOM 0 HB3 LEU A 35 -11.940 2.927 6.973 1.00 1.40 H new ATOM 0 HG LEU A 35 -11.863 2.807 4.390 1.00 1.43 H new ATOM 0 HD11 LEU A 35 -11.460 5.240 4.219 1.00 1.47 H new ATOM 0 HD12 LEU A 35 -12.470 4.825 5.624 1.00 1.47 H new ATOM 0 HD13 LEU A 35 -10.751 5.226 5.852 1.00 1.47 H new ATOM 0 HD21 LEU A 35 -9.785 3.679 3.375 1.00 1.52 H new ATOM 0 HD22 LEU A 35 -8.981 3.577 4.960 1.00 1.52 H new ATOM 0 HD23 LEU A 35 -9.540 2.095 4.149 1.00 1.52 H new ATOM 616 N TRP A 36 -10.515 4.582 8.536 1.00 1.37 N ATOM 617 CA TRP A 36 -10.455 5.975 9.003 1.00 1.37 C ATOM 618 C TRP A 36 -9.035 6.402 9.458 1.00 1.32 C ATOM 619 O TRP A 36 -8.646 7.552 9.269 1.00 1.31 O ATOM 620 CB TRP A 36 -11.470 6.206 10.134 1.00 1.45 C ATOM 621 CG TRP A 36 -11.365 5.225 11.263 1.00 1.50 C ATOM 622 CD1 TRP A 36 -11.742 3.913 11.245 1.00 1.55 C ATOM 623 CD2 TRP A 36 -10.862 5.481 12.578 1.00 1.53 C ATOM 624 NE1 TRP A 36 -11.481 3.332 12.459 1.00 1.61 N ATOM 625 CE2 TRP A 36 -10.945 4.274 13.297 1.00 1.60 C ATOM 626 CE3 TRP A 36 -10.344 6.613 13.218 1.00 1.54 C ATOM 627 CZ2 TRP A 36 -10.527 4.165 14.619 1.00 1.66 C ATOM 628 CZ3 TRP A 36 -9.931 6.503 14.532 1.00 1.61 C ATOM 629 CH2 TRP A 36 -10.024 5.286 15.220 1.00 1.66 C ATOM 0 H TRP A 36 -11.280 4.039 8.937 1.00 1.37 H new ATOM 0 HA TRP A 36 -10.712 6.601 8.149 1.00 1.37 H new ATOM 0 HB2 TRP A 36 -11.335 7.213 10.529 1.00 1.45 H new ATOM 0 HB3 TRP A 36 -12.477 6.159 9.719 1.00 1.45 H new ATOM 0 HD1 TRP A 36 -12.182 3.407 10.398 1.00 1.55 H new ATOM 0 HE1 TRP A 36 -11.657 2.357 12.699 1.00 1.61 H new ATOM 0 HE3 TRP A 36 -10.269 7.555 12.695 1.00 1.54 H new ATOM 0 HZ2 TRP A 36 -10.597 3.228 15.152 1.00 1.66 H new ATOM 0 HZ3 TRP A 36 -9.530 7.369 15.037 1.00 1.61 H new ATOM 0 HH2 TRP A 36 -9.692 5.232 16.246 1.00 1.66 H new ATOM 640 N THR A 37 -8.288 5.467 10.055 1.00 1.32 N ATOM 641 CA THR A 37 -6.914 5.700 10.544 1.00 1.29 C ATOM 642 C THR A 37 -5.892 5.775 9.404 1.00 1.23 C ATOM 643 O THR A 37 -5.136 6.743 9.352 1.00 1.21 O ATOM 644 CB THR A 37 -6.481 4.622 11.552 1.00 1.34 C ATOM 645 OG1 THR A 37 -7.349 4.627 12.664 1.00 1.41 O ATOM 646 CG2 THR A 37 -5.078 4.850 12.118 1.00 1.35 C ATOM 0 H THR A 37 -8.619 4.516 10.217 1.00 1.32 H new ATOM 0 HA THR A 37 -6.935 6.668 11.045 1.00 1.29 H new ATOM 0 HB THR A 37 -6.503 3.683 10.999 1.00 1.34 H new ATOM 0 HG1 THR A 37 -7.068 3.937 13.301 1.00 1.41 H new ATOM 0 HG21 THR A 37 -4.836 4.054 12.822 1.00 1.35 H new ATOM 0 HG22 THR A 37 -4.353 4.848 11.304 1.00 1.35 H new ATOM 0 HG23 THR A 37 -5.045 5.811 12.631 1.00 1.35 H new ATOM 654 N MET A 38 -5.868 4.824 8.459 1.00 1.20 N ATOM 655 CA MET A 38 -4.977 4.948 7.285 1.00 1.15 C ATOM 656 C MET A 38 -5.330 6.167 6.412 1.00 1.13 C ATOM 657 O MET A 38 -4.443 6.778 5.820 1.00 1.11 O ATOM 658 CB MET A 38 -4.900 3.659 6.445 1.00 1.14 C ATOM 659 CG MET A 38 -6.233 3.178 5.869 1.00 1.17 C ATOM 660 SD MET A 38 -6.079 2.157 4.378 1.00 1.17 S ATOM 661 CE MET A 38 -6.950 0.648 4.877 1.00 1.25 C ATOM 0 H MET A 38 -6.438 3.978 8.477 1.00 1.20 H new ATOM 0 HA MET A 38 -3.979 5.113 7.691 1.00 1.15 H new ATOM 0 HB2 MET A 38 -4.204 3.821 5.622 1.00 1.14 H new ATOM 0 HB3 MET A 38 -4.482 2.865 7.064 1.00 1.14 H new ATOM 0 HG2 MET A 38 -6.760 2.607 6.633 1.00 1.17 H new ATOM 0 HG3 MET A 38 -6.850 4.047 5.638 1.00 1.17 H new ATOM 0 HE1 MET A 38 -7.043 -0.019 4.020 1.00 1.25 H new ATOM 0 HE2 MET A 38 -6.389 0.148 5.666 1.00 1.25 H new ATOM 0 HE3 MET A 38 -7.943 0.906 5.245 1.00 1.25 H new ATOM 671 N PHE A 39 -6.610 6.557 6.393 1.00 1.17 N ATOM 672 CA PHE A 39 -7.048 7.793 5.750 1.00 1.19 C ATOM 673 C PHE A 39 -6.462 9.036 6.420 1.00 1.20 C ATOM 674 O PHE A 39 -5.716 9.766 5.771 1.00 1.20 O ATOM 675 CB PHE A 39 -8.574 7.867 5.689 1.00 1.25 C ATOM 676 CG PHE A 39 -9.065 9.159 5.060 1.00 1.30 C ATOM 677 CD1 PHE A 39 -8.799 9.424 3.702 1.00 1.30 C ATOM 678 CD2 PHE A 39 -9.741 10.119 5.838 1.00 1.36 C ATOM 679 CE1 PHE A 39 -9.219 10.629 3.119 1.00 1.37 C ATOM 680 CE2 PHE A 39 -10.149 11.333 5.258 1.00 1.43 C ATOM 681 CZ PHE A 39 -9.886 11.590 3.900 1.00 1.44 C ATOM 0 H PHE A 39 -7.366 6.024 6.823 1.00 1.17 H new ATOM 0 HA PHE A 39 -6.665 7.775 4.730 1.00 1.19 H new ATOM 0 HB2 PHE A 39 -8.954 7.020 5.117 1.00 1.25 H new ATOM 0 HB3 PHE A 39 -8.980 7.779 6.697 1.00 1.25 H new ATOM 0 HD1 PHE A 39 -8.269 8.695 3.107 1.00 1.30 H new ATOM 0 HD2 PHE A 39 -9.946 9.923 6.880 1.00 1.36 H new ATOM 0 HE1 PHE A 39 -9.031 10.818 2.073 1.00 1.37 H new ATOM 0 HE2 PHE A 39 -10.665 12.070 5.856 1.00 1.43 H new ATOM 0 HZ PHE A 39 -10.196 12.525 3.457 1.00 1.44 H new ATOM 691 N GLN A 40 -6.725 9.280 7.713 1.00 1.24 N ATOM 692 CA GLN A 40 -6.164 10.477 8.367 1.00 1.27 C ATOM 693 C GLN A 40 -4.622 10.466 8.409 1.00 1.25 C ATOM 694 O GLN A 40 -4.003 11.529 8.341 1.00 1.28 O ATOM 695 CB GLN A 40 -6.801 10.690 9.752 1.00 1.33 C ATOM 696 CG GLN A 40 -6.311 9.690 10.807 1.00 1.33 C ATOM 697 CD GLN A 40 -7.226 9.636 12.025 1.00 1.39 C ATOM 698 OE1 GLN A 40 -6.962 10.210 13.072 1.00 1.44 O ATOM 699 NE2 GLN A 40 -8.327 8.926 11.928 1.00 1.40 N ATOM 0 H GLN A 40 -7.302 8.689 8.311 1.00 1.24 H new ATOM 0 HA GLN A 40 -6.424 11.340 7.754 1.00 1.27 H new ATOM 0 HB2 GLN A 40 -6.583 11.702 10.092 1.00 1.33 H new ATOM 0 HB3 GLN A 40 -7.884 10.610 9.662 1.00 1.33 H new ATOM 0 HG2 GLN A 40 -6.246 8.698 10.361 1.00 1.33 H new ATOM 0 HG3 GLN A 40 -5.305 9.964 11.124 1.00 1.33 H new ATOM 0 HE21 GLN A 40 -8.549 8.446 11.056 1.00 1.40 H new ATOM 0 HE22 GLN A 40 -8.960 8.854 12.725 1.00 1.40 H new ATOM 708 N ALA A 41 -3.992 9.284 8.432 1.00 1.21 N ATOM 709 CA ALA A 41 -2.550 9.140 8.247 1.00 1.20 C ATOM 710 C ALA A 41 -2.105 9.607 6.852 1.00 1.18 C ATOM 711 O ALA A 41 -1.252 10.486 6.750 1.00 1.21 O ATOM 712 CB ALA A 41 -2.151 7.684 8.510 1.00 1.18 C ATOM 0 H ALA A 41 -4.475 8.398 8.581 1.00 1.21 H new ATOM 0 HA ALA A 41 -2.037 9.783 8.962 1.00 1.20 H new ATOM 0 HB1 ALA A 41 -1.076 7.571 8.373 1.00 1.18 H new ATOM 0 HB2 ALA A 41 -2.417 7.413 9.532 1.00 1.18 H new ATOM 0 HB3 ALA A 41 -2.676 7.031 7.813 1.00 1.18 H new ATOM 718 N ALA A 42 -2.719 9.108 5.776 1.00 1.14 N ATOM 719 CA ALA A 42 -2.442 9.569 4.415 1.00 1.14 C ATOM 720 C ALA A 42 -2.668 11.081 4.248 1.00 1.20 C ATOM 721 O ALA A 42 -1.868 11.744 3.600 1.00 1.23 O ATOM 722 CB ALA A 42 -3.287 8.763 3.421 1.00 1.11 C ATOM 0 H ALA A 42 -3.423 8.372 5.825 1.00 1.14 H new ATOM 0 HA ALA A 42 -1.385 9.399 4.209 1.00 1.14 H new ATOM 0 HB1 ALA A 42 -3.081 9.106 2.407 1.00 1.11 H new ATOM 0 HB2 ALA A 42 -3.037 7.705 3.504 1.00 1.11 H new ATOM 0 HB3 ALA A 42 -4.345 8.904 3.644 1.00 1.11 H new ATOM 728 N GLN A 43 -3.702 11.641 4.885 1.00 1.23 N ATOM 729 CA GLN A 43 -3.990 13.079 4.810 1.00 1.31 C ATOM 730 C GLN A 43 -2.939 13.929 5.553 1.00 1.35 C ATOM 731 O GLN A 43 -2.714 15.083 5.184 1.00 1.42 O ATOM 732 CB GLN A 43 -5.412 13.377 5.317 1.00 1.35 C ATOM 733 CG GLN A 43 -6.527 12.778 4.435 1.00 1.35 C ATOM 734 CD GLN A 43 -6.465 13.211 2.968 1.00 1.38 C ATOM 735 OE1 GLN A 43 -6.335 14.382 2.635 1.00 1.45 O ATOM 736 NE2 GLN A 43 -6.533 12.288 2.032 1.00 1.35 N ATOM 0 H GLN A 43 -4.358 11.116 5.463 1.00 1.23 H new ATOM 0 HA GLN A 43 -3.933 13.365 3.760 1.00 1.31 H new ATOM 0 HB2 GLN A 43 -5.515 12.988 6.330 1.00 1.35 H new ATOM 0 HB3 GLN A 43 -5.548 14.457 5.374 1.00 1.35 H new ATOM 0 HG2 GLN A 43 -6.470 11.691 4.484 1.00 1.35 H new ATOM 0 HG3 GLN A 43 -7.495 13.065 4.847 1.00 1.35 H new ATOM 0 HE21 GLN A 43 -6.641 11.307 2.290 1.00 1.35 H new ATOM 0 HE22 GLN A 43 -6.477 12.554 1.049 1.00 1.35 H new ATOM 745 N LYS A 44 -2.244 13.340 6.536 1.00 1.33 N ATOM 746 CA LYS A 44 -1.093 13.986 7.189 1.00 1.39 C ATOM 747 C LYS A 44 0.161 13.866 6.322 1.00 1.39 C ATOM 748 O LYS A 44 0.835 14.866 6.071 1.00 1.45 O ATOM 749 CB LYS A 44 -0.902 13.362 8.582 1.00 1.39 C ATOM 750 CG LYS A 44 0.109 14.138 9.436 1.00 1.47 C ATOM 751 CD LYS A 44 0.397 13.455 10.780 1.00 1.49 C ATOM 752 CE LYS A 44 -0.876 13.212 11.604 1.00 1.49 C ATOM 753 NZ LYS A 44 -0.544 12.706 12.959 1.00 1.53 N ATOM 0 H LYS A 44 -2.459 12.412 6.899 1.00 1.33 H new ATOM 0 HA LYS A 44 -1.281 15.053 7.310 1.00 1.39 H new ATOM 0 HB2 LYS A 44 -1.862 13.331 9.098 1.00 1.39 H new ATOM 0 HB3 LYS A 44 -0.566 12.331 8.472 1.00 1.39 H new ATOM 0 HG2 LYS A 44 1.041 14.245 8.881 1.00 1.47 H new ATOM 0 HG3 LYS A 44 -0.271 15.143 9.618 1.00 1.47 H new ATOM 0 HD2 LYS A 44 0.896 12.503 10.600 1.00 1.49 H new ATOM 0 HD3 LYS A 44 1.086 14.072 11.357 1.00 1.49 H new ATOM 0 HE2 LYS A 44 -1.442 14.140 11.687 1.00 1.49 H new ATOM 0 HE3 LYS A 44 -1.515 12.494 11.090 1.00 1.49 H new ATOM 0 HZ1 LYS A 44 -1.417 12.422 13.447 1.00 1.53 H new ATOM 0 HZ2 LYS A 44 0.090 11.885 12.878 1.00 1.53 H new ATOM 0 HZ3 LYS A 44 -0.071 13.456 13.503 1.00 1.53 H new ATOM 767 N LEU A 45 0.409 12.662 5.804 1.00 1.32 N ATOM 768 CA LEU A 45 1.490 12.417 4.839 1.00 1.32 C ATOM 769 C LEU A 45 1.216 12.981 3.405 1.00 1.34 C ATOM 770 O LEU A 45 1.961 12.657 2.477 1.00 1.34 O ATOM 771 CB LEU A 45 1.884 10.909 4.881 1.00 1.27 C ATOM 772 CG LEU A 45 2.652 10.351 6.119 1.00 1.30 C ATOM 773 CD1 LEU A 45 3.805 11.263 6.544 1.00 1.39 C ATOM 774 CD2 LEU A 45 1.786 10.096 7.350 1.00 1.29 C ATOM 0 H LEU A 45 -0.131 11.829 6.039 1.00 1.32 H new ATOM 0 HA LEU A 45 2.359 12.998 5.146 1.00 1.32 H new ATOM 0 HB2 LEU A 45 0.967 10.329 4.776 1.00 1.27 H new ATOM 0 HB3 LEU A 45 2.493 10.706 4.000 1.00 1.27 H new ATOM 0 HG LEU A 45 3.026 9.391 5.764 1.00 1.30 H new ATOM 0 HD11 LEU A 45 4.309 10.833 7.409 1.00 1.39 H new ATOM 0 HD12 LEU A 45 4.514 11.360 5.722 1.00 1.39 H new ATOM 0 HD13 LEU A 45 3.414 12.247 6.804 1.00 1.39 H new ATOM 0 HD21 LEU A 45 2.407 9.710 8.158 1.00 1.29 H new ATOM 0 HD22 LEU A 45 1.319 11.029 7.666 1.00 1.29 H new ATOM 0 HD23 LEU A 45 1.013 9.367 7.106 1.00 1.29 H new ATOM 786 N GLY A 46 0.199 13.844 3.219 1.00 1.36 N ATOM 787 CA GLY A 46 0.054 14.626 1.961 1.00 1.42 C ATOM 788 C GLY A 46 -1.015 14.158 0.951 1.00 1.40 C ATOM 789 O GLY A 46 -0.912 14.426 -0.250 1.00 1.44 O ATOM 0 H GLY A 46 -0.530 14.021 3.910 1.00 1.36 H new ATOM 0 HA2 GLY A 46 -0.167 15.659 2.230 1.00 1.42 H new ATOM 0 HA3 GLY A 46 1.018 14.628 1.453 1.00 1.42 H new ATOM 793 N GLY A 47 -2.028 13.463 1.461 1.00 1.34 N ATOM 794 CA GLY A 47 -3.017 12.757 0.652 1.00 1.32 C ATOM 795 C GLY A 47 -2.422 11.667 -0.244 1.00 1.28 C ATOM 796 O GLY A 47 -1.204 11.533 -0.395 1.00 1.27 O ATOM 0 H GLY A 47 -2.187 13.373 2.464 1.00 1.34 H new ATOM 0 HA2 GLY A 47 -3.758 12.306 1.313 1.00 1.32 H new ATOM 0 HA3 GLY A 47 -3.544 13.479 0.028 1.00 1.32 H new ATOM 800 N TYR A 48 -3.307 10.910 -0.899 1.00 1.27 N ATOM 801 CA TYR A 48 -2.902 9.952 -1.938 1.00 1.26 C ATOM 802 C TYR A 48 -2.024 10.573 -3.048 1.00 1.32 C ATOM 803 O TYR A 48 -1.274 9.862 -3.717 1.00 1.31 O ATOM 804 CB TYR A 48 -4.158 9.301 -2.526 1.00 1.28 C ATOM 805 CG TYR A 48 -3.894 8.041 -3.331 1.00 1.26 C ATOM 806 CD1 TYR A 48 -3.701 6.815 -2.667 1.00 1.20 C ATOM 807 CD2 TYR A 48 -3.851 8.091 -4.739 1.00 1.33 C ATOM 808 CE1 TYR A 48 -3.501 5.632 -3.402 1.00 1.21 C ATOM 809 CE2 TYR A 48 -3.633 6.912 -5.477 1.00 1.33 C ATOM 810 CZ TYR A 48 -3.469 5.680 -4.812 1.00 1.27 C ATOM 811 OH TYR A 48 -3.287 4.544 -5.538 1.00 1.29 O ATOM 0 H TYR A 48 -4.312 10.941 -0.729 1.00 1.27 H new ATOM 0 HA TYR A 48 -2.271 9.200 -1.465 1.00 1.26 H new ATOM 0 HB2 TYR A 48 -4.843 9.061 -1.712 1.00 1.28 H new ATOM 0 HB3 TYR A 48 -4.663 10.026 -3.164 1.00 1.28 H new ATOM 0 HD1 TYR A 48 -3.706 6.782 -1.588 1.00 1.20 H new ATOM 0 HD2 TYR A 48 -3.985 9.032 -5.251 1.00 1.33 H new ATOM 0 HE1 TYR A 48 -3.372 4.690 -2.889 1.00 1.21 H new ATOM 0 HE2 TYR A 48 -3.591 6.952 -6.555 1.00 1.33 H new ATOM 0 HH TYR A 48 -3.293 4.762 -6.493 1.00 1.29 H new ATOM 821 N GLU A 49 -2.073 11.896 -3.240 1.00 1.39 N ATOM 822 CA GLU A 49 -1.328 12.557 -4.322 1.00 1.47 C ATOM 823 C GLU A 49 0.164 12.709 -4.005 1.00 1.46 C ATOM 824 O GLU A 49 1.001 12.318 -4.824 1.00 1.48 O ATOM 825 CB GLU A 49 -1.963 13.918 -4.635 1.00 1.57 C ATOM 826 CG GLU A 49 -3.266 13.729 -5.419 1.00 1.61 C ATOM 827 CD GLU A 49 -4.042 15.047 -5.549 1.00 1.71 C ATOM 828 OE1 GLU A 49 -3.619 15.947 -6.315 1.00 1.80 O ATOM 829 OE2 GLU A 49 -5.102 15.170 -4.890 1.00 1.72 O ATOM 0 H GLU A 49 -2.621 12.532 -2.661 1.00 1.39 H new ATOM 0 HA GLU A 49 -1.391 11.917 -5.202 1.00 1.47 H new ATOM 0 HB2 GLU A 49 -2.163 14.455 -3.708 1.00 1.57 H new ATOM 0 HB3 GLU A 49 -1.268 14.527 -5.213 1.00 1.57 H new ATOM 0 HG2 GLU A 49 -3.041 13.339 -6.412 1.00 1.61 H new ATOM 0 HG3 GLU A 49 -3.888 12.987 -4.919 1.00 1.61 H new ATOM 836 N THR A 50 0.530 13.187 -2.807 1.00 1.44 N ATOM 837 CA THR A 50 1.929 13.156 -2.348 1.00 1.45 C ATOM 838 C THR A 50 2.404 11.714 -2.193 1.00 1.37 C ATOM 839 O THR A 50 3.534 11.393 -2.560 1.00 1.40 O ATOM 840 CB THR A 50 2.138 13.916 -1.029 1.00 1.46 C ATOM 841 OG1 THR A 50 1.691 15.250 -1.163 1.00 1.54 O ATOM 842 CG2 THR A 50 3.608 13.998 -0.612 1.00 1.50 C ATOM 0 H THR A 50 -0.121 13.599 -2.138 1.00 1.44 H new ATOM 0 HA THR A 50 2.521 13.661 -3.111 1.00 1.45 H new ATOM 0 HB THR A 50 1.577 13.361 -0.277 1.00 1.46 H new ATOM 0 HG1 THR A 50 0.748 15.306 -0.904 1.00 1.54 H new ATOM 0 HG21 THR A 50 3.690 14.546 0.326 1.00 1.50 H new ATOM 0 HG22 THR A 50 4.005 12.992 -0.480 1.00 1.50 H new ATOM 0 HG23 THR A 50 4.177 14.515 -1.385 1.00 1.50 H new ATOM 850 N ILE A 51 1.523 10.818 -1.733 1.00 1.30 N ATOM 851 CA ILE A 51 1.817 9.379 -1.670 1.00 1.24 C ATOM 852 C ILE A 51 2.223 8.810 -3.040 1.00 1.27 C ATOM 853 O ILE A 51 3.217 8.093 -3.127 1.00 1.27 O ATOM 854 CB ILE A 51 0.614 8.650 -1.013 1.00 1.18 C ATOM 855 CG1 ILE A 51 0.887 8.325 0.467 1.00 1.14 C ATOM 856 CG2 ILE A 51 0.175 7.370 -1.733 1.00 1.15 C ATOM 857 CD1 ILE A 51 0.882 9.570 1.365 1.00 1.17 C ATOM 0 H ILE A 51 0.593 11.066 -1.396 1.00 1.30 H new ATOM 0 HA ILE A 51 2.691 9.208 -1.042 1.00 1.24 H new ATOM 0 HB ILE A 51 -0.207 9.361 -1.097 1.00 1.18 H new ATOM 0 HG12 ILE A 51 0.133 7.623 0.824 1.00 1.14 H new ATOM 0 HG13 ILE A 51 1.853 7.826 0.552 1.00 1.14 H new ATOM 0 HG21 ILE A 51 -0.670 6.927 -1.206 1.00 1.15 H new ATOM 0 HG22 ILE A 51 -0.120 7.610 -2.754 1.00 1.15 H new ATOM 0 HG23 ILE A 51 1.003 6.661 -1.752 1.00 1.15 H new ATOM 0 HD11 ILE A 51 1.080 9.276 2.396 1.00 1.17 H new ATOM 0 HD12 ILE A 51 1.654 10.263 1.031 1.00 1.17 H new ATOM 0 HD13 ILE A 51 -0.092 10.056 1.307 1.00 1.17 H new ATOM 869 N THR A 52 1.502 9.151 -4.105 1.00 1.30 N ATOM 870 CA THR A 52 1.822 8.663 -5.461 1.00 1.35 C ATOM 871 C THR A 52 3.062 9.343 -6.037 1.00 1.42 C ATOM 872 O THR A 52 3.879 8.678 -6.680 1.00 1.45 O ATOM 873 CB THR A 52 0.612 8.845 -6.390 1.00 1.39 C ATOM 874 OG1 THR A 52 -0.452 8.076 -5.876 1.00 1.34 O ATOM 875 CG2 THR A 52 0.850 8.335 -7.812 1.00 1.45 C ATOM 0 H THR A 52 0.688 9.765 -4.064 1.00 1.30 H new ATOM 0 HA THR A 52 2.051 7.600 -5.386 1.00 1.35 H new ATOM 0 HB THR A 52 0.410 9.915 -6.432 1.00 1.39 H new ATOM 0 HG1 THR A 52 -0.856 8.544 -5.116 1.00 1.34 H new ATOM 0 HG21 THR A 52 -0.046 8.496 -8.411 1.00 1.45 H new ATOM 0 HG22 THR A 52 1.686 8.875 -8.257 1.00 1.45 H new ATOM 0 HG23 THR A 52 1.080 7.270 -7.783 1.00 1.45 H new ATOM 883 N ALA A 53 3.256 10.630 -5.748 1.00 1.47 N ATOM 884 CA ALA A 53 4.457 11.357 -6.161 1.00 1.55 C ATOM 885 C ALA A 53 5.744 10.911 -5.429 1.00 1.54 C ATOM 886 O ALA A 53 6.835 11.129 -5.967 1.00 1.61 O ATOM 887 CB ALA A 53 4.199 12.854 -5.947 1.00 1.61 C ATOM 0 H ALA A 53 2.589 11.196 -5.224 1.00 1.47 H new ATOM 0 HA ALA A 53 4.641 11.133 -7.212 1.00 1.55 H new ATOM 0 HB1 ALA A 53 5.080 13.422 -6.247 1.00 1.61 H new ATOM 0 HB2 ALA A 53 3.344 13.165 -6.548 1.00 1.61 H new ATOM 0 HB3 ALA A 53 3.989 13.040 -4.894 1.00 1.61 H new ATOM 893 N ARG A 54 5.638 10.300 -4.233 1.00 1.47 N ATOM 894 CA ARG A 54 6.825 10.059 -3.370 1.00 1.49 C ATOM 895 C ARG A 54 6.971 8.643 -2.790 1.00 1.44 C ATOM 896 O ARG A 54 8.003 8.361 -2.181 1.00 1.48 O ATOM 897 CB ARG A 54 6.811 11.075 -2.206 1.00 1.51 C ATOM 898 CG ARG A 54 6.863 12.564 -2.599 1.00 1.59 C ATOM 899 CD ARG A 54 8.165 12.983 -3.304 1.00 1.68 C ATOM 900 NE ARG A 54 9.365 12.746 -2.474 1.00 1.72 N ATOM 901 CZ ARG A 54 9.825 13.501 -1.492 1.00 1.77 C ATOM 902 NH1 ARG A 54 9.241 14.607 -1.124 1.00 1.79 N ATOM 903 NH2 ARG A 54 10.903 13.154 -0.848 1.00 1.82 N ATOM 0 H ARG A 54 4.758 9.966 -3.841 1.00 1.47 H new ATOM 0 HA ARG A 54 7.682 10.181 -4.032 1.00 1.49 H new ATOM 0 HB2 ARG A 54 5.909 10.908 -1.617 1.00 1.51 H new ATOM 0 HB3 ARG A 54 7.660 10.863 -1.556 1.00 1.51 H new ATOM 0 HG2 ARG A 54 6.020 12.785 -3.254 1.00 1.59 H new ATOM 0 HG3 ARG A 54 6.737 13.170 -1.702 1.00 1.59 H new ATOM 0 HD2 ARG A 54 8.261 12.432 -4.239 1.00 1.68 H new ATOM 0 HD3 ARG A 54 8.110 14.041 -3.562 1.00 1.68 H new ATOM 0 HE ARG A 54 9.899 11.903 -2.683 1.00 1.72 H new ATOM 0 HH11 ARG A 54 8.395 14.920 -1.600 1.00 1.79 H new ATOM 0 HH12 ARG A 54 9.630 15.160 -0.360 1.00 1.79 H new ATOM 0 HH21 ARG A 54 11.395 12.297 -1.101 1.00 1.82 H new ATOM 0 HH22 ARG A 54 11.255 13.739 -0.091 1.00 1.82 H new ATOM 917 N ARG A 55 5.982 7.753 -2.962 1.00 1.37 N ATOM 918 CA ARG A 55 5.875 6.442 -2.273 1.00 1.32 C ATOM 919 C ARG A 55 6.011 6.635 -0.758 1.00 1.31 C ATOM 920 O ARG A 55 6.858 6.057 -0.077 1.00 1.35 O ATOM 921 CB ARG A 55 6.819 5.391 -2.905 1.00 1.37 C ATOM 922 CG ARG A 55 6.811 5.373 -4.449 1.00 1.40 C ATOM 923 CD ARG A 55 5.426 5.153 -5.089 1.00 1.35 C ATOM 924 NE ARG A 55 5.202 6.060 -6.237 1.00 1.40 N ATOM 925 CZ ARG A 55 5.605 5.913 -7.483 1.00 1.46 C ATOM 926 NH1 ARG A 55 6.287 4.879 -7.889 1.00 1.49 N ATOM 927 NH2 ARG A 55 5.320 6.838 -8.351 1.00 1.51 N ATOM 0 H ARG A 55 5.207 7.924 -3.603 1.00 1.37 H new ATOM 0 HA ARG A 55 4.882 6.017 -2.422 1.00 1.32 H new ATOM 0 HB2 ARG A 55 7.836 5.580 -2.561 1.00 1.37 H new ATOM 0 HB3 ARG A 55 6.538 4.403 -2.541 1.00 1.37 H new ATOM 0 HG2 ARG A 55 7.216 6.318 -4.811 1.00 1.40 H new ATOM 0 HG3 ARG A 55 7.483 4.586 -4.792 1.00 1.40 H new ATOM 0 HD2 ARG A 55 5.339 4.118 -5.421 1.00 1.35 H new ATOM 0 HD3 ARG A 55 4.650 5.315 -4.341 1.00 1.35 H new ATOM 0 HE ARG A 55 4.668 6.906 -6.039 1.00 1.40 H new ATOM 0 HH11 ARG A 55 6.531 4.139 -7.231 1.00 1.49 H new ATOM 0 HH12 ARG A 55 6.577 4.810 -8.865 1.00 1.49 H new ATOM 0 HH21 ARG A 55 4.792 7.662 -8.063 1.00 1.51 H new ATOM 0 HH22 ARG A 55 5.624 6.740 -9.320 1.00 1.51 H new ATOM 941 N GLN A 56 5.125 7.507 -0.267 1.00 1.28 N ATOM 942 CA GLN A 56 5.168 7.969 1.125 1.00 1.29 C ATOM 943 C GLN A 56 4.480 6.992 2.103 1.00 1.24 C ATOM 944 O GLN A 56 4.468 7.254 3.304 1.00 1.25 O ATOM 945 CB GLN A 56 4.585 9.395 1.228 1.00 1.30 C ATOM 946 CG GLN A 56 5.323 10.301 2.231 1.00 1.37 C ATOM 947 CD GLN A 56 6.528 11.013 1.610 1.00 1.46 C ATOM 948 OE1 GLN A 56 7.751 10.603 1.873 1.00 1.49 O flip ATOM 949 NE2 GLN A 56 6.390 11.975 0.868 1.00 1.51 N flip ATOM 0 H GLN A 56 4.365 7.909 -0.816 1.00 1.28 H new ATOM 0 HA GLN A 56 6.214 7.998 1.430 1.00 1.29 H new ATOM 0 HB2 GLN A 56 4.615 9.861 0.243 1.00 1.30 H new ATOM 0 HB3 GLN A 56 3.536 9.328 1.518 1.00 1.30 H new ATOM 0 HG2 GLN A 56 4.628 11.045 2.621 1.00 1.37 H new ATOM 0 HG3 GLN A 56 5.657 9.702 3.078 1.00 1.37 H new ATOM 0 HE21 GLN A 56 5.455 12.317 0.645 1.00 1.51 H new ATOM 0 HE22 GLN A 56 7.210 12.436 0.472 1.00 1.51 H new ATOM 958 N TRP A 57 3.944 5.850 1.638 1.00 1.19 N ATOM 959 CA TRP A 57 3.375 4.801 2.501 1.00 1.17 C ATOM 960 C TRP A 57 4.339 4.313 3.584 1.00 1.24 C ATOM 961 O TRP A 57 3.896 4.018 4.692 1.00 1.24 O ATOM 962 CB TRP A 57 2.860 3.608 1.687 1.00 1.15 C ATOM 963 CG TRP A 57 1.626 3.881 0.900 1.00 1.11 C ATOM 964 CD1 TRP A 57 1.572 4.188 -0.413 1.00 1.11 C ATOM 965 CD2 TRP A 57 0.249 3.879 1.380 1.00 1.07 C ATOM 966 NE1 TRP A 57 0.258 4.402 -0.768 1.00 1.09 N ATOM 967 CE2 TRP A 57 -0.602 4.242 0.296 1.00 1.07 C ATOM 968 CE3 TRP A 57 -0.363 3.624 2.625 1.00 1.07 C ATOM 969 CZ2 TRP A 57 -1.989 4.377 0.448 1.00 1.06 C ATOM 970 CZ3 TRP A 57 -1.754 3.740 2.786 1.00 1.06 C ATOM 971 CH2 TRP A 57 -2.561 4.121 1.703 1.00 1.06 C ATOM 0 H TRP A 57 3.893 5.628 0.644 1.00 1.19 H new ATOM 0 HA TRP A 57 2.534 5.276 3.006 1.00 1.17 H new ATOM 0 HB2 TRP A 57 3.646 3.284 1.005 1.00 1.15 H new ATOM 0 HB3 TRP A 57 2.666 2.778 2.366 1.00 1.15 H new ATOM 0 HD1 TRP A 57 2.421 4.255 -1.077 1.00 1.11 H new ATOM 0 HE1 TRP A 57 -0.043 4.650 -1.710 1.00 1.09 H new ATOM 0 HE3 TRP A 57 0.247 3.335 3.468 1.00 1.07 H new ATOM 0 HZ2 TRP A 57 -2.607 4.673 -0.387 1.00 1.06 H new ATOM 0 HZ3 TRP A 57 -2.204 3.535 3.746 1.00 1.06 H new ATOM 0 HH2 TRP A 57 -3.628 4.218 1.836 1.00 1.06 H new ATOM 982 N LYS A 58 5.632 4.346 3.341 1.00 1.32 N ATOM 983 CA LYS A 58 6.577 3.960 4.378 1.00 1.42 C ATOM 984 C LYS A 58 6.467 4.926 5.574 1.00 1.43 C ATOM 985 O LYS A 58 6.777 4.564 6.709 1.00 1.51 O ATOM 986 CB LYS A 58 7.994 3.907 3.817 1.00 1.54 C ATOM 987 CG LYS A 58 8.125 2.930 2.661 1.00 1.98 C ATOM 988 CD LYS A 58 7.570 1.556 3.018 1.00 2.07 C ATOM 989 CE LYS A 58 7.622 0.611 1.832 1.00 2.58 C ATOM 990 NZ LYS A 58 9.019 0.277 1.456 1.00 2.89 N ATOM 0 H LYS A 58 6.051 4.629 2.455 1.00 1.32 H new ATOM 0 HA LYS A 58 6.334 2.959 4.734 1.00 1.42 H new ATOM 0 HB2 LYS A 58 8.286 4.902 3.482 1.00 1.54 H new ATOM 0 HB3 LYS A 58 8.685 3.621 4.610 1.00 1.54 H new ATOM 0 HG2 LYS A 58 7.596 3.321 1.792 1.00 1.98 H new ATOM 0 HG3 LYS A 58 9.174 2.837 2.380 1.00 1.98 H new ATOM 0 HD2 LYS A 58 8.141 1.135 3.845 1.00 2.07 H new ATOM 0 HD3 LYS A 58 6.540 1.656 3.360 1.00 2.07 H new ATOM 0 HE2 LYS A 58 7.081 -0.304 2.072 1.00 2.58 H new ATOM 0 HE3 LYS A 58 7.115 1.067 0.981 1.00 2.58 H new ATOM 0 HZ1 LYS A 58 9.060 -0.702 1.108 1.00 2.89 H new ATOM 0 HZ2 LYS A 58 9.342 0.924 0.709 1.00 2.89 H new ATOM 0 HZ3 LYS A 58 9.635 0.374 2.288 1.00 2.89 H new ATOM 1004 N HIS A 59 6.040 6.166 5.293 1.00 1.39 N ATOM 1005 CA HIS A 59 5.834 7.190 6.327 1.00 1.40 C ATOM 1006 C HIS A 59 4.506 6.959 7.082 1.00 1.32 C ATOM 1007 O HIS A 59 4.402 7.270 8.265 1.00 1.35 O ATOM 1008 CB HIS A 59 5.933 8.586 5.715 1.00 1.43 C ATOM 1009 CG HIS A 59 7.296 8.870 5.141 1.00 1.58 C ATOM 1010 ND1 HIS A 59 7.992 8.247 4.155 1.00 1.81 N flip ATOM 1011 CD2 HIS A 59 8.114 9.881 5.598 1.00 1.59 C flip ATOM 1012 CE1 HIS A 59 9.203 8.885 4.037 1.00 1.93 C flip ATOM 1013 NE2 HIS A 59 9.249 9.869 4.917 1.00 1.79 N flip ATOM 0 H HIS A 59 5.829 6.486 4.348 1.00 1.39 H new ATOM 0 HA HIS A 59 6.626 7.108 7.072 1.00 1.40 H new ATOM 0 HB2 HIS A 59 5.183 8.689 4.930 1.00 1.43 H new ATOM 0 HB3 HIS A 59 5.701 9.330 6.477 1.00 1.43 H new ATOM 0 HD2 HIS A 59 7.867 10.575 6.388 1.00 1.59 H new ATOM 0 HE1 HIS A 59 9.987 8.625 3.341 1.00 1.93 H new ATOM 0 HE2 HIS A 59 10.029 10.512 5.050 1.00 1.79 H new ATOM 1022 N ILE A 60 3.474 6.475 6.370 1.00 1.23 N ATOM 1023 CA ILE A 60 2.203 6.076 6.996 1.00 1.20 C ATOM 1024 C ILE A 60 2.522 4.938 7.960 1.00 1.27 C ATOM 1025 O ILE A 60 2.105 5.014 9.105 1.00 1.33 O ATOM 1026 CB ILE A 60 1.114 5.709 5.965 1.00 1.15 C ATOM 1027 CG1 ILE A 60 0.647 7.008 5.268 1.00 1.14 C ATOM 1028 CG2 ILE A 60 -0.071 4.987 6.639 1.00 1.18 C ATOM 1029 CD1 ILE A 60 -0.282 6.783 4.075 1.00 1.14 C ATOM 0 H ILE A 60 3.496 6.351 5.358 1.00 1.23 H new ATOM 0 HA ILE A 60 1.770 6.916 7.539 1.00 1.20 H new ATOM 0 HB ILE A 60 1.526 5.021 5.227 1.00 1.15 H new ATOM 0 HG12 ILE A 60 0.136 7.635 5.999 1.00 1.14 H new ATOM 0 HG13 ILE A 60 1.524 7.561 4.931 1.00 1.14 H new ATOM 0 HG21 ILE A 60 -0.822 4.741 5.888 1.00 1.18 H new ATOM 0 HG22 ILE A 60 0.283 4.071 7.112 1.00 1.18 H new ATOM 0 HG23 ILE A 60 -0.512 5.638 7.394 1.00 1.18 H new ATOM 0 HD11 ILE A 60 -0.562 7.745 3.645 1.00 1.14 H new ATOM 0 HD12 ILE A 60 0.231 6.184 3.322 1.00 1.14 H new ATOM 0 HD13 ILE A 60 -1.179 6.259 4.406 1.00 1.14 H new ATOM 1041 N TYR A 61 3.354 3.965 7.569 1.00 1.31 N ATOM 1042 CA TYR A 61 3.919 2.949 8.470 1.00 1.43 C ATOM 1043 C TYR A 61 4.618 3.566 9.704 1.00 1.53 C ATOM 1044 O TYR A 61 4.575 3.000 10.797 1.00 1.64 O ATOM 1045 CB TYR A 61 4.871 2.053 7.662 1.00 1.46 C ATOM 1046 CG TYR A 61 5.684 1.053 8.462 1.00 1.62 C ATOM 1047 CD1 TYR A 61 5.119 -0.177 8.858 1.00 1.68 C ATOM 1048 CD2 TYR A 61 7.027 1.342 8.775 1.00 1.73 C ATOM 1049 CE1 TYR A 61 5.896 -1.119 9.563 1.00 1.84 C ATOM 1050 CE2 TYR A 61 7.807 0.404 9.478 1.00 1.89 C ATOM 1051 CZ TYR A 61 7.244 -0.830 9.871 1.00 1.94 C ATOM 1052 OH TYR A 61 8.018 -1.730 10.536 1.00 2.11 O ATOM 0 H TYR A 61 3.660 3.858 6.602 1.00 1.31 H new ATOM 0 HA TYR A 61 3.104 2.348 8.874 1.00 1.43 H new ATOM 0 HB2 TYR A 61 4.284 1.506 6.924 1.00 1.46 H new ATOM 0 HB3 TYR A 61 5.560 2.693 7.111 1.00 1.46 H new ATOM 0 HD1 TYR A 61 4.089 -0.398 8.621 1.00 1.68 H new ATOM 0 HD2 TYR A 61 7.459 2.285 8.475 1.00 1.73 H new ATOM 0 HE1 TYR A 61 5.461 -2.060 9.867 1.00 1.84 H new ATOM 0 HE2 TYR A 61 8.836 0.628 9.717 1.00 1.89 H new ATOM 0 HH TYR A 61 7.759 -2.639 10.276 1.00 2.11 H new ATOM 1062 N ASP A 62 5.193 4.761 9.523 1.00 1.52 N ATOM 1063 CA ASP A 62 5.763 5.537 10.637 1.00 1.62 C ATOM 1064 C ASP A 62 4.678 6.024 11.613 1.00 1.61 C ATOM 1065 O ASP A 62 4.759 5.751 12.812 1.00 1.72 O ATOM 1066 CB ASP A 62 6.690 6.667 10.167 1.00 1.65 C ATOM 1067 CG ASP A 62 7.515 7.219 11.341 1.00 1.79 C ATOM 1068 OD1 ASP A 62 8.503 6.565 11.749 1.00 1.92 O ATOM 1069 OD2 ASP A 62 7.188 8.318 11.852 1.00 1.79 O ATOM 0 H ASP A 62 5.277 5.215 8.613 1.00 1.52 H new ATOM 0 HA ASP A 62 6.400 4.852 11.196 1.00 1.62 H new ATOM 0 HB2 ASP A 62 7.358 6.296 9.390 1.00 1.65 H new ATOM 0 HB3 ASP A 62 6.099 7.468 9.724 1.00 1.65 H new ATOM 1074 N GLU A 63 3.616 6.661 11.107 1.00 1.50 N ATOM 1075 CA GLU A 63 2.447 7.016 11.930 1.00 1.50 C ATOM 1076 C GLU A 63 1.691 5.799 12.524 1.00 1.56 C ATOM 1077 O GLU A 63 1.232 5.868 13.665 1.00 1.66 O ATOM 1078 CB GLU A 63 1.513 7.908 11.097 1.00 1.41 C ATOM 1079 CG GLU A 63 0.270 8.415 11.846 1.00 1.44 C ATOM 1080 CD GLU A 63 0.585 9.249 13.101 1.00 1.53 C ATOM 1081 OE1 GLU A 63 1.456 10.149 13.041 1.00 1.53 O ATOM 1082 OE2 GLU A 63 -0.105 9.092 14.135 1.00 1.61 O ATOM 0 H GLU A 63 3.539 6.943 10.130 1.00 1.50 H new ATOM 0 HA GLU A 63 2.814 7.557 12.802 1.00 1.50 H new ATOM 0 HB2 GLU A 63 2.079 8.767 10.738 1.00 1.41 H new ATOM 0 HB3 GLU A 63 1.188 7.350 10.219 1.00 1.41 H new ATOM 0 HG2 GLU A 63 -0.330 9.018 11.164 1.00 1.44 H new ATOM 0 HG3 GLU A 63 -0.340 7.559 12.136 1.00 1.44 H new ATOM 1089 N LEU A 64 1.597 4.670 11.803 1.00 1.54 N ATOM 1090 CA LEU A 64 1.037 3.402 12.307 1.00 1.64 C ATOM 1091 C LEU A 64 1.866 2.819 13.467 1.00 1.79 C ATOM 1092 O LEU A 64 1.329 2.065 14.284 1.00 1.90 O ATOM 1093 CB LEU A 64 0.948 2.332 11.187 1.00 1.59 C ATOM 1094 CG LEU A 64 0.017 2.621 9.997 1.00 1.48 C ATOM 1095 CD1 LEU A 64 0.052 1.455 9.009 1.00 1.46 C ATOM 1096 CD2 LEU A 64 -1.431 2.877 10.418 1.00 1.53 C ATOM 0 H LEU A 64 1.914 4.610 10.835 1.00 1.54 H new ATOM 0 HA LEU A 64 0.037 3.644 12.668 1.00 1.64 H new ATOM 0 HB2 LEU A 64 1.953 2.171 10.796 1.00 1.59 H new ATOM 0 HB3 LEU A 64 0.629 1.395 11.643 1.00 1.59 H new ATOM 0 HG LEU A 64 0.388 3.533 9.528 1.00 1.48 H new ATOM 0 HD11 LEU A 64 -0.610 1.669 8.170 1.00 1.46 H new ATOM 0 HD12 LEU A 64 1.070 1.319 8.643 1.00 1.46 H new ATOM 0 HD13 LEU A 64 -0.278 0.544 9.509 1.00 1.46 H new ATOM 0 HD21 LEU A 64 -2.037 3.075 9.534 1.00 1.53 H new ATOM 0 HD22 LEU A 64 -1.820 2.000 10.936 1.00 1.53 H new ATOM 0 HD23 LEU A 64 -1.469 3.739 11.084 1.00 1.53 H new ATOM 1108 N GLY A 65 3.142 2.688 13.252 1.00 1.82 N ATOM 1109 CA GLY A 65 3.934 2.072 14.295 1.00 2.01 C ATOM 1110 C GLY A 65 5.074 1.286 13.685 1.00 2.12 C ATOM 1111 O GLY A 65 5.286 1.344 12.484 1.00 1.99 O ATOM 0 H GLY A 65 3.644 2.979 12.413 1.00 1.82 H new ATOM 0 HA2 GLY A 65 4.327 2.837 14.964 1.00 2.01 H new ATOM 0 HA3 GLY A 65 3.308 1.413 14.897 1.00 2.01 H new ATOM 1115 N GLY A 66 5.778 0.504 14.474 1.00 2.43 N ATOM 1116 CA GLY A 66 6.805 -0.338 13.890 1.00 2.61 C ATOM 1117 C GLY A 66 6.353 -1.804 13.752 1.00 2.81 C ATOM 1118 O GLY A 66 5.684 -2.327 14.637 1.00 3.02 O ATOM 0 H GLY A 66 5.667 0.431 15.485 1.00 2.43 H new ATOM 0 HA2 GLY A 66 7.075 0.050 12.908 1.00 2.61 H new ATOM 0 HA3 GLY A 66 7.702 -0.294 14.507 1.00 2.61 H new ATOM 1122 N ASN A 67 6.740 -2.472 12.655 1.00 2.79 N ATOM 1123 CA ASN A 67 6.429 -3.906 12.431 1.00 3.02 C ATOM 1124 C ASN A 67 7.746 -4.658 12.165 1.00 3.12 C ATOM 1125 O ASN A 67 8.238 -4.679 11.034 1.00 2.83 O ATOM 1126 CB ASN A 67 5.443 -4.110 11.251 1.00 2.85 C ATOM 1127 CG ASN A 67 5.048 -5.572 11.034 1.00 3.14 C ATOM 1128 OD1 ASN A 67 4.913 -6.331 11.990 1.00 3.57 O ATOM 1129 ND2 ASN A 67 4.858 -5.974 9.773 1.00 3.34 N ATOM 0 H ASN A 67 7.274 -2.044 11.899 1.00 2.79 H new ATOM 0 HA ASN A 67 5.940 -4.300 13.322 1.00 3.02 H new ATOM 0 HB2 ASN A 67 4.544 -3.522 11.433 1.00 2.85 H new ATOM 0 HB3 ASN A 67 5.896 -3.725 10.338 1.00 2.85 H new ATOM 0 HD21 ASN A 67 4.592 -6.940 9.580 1.00 3.34 H new ATOM 0 HD22 ASN A 67 4.979 -5.315 9.004 1.00 3.34 H new ATOM 1136 N PRO A 68 8.338 -5.284 13.215 1.00 3.59 N ATOM 1137 CA PRO A 68 9.639 -5.993 13.121 1.00 3.82 C ATOM 1138 C PRO A 68 9.743 -7.058 12.014 1.00 3.69 C ATOM 1139 O PRO A 68 8.899 -7.949 11.905 1.00 3.80 O ATOM 1140 CB PRO A 68 9.808 -6.660 14.498 1.00 4.46 C ATOM 1141 CG PRO A 68 8.498 -6.517 15.206 1.00 4.52 C ATOM 1142 CD PRO A 68 7.789 -5.345 14.582 1.00 3.98 C ATOM 0 HA PRO A 68 10.415 -5.275 12.856 1.00 3.82 H new ATOM 0 HB2 PRO A 68 10.077 -7.711 14.389 1.00 4.46 H new ATOM 0 HB3 PRO A 68 10.608 -6.183 15.064 1.00 4.46 H new ATOM 0 HG2 PRO A 68 7.904 -7.425 15.106 1.00 4.52 H new ATOM 0 HG3 PRO A 68 8.651 -6.352 16.272 1.00 4.52 H new ATOM 0 HD2 PRO A 68 6.709 -5.491 14.572 1.00 3.98 H new ATOM 0 HD3 PRO A 68 7.981 -4.423 15.131 1.00 3.98 H new ATOM 1150 N GLY A 69 10.806 -6.946 11.198 1.00 3.53 N ATOM 1151 CA GLY A 69 11.067 -7.917 10.136 1.00 3.44 C ATOM 1152 C GLY A 69 10.634 -7.476 8.750 1.00 2.86 C ATOM 1153 O GLY A 69 10.944 -8.145 7.758 1.00 2.82 O ATOM 0 H GLY A 69 11.492 -6.194 11.258 1.00 3.53 H new ATOM 0 HA2 GLY A 69 12.135 -8.134 10.116 1.00 3.44 H new ATOM 0 HA3 GLY A 69 10.557 -8.849 10.381 1.00 3.44 H new ATOM 1157 N SER A 70 9.917 -6.362 8.666 1.00 2.44 N ATOM 1158 CA SER A 70 9.441 -5.865 7.380 1.00 2.00 C ATOM 1159 C SER A 70 9.982 -4.472 7.063 1.00 1.53 C ATOM 1160 O SER A 70 9.876 -3.552 7.875 1.00 1.46 O ATOM 1161 CB SER A 70 7.914 -5.830 7.372 1.00 2.18 C ATOM 1162 OG SER A 70 7.375 -7.133 7.487 1.00 2.80 O ATOM 0 H SER A 70 9.653 -5.788 9.467 1.00 2.44 H new ATOM 0 HA SER A 70 9.807 -6.547 6.612 1.00 2.00 H new ATOM 0 HB2 SER A 70 7.557 -5.211 8.195 1.00 2.18 H new ATOM 0 HB3 SER A 70 7.562 -5.368 6.450 1.00 2.18 H new ATOM 0 HG SER A 70 8.078 -7.794 7.318 1.00 2.80 H new ATOM 1168 N THR A 71 10.559 -4.322 5.873 1.00 1.44 N ATOM 1169 CA THR A 71 11.068 -3.033 5.423 1.00 1.46 C ATOM 1170 C THR A 71 10.072 -2.426 4.429 1.00 1.45 C ATOM 1171 O THR A 71 10.199 -1.274 4.013 1.00 1.87 O ATOM 1172 CB THR A 71 12.463 -3.153 4.761 1.00 1.83 C ATOM 1173 OG1 THR A 71 12.988 -1.849 4.466 1.00 2.27 O ATOM 1174 CG2 THR A 71 12.383 -3.970 3.480 1.00 2.08 C ATOM 0 H THR A 71 10.685 -5.081 5.203 1.00 1.44 H new ATOM 0 HA THR A 71 11.180 -2.389 6.295 1.00 1.46 H new ATOM 0 HB THR A 71 13.127 -3.660 5.461 1.00 1.83 H new ATOM 0 HG1 THR A 71 12.271 -1.279 4.117 1.00 2.27 H new ATOM 0 HG21 THR A 71 13.374 -4.042 3.032 1.00 2.08 H new ATOM 0 HG22 THR A 71 12.015 -4.970 3.709 1.00 2.08 H new ATOM 0 HG23 THR A 71 11.703 -3.484 2.781 1.00 2.08 H new ATOM 1182 N SER A 72 9.073 -3.233 4.067 1.00 1.38 N ATOM 1183 CA SER A 72 8.030 -2.824 3.131 1.00 1.57 C ATOM 1184 C SER A 72 6.711 -3.533 3.442 1.00 1.49 C ATOM 1185 O SER A 72 6.430 -4.603 2.904 1.00 1.91 O ATOM 1186 CB SER A 72 8.454 -3.132 1.697 1.00 2.05 C ATOM 1187 OG SER A 72 7.451 -2.754 0.768 1.00 2.49 O ATOM 0 H SER A 72 8.966 -4.186 4.415 1.00 1.38 H new ATOM 0 HA SER A 72 7.883 -1.749 3.239 1.00 1.57 H new ATOM 0 HB2 SER A 72 9.380 -2.605 1.469 1.00 2.05 H new ATOM 0 HB3 SER A 72 8.661 -4.198 1.598 1.00 2.05 H new ATOM 0 HG SER A 72 7.752 -2.962 -0.141 1.00 2.49 H new ATOM 1193 N ALA A 73 5.914 -2.935 4.320 1.00 1.18 N ATOM 1194 CA ALA A 73 4.635 -3.513 4.704 1.00 1.24 C ATOM 1195 C ALA A 73 3.489 -2.545 4.438 1.00 1.27 C ATOM 1196 O ALA A 73 2.319 -2.918 4.497 1.00 1.39 O ATOM 1197 CB ALA A 73 4.664 -3.907 6.173 1.00 1.32 C ATOM 0 H ALA A 73 6.132 -2.050 4.778 1.00 1.18 H new ATOM 0 HA ALA A 73 4.467 -4.403 4.097 1.00 1.24 H new ATOM 0 HB1 ALA A 73 3.703 -4.339 6.453 1.00 1.32 H new ATOM 0 HB2 ALA A 73 5.453 -4.641 6.337 1.00 1.32 H new ATOM 0 HB3 ALA A 73 4.856 -3.024 6.783 1.00 1.32 H new ATOM 1203 N ALA A 74 3.837 -1.301 4.144 1.00 1.27 N ATOM 1204 CA ALA A 74 2.848 -0.273 3.870 1.00 1.40 C ATOM 1205 C ALA A 74 2.443 -0.249 2.402 1.00 1.28 C ATOM 1206 O ALA A 74 1.457 0.393 2.035 1.00 1.34 O ATOM 1207 CB ALA A 74 3.377 1.075 4.284 1.00 1.61 C ATOM 0 H ALA A 74 4.803 -0.979 4.089 1.00 1.27 H new ATOM 0 HA ALA A 74 1.957 -0.509 4.452 1.00 1.40 H new ATOM 0 HB1 ALA A 74 2.629 1.839 4.075 1.00 1.61 H new ATOM 0 HB2 ALA A 74 3.599 1.067 5.351 1.00 1.61 H new ATOM 0 HB3 ALA A 74 4.287 1.296 3.726 1.00 1.61 H new ATOM 1213 N THR A 75 3.216 -0.939 1.561 1.00 1.16 N ATOM 1214 CA THR A 75 2.924 -1.011 0.134 1.00 1.15 C ATOM 1215 C THR A 75 1.640 -1.806 -0.092 1.00 1.20 C ATOM 1216 O THR A 75 0.913 -1.585 -1.060 1.00 1.25 O ATOM 1217 CB THR A 75 4.087 -1.653 -0.655 1.00 1.17 C ATOM 1218 OG1 THR A 75 5.324 -1.013 -0.311 1.00 1.24 O ATOM 1219 CG2 THR A 75 3.860 -1.525 -2.154 1.00 1.66 C ATOM 0 H THR A 75 4.048 -1.455 1.847 1.00 1.16 H new ATOM 0 HA THR A 75 2.795 0.007 -0.233 1.00 1.15 H new ATOM 0 HB THR A 75 4.131 -2.710 -0.393 1.00 1.17 H new ATOM 0 HG1 THR A 75 5.958 -1.683 0.021 1.00 1.24 H new ATOM 0 HG21 THR A 75 4.692 -1.984 -2.688 1.00 1.66 H new ATOM 0 HG22 THR A 75 2.932 -2.028 -2.426 1.00 1.66 H new ATOM 0 HG23 THR A 75 3.793 -0.471 -2.423 1.00 1.66 H new ATOM 1227 N CYS A 76 1.376 -2.730 0.826 1.00 1.24 N ATOM 1228 CA CYS A 76 0.181 -3.562 0.779 1.00 1.36 C ATOM 1229 C CYS A 76 -1.073 -2.741 1.098 1.00 1.39 C ATOM 1230 O CYS A 76 -2.164 -3.045 0.616 1.00 1.46 O ATOM 1231 CB CYS A 76 0.321 -4.717 1.766 1.00 1.46 C ATOM 1232 SG CYS A 76 1.924 -5.550 1.692 1.00 1.61 S ATOM 0 H CYS A 76 1.984 -2.922 1.622 1.00 1.24 H new ATOM 0 HA CYS A 76 0.074 -3.960 -0.230 1.00 1.36 H new ATOM 0 HB2 CYS A 76 0.164 -4.340 2.777 1.00 1.46 H new ATOM 0 HB3 CYS A 76 -0.466 -5.446 1.572 1.00 1.46 H new ATOM 0 HG CYS A 76 1.743 -6.824 1.509 1.00 1.61 H new ATOM 1238 N THR A 77 -0.901 -1.704 1.925 1.00 1.35 N ATOM 1239 CA THR A 77 -2.001 -0.821 2.320 1.00 1.39 C ATOM 1240 C THR A 77 -2.445 0.062 1.149 1.00 1.34 C ATOM 1241 O THR A 77 -3.604 0.468 1.069 1.00 1.38 O ATOM 1242 CB THR A 77 -1.597 0.084 3.506 1.00 1.41 C ATOM 1243 OG1 THR A 77 -0.726 -0.626 4.396 1.00 1.48 O ATOM 1244 CG2 THR A 77 -2.821 0.559 4.275 1.00 1.49 C ATOM 0 H THR A 77 -0.001 -1.455 2.336 1.00 1.35 H new ATOM 0 HA THR A 77 -2.829 -1.461 2.625 1.00 1.39 H new ATOM 0 HB THR A 77 -1.079 0.953 3.100 1.00 1.41 H new ATOM 0 HG1 THR A 77 -0.475 -0.043 5.143 1.00 1.48 H new ATOM 0 HG21 THR A 77 -2.506 1.194 5.104 1.00 1.49 H new ATOM 0 HG22 THR A 77 -3.471 1.127 3.609 1.00 1.49 H new ATOM 0 HG23 THR A 77 -3.363 -0.303 4.664 1.00 1.49 H new ATOM 1252 N ARG A 78 -1.497 0.358 0.254 1.00 1.27 N ATOM 1253 CA ARG A 78 -1.747 1.188 -0.932 1.00 1.25 C ATOM 1254 C ARG A 78 -2.796 0.550 -1.843 1.00 1.30 C ATOM 1255 O ARG A 78 -3.643 1.232 -2.420 1.00 1.29 O ATOM 1256 CB ARG A 78 -0.433 1.363 -1.707 1.00 1.25 C ATOM 1257 CG ARG A 78 -0.560 2.133 -3.015 1.00 1.33 C ATOM 1258 CD ARG A 78 0.678 1.947 -3.884 1.00 1.40 C ATOM 1259 NE ARG A 78 0.881 3.061 -4.811 1.00 1.56 N ATOM 1260 CZ ARG A 78 2.071 3.404 -5.307 1.00 1.92 C ATOM 1261 NH1 ARG A 78 3.159 2.712 -4.982 1.00 2.01 N ATOM 1262 NH2 ARG A 78 2.173 4.436 -6.134 1.00 2.42 N ATOM 0 H ARG A 78 -0.534 0.030 0.330 1.00 1.27 H new ATOM 0 HA ARG A 78 -2.126 2.156 -0.605 1.00 1.25 H new ATOM 0 HB2 ARG A 78 0.284 1.877 -1.067 1.00 1.25 H new ATOM 0 HB3 ARG A 78 -0.020 0.377 -1.921 1.00 1.25 H new ATOM 0 HG2 ARG A 78 -1.443 1.793 -3.557 1.00 1.33 H new ATOM 0 HG3 ARG A 78 -0.704 3.193 -2.804 1.00 1.33 H new ATOM 0 HD2 ARG A 78 1.555 1.845 -3.245 1.00 1.40 H new ATOM 0 HD3 ARG A 78 0.586 1.020 -4.449 1.00 1.40 H new ATOM 0 HE ARG A 78 0.067 3.606 -5.094 1.00 1.56 H new ATOM 0 HH11 ARG A 78 3.086 1.914 -4.350 1.00 2.01 H new ATOM 0 HH12 ARG A 78 4.066 2.979 -5.364 1.00 2.01 H new ATOM 0 HH21 ARG A 78 1.341 4.968 -6.391 1.00 2.42 H new ATOM 0 HH22 ARG A 78 3.083 4.698 -6.513 1.00 2.42 H new ATOM 1276 N ARG A 79 -2.720 -0.767 -1.946 1.00 1.37 N ATOM 1277 CA ARG A 79 -3.614 -1.563 -2.779 1.00 1.45 C ATOM 1278 C ARG A 79 -5.027 -1.683 -2.201 1.00 1.48 C ATOM 1279 O ARG A 79 -5.989 -1.847 -2.950 1.00 1.54 O ATOM 1280 CB ARG A 79 -3.015 -2.950 -3.071 1.00 1.52 C ATOM 1281 CG ARG A 79 -1.626 -2.873 -3.734 1.00 1.51 C ATOM 1282 CD ARG A 79 -1.085 -4.258 -4.114 1.00 1.59 C ATOM 1283 NE ARG A 79 -1.837 -4.862 -5.234 1.00 1.67 N ATOM 1284 CZ ARG A 79 -1.667 -6.070 -5.740 1.00 1.76 C ATOM 1285 NH1 ARG A 79 -0.774 -6.897 -5.275 1.00 1.79 N ATOM 1286 NH2 ARG A 79 -2.396 -6.475 -6.740 1.00 1.82 N ATOM 0 H ARG A 79 -2.026 -1.324 -1.447 1.00 1.37 H new ATOM 0 HA ARG A 79 -3.713 -1.024 -3.721 1.00 1.45 H new ATOM 0 HB2 ARG A 79 -2.937 -3.511 -2.139 1.00 1.52 H new ATOM 0 HB3 ARG A 79 -3.693 -3.504 -3.721 1.00 1.52 H new ATOM 0 HG2 ARG A 79 -1.686 -2.251 -4.627 1.00 1.51 H new ATOM 0 HG3 ARG A 79 -0.927 -2.387 -3.053 1.00 1.51 H new ATOM 0 HD2 ARG A 79 -0.034 -4.173 -4.388 1.00 1.59 H new ATOM 0 HD3 ARG A 79 -1.136 -4.917 -3.247 1.00 1.59 H new ATOM 0 HE ARG A 79 -2.563 -4.286 -5.660 1.00 1.67 H new ATOM 0 HH11 ARG A 79 -0.178 -6.619 -4.495 1.00 1.79 H new ATOM 0 HH12 ARG A 79 -0.671 -7.823 -5.691 1.00 1.79 H new ATOM 0 HH21 ARG A 79 -3.104 -5.858 -7.138 1.00 1.82 H new ATOM 0 HH22 ARG A 79 -2.259 -7.409 -7.126 1.00 1.82 H new ATOM 1300 N HIS A 80 -5.164 -1.555 -0.880 1.00 1.47 N ATOM 1301 CA HIS A 80 -6.451 -1.431 -0.197 1.00 1.50 C ATOM 1302 C HIS A 80 -7.021 -0.015 -0.375 1.00 1.44 C ATOM 1303 O HIS A 80 -8.145 0.129 -0.851 1.00 1.48 O ATOM 1304 CB HIS A 80 -6.286 -1.829 1.281 1.00 1.52 C ATOM 1305 CG HIS A 80 -5.705 -3.214 1.472 1.00 1.60 C ATOM 1306 ND1 HIS A 80 -5.907 -4.317 0.677 1.00 1.62 N flip ATOM 1307 CD2 HIS A 80 -4.865 -3.612 2.491 1.00 1.68 C flip ATOM 1308 CE1 HIS A 80 -5.182 -5.388 1.216 1.00 1.70 C flip ATOM 1309 NE2 HIS A 80 -4.573 -4.912 2.314 1.00 1.74 N flip ATOM 0 H HIS A 80 -4.367 -1.534 -0.243 1.00 1.47 H new ATOM 0 HA HIS A 80 -7.177 -2.112 -0.641 1.00 1.50 H new ATOM 0 HB2 HIS A 80 -5.642 -1.102 1.775 1.00 1.52 H new ATOM 0 HB3 HIS A 80 -7.257 -1.780 1.773 1.00 1.52 H new ATOM 0 HD1 HIS A 80 -6.486 -4.350 -0.162 1.00 1.62 H new ATOM 0 HD2 HIS A 80 -4.504 -2.986 3.294 1.00 1.68 H new ATOM 0 HE1 HIS A 80 -5.125 -6.394 0.827 1.00 1.70 H new ATOM 0 HE2 HIS A 80 -3.972 -5.461 2.929 1.00 1.74 H new ATOM 1318 N TYR A 81 -6.239 1.040 -0.103 1.00 1.35 N ATOM 1319 CA TYR A 81 -6.678 2.443 -0.211 1.00 1.29 C ATOM 1320 C TYR A 81 -7.217 2.796 -1.605 1.00 1.32 C ATOM 1321 O TYR A 81 -8.226 3.496 -1.713 1.00 1.34 O ATOM 1322 CB TYR A 81 -5.506 3.362 0.177 1.00 1.21 C ATOM 1323 CG TYR A 81 -5.841 4.843 0.348 1.00 1.16 C ATOM 1324 CD1 TYR A 81 -6.098 5.657 -0.778 1.00 1.16 C ATOM 1325 CD2 TYR A 81 -5.838 5.424 1.631 1.00 1.14 C ATOM 1326 CE1 TYR A 81 -6.370 7.029 -0.618 1.00 1.14 C ATOM 1327 CE2 TYR A 81 -6.038 6.811 1.786 1.00 1.12 C ATOM 1328 CZ TYR A 81 -6.321 7.619 0.664 1.00 1.12 C ATOM 1329 OH TYR A 81 -6.577 8.946 0.834 1.00 1.11 O ATOM 0 H TYR A 81 -5.271 0.944 0.202 1.00 1.35 H new ATOM 0 HA TYR A 81 -7.512 2.590 0.475 1.00 1.29 H new ATOM 0 HB2 TYR A 81 -5.078 2.997 1.111 1.00 1.21 H new ATOM 0 HB3 TYR A 81 -4.732 3.271 -0.585 1.00 1.21 H new ATOM 0 HD1 TYR A 81 -6.086 5.224 -1.767 1.00 1.16 H new ATOM 0 HD2 TYR A 81 -5.682 4.804 2.501 1.00 1.14 H new ATOM 0 HE1 TYR A 81 -6.617 7.632 -1.479 1.00 1.14 H new ATOM 0 HE2 TYR A 81 -5.974 7.257 2.768 1.00 1.12 H new ATOM 0 HH TYR A 81 -6.940 9.318 0.003 1.00 1.11 H new ATOM 1339 N GLU A 82 -6.614 2.261 -2.680 1.00 1.34 N ATOM 1340 CA GLU A 82 -6.999 2.565 -4.059 1.00 1.39 C ATOM 1341 C GLU A 82 -8.355 1.961 -4.453 1.00 1.50 C ATOM 1342 O GLU A 82 -8.860 2.243 -5.542 1.00 1.56 O ATOM 1343 CB GLU A 82 -5.881 2.216 -5.053 1.00 1.40 C ATOM 1344 CG GLU A 82 -5.716 0.725 -5.328 1.00 1.46 C ATOM 1345 CD GLU A 82 -4.795 0.481 -6.536 1.00 1.49 C ATOM 1346 OE1 GLU A 82 -5.263 0.667 -7.688 1.00 1.56 O ATOM 1347 OE2 GLU A 82 -3.620 0.083 -6.347 1.00 1.46 O ATOM 0 H GLU A 82 -5.840 1.601 -2.610 1.00 1.34 H new ATOM 0 HA GLU A 82 -7.140 3.645 -4.109 1.00 1.39 H new ATOM 0 HB2 GLU A 82 -6.079 2.726 -5.996 1.00 1.40 H new ATOM 0 HB3 GLU A 82 -4.938 2.608 -4.671 1.00 1.40 H new ATOM 0 HG2 GLU A 82 -5.303 0.234 -4.447 1.00 1.46 H new ATOM 0 HG3 GLU A 82 -6.692 0.277 -5.515 1.00 1.46 H new ATOM 1354 N ARG A 83 -8.954 1.147 -3.563 1.00 1.53 N ATOM 1355 CA ARG A 83 -10.339 0.683 -3.714 1.00 1.64 C ATOM 1356 C ARG A 83 -11.236 0.985 -2.507 1.00 1.64 C ATOM 1357 O ARG A 83 -12.446 0.785 -2.608 1.00 1.73 O ATOM 1358 CB ARG A 83 -10.368 -0.826 -4.036 1.00 1.73 C ATOM 1359 CG ARG A 83 -9.686 -1.228 -5.350 1.00 1.75 C ATOM 1360 CD ARG A 83 -10.370 -0.635 -6.593 1.00 1.81 C ATOM 1361 NE ARG A 83 -9.646 -1.014 -7.822 1.00 1.84 N ATOM 1362 CZ ARG A 83 -8.531 -0.465 -8.275 1.00 1.78 C ATOM 1363 NH1 ARG A 83 -8.036 0.630 -7.780 1.00 1.68 N ATOM 1364 NH2 ARG A 83 -7.857 -1.023 -9.238 1.00 1.82 N ATOM 0 H ARG A 83 -8.491 0.796 -2.725 1.00 1.53 H new ATOM 0 HA ARG A 83 -10.754 1.251 -4.546 1.00 1.64 H new ATOM 0 HB2 ARG A 83 -9.890 -1.365 -3.218 1.00 1.73 H new ATOM 0 HB3 ARG A 83 -11.407 -1.154 -4.070 1.00 1.73 H new ATOM 0 HG2 ARG A 83 -8.646 -0.904 -5.326 1.00 1.75 H new ATOM 0 HG3 ARG A 83 -9.679 -2.315 -5.431 1.00 1.75 H new ATOM 0 HD2 ARG A 83 -11.400 -0.987 -6.649 1.00 1.81 H new ATOM 0 HD3 ARG A 83 -10.409 0.451 -6.509 1.00 1.81 H new ATOM 0 HE ARG A 83 -10.044 -1.773 -8.376 1.00 1.84 H new ATOM 0 HH11 ARG A 83 -8.511 1.102 -7.010 1.00 1.68 H new ATOM 0 HH12 ARG A 83 -7.173 1.017 -8.161 1.00 1.68 H new ATOM 0 HH21 ARG A 83 -8.187 -1.894 -9.653 1.00 1.82 H new ATOM 0 HH22 ARG A 83 -6.999 -0.589 -9.578 1.00 1.82 H new ATOM 1378 N LEU A 84 -10.677 1.490 -1.402 1.00 1.56 N ATOM 1379 CA LEU A 84 -11.403 1.592 -0.134 1.00 1.57 C ATOM 1380 C LEU A 84 -11.604 3.046 0.324 1.00 1.51 C ATOM 1381 O LEU A 84 -12.375 3.294 1.243 1.00 1.54 O ATOM 1382 CB LEU A 84 -10.609 0.749 0.879 1.00 1.56 C ATOM 1383 CG LEU A 84 -11.263 0.538 2.246 1.00 1.61 C ATOM 1384 CD1 LEU A 84 -12.604 -0.180 2.151 1.00 1.73 C ATOM 1385 CD2 LEU A 84 -10.340 -0.301 3.125 1.00 1.61 C ATOM 0 H LEU A 84 -9.718 1.836 -1.362 1.00 1.56 H new ATOM 0 HA LEU A 84 -12.420 1.213 -0.238 1.00 1.57 H new ATOM 0 HB2 LEU A 84 -10.419 -0.229 0.436 1.00 1.56 H new ATOM 0 HB3 LEU A 84 -9.640 1.223 1.033 1.00 1.56 H new ATOM 0 HG LEU A 84 -11.434 1.527 2.671 1.00 1.61 H new ATOM 0 HD11 LEU A 84 -13.023 -0.303 3.150 1.00 1.73 H new ATOM 0 HD12 LEU A 84 -13.289 0.408 1.540 1.00 1.73 H new ATOM 0 HD13 LEU A 84 -12.461 -1.159 1.695 1.00 1.73 H new ATOM 0 HD21 LEU A 84 -10.804 -0.452 4.100 1.00 1.61 H new ATOM 0 HD22 LEU A 84 -10.166 -1.267 2.652 1.00 1.61 H new ATOM 0 HD23 LEU A 84 -9.389 0.217 3.253 1.00 1.61 H new ATOM 1397 N ILE A 85 -10.943 4.011 -0.330 1.00 1.44 N ATOM 1398 CA ILE A 85 -11.261 5.440 -0.142 1.00 1.41 C ATOM 1399 C ILE A 85 -10.817 6.332 -1.300 1.00 1.39 C ATOM 1400 O ILE A 85 -11.446 7.365 -1.501 1.00 1.42 O ATOM 1401 CB ILE A 85 -10.765 5.967 1.217 1.00 1.35 C ATOM 1402 CG1 ILE A 85 -11.362 7.366 1.500 1.00 1.35 C ATOM 1403 CG2 ILE A 85 -9.238 5.977 1.310 1.00 1.26 C ATOM 1404 CD1 ILE A 85 -11.430 7.722 2.985 1.00 1.33 C ATOM 0 H ILE A 85 -10.188 3.833 -0.992 1.00 1.44 H new ATOM 0 HA ILE A 85 -12.350 5.495 -0.138 1.00 1.41 H new ATOM 0 HB ILE A 85 -11.115 5.281 1.988 1.00 1.35 H new ATOM 0 HG12 ILE A 85 -10.764 8.117 0.984 1.00 1.35 H new ATOM 0 HG13 ILE A 85 -12.366 7.414 1.079 1.00 1.35 H new ATOM 0 HG21 ILE A 85 -8.935 6.356 2.286 1.00 1.26 H new ATOM 0 HG22 ILE A 85 -8.859 4.963 1.181 1.00 1.26 H new ATOM 0 HG23 ILE A 85 -8.830 6.619 0.529 1.00 1.26 H new ATOM 0 HD11 ILE A 85 -11.860 8.717 3.101 1.00 1.33 H new ATOM 0 HD12 ILE A 85 -12.053 6.995 3.505 1.00 1.33 H new ATOM 0 HD13 ILE A 85 -10.426 7.709 3.409 1.00 1.33 H new ATOM 1416 N LEU A 86 -9.851 5.935 -2.135 1.00 1.37 N ATOM 1417 CA LEU A 86 -9.574 6.627 -3.402 1.00 1.39 C ATOM 1418 C LEU A 86 -10.849 6.889 -4.251 1.00 1.49 C ATOM 1419 O LEU A 86 -10.984 8.004 -4.764 1.00 1.52 O ATOM 1420 CB LEU A 86 -8.501 5.839 -4.168 1.00 1.37 C ATOM 1421 CG LEU A 86 -8.057 6.434 -5.517 1.00 1.41 C ATOM 1422 CD1 LEU A 86 -7.517 7.860 -5.384 1.00 1.37 C ATOM 1423 CD2 LEU A 86 -6.968 5.570 -6.143 1.00 1.40 C ATOM 0 H LEU A 86 -9.244 5.135 -1.957 1.00 1.37 H new ATOM 0 HA LEU A 86 -9.195 7.624 -3.178 1.00 1.39 H new ATOM 0 HB2 LEU A 86 -7.623 5.745 -3.529 1.00 1.37 H new ATOM 0 HB3 LEU A 86 -8.876 4.831 -4.345 1.00 1.37 H new ATOM 0 HG LEU A 86 -8.946 6.459 -6.147 1.00 1.41 H new ATOM 0 HD11 LEU A 86 -7.219 8.229 -6.365 1.00 1.37 H new ATOM 0 HD12 LEU A 86 -8.293 8.506 -4.973 1.00 1.37 H new ATOM 0 HD13 LEU A 86 -6.654 7.862 -4.718 1.00 1.37 H new ATOM 0 HD21 LEU A 86 -6.664 6.002 -7.096 1.00 1.40 H new ATOM 0 HD22 LEU A 86 -6.109 5.526 -5.474 1.00 1.40 H new ATOM 0 HD23 LEU A 86 -7.352 4.563 -6.307 1.00 1.40 H new ATOM 1435 N PRO A 87 -11.828 5.955 -4.364 1.00 1.58 N ATOM 1436 CA PRO A 87 -13.107 6.243 -5.024 1.00 1.69 C ATOM 1437 C PRO A 87 -14.079 7.133 -4.221 1.00 1.71 C ATOM 1438 O PRO A 87 -15.014 7.660 -4.830 1.00 1.80 O ATOM 1439 CB PRO A 87 -13.733 4.875 -5.326 1.00 1.78 C ATOM 1440 CG PRO A 87 -13.154 3.970 -4.246 1.00 1.71 C ATOM 1441 CD PRO A 87 -11.742 4.521 -4.078 1.00 1.59 C ATOM 0 HA PRO A 87 -12.914 6.835 -5.919 1.00 1.69 H new ATOM 0 HB2 PRO A 87 -14.821 4.912 -5.277 1.00 1.78 H new ATOM 0 HB3 PRO A 87 -13.471 4.526 -6.325 1.00 1.78 H new ATOM 0 HG2 PRO A 87 -13.725 4.027 -3.319 1.00 1.71 H new ATOM 0 HG3 PRO A 87 -13.148 2.924 -4.553 1.00 1.71 H new ATOM 0 HD2 PRO A 87 -11.374 4.347 -3.067 1.00 1.59 H new ATOM 0 HD3 PRO A 87 -11.048 4.029 -4.759 1.00 1.59 H new ATOM 1449 N TYR A 88 -13.895 7.331 -2.903 1.00 1.63 N ATOM 1450 CA TYR A 88 -14.830 8.119 -2.076 1.00 1.66 C ATOM 1451 C TYR A 88 -14.291 9.495 -1.645 1.00 1.59 C ATOM 1452 O TYR A 88 -15.069 10.443 -1.600 1.00 1.64 O ATOM 1453 CB TYR A 88 -15.378 7.272 -0.911 1.00 1.68 C ATOM 1454 CG TYR A 88 -16.810 6.775 -1.108 1.00 1.80 C ATOM 1455 CD1 TYR A 88 -17.252 6.295 -2.362 1.00 1.89 C ATOM 1456 CD2 TYR A 88 -17.713 6.796 -0.026 1.00 1.84 C ATOM 1457 CE1 TYR A 88 -18.577 5.849 -2.530 1.00 2.01 C ATOM 1458 CE2 TYR A 88 -19.042 6.359 -0.190 1.00 1.97 C ATOM 1459 CZ TYR A 88 -19.478 5.881 -1.444 1.00 2.05 C ATOM 1460 OH TYR A 88 -20.758 5.448 -1.614 1.00 2.17 O ATOM 0 H TYR A 88 -13.102 6.954 -2.384 1.00 1.63 H new ATOM 0 HA TYR A 88 -15.675 8.374 -2.716 1.00 1.66 H new ATOM 0 HB2 TYR A 88 -14.725 6.412 -0.765 1.00 1.68 H new ATOM 0 HB3 TYR A 88 -15.335 7.863 0.004 1.00 1.68 H new ATOM 0 HD1 TYR A 88 -16.568 6.270 -3.198 1.00 1.89 H new ATOM 0 HD2 TYR A 88 -17.382 7.151 0.939 1.00 1.84 H new ATOM 0 HE1 TYR A 88 -18.904 5.482 -3.491 1.00 2.01 H new ATOM 0 HE2 TYR A 88 -19.727 6.390 0.644 1.00 1.97 H new ATOM 0 HH TYR A 88 -21.248 5.535 -0.770 1.00 2.17 H new ATOM 1470 N GLU A 89 -12.976 9.699 -1.478 1.00 1.50 N ATOM 1471 CA GLU A 89 -12.404 11.058 -1.329 1.00 1.46 C ATOM 1472 C GLU A 89 -12.739 11.966 -2.539 1.00 1.53 C ATOM 1473 O GLU A 89 -12.672 13.191 -2.446 1.00 1.55 O ATOM 1474 CB GLU A 89 -10.886 11.033 -1.048 1.00 1.36 C ATOM 1475 CG GLU A 89 -10.006 10.575 -2.224 1.00 1.35 C ATOM 1476 CD GLU A 89 -8.515 10.876 -1.973 1.00 1.27 C ATOM 1477 OE1 GLU A 89 -7.855 10.135 -1.205 1.00 1.21 O ATOM 1478 OE2 GLU A 89 -7.991 11.857 -2.561 1.00 1.29 O ATOM 0 H GLU A 89 -12.286 8.948 -1.442 1.00 1.50 H new ATOM 0 HA GLU A 89 -12.882 11.494 -0.452 1.00 1.46 H new ATOM 0 HB2 GLU A 89 -10.572 12.033 -0.749 1.00 1.36 H new ATOM 0 HB3 GLU A 89 -10.701 10.374 -0.200 1.00 1.36 H new ATOM 0 HG2 GLU A 89 -10.139 9.505 -2.383 1.00 1.35 H new ATOM 0 HG3 GLU A 89 -10.329 11.075 -3.137 1.00 1.35 H new ATOM 1485 N ARG A 90 -13.194 11.339 -3.635 1.00 1.61 N ATOM 1486 CA ARG A 90 -13.767 12.052 -4.786 1.00 1.71 C ATOM 1487 C ARG A 90 -14.883 13.043 -4.412 1.00 1.78 C ATOM 1488 O ARG A 90 -14.942 14.111 -5.022 1.00 1.83 O ATOM 1489 CB ARG A 90 -14.233 11.002 -5.813 1.00 1.78 C ATOM 1490 CG ARG A 90 -14.572 11.610 -7.180 1.00 1.89 C ATOM 1491 CD ARG A 90 -14.866 10.504 -8.201 1.00 1.97 C ATOM 1492 NE ARG A 90 -15.151 11.063 -9.535 1.00 2.08 N ATOM 1493 CZ ARG A 90 -15.248 10.392 -10.670 1.00 2.16 C ATOM 1494 NH1 ARG A 90 -15.111 9.096 -10.726 1.00 2.15 N ATOM 1495 NH2 ARG A 90 -15.489 11.017 -11.787 1.00 2.25 N ATOM 0 H ARG A 90 -13.175 10.325 -3.748 1.00 1.61 H new ATOM 0 HA ARG A 90 -12.994 12.685 -5.222 1.00 1.71 H new ATOM 0 HB2 ARG A 90 -13.451 10.253 -5.939 1.00 1.78 H new ATOM 0 HB3 ARG A 90 -15.110 10.485 -5.424 1.00 1.78 H new ATOM 0 HG2 ARG A 90 -15.437 12.267 -7.088 1.00 1.89 H new ATOM 0 HG3 ARG A 90 -13.741 12.223 -7.528 1.00 1.89 H new ATOM 0 HD2 ARG A 90 -14.013 9.828 -8.263 1.00 1.97 H new ATOM 0 HD3 ARG A 90 -15.717 9.913 -7.864 1.00 1.97 H new ATOM 0 HE ARG A 90 -15.288 12.072 -9.588 1.00 2.08 H new ATOM 0 HH11 ARG A 90 -14.922 8.566 -9.875 1.00 2.15 H new ATOM 0 HH12 ARG A 90 -15.193 8.613 -11.621 1.00 2.15 H new ATOM 0 HH21 ARG A 90 -15.604 12.030 -11.790 1.00 2.25 H new ATOM 0 HH22 ARG A 90 -15.563 10.493 -12.659 1.00 2.25 H new ATOM 1509 N PHE A 91 -15.718 12.773 -3.395 1.00 1.78 N ATOM 1510 CA PHE A 91 -16.687 13.776 -2.904 1.00 1.84 C ATOM 1511 C PHE A 91 -16.029 14.885 -2.059 1.00 1.78 C ATOM 1512 O PHE A 91 -16.498 16.024 -2.074 1.00 1.84 O ATOM 1513 CB PHE A 91 -17.888 13.131 -2.178 1.00 1.89 C ATOM 1514 CG PHE A 91 -17.644 12.493 -0.816 1.00 1.82 C ATOM 1515 CD1 PHE A 91 -17.406 13.288 0.327 1.00 1.77 C ATOM 1516 CD2 PHE A 91 -17.709 11.092 -0.671 1.00 1.81 C ATOM 1517 CE1 PHE A 91 -17.134 12.684 1.568 1.00 1.71 C ATOM 1518 CE2 PHE A 91 -17.428 10.492 0.566 1.00 1.76 C ATOM 1519 CZ PHE A 91 -17.109 11.286 1.676 1.00 1.70 C ATOM 0 H PHE A 91 -15.745 11.882 -2.900 1.00 1.78 H new ATOM 0 HA PHE A 91 -17.082 14.265 -3.794 1.00 1.84 H new ATOM 0 HB2 PHE A 91 -18.654 13.897 -2.055 1.00 1.89 H new ATOM 0 HB3 PHE A 91 -18.304 12.367 -2.835 1.00 1.89 H new ATOM 0 HD1 PHE A 91 -17.433 14.365 0.248 1.00 1.77 H new ATOM 0 HD2 PHE A 91 -17.977 10.477 -1.517 1.00 1.81 H new ATOM 0 HE1 PHE A 91 -16.945 13.297 2.437 1.00 1.71 H new ATOM 0 HE2 PHE A 91 -17.458 9.417 0.663 1.00 1.76 H new ATOM 0 HZ PHE A 91 -16.844 10.821 2.614 1.00 1.70 H new ATOM 1529 N ILE A 92 -14.914 14.593 -1.375 1.00 1.67 N ATOM 1530 CA ILE A 92 -14.204 15.596 -0.553 1.00 1.62 C ATOM 1531 C ILE A 92 -13.446 16.568 -1.466 1.00 1.64 C ATOM 1532 O ILE A 92 -13.469 17.781 -1.272 1.00 1.69 O ATOM 1533 CB ILE A 92 -13.233 14.904 0.441 1.00 1.52 C ATOM 1534 CG1 ILE A 92 -13.963 13.842 1.298 1.00 1.51 C ATOM 1535 CG2 ILE A 92 -12.558 15.953 1.348 1.00 1.49 C ATOM 1536 CD1 ILE A 92 -13.059 13.021 2.225 1.00 1.43 C ATOM 0 H ILE A 92 -14.480 13.670 -1.372 1.00 1.67 H new ATOM 0 HA ILE A 92 -14.934 16.156 0.031 1.00 1.62 H new ATOM 0 HB ILE A 92 -12.467 14.393 -0.142 1.00 1.52 H new ATOM 0 HG12 ILE A 92 -14.719 14.343 1.903 1.00 1.51 H new ATOM 0 HG13 ILE A 92 -14.490 13.159 0.631 1.00 1.51 H new ATOM 0 HG21 ILE A 92 -11.880 15.453 2.040 1.00 1.49 H new ATOM 0 HG22 ILE A 92 -11.996 16.657 0.734 1.00 1.49 H new ATOM 0 HG23 ILE A 92 -13.320 16.491 1.912 1.00 1.49 H new ATOM 0 HD11 ILE A 92 -13.663 12.305 2.782 1.00 1.43 H new ATOM 0 HD12 ILE A 92 -12.319 12.486 1.631 1.00 1.43 H new ATOM 0 HD13 ILE A 92 -12.551 13.688 2.922 1.00 1.43 H new ATOM 1548 N LYS A 93 -12.821 16.020 -2.511 1.00 1.63 N ATOM 1549 CA LYS A 93 -11.926 16.775 -3.398 1.00 1.66 C ATOM 1550 C LYS A 93 -12.639 17.350 -4.630 1.00 1.78 C ATOM 1551 O LYS A 93 -12.038 18.092 -5.408 1.00 1.82 O ATOM 1552 CB LYS A 93 -10.792 15.805 -3.761 1.00 1.58 C ATOM 1553 CG LYS A 93 -9.514 16.497 -4.247 1.00 1.58 C ATOM 1554 CD LYS A 93 -8.317 15.547 -4.128 1.00 1.49 C ATOM 1555 CE LYS A 93 -8.455 14.318 -5.037 1.00 1.50 C ATOM 1556 NZ LYS A 93 -7.347 13.366 -4.805 1.00 1.41 N ATOM 0 H LYS A 93 -12.920 15.038 -2.768 1.00 1.63 H new ATOM 0 HA LYS A 93 -11.540 17.663 -2.897 1.00 1.66 H new ATOM 0 HB2 LYS A 93 -10.554 15.197 -2.888 1.00 1.58 H new ATOM 0 HB3 LYS A 93 -11.143 15.125 -4.538 1.00 1.58 H new ATOM 0 HG2 LYS A 93 -9.635 16.813 -5.283 1.00 1.58 H new ATOM 0 HG3 LYS A 93 -9.333 17.397 -3.659 1.00 1.58 H new ATOM 0 HD2 LYS A 93 -7.403 16.084 -4.383 1.00 1.49 H new ATOM 0 HD3 LYS A 93 -8.217 15.221 -3.093 1.00 1.49 H new ATOM 0 HE2 LYS A 93 -9.409 13.826 -4.848 1.00 1.50 H new ATOM 0 HE3 LYS A 93 -8.459 14.631 -6.081 1.00 1.50 H new ATOM 0 HZ1 LYS A 93 -7.234 12.755 -5.639 1.00 1.41 H new ATOM 0 HZ2 LYS A 93 -6.466 13.893 -4.640 1.00 1.41 H new ATOM 0 HZ3 LYS A 93 -7.561 12.780 -3.973 1.00 1.41 H new ATOM 1570 N GLY A 94 -13.930 17.034 -4.773 1.00 1.84 N ATOM 1571 CA GLY A 94 -14.758 17.517 -5.881 1.00 1.97 C ATOM 1572 C GLY A 94 -15.975 18.339 -5.439 1.00 2.05 C ATOM 1573 O GLY A 94 -16.510 19.086 -6.256 1.00 2.15 O ATOM 0 H GLY A 94 -14.432 16.433 -4.120 1.00 1.84 H new ATOM 0 HA2 GLY A 94 -14.142 18.126 -6.542 1.00 1.97 H new ATOM 0 HA3 GLY A 94 -15.102 16.662 -6.463 1.00 1.97 H new ATOM 1577 N GLU A 95 -16.398 18.251 -4.168 1.00 2.00 N ATOM 1578 CA GLU A 95 -17.604 18.932 -3.653 1.00 2.08 C ATOM 1579 C GLU A 95 -17.459 19.484 -2.217 1.00 2.02 C ATOM 1580 O GLU A 95 -18.453 19.721 -1.524 1.00 2.07 O ATOM 1581 CB GLU A 95 -18.843 18.012 -3.776 1.00 2.13 C ATOM 1582 CG GLU A 95 -19.162 17.546 -5.204 1.00 2.21 C ATOM 1583 CD GLU A 95 -20.489 16.768 -5.247 1.00 2.29 C ATOM 1584 OE1 GLU A 95 -21.563 17.393 -5.439 1.00 2.40 O ATOM 1585 OE2 GLU A 95 -20.473 15.520 -5.106 1.00 2.26 O ATOM 0 H GLU A 95 -15.911 17.701 -3.460 1.00 2.00 H new ATOM 0 HA GLU A 95 -17.742 19.810 -4.284 1.00 2.08 H new ATOM 0 HB2 GLU A 95 -18.689 17.134 -3.149 1.00 2.13 H new ATOM 0 HB3 GLU A 95 -19.710 18.540 -3.379 1.00 2.13 H new ATOM 0 HG2 GLU A 95 -19.221 18.409 -5.867 1.00 2.21 H new ATOM 0 HG3 GLU A 95 -18.354 16.914 -5.573 1.00 2.21 H new ATOM 1592 N GLU A 96 -16.225 19.732 -1.763 1.00 1.94 N ATOM 1593 CA GLU A 96 -15.947 20.375 -0.464 1.00 1.90 C ATOM 1594 C GLU A 96 -14.621 21.168 -0.409 1.00 1.87 C ATOM 1595 O GLU A 96 -14.613 22.309 0.053 1.00 1.92 O ATOM 1596 CB GLU A 96 -15.997 19.322 0.665 1.00 1.82 C ATOM 1597 CG GLU A 96 -16.003 19.965 2.057 1.00 1.81 C ATOM 1598 CD GLU A 96 -16.210 18.907 3.159 1.00 1.76 C ATOM 1599 OE1 GLU A 96 -17.379 18.623 3.520 1.00 1.81 O ATOM 1600 OE2 GLU A 96 -15.208 18.370 3.689 1.00 1.68 O ATOM 0 H GLU A 96 -15.383 19.492 -2.286 1.00 1.94 H new ATOM 0 HA GLU A 96 -16.731 21.119 -0.324 1.00 1.90 H new ATOM 0 HB2 GLU A 96 -16.889 18.707 0.547 1.00 1.82 H new ATOM 0 HB3 GLU A 96 -15.138 18.657 0.578 1.00 1.82 H new ATOM 0 HG2 GLU A 96 -15.061 20.487 2.223 1.00 1.81 H new ATOM 0 HG3 GLU A 96 -16.795 20.711 2.112 1.00 1.81 H new ATOM 1607 N ASP A 97 -13.512 20.556 -0.838 1.00 1.80 N ATOM 1608 CA ASP A 97 -12.201 21.221 -0.800 1.00 1.78 C ATOM 1609 C ASP A 97 -11.086 20.306 -1.301 1.00 1.87 C ATOM 1610 O ASP A 97 -11.133 19.092 -1.108 1.00 2.33 O ATOM 1611 CB ASP A 97 -11.873 21.661 0.634 1.00 1.78 C ATOM 1612 CG ASP A 97 -10.788 22.721 0.692 1.00 2.14 C ATOM 1613 OD1 ASP A 97 -11.080 23.887 0.350 1.00 2.70 O ATOM 1614 OD2 ASP A 97 -9.648 22.384 1.072 1.00 2.20 O ATOM 0 H ASP A 97 -13.493 19.608 -1.213 1.00 1.80 H new ATOM 0 HA ASP A 97 -12.260 22.088 -1.458 1.00 1.78 H new ATOM 0 HB2 ASP A 97 -12.777 22.047 1.106 1.00 1.78 H new ATOM 0 HB3 ASP A 97 -11.557 20.793 1.212 1.00 1.78 H new ATOM 1619 N LYS A 98 -10.070 20.896 -1.924 1.00 1.90 N ATOM 1620 CA LYS A 98 -8.938 20.133 -2.436 1.00 2.13 C ATOM 1621 C LYS A 98 -7.757 20.208 -1.466 1.00 2.94 C ATOM 1622 O LYS A 98 -7.202 21.284 -1.233 1.00 3.42 O ATOM 1623 CB LYS A 98 -8.525 20.655 -3.814 1.00 2.05 C ATOM 1624 CG LYS A 98 -7.562 19.739 -4.554 1.00 2.30 C ATOM 1625 CD LYS A 98 -7.278 20.243 -5.963 1.00 2.83 C ATOM 1626 CE LYS A 98 -8.520 20.209 -6.841 1.00 3.09 C ATOM 1627 NZ LYS A 98 -9.107 18.843 -6.928 1.00 3.68 N ATOM 0 H LYS A 98 -10.008 21.901 -2.086 1.00 1.90 H new ATOM 0 HA LYS A 98 -9.241 19.090 -2.533 1.00 2.13 H new ATOM 0 HB2 LYS A 98 -9.419 20.795 -4.422 1.00 2.05 H new ATOM 0 HB3 LYS A 98 -8.062 21.635 -3.697 1.00 2.05 H new ATOM 0 HG2 LYS A 98 -6.627 19.667 -3.998 1.00 2.30 H new ATOM 0 HG3 LYS A 98 -7.981 18.734 -4.604 1.00 2.30 H new ATOM 0 HD2 LYS A 98 -6.897 21.263 -5.913 1.00 2.83 H new ATOM 0 HD3 LYS A 98 -6.497 19.632 -6.416 1.00 2.83 H new ATOM 0 HE2 LYS A 98 -9.264 20.898 -6.442 1.00 3.09 H new ATOM 0 HE3 LYS A 98 -8.266 20.558 -7.842 1.00 3.09 H new ATOM 0 HZ1 LYS A 98 -9.487 18.689 -7.884 1.00 3.68 H new ATOM 0 HZ2 LYS A 98 -8.371 18.136 -6.730 1.00 3.68 H new ATOM 0 HZ3 LYS A 98 -9.873 18.749 -6.231 1.00 3.68 H new ATOM 1641 N PRO A 99 -7.362 19.059 -0.882 1.00 3.57 N ATOM 1642 CA PRO A 99 -6.248 18.991 0.073 1.00 4.60 C ATOM 1643 C PRO A 99 -4.869 19.072 -0.585 1.00 4.87 C ATOM 1644 O PRO A 99 -3.883 19.402 0.074 1.00 5.78 O ATOM 1645 CB PRO A 99 -6.440 17.623 0.733 1.00 5.30 C ATOM 1646 CG PRO A 99 -7.130 16.793 -0.297 1.00 4.88 C ATOM 1647 CD PRO A 99 -7.987 17.738 -1.098 1.00 3.76 C ATOM 0 HA PRO A 99 -6.267 19.835 0.763 1.00 4.60 H new ATOM 0 HB2 PRO A 99 -5.484 17.184 1.018 1.00 5.30 H new ATOM 0 HB3 PRO A 99 -7.038 17.703 1.641 1.00 5.30 H new ATOM 0 HG2 PRO A 99 -6.407 16.287 -0.937 1.00 4.88 H new ATOM 0 HG3 PRO A 99 -7.738 16.019 0.171 1.00 4.88 H new ATOM 0 HD2 PRO A 99 -7.997 17.469 -2.154 1.00 3.76 H new ATOM 0 HD3 PRO A 99 -9.022 17.725 -0.756 1.00 3.76 H new ATOM 1655 N LEU A 100 -4.803 18.771 -1.883 1.00 4.16 N ATOM 1656 CA LEU A 100 -3.541 18.797 -2.620 1.00 4.45 C ATOM 1657 C LEU A 100 -3.808 18.801 -4.128 1.00 4.49 C ATOM 1658 O LEU A 100 -4.599 17.997 -4.614 1.00 4.18 O ATOM 1659 CB LEU A 100 -2.694 17.569 -2.232 1.00 4.19 C ATOM 1660 CG LEU A 100 -1.182 17.799 -2.059 1.00 4.60 C ATOM 1661 CD1 LEU A 100 -0.475 17.846 -3.404 1.00 4.86 C ATOM 1662 CD2 LEU A 100 -0.912 19.073 -1.270 1.00 4.95 C ATOM 0 H LEU A 100 -5.611 18.506 -2.446 1.00 4.16 H new ATOM 0 HA LEU A 100 -2.995 19.705 -2.364 1.00 4.45 H new ATOM 0 HB2 LEU A 100 -3.086 17.167 -1.298 1.00 4.19 H new ATOM 0 HB3 LEU A 100 -2.837 16.803 -2.994 1.00 4.19 H new ATOM 0 HG LEU A 100 -0.783 16.955 -1.496 1.00 4.60 H new ATOM 0 HD11 LEU A 100 0.591 18.010 -3.249 1.00 4.86 H new ATOM 0 HD12 LEU A 100 -0.625 16.902 -3.927 1.00 4.86 H new ATOM 0 HD13 LEU A 100 -0.884 18.661 -4.002 1.00 4.86 H new ATOM 0 HD21 LEU A 100 0.164 19.213 -1.162 1.00 4.95 H new ATOM 0 HD22 LEU A 100 -1.337 19.926 -1.799 1.00 4.95 H new ATOM 0 HD23 LEU A 100 -1.369 18.994 -0.284 1.00 4.95 H new ATOM 1674 N PRO A 101 -3.184 19.729 -4.886 1.00 5.19 N ATOM 1675 CA PRO A 101 -3.358 19.804 -6.344 1.00 5.67 C ATOM 1676 C PRO A 101 -2.640 18.665 -7.078 1.00 5.64 C ATOM 1677 O PRO A 101 -1.675 18.095 -6.565 1.00 5.32 O ATOM 1678 CB PRO A 101 -2.745 21.159 -6.704 1.00 6.54 C ATOM 1679 CG PRO A 101 -1.739 21.415 -5.637 1.00 6.50 C ATOM 1680 CD PRO A 101 -2.300 20.799 -4.381 1.00 5.81 C ATOM 0 HA PRO A 101 -4.403 19.707 -6.638 1.00 5.67 H new ATOM 0 HB2 PRO A 101 -2.279 21.134 -7.689 1.00 6.54 H new ATOM 0 HB3 PRO A 101 -3.503 21.942 -6.730 1.00 6.54 H new ATOM 0 HG2 PRO A 101 -0.777 20.971 -5.893 1.00 6.50 H new ATOM 0 HG3 PRO A 101 -1.572 22.484 -5.506 1.00 6.50 H new ATOM 0 HD2 PRO A 101 -1.511 20.400 -3.743 1.00 5.81 H new ATOM 0 HD3 PRO A 101 -2.851 21.529 -3.788 1.00 5.81 H new ATOM 1688 N PRO A 102 -3.111 18.322 -8.298 1.00 6.15 N ATOM 1689 CA PRO A 102 -2.538 17.228 -9.109 1.00 6.45 C ATOM 1690 C PRO A 102 -1.148 17.521 -9.688 1.00 6.96 C ATOM 1691 O PRO A 102 -0.595 16.692 -10.413 1.00 7.31 O ATOM 1692 CB PRO A 102 -3.554 17.066 -10.243 1.00 7.14 C ATOM 1693 CG PRO A 102 -4.191 18.404 -10.372 1.00 7.42 C ATOM 1694 CD PRO A 102 -4.252 18.964 -8.977 1.00 6.66 C ATOM 0 HA PRO A 102 -2.382 16.340 -8.497 1.00 6.45 H new ATOM 0 HB2 PRO A 102 -3.067 16.768 -11.172 1.00 7.14 H new ATOM 0 HB3 PRO A 102 -4.291 16.298 -10.008 1.00 7.14 H new ATOM 0 HG2 PRO A 102 -3.610 19.052 -11.029 1.00 7.42 H new ATOM 0 HG3 PRO A 102 -5.188 18.323 -10.805 1.00 7.42 H new ATOM 0 HD2 PRO A 102 -4.160 20.050 -8.976 1.00 6.66 H new ATOM 0 HD3 PRO A 102 -5.197 18.724 -8.489 1.00 6.66 H new ATOM 1702 N ILE A 103 -0.581 18.686 -9.378 1.00 7.14 N ATOM 1703 CA ILE A 103 0.748 19.035 -9.885 1.00 7.71 C ATOM 1704 C ILE A 103 1.846 18.403 -9.017 1.00 7.31 C ATOM 1705 O ILE A 103 2.283 18.976 -8.016 1.00 7.64 O ATOM 1706 CB ILE A 103 0.945 20.575 -9.996 1.00 8.28 C ATOM 1707 CG1 ILE A 103 2.395 20.919 -10.368 1.00 9.04 C ATOM 1708 CG2 ILE A 103 0.543 21.283 -8.709 1.00 8.23 C ATOM 1709 CD1 ILE A 103 2.771 20.533 -11.782 1.00 9.66 C ATOM 0 H ILE A 103 -1.013 19.396 -8.787 1.00 7.14 H new ATOM 0 HA ILE A 103 0.827 18.628 -10.893 1.00 7.71 H new ATOM 0 HB ILE A 103 0.291 20.930 -10.793 1.00 8.28 H new ATOM 0 HG12 ILE A 103 2.548 21.991 -10.241 1.00 9.04 H new ATOM 0 HG13 ILE A 103 3.068 20.416 -9.673 1.00 9.04 H new ATOM 0 HG21 ILE A 103 0.694 22.357 -8.822 1.00 8.23 H new ATOM 0 HG22 ILE A 103 -0.508 21.084 -8.497 1.00 8.23 H new ATOM 0 HG23 ILE A 103 1.155 20.916 -7.885 1.00 8.23 H new ATOM 0 HD11 ILE A 103 3.809 20.807 -11.970 1.00 9.66 H new ATOM 0 HD12 ILE A 103 2.651 19.457 -11.910 1.00 9.66 H new ATOM 0 HD13 ILE A 103 2.124 21.056 -12.486 1.00 9.66 H new ATOM 1721 N LYS A 104 2.276 17.204 -9.415 1.00 6.73 N ATOM 1722 CA LYS A 104 3.316 16.473 -8.696 1.00 6.37 C ATOM 1723 C LYS A 104 3.668 15.171 -9.420 1.00 5.89 C ATOM 1724 O LYS A 104 3.026 14.142 -9.204 1.00 5.68 O ATOM 1725 CB LYS A 104 2.861 16.159 -7.269 1.00 6.44 C ATOM 1726 CG LYS A 104 3.914 16.450 -6.215 1.00 6.74 C ATOM 1727 CD LYS A 104 3.356 16.271 -4.812 1.00 7.08 C ATOM 1728 CE LYS A 104 4.423 16.493 -3.754 1.00 7.57 C ATOM 1729 NZ LYS A 104 5.518 15.490 -3.851 1.00 8.00 N ATOM 0 H LYS A 104 1.916 16.718 -10.237 1.00 6.73 H new ATOM 0 HA LYS A 104 4.203 17.105 -8.659 1.00 6.37 H new ATOM 0 HB2 LYS A 104 1.966 16.740 -7.046 1.00 6.44 H new ATOM 0 HB3 LYS A 104 2.581 15.107 -7.209 1.00 6.44 H new ATOM 0 HG2 LYS A 104 4.767 15.786 -6.357 1.00 6.74 H new ATOM 0 HG3 LYS A 104 4.280 17.470 -6.336 1.00 6.74 H new ATOM 0 HD2 LYS A 104 2.535 16.971 -4.654 1.00 7.08 H new ATOM 0 HD3 LYS A 104 2.944 15.267 -4.709 1.00 7.08 H new ATOM 0 HE2 LYS A 104 4.838 17.495 -3.862 1.00 7.57 H new ATOM 0 HE3 LYS A 104 3.969 16.441 -2.764 1.00 7.57 H new ATOM 0 HZ1 LYS A 104 6.032 15.449 -2.948 1.00 8.00 H new ATOM 0 HZ2 LYS A 104 5.115 14.555 -4.063 1.00 8.00 H new ATOM 0 HZ3 LYS A 104 6.174 15.764 -4.610 1.00 8.00 H new ATOM 1743 N PRO A 105 4.686 15.203 -10.303 1.00 5.95 N ATOM 1744 CA PRO A 105 5.122 14.015 -11.047 1.00 5.79 C ATOM 1745 C PRO A 105 5.904 13.036 -10.168 1.00 5.46 C ATOM 1746 O PRO A 105 5.655 11.829 -10.190 1.00 5.28 O ATOM 1747 CB PRO A 105 6.013 14.590 -12.149 1.00 6.33 C ATOM 1748 CG PRO A 105 6.521 15.888 -11.610 1.00 6.61 C ATOM 1749 CD PRO A 105 5.474 16.401 -10.652 1.00 6.47 C ATOM 0 HA PRO A 105 4.280 13.438 -11.428 1.00 5.79 H new ATOM 0 HB2 PRO A 105 6.835 13.913 -12.383 1.00 6.33 H new ATOM 0 HB3 PRO A 105 5.451 14.740 -13.071 1.00 6.33 H new ATOM 0 HG2 PRO A 105 7.475 15.749 -11.102 1.00 6.61 H new ATOM 0 HG3 PRO A 105 6.690 16.602 -12.416 1.00 6.61 H new ATOM 0 HD2 PRO A 105 5.928 16.850 -9.769 1.00 6.47 H new ATOM 0 HD3 PRO A 105 4.851 17.167 -11.115 1.00 6.47 H new ATOM 1757 N ARG A 106 6.849 13.572 -9.401 1.00 5.56 N ATOM 1758 CA ARG A 106 7.670 12.774 -8.499 1.00 5.43 C ATOM 1759 C ARG A 106 8.313 13.679 -7.447 1.00 5.72 C ATOM 1760 O ARG A 106 7.691 14.637 -6.987 1.00 6.01 O ATOM 1761 CB ARG A 106 8.742 11.998 -9.277 1.00 5.69 C ATOM 1762 CG ARG A 106 9.112 10.671 -8.626 1.00 6.20 C ATOM 1763 CD ARG A 106 10.453 10.146 -9.118 1.00 6.57 C ATOM 1764 NE ARG A 106 10.863 8.942 -8.393 1.00 6.84 N ATOM 1765 CZ ARG A 106 12.116 8.489 -8.348 1.00 7.39 C ATOM 1766 NH1 ARG A 106 13.087 9.136 -8.981 1.00 7.71 N ATOM 1767 NH2 ARG A 106 12.400 7.385 -7.667 1.00 7.84 N ATOM 0 H ARG A 106 7.066 14.569 -9.388 1.00 5.56 H new ATOM 0 HA ARG A 106 7.032 12.047 -7.996 1.00 5.43 H new ATOM 0 HB2 ARG A 106 8.384 11.811 -10.289 1.00 5.69 H new ATOM 0 HB3 ARG A 106 9.637 12.615 -9.364 1.00 5.69 H new ATOM 0 HG2 ARG A 106 9.147 10.796 -7.544 1.00 6.20 H new ATOM 0 HG3 ARG A 106 8.336 9.935 -8.837 1.00 6.20 H new ATOM 0 HD2 ARG A 106 10.388 9.925 -10.183 1.00 6.57 H new ATOM 0 HD3 ARG A 106 11.212 10.919 -8.998 1.00 6.57 H new ATOM 0 HE ARG A 106 10.146 8.418 -7.892 1.00 6.84 H new ATOM 0 HH11 ARG A 106 12.876 9.985 -9.506 1.00 7.71 H new ATOM 0 HH12 ARG A 106 14.044 8.784 -8.943 1.00 7.71 H new ATOM 0 HH21 ARG A 106 11.659 6.883 -7.178 1.00 7.84 H new ATOM 0 HH22 ARG A 106 13.359 7.039 -7.633 1.00 7.84 H new ATOM 1781 N LYS A 107 9.553 13.376 -7.068 1.00 5.92 N ATOM 1782 CA LYS A 107 10.265 14.175 -6.075 1.00 6.42 C ATOM 1783 C LYS A 107 11.005 15.338 -6.736 1.00 6.87 C ATOM 1784 O LYS A 107 10.826 16.485 -6.278 1.00 7.06 O ATOM 1785 CB LYS A 107 11.240 13.300 -5.276 1.00 6.74 C ATOM 1786 CG LYS A 107 12.169 12.450 -6.131 1.00 7.12 C ATOM 1787 CD LYS A 107 13.098 11.610 -5.270 1.00 7.73 C ATOM 1788 CE LYS A 107 14.170 10.926 -6.102 1.00 8.18 C ATOM 1789 NZ LYS A 107 15.084 10.106 -5.264 1.00 8.47 N ATOM 1790 OXT LYS A 107 11.743 15.094 -7.714 1.00 7.27 O ATOM 0 H LYS A 107 10.084 12.585 -7.433 1.00 5.92 H new ATOM 0 HA LYS A 107 9.530 14.590 -5.386 1.00 6.42 H new ATOM 0 HB2 LYS A 107 11.843 13.942 -4.634 1.00 6.74 H new ATOM 0 HB3 LYS A 107 10.667 12.644 -4.621 1.00 6.74 H new ATOM 0 HG2 LYS A 107 11.579 11.798 -6.776 1.00 7.12 H new ATOM 0 HG3 LYS A 107 12.758 13.095 -6.783 1.00 7.12 H new ATOM 0 HD2 LYS A 107 13.569 12.243 -4.518 1.00 7.73 H new ATOM 0 HD3 LYS A 107 12.518 10.858 -4.735 1.00 7.73 H new ATOM 0 HE2 LYS A 107 13.698 10.291 -6.852 1.00 8.18 H new ATOM 0 HE3 LYS A 107 14.747 11.678 -6.639 1.00 8.18 H new ATOM 0 HZ1 LYS A 107 15.943 9.880 -5.806 1.00 8.47 H new ATOM 0 HZ2 LYS A 107 15.343 10.639 -4.410 1.00 8.47 H new ATOM 0 HZ3 LYS A 107 14.606 9.224 -4.990 1.00 8.47 H new TER 1804 LYS A 107 ATOM 1805 OP3 DT B 1 -5.853 -26.379 -7.651 1.00 2.61 O ATOM 1806 P DT B 1 -6.995 -26.393 -6.541 1.00 2.20 P ATOM 1807 OP1 DT B 1 -7.101 -27.764 -5.982 1.00 2.80 O ATOM 1808 OP2 DT B 1 -6.758 -25.247 -5.624 1.00 2.56 O ATOM 1809 O5' DT B 1 -8.341 -26.108 -7.344 1.00 2.08 O ATOM 1810 C5' DT B 1 -8.555 -26.646 -8.652 1.00 2.25 C ATOM 1811 C4' DT B 1 -8.981 -25.555 -9.604 1.00 2.22 C ATOM 1812 O4' DT B 1 -10.191 -24.948 -9.082 1.00 2.06 O ATOM 1813 C3' DT B 1 -7.943 -24.426 -9.648 1.00 2.18 C ATOM 1814 O3' DT B 1 -8.052 -23.605 -10.823 1.00 2.29 O ATOM 1815 C2' DT B 1 -8.367 -23.545 -8.492 1.00 1.96 C ATOM 1816 C1' DT B 1 -9.885 -23.666 -8.562 1.00 1.91 C ATOM 1817 N1 DT B 1 -10.608 -23.424 -7.288 1.00 1.72 N ATOM 1818 C2 DT B 1 -11.291 -22.228 -7.233 1.00 1.61 C ATOM 1819 O2 DT B 1 -11.361 -21.459 -8.178 1.00 1.71 O ATOM 1820 N3 DT B 1 -11.892 -21.953 -6.036 1.00 1.49 N ATOM 1821 C4 DT B 1 -11.906 -22.746 -4.912 1.00 1.49 C ATOM 1822 O4 DT B 1 -12.461 -22.332 -3.885 1.00 1.48 O ATOM 1823 C5 DT B 1 -11.201 -24.010 -5.040 1.00 1.64 C ATOM 1824 C7 DT B 1 -11.156 -24.929 -3.857 1.00 1.78 C ATOM 1825 C6 DT B 1 -10.594 -24.292 -6.212 1.00 1.74 C ATOM 0 H5' DT B 1 -9.319 -27.422 -8.613 1.00 2.25 H new ATOM 0 H5'' DT B 1 -7.641 -27.117 -9.013 1.00 2.25 H new ATOM 0 H4' DT B 1 -9.109 -25.998 -10.592 1.00 2.22 H new ATOM 0 H3' DT B 1 -6.933 -24.834 -9.623 1.00 2.18 H new ATOM 0 H2' DT B 1 -7.970 -23.898 -7.540 1.00 1.96 H new ATOM 0 H2'' DT B 1 -8.031 -22.515 -8.616 1.00 1.96 H new ATOM 0 H1' DT B 1 -10.239 -22.865 -9.211 1.00 1.91 H new ATOM 0 H3 DT B 1 -12.384 -21.062 -5.969 1.00 1.49 H new ATOM 0 H71 DT B 1 -11.101 -25.962 -4.201 1.00 1.78 H new ATOM 0 H72 DT B 1 -10.278 -24.701 -3.252 1.00 1.78 H new ATOM 0 H73 DT B 1 -12.056 -24.794 -3.257 1.00 1.78 H new ATOM 0 H6 DT B 1 -10.076 -25.234 -6.313 1.00 1.74 H new ATOM 1839 P DA B 2 -6.995 -22.390 -11.047 1.00 2.27 P ATOM 1840 OP1 DA B 2 -7.015 -21.906 -12.441 1.00 2.47 O ATOM 1841 OP2 DA B 2 -5.677 -22.833 -10.531 1.00 2.19 O ATOM 1842 O5' DA B 2 -7.597 -21.279 -10.073 1.00 2.12 O ATOM 1843 C5' DA B 2 -9.015 -20.984 -10.144 1.00 2.18 C ATOM 1844 C4' DA B 2 -9.245 -19.517 -9.867 1.00 2.16 C ATOM 1845 O4' DA B 2 -9.222 -19.306 -8.419 1.00 1.98 O ATOM 1846 C3' DA B 2 -8.192 -18.550 -10.403 1.00 2.19 C ATOM 1847 O3' DA B 2 -8.711 -17.235 -10.585 1.00 2.28 O ATOM 1848 C2' DA B 2 -7.155 -18.528 -9.293 1.00 1.97 C ATOM 1849 C1' DA B 2 -8.020 -18.662 -8.047 1.00 1.86 C ATOM 1850 N9 DA B 2 -7.390 -19.466 -6.964 1.00 1.69 N ATOM 1851 C8 DA B 2 -6.614 -20.586 -7.081 1.00 1.68 C ATOM 1852 N7 DA B 2 -6.216 -21.064 -5.940 1.00 1.57 N ATOM 1853 C5 DA B 2 -6.754 -20.195 -5.010 1.00 1.48 C ATOM 1854 C6 DA B 2 -6.698 -20.155 -3.600 1.00 1.40 C ATOM 1855 N6 DA B 2 -6.024 -21.056 -2.868 1.00 1.38 N ATOM 1856 N1 DA B 2 -7.355 -19.160 -2.984 1.00 1.40 N ATOM 1857 C2 DA B 2 -8.016 -18.271 -3.722 1.00 1.49 C ATOM 1858 N3 DA B 2 -8.150 -18.204 -5.027 1.00 1.58 N ATOM 1859 C4 DA B 2 -7.484 -19.213 -5.618 1.00 1.56 C ATOM 0 H5' DA B 2 -9.559 -21.590 -9.420 1.00 2.18 H new ATOM 0 H5'' DA B 2 -9.401 -21.243 -11.130 1.00 2.18 H new ATOM 0 H4' DA B 2 -10.189 -19.304 -10.368 1.00 2.16 H new ATOM 0 H3' DA B 2 -7.813 -18.860 -11.377 1.00 2.19 H new ATOM 0 H2' DA B 2 -6.442 -19.348 -9.385 1.00 1.97 H new ATOM 0 H2'' DA B 2 -6.579 -17.603 -9.292 1.00 1.97 H new ATOM 0 H1' DA B 2 -8.176 -17.657 -7.655 1.00 1.86 H new ATOM 0 H8 DA B 2 -6.357 -21.031 -8.031 1.00 1.68 H new ATOM 0 H61 DA B 2 -6.015 -20.982 -1.851 1.00 1.38 H new ATOM 0 H62 DA B 2 -5.521 -21.814 -3.329 1.00 1.38 H new ATOM 0 H2 DA B 2 -8.515 -17.491 -3.167 1.00 1.49 H new ATOM 1871 P DC B 3 -7.717 -15.988 -10.548 1.00 2.25 P ATOM 1872 OP1 DC B 3 -8.215 -14.927 -11.444 1.00 2.46 O ATOM 1873 OP2 DC B 3 -6.333 -16.459 -10.808 1.00 2.18 O ATOM 1874 O5' DC B 3 -7.843 -15.527 -9.029 1.00 2.07 O ATOM 1875 C5' DC B 3 -9.165 -15.401 -8.444 1.00 2.12 C ATOM 1876 C4' DC B 3 -9.179 -14.264 -7.450 1.00 2.08 C ATOM 1877 O4' DC B 3 -8.613 -14.739 -6.189 1.00 1.87 O ATOM 1878 C3' DC B 3 -8.334 -13.041 -7.805 1.00 2.12 C ATOM 1879 O3' DC B 3 -8.795 -11.862 -7.153 1.00 2.20 O ATOM 1880 C2' DC B 3 -6.963 -13.410 -7.263 1.00 1.90 C ATOM 1881 C1' DC B 3 -7.316 -14.200 -6.011 1.00 1.76 C ATOM 1882 N1 DC B 3 -6.389 -15.331 -5.734 1.00 1.58 N ATOM 1883 C2 DC B 3 -6.066 -15.595 -4.405 1.00 1.43 C ATOM 1884 O2 DC B 3 -6.555 -14.885 -3.516 1.00 1.46 O ATOM 1885 N3 DC B 3 -5.221 -16.621 -4.132 1.00 1.31 N ATOM 1886 C4 DC B 3 -4.711 -17.370 -5.116 1.00 1.34 C ATOM 1887 N4 DC B 3 -3.894 -18.360 -4.791 1.00 1.29 N ATOM 1888 C5 DC B 3 -5.023 -17.114 -6.487 1.00 1.50 C ATOM 1889 C6 DC B 3 -5.875 -16.083 -6.738 1.00 1.61 C ATOM 0 H5' DC B 3 -9.444 -16.332 -7.950 1.00 2.12 H new ATOM 0 H5'' DC B 3 -9.903 -15.222 -9.226 1.00 2.12 H new ATOM 0 H4' DC B 3 -10.225 -13.958 -7.420 1.00 2.08 H new ATOM 0 H3' DC B 3 -8.360 -12.822 -8.872 1.00 2.12 H new ATOM 0 H2' DC B 3 -6.391 -14.007 -7.974 1.00 1.90 H new ATOM 0 H2'' DC B 3 -6.365 -12.528 -7.033 1.00 1.90 H new ATOM 0 H1' DC B 3 -7.248 -13.513 -5.168 1.00 1.76 H new ATOM 0 H41 DC B 3 -3.490 -18.948 -5.520 1.00 1.29 H new ATOM 0 H42 DC B 3 -3.669 -18.535 -3.812 1.00 1.29 H new ATOM 0 H5 DC B 3 -4.603 -17.709 -7.284 1.00 1.50 H new ATOM 0 H6 DC B 3 -6.147 -15.859 -7.759 1.00 1.61 H new ATOM 1901 P DA B 4 -7.775 -10.663 -6.891 1.00 2.17 P ATOM 1902 OP1 DA B 4 -8.495 -9.374 -6.942 1.00 2.39 O ATOM 1903 OP2 DA B 4 -6.620 -10.796 -7.810 1.00 2.13 O ATOM 1904 O5' DA B 4 -7.304 -10.967 -5.399 1.00 1.97 O ATOM 1905 C5' DA B 4 -8.307 -11.280 -4.401 1.00 2.00 C ATOM 1906 C4' DA B 4 -7.880 -10.736 -3.058 1.00 1.94 C ATOM 1907 O4' DA B 4 -6.922 -11.666 -2.460 1.00 1.72 O ATOM 1908 C3' DA B 4 -7.145 -9.398 -3.071 1.00 1.99 C ATOM 1909 O3' DA B 4 -7.255 -8.710 -1.827 1.00 2.06 O ATOM 1910 C2' DA B 4 -5.698 -9.808 -3.290 1.00 1.77 C ATOM 1911 C1' DA B 4 -5.620 -11.121 -2.523 1.00 1.61 C ATOM 1912 N9 DA B 4 -4.732 -12.133 -3.155 1.00 1.44 N ATOM 1913 C8 DA B 4 -4.558 -12.393 -4.487 1.00 1.47 C ATOM 1914 N7 DA B 4 -3.712 -13.350 -4.725 1.00 1.33 N ATOM 1915 C5 DA B 4 -3.290 -13.739 -3.466 1.00 1.19 C ATOM 1916 C6 DA B 4 -2.382 -14.724 -3.029 1.00 1.06 C ATOM 1917 N6 DA B 4 -1.703 -15.522 -3.873 1.00 1.05 N ATOM 1918 N1 DA B 4 -2.200 -14.855 -1.706 1.00 1.02 N ATOM 1919 C2 DA B 4 -2.876 -14.061 -0.883 1.00 1.11 C ATOM 1920 N3 DA B 4 -3.749 -13.117 -1.160 1.00 1.24 N ATOM 1921 C4 DA B 4 -3.911 -13.009 -2.493 1.00 1.26 C ATOM 0 H5' DA B 4 -8.447 -12.359 -4.339 1.00 2.00 H new ATOM 0 H5'' DA B 4 -9.266 -10.850 -4.689 1.00 2.00 H new ATOM 0 H4' DA B 4 -8.819 -10.605 -2.520 1.00 1.94 H new ATOM 0 H3' DA B 4 -7.547 -8.720 -3.824 1.00 1.99 H new ATOM 0 H2' DA B 4 -5.467 -9.939 -4.347 1.00 1.77 H new ATOM 0 H2'' DA B 4 -5.001 -9.066 -2.901 1.00 1.77 H new ATOM 0 H1' DA B 4 -5.203 -10.895 -1.542 1.00 1.61 H new ATOM 0 H8 DA B 4 -5.075 -11.854 -5.267 1.00 1.47 H new ATOM 0 H61 DA B 4 -1.057 -16.220 -3.506 1.00 1.05 H new ATOM 0 H62 DA B 4 -1.835 -15.429 -4.880 1.00 1.05 H new ATOM 0 H2 DA B 4 -2.680 -14.213 0.168 1.00 1.11 H new ATOM 1933 P DA B 5 -6.132 -7.655 -1.415 1.00 2.04 P ATOM 1934 OP1 DA B 5 -6.733 -6.582 -0.598 1.00 2.25 O ATOM 1935 OP2 DA B 5 -5.405 -7.214 -2.630 1.00 2.01 O ATOM 1936 O5' DA B 5 -5.168 -8.552 -0.516 1.00 1.83 O ATOM 1937 C5' DA B 5 -5.752 -9.403 0.499 1.00 1.84 C ATOM 1938 C4' DA B 5 -4.825 -9.489 1.691 1.00 1.79 C ATOM 1939 O4' DA B 5 -3.780 -10.471 1.400 1.00 1.56 O ATOM 1940 C3' DA B 5 -4.061 -8.216 2.047 1.00 1.85 C ATOM 1941 O3' DA B 5 -3.658 -8.194 3.415 1.00 1.93 O ATOM 1942 C2' DA B 5 -2.826 -8.306 1.165 1.00 1.64 C ATOM 1943 C1' DA B 5 -2.557 -9.806 1.144 1.00 1.47 C ATOM 1944 N9 DA B 5 -2.035 -10.303 -0.157 1.00 1.29 N ATOM 1945 C8 DA B 5 -2.381 -9.901 -1.419 1.00 1.33 C ATOM 1946 N7 DA B 5 -1.746 -10.537 -2.359 1.00 1.20 N ATOM 1947 C5 DA B 5 -0.917 -11.404 -1.672 1.00 1.03 C ATOM 1948 C6 DA B 5 0.020 -12.367 -2.102 1.00 0.89 C ATOM 1949 N6 DA B 5 0.287 -12.601 -3.397 1.00 0.91 N ATOM 1950 N1 DA B 5 0.664 -13.068 -1.157 1.00 0.84 N ATOM 1951 C2 DA B 5 0.393 -12.825 0.122 1.00 0.93 C ATOM 1952 N3 DA B 5 -0.454 -11.968 0.649 1.00 1.07 N ATOM 1953 C4 DA B 5 -1.087 -11.283 -0.323 1.00 1.10 C ATOM 0 H5' DA B 5 -5.931 -10.399 0.093 1.00 1.84 H new ATOM 0 H5'' DA B 5 -6.719 -9.006 0.807 1.00 1.84 H new ATOM 0 H4' DA B 5 -5.488 -9.731 2.522 1.00 1.79 H new ATOM 0 H3' DA B 5 -4.667 -7.322 1.898 1.00 1.85 H new ATOM 0 H2' DA B 5 -3.009 -7.911 0.166 1.00 1.64 H new ATOM 0 H2'' DA B 5 -1.987 -7.747 1.580 1.00 1.64 H new ATOM 0 H1' DA B 5 -1.794 -10.005 1.896 1.00 1.47 H new ATOM 0 H8 DA B 5 -3.111 -9.130 -1.615 1.00 1.33 H new ATOM 0 H61 DA B 5 0.974 -13.309 -3.656 1.00 0.91 H new ATOM 0 H62 DA B 5 -0.197 -12.071 -4.121 1.00 0.91 H new ATOM 0 H2 DA B 5 0.950 -13.418 0.832 1.00 0.93 H new ATOM 1965 P DT B 6 -2.396 -7.320 3.845 1.00 1.92 P ATOM 1966 OP1 DT B 6 -2.581 -6.822 5.222 1.00 2.14 O ATOM 1967 OP2 DT B 6 -2.138 -6.291 2.810 1.00 1.89 O ATOM 1968 O5' DT B 6 -1.230 -8.410 3.810 1.00 1.71 O ATOM 1969 C5' DT B 6 -1.457 -9.695 4.441 1.00 1.72 C ATOM 1970 C4' DT B 6 -0.166 -10.206 5.038 1.00 1.68 C ATOM 1971 O4' DT B 6 0.632 -10.814 3.972 1.00 1.45 O ATOM 1972 C3' DT B 6 0.761 -9.157 5.651 1.00 1.76 C ATOM 1973 O3' DT B 6 1.637 -9.719 6.626 1.00 1.86 O ATOM 1974 C2' DT B 6 1.576 -8.687 4.458 1.00 1.55 C ATOM 1975 C1' DT B 6 1.715 -9.968 3.643 1.00 1.36 C ATOM 1976 N1 DT B 6 1.690 -9.749 2.172 1.00 1.16 N ATOM 1977 C2 DT B 6 2.529 -10.526 1.403 1.00 0.98 C ATOM 1978 O2 DT B 6 3.270 -11.368 1.881 1.00 0.99 O ATOM 1979 N3 DT B 6 2.471 -10.291 0.043 1.00 0.85 N ATOM 1980 C4 DT B 6 1.676 -9.369 -0.596 1.00 0.93 C ATOM 1981 O4 DT B 6 1.711 -9.246 -1.827 1.00 0.91 O ATOM 1982 C5 DT B 6 0.835 -8.597 0.288 1.00 1.14 C ATOM 1983 C7 DT B 6 -0.055 -7.585 -0.367 1.00 1.31 C ATOM 1984 C6 DT B 6 0.860 -8.804 1.619 1.00 1.23 C ATOM 0 H5' DT B 6 -1.837 -10.408 3.709 1.00 1.72 H new ATOM 0 H5'' DT B 6 -2.216 -9.600 5.218 1.00 1.72 H new ATOM 0 H4' DT B 6 -0.493 -10.876 5.833 1.00 1.68 H new ATOM 0 H3' DT B 6 0.206 -8.371 6.163 1.00 1.76 H new ATOM 0 H2' DT B 6 1.066 -7.902 3.900 1.00 1.55 H new ATOM 0 H2'' DT B 6 2.545 -8.287 4.758 1.00 1.55 H new ATOM 0 H1' DT B 6 2.685 -10.399 3.889 1.00 1.36 H new ATOM 0 H3 DT B 6 3.079 -10.859 -0.547 1.00 0.85 H new ATOM 0 H71 DT B 6 -0.960 -7.457 0.227 1.00 1.31 H new ATOM 0 H72 DT B 6 0.469 -6.632 -0.439 1.00 1.31 H new ATOM 0 H73 DT B 6 -0.323 -7.929 -1.366 1.00 1.31 H new ATOM 0 H6 DT B 6 0.218 -8.219 2.261 1.00 1.23 H new ATOM 1997 P DA B 7 3.026 -8.998 6.936 1.00 1.87 P ATOM 1998 OP1 DA B 7 3.391 -9.211 8.350 1.00 2.11 O ATOM 1999 OP2 DA B 7 2.952 -7.585 6.490 1.00 1.84 O ATOM 2000 O5' DA B 7 4.020 -9.803 5.986 1.00 1.65 O ATOM 2001 C5' DA B 7 3.955 -11.251 5.974 1.00 1.65 C ATOM 2002 C4' DA B 7 5.338 -11.823 5.761 1.00 1.62 C ATOM 2003 O4' DA B 7 5.647 -11.776 4.331 1.00 1.37 O ATOM 2004 C3' DA B 7 6.493 -11.072 6.419 1.00 1.73 C ATOM 2005 O3' DA B 7 7.626 -11.908 6.635 1.00 1.83 O ATOM 2006 C2' DA B 7 6.843 -10.013 5.387 1.00 1.51 C ATOM 2007 C1' DA B 7 6.588 -10.752 4.077 1.00 1.30 C ATOM 2008 N9 DA B 7 6.038 -9.885 2.997 1.00 1.09 N ATOM 2009 C8 DA B 7 5.135 -8.863 3.109 1.00 1.14 C ATOM 2010 N7 DA B 7 4.847 -8.299 1.975 1.00 0.99 N ATOM 2011 C5 DA B 7 5.622 -8.985 1.057 1.00 0.80 C ATOM 2012 C6 DA B 7 5.772 -8.866 -0.340 1.00 0.64 C ATOM 2013 N6 DA B 7 5.115 -7.952 -1.072 1.00 0.69 N ATOM 2014 N1 DA B 7 6.617 -9.713 -0.946 1.00 0.57 N ATOM 2015 C2 DA B 7 7.263 -10.613 -0.211 1.00 0.68 C ATOM 2016 N3 DA B 7 7.207 -10.829 1.085 1.00 0.84 N ATOM 2017 C4 DA B 7 6.352 -9.965 1.664 1.00 0.88 C ATOM 0 H5' DA B 7 3.286 -11.588 5.182 1.00 1.65 H new ATOM 0 H5'' DA B 7 3.542 -11.614 6.915 1.00 1.65 H new ATOM 0 H4' DA B 7 5.280 -12.816 6.207 1.00 1.62 H new ATOM 0 H3' DA B 7 6.218 -10.682 7.399 1.00 1.73 H new ATOM 0 H2' DA B 7 6.217 -9.126 5.484 1.00 1.51 H new ATOM 0 H2'' DA B 7 7.878 -9.684 5.475 1.00 1.51 H new ATOM 0 H1' DA B 7 7.549 -11.131 3.730 1.00 1.30 H new ATOM 0 H8 DA B 7 4.703 -8.555 4.050 1.00 1.14 H new ATOM 0 H61 DA B 7 5.259 -7.907 -2.081 1.00 0.69 H new ATOM 0 H62 DA B 7 4.472 -7.302 -0.619 1.00 0.69 H new ATOM 0 H2 DA B 7 7.931 -11.261 -0.758 1.00 0.68 H new ATOM 2029 P DT B 8 9.077 -11.253 6.733 1.00 1.86 P ATOM 2030 OP1 DT B 8 9.921 -12.044 7.647 1.00 2.10 O ATOM 2031 OP2 DT B 8 8.939 -9.812 7.061 1.00 1.84 O ATOM 2032 O5' DT B 8 9.598 -11.408 5.234 1.00 1.63 O ATOM 2033 C5' DT B 8 9.436 -12.687 4.569 1.00 1.61 C ATOM 2034 C4' DT B 8 10.602 -12.929 3.639 1.00 1.57 C ATOM 2035 O4' DT B 8 10.367 -12.195 2.395 1.00 1.32 O ATOM 2036 C3' DT B 8 11.965 -12.433 4.117 1.00 1.70 C ATOM 2037 O3' DT B 8 13.041 -13.135 3.498 1.00 1.78 O ATOM 2038 C2' DT B 8 11.982 -10.986 3.651 1.00 1.49 C ATOM 2039 C1' DT B 8 11.216 -11.066 2.337 1.00 1.26 C ATOM 2040 N1 DT B 8 10.368 -9.875 2.063 1.00 1.06 N ATOM 2041 C2 DT B 8 10.292 -9.440 0.756 1.00 0.85 C ATOM 2042 O2 DT B 8 10.884 -9.990 -0.156 1.00 0.85 O ATOM 2043 N3 DT B 8 9.493 -8.332 0.548 1.00 0.71 N ATOM 2044 C4 DT B 8 8.786 -7.639 1.504 1.00 0.82 C ATOM 2045 O4 DT B 8 8.101 -6.657 1.196 1.00 0.80 O ATOM 2046 C5 DT B 8 8.930 -8.162 2.841 1.00 1.04 C ATOM 2047 C7 DT B 8 8.169 -7.441 3.914 1.00 1.22 C ATOM 2048 C6 DT B 8 9.695 -9.244 3.082 1.00 1.14 C ATOM 0 H5' DT B 8 8.502 -12.700 4.008 1.00 1.61 H new ATOM 0 H5'' DT B 8 9.375 -13.487 5.307 1.00 1.61 H new ATOM 0 H4' DT B 8 10.646 -14.015 3.553 1.00 1.57 H new ATOM 0 H3' DT B 8 12.094 -12.570 5.191 1.00 1.70 H new ATOM 0 H2' DT B 8 11.497 -10.322 4.366 1.00 1.49 H new ATOM 0 H2'' DT B 8 12.997 -10.615 3.509 1.00 1.49 H new ATOM 0 H1' DT B 8 11.956 -11.127 1.539 1.00 1.26 H new ATOM 0 H3 DT B 8 9.420 -7.993 -0.411 1.00 0.71 H new ATOM 0 H71 DT B 8 8.068 -6.390 3.645 1.00 1.22 H new ATOM 0 H72 DT B 8 7.179 -7.885 4.019 1.00 1.22 H new ATOM 0 H73 DT B 8 8.706 -7.524 4.859 1.00 1.22 H new ATOM 0 H6 DT B 8 9.781 -9.621 4.090 1.00 1.14 H new ATOM 2061 P DA B 9 14.466 -12.431 3.371 1.00 1.82 P ATOM 2062 OP1 DA B 9 15.532 -13.449 3.440 1.00 2.06 O ATOM 2063 OP2 DA B 9 14.556 -11.329 4.359 1.00 1.83 O ATOM 2064 O5' DA B 9 14.388 -11.819 1.901 1.00 1.59 O ATOM 2065 C5' DA B 9 13.909 -12.660 0.820 1.00 1.55 C ATOM 2066 C4' DA B 9 14.633 -12.308 -0.459 1.00 1.52 C ATOM 2067 O4' DA B 9 14.007 -11.120 -1.040 1.00 1.27 O ATOM 2068 C3' DA B 9 16.107 -11.930 -0.324 1.00 1.65 C ATOM 2069 O3' DA B 9 16.831 -12.139 -1.533 1.00 1.73 O ATOM 2070 C2' DA B 9 16.046 -10.439 -0.028 1.00 1.46 C ATOM 2071 C1' DA B 9 14.849 -9.999 -0.858 1.00 1.23 C ATOM 2072 N9 DA B 9 14.041 -8.924 -0.220 1.00 1.04 N ATOM 2073 C8 DA B 9 13.740 -8.761 1.105 1.00 1.11 C ATOM 2074 N7 DA B 9 13.004 -7.719 1.349 1.00 0.98 N ATOM 2075 C5 DA B 9 12.819 -7.148 0.101 1.00 0.79 C ATOM 2076 C6 DA B 9 12.115 -6.001 -0.324 1.00 0.64 C ATOM 2077 N6 DA B 9 11.451 -5.192 0.521 1.00 0.71 N ATOM 2078 N1 DA B 9 12.123 -5.723 -1.634 1.00 0.57 N ATOM 2079 C2 DA B 9 12.784 -6.530 -2.460 1.00 0.66 C ATOM 2080 N3 DA B 9 13.467 -7.622 -2.192 1.00 0.79 N ATOM 2081 C4 DA B 9 13.440 -7.876 -0.871 1.00 0.84 C ATOM 0 H5' DA B 9 12.835 -12.525 0.690 1.00 1.55 H new ATOM 0 H5'' DA B 9 14.071 -13.710 1.064 1.00 1.55 H new ATOM 0 H4' DA B 9 14.569 -13.220 -1.052 1.00 1.52 H new ATOM 0 H3' DA B 9 16.614 -12.528 0.434 1.00 1.65 H new ATOM 0 H2' DA B 9 15.901 -10.240 1.034 1.00 1.46 H new ATOM 0 H2'' DA B 9 16.960 -9.926 -0.327 1.00 1.46 H new ATOM 0 H1' DA B 9 15.239 -9.600 -1.795 1.00 1.23 H new ATOM 0 H8 DA B 9 14.082 -9.436 1.876 1.00 1.11 H new ATOM 0 H61 DA B 9 10.957 -4.375 0.162 1.00 0.71 H new ATOM 0 H62 DA B 9 11.441 -5.396 1.520 1.00 0.71 H new ATOM 0 H2 DA B 9 12.756 -6.247 -3.502 1.00 0.66 H new ATOM 2093 P DA B 10 18.153 -11.292 -1.810 1.00 1.78 P ATOM 2094 OP1 DA B 10 19.100 -12.095 -2.608 1.00 2.00 O ATOM 2095 OP2 DA B 10 18.672 -10.762 -0.528 1.00 1.80 O ATOM 2096 O5' DA B 10 17.581 -10.089 -2.687 1.00 1.56 O ATOM 2097 C5' DA B 10 16.685 -10.390 -3.786 1.00 1.52 C ATOM 2098 C4' DA B 10 16.911 -9.409 -4.914 1.00 1.50 C ATOM 2099 O4' DA B 10 16.195 -8.170 -4.605 1.00 1.26 O ATOM 2100 C3' DA B 10 18.351 -8.963 -5.148 1.00 1.63 C ATOM 2101 O3' DA B 10 18.563 -8.506 -6.481 1.00 1.72 O ATOM 2102 C2' DA B 10 18.505 -7.793 -4.190 1.00 1.46 C ATOM 2103 C1' DA B 10 17.118 -7.165 -4.228 1.00 1.24 C ATOM 2104 N9 DA B 10 16.674 -6.607 -2.925 1.00 1.07 N ATOM 2105 C8 DA B 10 16.893 -7.106 -1.669 1.00 1.12 C ATOM 2106 N7 DA B 10 16.369 -6.387 -0.722 1.00 1.02 N ATOM 2107 C5 DA B 10 15.778 -5.333 -1.398 1.00 0.85 C ATOM 2108 C6 DA B 10 15.045 -4.212 -0.956 1.00 0.74 C ATOM 2109 N6 DA B 10 14.793 -3.966 0.340 1.00 0.81 N ATOM 2110 N1 DA B 10 14.589 -3.365 -1.890 1.00 0.69 N ATOM 2111 C2 DA B 10 14.845 -3.619 -3.170 1.00 0.76 C ATOM 2112 N3 DA B 10 15.504 -4.622 -3.707 1.00 0.86 N ATOM 2113 C4 DA B 10 15.946 -5.455 -2.746 1.00 0.89 C ATOM 0 H5' DA B 10 15.650 -10.338 -3.448 1.00 1.52 H new ATOM 0 H5'' DA B 10 16.855 -11.408 -4.137 1.00 1.52 H new ATOM 0 H4' DA B 10 16.575 -9.949 -5.799 1.00 1.50 H new ATOM 0 H3' DA B 10 19.059 -9.777 -4.993 1.00 1.63 H new ATOM 0 H2' DA B 10 18.777 -8.121 -3.187 1.00 1.46 H new ATOM 0 H2'' DA B 10 19.277 -7.097 -4.518 1.00 1.46 H new ATOM 0 H1' DA B 10 17.163 -6.336 -4.934 1.00 1.24 H new ATOM 0 H8 DA B 10 17.449 -8.013 -1.483 1.00 1.12 H new ATOM 0 H61 DA B 10 14.257 -3.140 0.608 1.00 0.81 H new ATOM 0 H62 DA B 10 15.137 -4.605 1.057 1.00 0.81 H new ATOM 0 H2 DA B 10 14.455 -2.896 -3.871 1.00 0.76 H new ATOM 2125 P DC B 11 19.747 -7.478 -6.777 1.00 1.78 P ATOM 2126 OP1 DC B 11 20.279 -7.708 -8.135 1.00 2.00 O ATOM 2127 OP2 DC B 11 20.735 -7.539 -5.674 1.00 1.79 O ATOM 2128 O5' DC B 11 18.975 -6.083 -6.720 1.00 1.58 O ATOM 2129 C5' DC B 11 17.720 -5.951 -7.434 1.00 1.55 C ATOM 2130 C4' DC B 11 17.580 -4.544 -7.965 1.00 1.54 C ATOM 2131 O4' DC B 11 17.113 -3.678 -6.882 1.00 1.33 O ATOM 2132 C3' DC B 11 18.861 -3.874 -8.456 1.00 1.68 C ATOM 2133 O3' DC B 11 18.599 -2.835 -9.397 1.00 1.78 O ATOM 2134 C2' DC B 11 19.434 -3.266 -7.187 1.00 1.51 C ATOM 2135 C1' DC B 11 18.174 -2.858 -6.435 1.00 1.31 C ATOM 2136 N1 DC B 11 18.279 -3.016 -4.959 1.00 1.14 N ATOM 2137 C2 DC B 11 17.674 -2.050 -4.157 1.00 1.00 C ATOM 2138 O2 DC B 11 17.083 -1.106 -4.697 1.00 1.03 O ATOM 2139 N3 DC B 11 17.761 -2.176 -2.809 1.00 0.91 N ATOM 2140 C4 DC B 11 18.407 -3.209 -2.255 1.00 0.98 C ATOM 2141 N4 DC B 11 18.456 -3.286 -0.935 1.00 1.00 N ATOM 2142 C5 DC B 11 19.040 -4.210 -3.057 1.00 1.14 C ATOM 2143 C6 DC B 11 18.939 -4.065 -4.407 1.00 1.20 C ATOM 0 H5' DC B 11 16.887 -6.184 -6.770 1.00 1.55 H new ATOM 0 H5'' DC B 11 17.682 -6.665 -8.256 1.00 1.55 H new ATOM 0 H4' DC B 11 16.905 -4.653 -8.814 1.00 1.54 H new ATOM 0 H3' DC B 11 19.520 -4.578 -8.963 1.00 1.68 H new ATOM 0 H2' DC B 11 20.031 -3.984 -6.624 1.00 1.51 H new ATOM 0 H2'' DC B 11 20.078 -2.412 -7.398 1.00 1.51 H new ATOM 0 H1' DC B 11 18.011 -1.799 -6.637 1.00 1.31 H new ATOM 0 H41 DC B 11 18.942 -4.063 -0.487 1.00 1.00 H new ATOM 0 H42 DC B 11 18.008 -2.568 -0.365 1.00 1.00 H new ATOM 0 H5 DC B 11 19.571 -5.039 -2.614 1.00 1.14 H new ATOM 0 H6 DC B 11 19.394 -4.801 -5.053 1.00 1.20 H new ATOM 2155 P DG B 12 19.657 -1.655 -9.573 1.00 1.84 P ATOM 2156 OP1 DG B 12 19.638 -1.171 -10.969 1.00 2.07 O ATOM 2157 OP2 DG B 12 20.975 -2.097 -9.060 1.00 1.85 O ATOM 2158 O5' DG B 12 19.055 -0.543 -8.603 1.00 1.66 O ATOM 2159 C5' DG B 12 17.637 -0.248 -8.672 1.00 1.64 C ATOM 2160 C4' DG B 12 17.405 1.219 -8.394 1.00 1.65 C ATOM 2161 O4' DG B 12 17.428 1.431 -6.946 1.00 1.44 O ATOM 2162 C3' DG B 12 18.459 2.185 -8.931 1.00 1.78 C ATOM 2163 O3' DG B 12 17.941 3.500 -9.114 1.00 1.89 O ATOM 2164 C2' DG B 12 19.497 2.207 -7.821 1.00 1.62 C ATOM 2165 C1' DG B 12 18.632 2.073 -6.575 1.00 1.43 C ATOM 2166 N9 DG B 12 19.260 1.270 -5.490 1.00 1.27 N ATOM 2167 C8 DG B 12 20.044 0.139 -5.585 1.00 1.29 C ATOM 2168 N7 DG B 12 20.447 -0.329 -4.431 1.00 1.20 N ATOM 2169 C5 DG B 12 19.891 0.547 -3.498 1.00 1.09 C ATOM 2170 C6 DG B 12 19.975 0.552 -2.087 1.00 1.04 C ATOM 2171 O6 DG B 12 20.566 -0.229 -1.344 1.00 1.08 O ATOM 2172 N1 DG B 12 19.258 1.629 -1.533 1.00 1.03 N ATOM 2173 C2 DG B 12 18.562 2.574 -2.259 1.00 1.08 C ATOM 2174 N2 DG B 12 17.948 3.525 -1.549 1.00 1.16 N ATOM 2175 N3 DG B 12 18.477 2.565 -3.587 1.00 1.15 N ATOM 2176 C4 DG B 12 19.161 1.531 -4.143 1.00 1.14 C ATOM 0 H5' DG B 12 17.094 -0.855 -7.947 1.00 1.64 H new ATOM 0 H5'' DG B 12 17.250 -0.506 -9.658 1.00 1.64 H new ATOM 0 H4' DG B 12 16.460 1.432 -8.893 1.00 1.65 H new ATOM 0 H3' DG B 12 18.837 1.874 -9.905 1.00 1.78 H new ATOM 0 H2' DG B 12 20.210 1.387 -7.913 1.00 1.62 H new ATOM 0 H2'' DG B 12 20.073 3.132 -7.820 1.00 1.62 H new ATOM 0 H1' DG B 12 18.478 3.079 -6.184 1.00 1.43 H new ATOM 0 H8 DG B 12 20.302 -0.320 -6.528 1.00 1.29 H new ATOM 0 H1 DG B 12 19.252 1.718 -0.517 1.00 1.03 H new ATOM 0 H21 DG B 12 17.416 4.254 -2.025 1.00 1.16 H new ATOM 0 H22 DG B 12 18.011 3.522 -0.531 1.00 1.16 H new ATOM 2188 P DT B 13 18.936 4.746 -9.077 1.00 1.95 P ATOM 2189 OP1 DT B 13 18.438 5.808 -9.972 1.00 2.17 O ATOM 2190 OP2 DT B 13 20.318 4.277 -9.335 1.00 1.96 O ATOM 2191 O5' DT B 13 18.808 5.209 -7.555 1.00 1.78 O ATOM 2192 C5' DT B 13 17.486 5.334 -6.973 1.00 1.75 C ATOM 2193 C4' DT B 13 17.472 6.473 -5.978 1.00 1.76 C ATOM 2194 O4' DT B 13 18.039 5.997 -4.716 1.00 1.57 O ATOM 2195 C3' DT B 13 18.317 7.694 -6.334 1.00 1.89 C ATOM 2196 O3' DT B 13 17.857 8.874 -5.681 1.00 1.99 O ATOM 2197 C2' DT B 13 19.690 7.326 -5.792 1.00 1.75 C ATOM 2198 C1' DT B 13 19.336 6.535 -4.539 1.00 1.57 C ATOM 2199 N1 DT B 13 20.263 5.405 -4.262 1.00 1.42 N ATOM 2200 C2 DT B 13 20.575 5.155 -2.940 1.00 1.32 C ATOM 2201 O2 DT B 13 20.124 5.814 -2.021 1.00 1.35 O ATOM 2202 N3 DT B 13 21.436 4.097 -2.730 1.00 1.25 N ATOM 2203 C4 DT B 13 22.000 3.293 -3.693 1.00 1.28 C ATOM 2204 O4 DT B 13 22.764 2.371 -3.381 1.00 1.28 O ATOM 2205 C5 DT B 13 21.623 3.631 -5.043 1.00 1.39 C ATOM 2206 C7 DT B 13 22.207 2.776 -6.126 1.00 1.50 C ATOM 2207 C6 DT B 13 20.777 4.652 -5.287 1.00 1.45 C ATOM 0 H5' DT B 13 17.206 4.404 -6.479 1.00 1.75 H new ATOM 0 H5'' DT B 13 16.749 5.513 -7.756 1.00 1.75 H new ATOM 0 H4' DT B 13 16.427 6.780 -5.947 1.00 1.76 H new ATOM 0 H3' DT B 13 18.290 7.911 -7.402 1.00 1.89 H new ATOM 0 H2' DT B 13 20.262 6.730 -6.503 1.00 1.75 H new ATOM 0 H2'' DT B 13 20.287 8.208 -5.562 1.00 1.75 H new ATOM 0 H1' DT B 13 19.403 7.222 -3.696 1.00 1.57 H new ATOM 0 H3 DT B 13 21.679 3.890 -1.761 1.00 1.25 H new ATOM 0 H71 DT B 13 23.181 2.403 -5.810 1.00 1.50 H new ATOM 0 H72 DT B 13 21.543 1.934 -6.323 1.00 1.50 H new ATOM 0 H73 DT B 13 22.322 3.367 -7.034 1.00 1.50 H new ATOM 0 H6 DT B 13 20.500 4.881 -6.305 1.00 1.45 H new ATOM 2220 P DC B 14 18.876 10.072 -5.419 1.00 2.06 P ATOM 2221 OP1 DC B 14 18.155 11.360 -5.470 1.00 2.27 O ATOM 2222 OP2 DC B 14 20.032 9.940 -6.338 1.00 2.07 O ATOM 2223 O5' DC B 14 19.347 9.769 -3.926 1.00 1.90 O ATOM 2224 C5' DC B 14 18.344 9.456 -2.929 1.00 1.87 C ATOM 2225 C4' DC B 14 18.772 9.998 -1.585 1.00 1.89 C ATOM 2226 O4' DC B 14 19.729 9.069 -0.986 1.00 1.72 O ATOM 2227 C3' DC B 14 19.506 11.339 -1.599 1.00 2.02 C ATOM 2228 O3' DC B 14 19.398 12.025 -0.355 1.00 2.12 O ATOM 2229 C2' DC B 14 20.954 10.928 -1.819 1.00 1.90 C ATOM 2230 C1' DC B 14 21.032 9.615 -1.050 1.00 1.74 C ATOM 2231 N1 DC B 14 21.920 8.603 -1.683 1.00 1.60 N ATOM 2232 C2 DC B 14 22.689 7.798 -0.846 1.00 1.52 C ATOM 2233 O2 DC B 14 22.609 7.959 0.378 1.00 1.56 O ATOM 2234 N3 DC B 14 23.506 6.871 -1.404 1.00 1.45 N ATOM 2235 C4 DC B 14 23.567 6.720 -2.734 1.00 1.46 C ATOM 2236 N4 DC B 14 24.378 5.796 -3.224 1.00 1.45 N ATOM 2237 C5 DC B 14 22.791 7.536 -3.612 1.00 1.55 C ATOM 2238 C6 DC B 14 21.977 8.459 -3.031 1.00 1.62 C ATOM 0 H5' DC B 14 18.203 8.377 -2.868 1.00 1.87 H new ATOM 0 H5'' DC B 14 17.385 9.887 -3.217 1.00 1.87 H new ATOM 0 H4' DC B 14 17.833 10.127 -1.046 1.00 1.89 H new ATOM 0 H3' DC B 14 19.103 12.017 -2.351 1.00 2.02 H new ATOM 0 H2' DC B 14 21.184 10.796 -2.876 1.00 1.90 H new ATOM 0 H2'' DC B 14 21.652 11.670 -1.431 1.00 1.90 H new ATOM 0 H1' DC B 14 21.449 9.842 -0.069 1.00 1.74 H new ATOM 0 H41 DC B 14 24.445 5.659 -4.233 1.00 1.45 H new ATOM 0 H42 DC B 14 24.936 5.221 -2.593 1.00 1.45 H new ATOM 0 H5 DC B 14 22.847 7.426 -4.685 1.00 1.55 H new ATOM 0 H6 DC B 14 21.363 9.090 -3.656 1.00 1.62 H new ATOM 2250 P DG B 15 20.519 13.081 0.058 1.00 2.21 P ATOM 2251 OP1 DG B 15 19.919 14.154 0.875 1.00 2.40 O ATOM 2252 OP2 DG B 15 21.246 13.521 -1.159 1.00 2.21 O ATOM 2253 O5' DG B 15 21.484 12.184 0.956 1.00 2.07 O ATOM 2254 C5' DG B 15 20.899 11.331 1.972 1.00 2.04 C ATOM 2255 C4' DG B 15 21.825 11.246 3.163 1.00 2.08 C ATOM 2256 O4' DG B 15 22.872 10.265 2.873 1.00 1.93 O ATOM 2257 C3' DG B 15 22.592 12.519 3.520 1.00 2.21 C ATOM 2258 O3' DG B 15 22.994 12.541 4.887 1.00 2.32 O ATOM 2259 C2' DG B 15 23.827 12.429 2.637 1.00 2.10 C ATOM 2260 C1' DG B 15 24.095 10.930 2.616 1.00 1.95 C ATOM 2261 N9 DG B 15 24.617 10.433 1.316 1.00 1.82 N ATOM 2262 C8 DG B 15 24.283 10.821 0.034 1.00 1.80 C ATOM 2263 N7 DG B 15 24.934 10.182 -0.903 1.00 1.72 N ATOM 2264 C5 DG B 15 25.758 9.299 -0.202 1.00 1.67 C ATOM 2265 C6 DG B 15 26.689 8.348 -0.676 1.00 1.63 C ATOM 2266 O6 DG B 15 26.994 8.072 -1.835 1.00 1.62 O ATOM 2267 N1 DG B 15 27.313 7.668 0.384 1.00 1.65 N ATOM 2268 C2 DG B 15 27.066 7.890 1.722 1.00 1.72 C ATOM 2269 N2 DG B 15 27.764 7.143 2.583 1.00 1.80 N ATOM 2270 N3 DG B 15 26.184 8.779 2.169 1.00 1.77 N ATOM 2271 C4 DG B 15 25.567 9.448 1.160 1.00 1.73 C ATOM 0 H5' DG B 15 20.721 10.335 1.566 1.00 2.04 H new ATOM 0 H5'' DG B 15 19.931 11.727 2.280 1.00 2.04 H new ATOM 0 H4' DG B 15 21.160 11.005 3.992 1.00 2.08 H new ATOM 0 H3' DG B 15 21.987 13.414 3.372 1.00 2.21 H new ATOM 0 H2' DG B 15 23.644 12.824 1.638 1.00 2.10 H new ATOM 0 H2'' DG B 15 24.666 12.987 3.052 1.00 2.10 H new ATOM 0 HO3' DG B 15 23.482 13.371 5.071 1.00 2.32 H new ATOM 0 H1' DG B 15 24.858 10.730 3.368 1.00 1.95 H new ATOM 0 H8 DG B 15 23.549 11.585 -0.177 1.00 1.80 H new ATOM 0 H1 DG B 15 28.002 6.955 0.145 1.00 1.65 H new ATOM 0 H21 DG B 15 27.627 7.260 3.587 1.00 1.80 H new ATOM 0 H22 DG B 15 28.434 6.456 2.236 1.00 1.80 H new TER 2284 DG B 15 ATOM 2285 OP3 DC C 16 35.158 3.786 -2.048 1.00 2.40 O ATOM 2286 P DC C 16 34.717 2.301 -1.680 1.00 2.45 P ATOM 2287 OP1 DC C 16 35.941 1.502 -1.414 1.00 2.66 O ATOM 2288 OP2 DC C 16 33.744 1.836 -2.703 1.00 2.37 O ATOM 2289 O5' DC C 16 33.941 2.497 -0.299 1.00 2.36 O ATOM 2290 C5' DC C 16 34.577 3.135 0.837 1.00 2.43 C ATOM 2291 C4' DC C 16 33.708 2.979 2.063 1.00 2.41 C ATOM 2292 O4' DC C 16 32.656 3.995 2.021 1.00 2.24 O ATOM 2293 C3' DC C 16 32.953 1.660 2.196 1.00 2.43 C ATOM 2294 O3' DC C 16 32.613 1.367 3.551 1.00 2.51 O ATOM 2295 C2' DC C 16 31.678 1.916 1.408 1.00 2.22 C ATOM 2296 C1' DC C 16 31.419 3.390 1.696 1.00 2.12 C ATOM 2297 N1 DC C 16 30.838 4.133 0.544 1.00 1.96 N ATOM 2298 C2 DC C 16 29.878 5.105 0.813 1.00 1.85 C ATOM 2299 O2 DC C 16 29.544 5.308 1.988 1.00 1.89 O ATOM 2300 N3 DC C 16 29.336 5.791 -0.222 1.00 1.75 N ATOM 2301 C4 DC C 16 29.719 5.547 -1.482 1.00 1.76 C ATOM 2302 N4 DC C 16 29.160 6.250 -2.455 1.00 1.72 N ATOM 2303 C5 DC C 16 30.698 4.552 -1.785 1.00 1.88 C ATOM 2304 C6 DC C 16 31.231 3.876 -0.730 1.00 1.97 C ATOM 0 H5' DC C 16 34.740 4.192 0.628 1.00 2.43 H new ATOM 0 H5'' DC C 16 35.556 2.690 1.015 1.00 2.43 H new ATOM 0 H4' DC C 16 34.411 3.053 2.892 1.00 2.41 H new ATOM 0 H3' DC C 16 33.546 0.816 1.845 1.00 2.43 H new ATOM 0 H2' DC C 16 31.811 1.725 0.343 1.00 2.22 H new ATOM 0 H2'' DC C 16 30.856 1.284 1.745 1.00 2.22 H new ATOM 0 H1' DC C 16 30.694 3.435 2.509 1.00 2.12 H new ATOM 0 H41 DC C 16 29.432 6.086 -3.424 1.00 1.72 H new ATOM 0 H42 DC C 16 28.457 6.956 -2.235 1.00 1.72 H new ATOM 0 H5 DC C 16 31.001 4.346 -2.801 1.00 1.88 H new ATOM 0 H6 DC C 16 31.981 3.120 -0.910 1.00 1.97 H new ATOM 2317 P DG C 17 31.367 0.421 3.859 1.00 2.47 P ATOM 2318 OP1 DG C 17 31.615 -0.339 5.101 1.00 2.67 O ATOM 2319 OP2 DG C 17 31.057 -0.387 2.656 1.00 2.40 O ATOM 2320 O5' DG C 17 30.208 1.491 4.095 1.00 2.30 O ATOM 2321 C5' DG C 17 30.471 2.627 4.956 1.00 2.35 C ATOM 2322 C4' DG C 17 29.212 3.006 5.699 1.00 2.31 C ATOM 2323 O4' DG C 17 28.369 3.808 4.813 1.00 2.11 O ATOM 2324 C3' DG C 17 28.311 1.854 6.137 1.00 2.34 C ATOM 2325 O3' DG C 17 27.482 2.209 7.243 1.00 2.42 O ATOM 2326 C2' DG C 17 27.436 1.625 4.914 1.00 2.12 C ATOM 2327 C1' DG C 17 27.266 3.040 4.376 1.00 1.99 C ATOM 2328 N9 DG C 17 27.222 3.115 2.889 1.00 1.83 N ATOM 2329 C8 DG C 17 27.936 2.391 1.957 1.00 1.83 C ATOM 2330 N7 DG C 17 27.660 2.699 0.716 1.00 1.71 N ATOM 2331 C5 DG C 17 26.695 3.703 0.824 1.00 1.61 C ATOM 2332 C6 DG C 17 26.019 4.431 -0.181 1.00 1.50 C ATOM 2333 O6 DG C 17 26.125 4.344 -1.405 1.00 1.48 O ATOM 2334 N1 DG C 17 25.119 5.357 0.374 1.00 1.48 N ATOM 2335 C2 DG C 17 24.902 5.543 1.723 1.00 1.57 C ATOM 2336 N2 DG C 17 24.000 6.471 2.054 1.00 1.60 N ATOM 2337 N3 DG C 17 25.545 4.864 2.670 1.00 1.67 N ATOM 2338 C4 DG C 17 26.425 3.963 2.156 1.00 1.68 C ATOM 0 H5' DG C 17 30.823 3.471 4.363 1.00 2.35 H new ATOM 0 H5'' DG C 17 31.263 2.383 5.664 1.00 2.35 H new ATOM 0 H4' DG C 17 29.579 3.510 6.593 1.00 2.31 H new ATOM 0 H3' DG C 17 28.887 0.986 6.458 1.00 2.34 H new ATOM 0 H2' DG C 17 27.914 0.967 4.188 1.00 2.12 H new ATOM 0 H2'' DG C 17 26.480 1.170 5.175 1.00 2.12 H new ATOM 0 H1' DG C 17 26.311 3.411 4.748 1.00 1.99 H new ATOM 0 H8 DG C 17 28.659 1.636 2.228 1.00 1.83 H new ATOM 0 H1 DG C 17 24.584 5.937 -0.272 1.00 1.48 H new ATOM 0 H21 DG C 17 23.795 6.655 3.036 1.00 1.60 H new ATOM 0 H22 DG C 17 23.516 6.995 1.325 1.00 1.60 H new ATOM 2350 P DA C 18 26.107 1.434 7.470 1.00 2.38 P ATOM 2351 OP1 DA C 18 25.808 1.365 8.913 1.00 2.59 O ATOM 2352 OP2 DA C 18 26.150 0.138 6.752 1.00 2.33 O ATOM 2353 O5' DA C 18 25.072 2.408 6.745 1.00 2.18 O ATOM 2354 C5' DA C 18 25.144 3.830 7.017 1.00 2.21 C ATOM 2355 C4' DA C 18 23.757 4.427 6.983 1.00 2.15 C ATOM 2356 O4' DA C 18 23.381 4.662 5.589 1.00 1.93 O ATOM 2357 C3' DA C 18 22.630 3.558 7.534 1.00 2.19 C ATOM 2358 O3' DA C 18 21.512 4.330 7.964 1.00 2.25 O ATOM 2359 C2' DA C 18 22.227 2.722 6.328 1.00 1.97 C ATOM 2360 C1' DA C 18 22.423 3.704 5.182 1.00 1.82 C ATOM 2361 N9 DA C 18 22.918 3.070 3.929 1.00 1.66 N ATOM 2362 C8 DA C 18 23.819 2.050 3.794 1.00 1.69 C ATOM 2363 N7 DA C 18 24.052 1.720 2.559 1.00 1.57 N ATOM 2364 C5 DA C 18 23.237 2.571 1.832 1.00 1.44 C ATOM 2365 C6 DA C 18 23.023 2.729 0.447 1.00 1.32 C ATOM 2366 N6 DA C 18 23.641 1.980 -0.482 1.00 1.32 N ATOM 2367 N1 DA C 18 22.156 3.675 0.060 1.00 1.27 N ATOM 2368 C2 DA C 18 21.550 4.411 0.987 1.00 1.35 C ATOM 2369 N3 DA C 18 21.666 4.368 2.296 1.00 1.46 N ATOM 2370 C4 DA C 18 22.543 3.411 2.654 1.00 1.49 C ATOM 0 H5' DA C 18 25.779 4.319 6.278 1.00 2.21 H new ATOM 0 H5'' DA C 18 25.600 4.001 7.992 1.00 2.21 H new ATOM 0 H4' DA C 18 23.842 5.314 7.611 1.00 2.15 H new ATOM 0 H3' DA C 18 22.948 2.984 8.404 1.00 2.19 H new ATOM 0 H2' DA C 18 22.853 1.836 6.218 1.00 1.97 H new ATOM 0 H2'' DA C 18 21.196 2.377 6.397 1.00 1.97 H new ATOM 0 H1' DA C 18 21.448 4.140 4.962 1.00 1.82 H new ATOM 0 H8 DA C 18 24.292 1.565 4.635 1.00 1.69 H new ATOM 0 H61 DA C 18 23.450 2.135 -1.472 1.00 1.32 H new ATOM 0 H62 DA C 18 24.301 1.256 -0.197 1.00 1.32 H new ATOM 0 H2 DA C 18 20.862 5.153 0.609 1.00 1.35 H new ATOM 2382 P DC C 19 20.066 3.662 7.999 1.00 2.21 P ATOM 2383 OP1 DC C 19 19.267 4.256 9.090 1.00 2.41 O ATOM 2384 OP2 DC C 19 20.209 2.186 8.027 1.00 2.18 O ATOM 2385 O5' DC C 19 19.475 4.109 6.585 1.00 2.00 O ATOM 2386 C5' DC C 19 19.613 5.492 6.179 1.00 2.01 C ATOM 2387 C4' DC C 19 18.406 5.910 5.370 1.00 1.95 C ATOM 2388 O4' DC C 19 18.579 5.436 3.996 1.00 1.73 O ATOM 2389 C3' DC C 19 17.064 5.325 5.804 1.00 1.99 C ATOM 2390 O3' DC C 19 15.964 6.129 5.385 1.00 2.05 O ATOM 2391 C2' DC C 19 17.018 3.996 5.062 1.00 1.78 C ATOM 2392 C1' DC C 19 17.722 4.337 3.755 1.00 1.62 C ATOM 2393 N1 DC C 19 18.550 3.227 3.214 1.00 1.46 N ATOM 2394 C2 DC C 19 18.574 3.045 1.833 1.00 1.30 C ATOM 2395 O2 DC C 19 17.908 3.805 1.118 1.00 1.30 O ATOM 2396 N3 DC C 19 19.321 2.037 1.319 1.00 1.20 N ATOM 2397 C4 DC C 19 20.031 1.232 2.120 1.00 1.28 C ATOM 2398 N4 DC C 19 20.747 0.266 1.565 1.00 1.26 N ATOM 2399 C5 DC C 19 20.019 1.395 3.541 1.00 1.46 C ATOM 2400 C6 DC C 19 19.265 2.413 4.034 1.00 1.54 C ATOM 0 H5' DC C 19 20.520 5.619 5.588 1.00 2.01 H new ATOM 0 H5'' DC C 19 19.713 6.130 7.057 1.00 2.01 H new ATOM 0 H4' DC C 19 18.365 6.991 5.501 1.00 1.95 H new ATOM 0 H3' DC C 19 16.986 5.249 6.889 1.00 1.99 H new ATOM 0 H2' DC C 19 17.533 3.206 5.608 1.00 1.78 H new ATOM 0 H2'' DC C 19 15.996 3.656 4.898 1.00 1.78 H new ATOM 0 H1' DC C 19 16.947 4.551 3.020 1.00 1.62 H new ATOM 0 H41 DC C 19 21.297 -0.362 2.151 1.00 1.26 H new ATOM 0 H42 DC C 19 20.748 0.150 0.552 1.00 1.26 H new ATOM 0 H5 DC C 19 20.582 0.741 4.191 1.00 1.46 H new ATOM 0 H6 DC C 19 19.234 2.578 5.101 1.00 1.54 H new ATOM 2412 P DG C 20 14.532 5.461 5.190 1.00 2.03 P ATOM 2413 OP1 DG C 20 13.475 6.439 5.508 1.00 2.23 O ATOM 2414 OP2 DG C 20 14.482 4.185 5.944 1.00 2.01 O ATOM 2415 O5' DG C 20 14.536 5.152 3.625 1.00 1.81 O ATOM 2416 C5' DG C 20 14.969 6.189 2.710 1.00 1.82 C ATOM 2417 C4' DG C 20 14.185 6.095 1.422 1.00 1.77 C ATOM 2418 O4' DG C 20 14.777 5.047 0.590 1.00 1.54 O ATOM 2419 C3' DG C 20 12.718 5.691 1.549 1.00 1.83 C ATOM 2420 O3' DG C 20 11.939 6.130 0.439 1.00 1.90 O ATOM 2421 C2' DG C 20 12.782 4.172 1.543 1.00 1.62 C ATOM 2422 C1' DG C 20 13.939 3.906 0.587 1.00 1.45 C ATOM 2423 N9 DG C 20 14.770 2.731 0.961 1.00 1.28 N ATOM 2424 C8 DG C 20 15.148 2.291 2.213 1.00 1.33 C ATOM 2425 N7 DG C 20 15.885 1.211 2.200 1.00 1.22 N ATOM 2426 C5 DG C 20 16.014 0.907 0.843 1.00 1.05 C ATOM 2427 C6 DG C 20 16.705 -0.149 0.207 1.00 0.94 C ATOM 2428 O6 DG C 20 17.362 -1.060 0.709 1.00 0.97 O ATOM 2429 N1 DG C 20 16.572 -0.080 -1.191 1.00 0.87 N ATOM 2430 C2 DG C 20 15.859 0.883 -1.873 1.00 0.95 C ATOM 2431 N2 DG C 20 15.847 0.777 -3.206 1.00 0.99 N ATOM 2432 N3 DG C 20 15.217 1.884 -1.275 1.00 1.07 N ATOM 2433 C4 DG C 20 15.333 1.838 0.079 1.00 1.10 C ATOM 0 H5' DG C 20 16.035 6.085 2.506 1.00 1.82 H new ATOM 0 H5'' DG C 20 14.825 7.170 3.163 1.00 1.82 H new ATOM 0 H4' DG C 20 14.226 7.106 1.018 1.00 1.77 H new ATOM 0 H3' DG C 20 12.252 6.126 2.433 1.00 1.83 H new ATOM 0 H2' DG C 20 12.973 3.768 2.537 1.00 1.62 H new ATOM 0 H2'' DG C 20 11.852 3.726 1.191 1.00 1.62 H new ATOM 0 H1' DG C 20 13.504 3.695 -0.390 1.00 1.45 H new ATOM 0 H8 DG C 20 14.860 2.795 3.124 1.00 1.33 H new ATOM 0 H1 DG C 20 17.040 -0.798 -1.744 1.00 0.87 H new ATOM 0 H21 DG C 20 15.337 1.459 -3.767 1.00 0.99 H new ATOM 0 H22 DG C 20 16.348 0.014 -3.661 1.00 0.99 H new ATOM 2445 P DT C 21 10.601 5.351 0.063 1.00 1.90 P ATOM 2446 OP1 DT C 21 9.621 6.292 -0.517 1.00 2.12 O ATOM 2447 OP2 DT C 21 10.140 4.577 1.241 1.00 1.88 O ATOM 2448 O5' DT C 21 11.123 4.346 -1.059 1.00 1.69 O ATOM 2449 C5' DT C 21 11.970 4.861 -2.118 1.00 1.70 C ATOM 2450 C4' DT C 21 11.688 4.121 -3.405 1.00 1.66 C ATOM 2451 O4' DT C 21 12.410 2.848 -3.381 1.00 1.42 O ATOM 2452 C3' DT C 21 10.234 3.725 -3.654 1.00 1.74 C ATOM 2453 O3' DT C 21 9.957 3.539 -5.039 1.00 1.83 O ATOM 2454 C2' DT C 21 10.120 2.388 -2.938 1.00 1.53 C ATOM 2455 C1' DT C 21 11.500 1.786 -3.166 1.00 1.33 C ATOM 2456 N1 DT C 21 12.001 0.981 -2.019 1.00 1.14 N ATOM 2457 C2 DT C 21 12.714 -0.161 -2.314 1.00 0.96 C ATOM 2458 O2 DT C 21 12.940 -0.523 -3.456 1.00 0.97 O ATOM 2459 N3 DT C 21 13.161 -0.875 -1.219 1.00 0.84 N ATOM 2460 C4 DT C 21 12.960 -0.560 0.104 1.00 0.94 C ATOM 2461 O4 DT C 21 13.410 -1.282 1.002 1.00 0.94 O ATOM 2462 C5 DT C 21 12.200 0.650 0.315 1.00 1.13 C ATOM 2463 C7 DT C 21 11.964 1.036 1.745 1.00 1.30 C ATOM 2464 C6 DT C 21 11.754 1.375 -0.728 1.00 1.22 C ATOM 0 H5' DT C 21 13.019 4.747 -1.845 1.00 1.70 H new ATOM 0 H5'' DT C 21 11.790 5.927 -2.254 1.00 1.70 H new ATOM 0 H4' DT C 21 11.988 4.825 -4.181 1.00 1.66 H new ATOM 0 H3' DT C 21 9.538 4.490 -3.309 1.00 1.74 H new ATOM 0 H2' DT C 21 9.899 2.511 -1.878 1.00 1.53 H new ATOM 0 H2'' DT C 21 9.329 1.766 -3.359 1.00 1.53 H new ATOM 0 H1' DT C 21 11.418 1.114 -4.020 1.00 1.33 H new ATOM 0 H3 DT C 21 13.695 -1.723 -1.412 1.00 0.84 H new ATOM 0 H71 DT C 21 11.925 0.139 2.362 1.00 1.30 H new ATOM 0 H72 DT C 21 12.776 1.677 2.088 1.00 1.30 H new ATOM 0 H73 DT C 21 11.019 1.574 1.826 1.00 1.30 H new ATOM 0 H6 DT C 21 11.194 2.280 -0.546 1.00 1.22 H new ATOM 2477 P DT C 22 8.757 2.584 -5.478 1.00 1.85 P ATOM 2478 OP1 DT C 22 8.163 3.075 -6.736 1.00 2.09 O ATOM 2479 OP2 DT C 22 7.821 2.423 -4.338 1.00 1.83 O ATOM 2480 O5' DT C 22 9.523 1.208 -5.734 1.00 1.63 O ATOM 2481 C5' DT C 22 10.743 1.224 -6.517 1.00 1.63 C ATOM 2482 C4' DT C 22 10.849 -0.050 -7.320 1.00 1.59 C ATOM 2483 O4' DT C 22 11.361 -1.110 -6.452 1.00 1.34 O ATOM 2484 C3' DT C 22 9.543 -0.615 -7.873 1.00 1.69 C ATOM 2485 O3' DT C 22 9.755 -1.445 -9.012 1.00 1.79 O ATOM 2486 C2' DT C 22 9.027 -1.464 -6.724 1.00 1.48 C ATOM 2487 C1' DT C 22 10.318 -2.009 -6.125 1.00 1.26 C ATOM 2488 N1 DT C 22 10.284 -2.144 -4.645 1.00 1.06 N ATOM 2489 C2 DT C 22 10.916 -3.241 -4.096 1.00 0.86 C ATOM 2490 O2 DT C 22 11.488 -4.078 -4.773 1.00 0.87 O ATOM 2491 N3 DT C 22 10.859 -3.326 -2.721 1.00 0.72 N ATOM 2492 C4 DT C 22 10.241 -2.441 -1.865 1.00 0.82 C ATOM 2493 O4 DT C 22 10.257 -2.623 -0.643 1.00 0.82 O ATOM 2494 C5 DT C 22 9.602 -1.329 -2.528 1.00 1.04 C ATOM 2495 C7 DT C 22 8.923 -0.335 -1.638 1.00 1.21 C ATOM 2496 C6 DT C 22 9.642 -1.210 -3.871 1.00 1.13 C ATOM 0 H5' DT C 22 11.607 1.324 -5.860 1.00 1.63 H new ATOM 0 H5'' DT C 22 10.748 2.087 -7.183 1.00 1.63 H new ATOM 0 H4' DT C 22 11.484 0.227 -8.162 1.00 1.59 H new ATOM 0 H3' DT C 22 8.864 0.173 -8.199 1.00 1.69 H new ATOM 0 H2' DT C 22 8.461 -0.874 -6.003 1.00 1.48 H new ATOM 0 H2'' DT C 22 8.370 -2.262 -7.070 1.00 1.48 H new ATOM 0 H1' DT C 22 10.465 -3.008 -6.536 1.00 1.26 H new ATOM 0 H3 DT C 22 11.323 -4.127 -2.293 1.00 0.72 H new ATOM 0 H71 DT C 22 8.563 -0.837 -0.740 1.00 1.21 H new ATOM 0 H72 DT C 22 9.630 0.446 -1.358 1.00 1.21 H new ATOM 0 H73 DT C 22 8.081 0.111 -2.167 1.00 1.21 H new ATOM 0 H6 DT C 22 9.161 -0.367 -4.345 1.00 1.13 H new ATOM 2509 P DA C 23 8.684 -2.573 -9.367 1.00 1.82 P ATOM 2510 OP1 DA C 23 8.637 -2.773 -10.829 1.00 2.06 O ATOM 2511 OP2 DA C 23 7.395 -2.246 -8.716 1.00 1.81 O ATOM 2512 O5' DA C 23 9.324 -3.852 -8.662 1.00 1.58 O ATOM 2513 C5' DA C 23 10.736 -4.123 -8.857 1.00 1.56 C ATOM 2514 C4' DA C 23 10.971 -5.615 -8.884 1.00 1.53 C ATOM 2515 O4' DA C 23 11.016 -6.107 -7.507 1.00 1.27 O ATOM 2516 C3' DA C 23 9.889 -6.460 -9.552 1.00 1.64 C ATOM 2517 O3' DA C 23 10.391 -7.712 -10.013 1.00 1.73 O ATOM 2518 C2' DA C 23 8.904 -6.705 -8.419 1.00 1.44 C ATOM 2519 C1' DA C 23 9.826 -6.816 -7.213 1.00 1.21 C ATOM 2520 N9 DA C 23 9.254 -6.244 -5.965 1.00 1.01 N ATOM 2521 C8 DA C 23 8.479 -5.125 -5.823 1.00 1.06 C ATOM 2522 N7 DA C 23 8.136 -4.882 -4.592 1.00 0.92 N ATOM 2523 C5 DA C 23 8.714 -5.917 -3.878 1.00 0.72 C ATOM 2524 C6 DA C 23 8.722 -6.234 -2.504 1.00 0.57 C ATOM 2525 N6 DA C 23 8.088 -5.496 -1.576 1.00 0.64 N ATOM 2526 N1 DA C 23 9.401 -7.328 -2.128 1.00 0.51 N ATOM 2527 C2 DA C 23 10.023 -8.051 -3.052 1.00 0.61 C ATOM 2528 N3 DA C 23 10.096 -7.860 -4.353 1.00 0.75 N ATOM 2529 C4 DA C 23 9.408 -6.756 -4.700 1.00 0.79 C ATOM 0 H5' DA C 23 11.317 -3.668 -8.055 1.00 1.56 H new ATOM 0 H5'' DA C 23 11.076 -3.675 -9.791 1.00 1.56 H new ATOM 0 H4' DA C 23 11.890 -5.723 -9.459 1.00 1.53 H new ATOM 0 H3' DA C 23 9.468 -5.965 -10.427 1.00 1.64 H new ATOM 0 H2' DA C 23 8.192 -5.886 -8.314 1.00 1.44 H new ATOM 0 H2'' DA C 23 8.323 -7.615 -8.573 1.00 1.44 H new ATOM 0 H1' DA C 23 9.992 -7.878 -7.035 1.00 1.21 H new ATOM 0 H8 DA C 23 8.181 -4.503 -6.654 1.00 1.06 H new ATOM 0 H61 DA C 23 8.125 -5.770 -0.594 1.00 0.64 H new ATOM 0 H62 DA C 23 7.570 -4.663 -1.854 1.00 0.64 H new ATOM 0 H2 DA C 23 10.545 -8.922 -2.683 1.00 0.61 H new ATOM 2541 P DT C 24 9.393 -8.944 -10.176 1.00 1.76 P ATOM 2542 OP1 DT C 24 9.842 -9.809 -11.286 1.00 2.00 O ATOM 2543 OP2 DT C 24 8.004 -8.438 -10.270 1.00 1.77 O ATOM 2544 O5' DT C 24 9.588 -9.697 -8.783 1.00 1.53 O ATOM 2545 C5' DT C 24 10.934 -9.929 -8.298 1.00 1.51 C ATOM 2546 C4' DT C 24 10.989 -11.241 -7.550 1.00 1.48 C ATOM 2547 O4' DT C 24 10.485 -11.026 -6.194 1.00 1.23 O ATOM 2548 C3' DT C 24 10.122 -12.373 -8.100 1.00 1.60 C ATOM 2549 O3' DT C 24 10.606 -13.656 -7.714 1.00 1.69 O ATOM 2550 C2' DT C 24 8.779 -12.124 -7.432 1.00 1.40 C ATOM 2551 C1' DT C 24 9.195 -11.594 -6.066 1.00 1.18 C ATOM 2552 N1 DT C 24 8.289 -10.545 -5.528 1.00 0.99 N ATOM 2553 C2 DT C 24 8.039 -10.561 -4.172 1.00 0.79 C ATOM 2554 O2 DT C 24 8.527 -11.386 -3.421 1.00 0.82 O ATOM 2555 N3 DT C 24 7.194 -9.568 -3.716 1.00 0.67 N ATOM 2556 C4 DT C 24 6.589 -8.592 -4.473 1.00 0.77 C ATOM 2557 O4 DT C 24 5.847 -7.752 -3.951 1.00 0.78 O ATOM 2558 C5 DT C 24 6.904 -8.657 -5.881 1.00 0.99 C ATOM 2559 C7 DT C 24 6.273 -7.606 -6.746 1.00 1.18 C ATOM 2560 C6 DT C 24 7.731 -9.607 -6.361 1.00 1.07 C ATOM 0 H5' DT C 24 11.240 -9.113 -7.643 1.00 1.51 H new ATOM 0 H5'' DT C 24 11.634 -9.947 -9.134 1.00 1.51 H new ATOM 0 H4' DT C 24 12.033 -11.543 -7.630 1.00 1.48 H new ATOM 0 H3' DT C 24 10.098 -12.377 -9.190 1.00 1.60 H new ATOM 0 H2' DT C 24 8.177 -11.402 -7.983 1.00 1.40 H new ATOM 0 H2'' DT C 24 8.188 -13.036 -7.352 1.00 1.40 H new ATOM 0 H1' DT C 24 9.163 -12.435 -5.373 1.00 1.18 H new ATOM 0 H3 DT C 24 6.999 -9.557 -2.715 1.00 0.67 H new ATOM 0 H71 DT C 24 5.316 -7.308 -6.317 1.00 1.18 H new ATOM 0 H72 DT C 24 6.931 -6.739 -6.803 1.00 1.18 H new ATOM 0 H73 DT C 24 6.113 -8.006 -7.747 1.00 1.18 H new ATOM 0 H6 DT C 24 7.958 -9.631 -7.417 1.00 1.07 H new ATOM 2573 P DA C 25 9.593 -14.887 -7.647 1.00 1.73 P ATOM 2574 OP1 DA C 25 10.303 -16.137 -7.985 1.00 1.96 O ATOM 2575 OP2 DA C 25 8.396 -14.581 -8.465 1.00 1.74 O ATOM 2576 O5' DA C 25 9.193 -14.884 -6.102 1.00 1.52 O ATOM 2577 C5' DA C 25 10.245 -14.770 -5.110 1.00 1.50 C ATOM 2578 C4' DA C 25 9.877 -15.570 -3.882 1.00 1.49 C ATOM 2579 O4' DA C 25 8.953 -14.780 -3.067 1.00 1.26 O ATOM 2580 C3' DA C 25 9.134 -16.883 -4.125 1.00 1.62 C ATOM 2581 O3' DA C 25 9.298 -17.800 -3.047 1.00 1.72 O ATOM 2582 C2' DA C 25 7.680 -16.443 -4.192 1.00 1.43 C ATOM 2583 C1' DA C 25 7.645 -15.308 -3.178 1.00 1.22 C ATOM 2584 N9 DA C 25 6.736 -14.193 -3.556 1.00 1.02 N ATOM 2585 C8 DA C 25 6.501 -13.676 -4.800 1.00 1.06 C ATOM 2586 N7 DA C 25 5.650 -12.694 -4.806 1.00 0.94 N ATOM 2587 C5 DA C 25 5.289 -12.563 -3.477 1.00 0.78 C ATOM 2588 C6 DA C 25 4.407 -11.686 -2.811 1.00 0.68 C ATOM 2589 N6 DA C 25 3.694 -10.743 -3.448 1.00 0.74 N ATOM 2590 N1 DA C 25 4.288 -11.818 -1.483 1.00 0.65 N ATOM 2591 C2 DA C 25 4.998 -12.757 -0.863 1.00 0.74 C ATOM 2592 N3 DA C 25 5.851 -13.626 -1.363 1.00 0.84 N ATOM 2593 C4 DA C 25 5.949 -13.469 -2.695 1.00 0.85 C ATOM 0 H5' DA C 25 10.394 -13.724 -4.843 1.00 1.50 H new ATOM 0 H5'' DA C 25 11.187 -15.131 -5.522 1.00 1.50 H new ATOM 0 H4' DA C 25 10.839 -15.801 -3.425 1.00 1.49 H new ATOM 0 H3' DA C 25 9.496 -17.398 -5.015 1.00 1.62 H new ATOM 0 H2' DA C 25 7.401 -16.107 -5.191 1.00 1.43 H new ATOM 0 H2'' DA C 25 6.997 -17.250 -3.925 1.00 1.43 H new ATOM 0 H1' DA C 25 7.272 -15.727 -2.244 1.00 1.22 H new ATOM 0 H8 DA C 25 6.978 -14.049 -5.694 1.00 1.06 H new ATOM 0 H61 DA C 25 3.069 -10.133 -2.921 1.00 0.74 H new ATOM 0 H62 DA C 25 3.777 -10.637 -4.459 1.00 0.74 H new ATOM 0 H2 DA C 25 4.853 -12.815 0.206 1.00 0.74 H new ATOM 2605 P DT C 26 8.190 -18.922 -2.799 1.00 1.77 P ATOM 2606 OP1 DT C 26 8.823 -20.131 -2.238 1.00 2.01 O ATOM 2607 OP2 DT C 26 7.405 -19.116 -4.042 1.00 1.77 O ATOM 2608 O5' DT C 26 7.273 -18.223 -1.698 1.00 1.58 O ATOM 2609 C5' DT C 26 7.909 -17.585 -0.562 1.00 1.57 C ATOM 2610 C4' DT C 26 7.041 -17.740 0.664 1.00 1.58 C ATOM 2611 O4' DT C 26 5.987 -16.725 0.623 1.00 1.35 O ATOM 2612 C3' DT C 26 6.284 -19.060 0.798 1.00 1.70 C ATOM 2613 O3' DT C 26 5.947 -19.353 2.152 1.00 1.82 O ATOM 2614 C2' DT C 26 5.011 -18.803 0.009 1.00 1.52 C ATOM 2615 C1' DT C 26 4.750 -17.330 0.297 1.00 1.32 C ATOM 2616 N1 DT C 26 4.171 -16.587 -0.855 1.00 1.13 N ATOM 2617 C2 DT C 26 3.220 -15.628 -0.572 1.00 0.98 C ATOM 2618 O2 DT C 26 2.853 -15.379 0.560 1.00 1.02 O ATOM 2619 N3 DT C 26 2.711 -14.964 -1.670 1.00 0.87 N ATOM 2620 C4 DT C 26 3.055 -15.169 -2.987 1.00 0.92 C ATOM 2621 O4 DT C 26 2.525 -14.509 -3.889 1.00 0.93 O ATOM 2622 C5 DT C 26 4.050 -16.194 -3.185 1.00 1.08 C ATOM 2623 C7 DT C 26 4.461 -16.446 -4.606 1.00 1.23 C ATOM 2624 C6 DT C 26 4.576 -16.858 -2.138 1.00 1.17 C ATOM 0 H5' DT C 26 8.073 -16.528 -0.772 1.00 1.57 H new ATOM 0 H5'' DT C 26 8.888 -18.030 -0.384 1.00 1.57 H new ATOM 0 H4' DT C 26 7.746 -17.665 1.492 1.00 1.58 H new ATOM 0 H3' DT C 26 6.875 -19.906 0.448 1.00 1.70 H new ATOM 0 H2' DT C 26 5.146 -18.993 -1.056 1.00 1.52 H new ATOM 0 H2'' DT C 26 4.189 -19.436 0.344 1.00 1.52 H new ATOM 0 H1' DT C 26 4.023 -17.286 1.108 1.00 1.32 H new ATOM 0 H3 DT C 26 2.008 -14.248 -1.487 1.00 0.87 H new ATOM 0 H71 DT C 26 3.625 -16.228 -5.271 1.00 1.23 H new ATOM 0 H72 DT C 26 5.304 -15.803 -4.860 1.00 1.23 H new ATOM 0 H73 DT C 26 4.753 -17.490 -4.721 1.00 1.23 H new ATOM 0 H6 DT C 26 5.327 -17.615 -2.310 1.00 1.17 H new ATOM 2637 P DT C 27 4.701 -20.298 2.462 1.00 1.88 P ATOM 2638 OP1 DT C 27 4.947 -21.060 3.702 1.00 2.12 O ATOM 2639 OP2 DT C 27 4.390 -21.106 1.257 1.00 1.87 O ATOM 2640 O5' DT C 27 3.541 -19.231 2.696 1.00 1.69 O ATOM 2641 C5' DT C 27 3.804 -18.094 3.556 1.00 1.68 C ATOM 2642 C4' DT C 27 2.545 -17.713 4.301 1.00 1.69 C ATOM 2643 O4' DT C 27 1.701 -16.911 3.416 1.00 1.47 O ATOM 2644 C3' DT C 27 1.642 -18.865 4.738 1.00 1.82 C ATOM 2645 O3' DT C 27 0.815 -18.513 5.843 1.00 1.93 O ATOM 2646 C2' DT C 27 0.769 -19.094 3.515 1.00 1.65 C ATOM 2647 C1' DT C 27 0.600 -17.681 2.976 1.00 1.45 C ATOM 2648 N1 DT C 27 0.555 -17.606 1.491 1.00 1.27 N ATOM 2649 C2 DT C 27 -0.315 -16.694 0.931 1.00 1.14 C ATOM 2650 O2 DT C 27 -1.029 -15.966 1.600 1.00 1.18 O ATOM 2651 N3 DT C 27 -0.321 -16.657 -0.450 1.00 1.03 N ATOM 2652 C4 DT C 27 0.440 -17.433 -1.296 1.00 1.07 C ATOM 2653 O4 DT C 27 0.346 -17.310 -2.522 1.00 1.06 O ATOM 2654 C5 DT C 27 1.315 -18.360 -0.621 1.00 1.21 C ATOM 2655 C7 DT C 27 2.168 -19.220 -1.504 1.00 1.33 C ATOM 2656 C6 DT C 27 1.354 -18.419 0.726 1.00 1.30 C ATOM 0 H5' DT C 27 4.155 -17.250 2.962 1.00 1.68 H new ATOM 0 H5'' DT C 27 4.597 -18.337 4.264 1.00 1.68 H new ATOM 0 H4' DT C 27 2.914 -17.209 5.194 1.00 1.69 H new ATOM 0 H3' DT C 27 2.217 -19.733 5.059 1.00 1.82 H new ATOM 0 H2' DT C 27 1.247 -19.752 2.790 1.00 1.65 H new ATOM 0 H2'' DT C 27 -0.187 -19.548 3.776 1.00 1.65 H new ATOM 0 H1' DT C 27 -0.356 -17.310 3.346 1.00 1.45 H new ATOM 0 H3 DT C 27 -0.953 -15.987 -0.888 1.00 1.03 H new ATOM 0 H71 DT C 27 1.652 -19.398 -2.447 1.00 1.33 H new ATOM 0 H72 DT C 27 3.115 -18.716 -1.698 1.00 1.33 H new ATOM 0 H73 DT C 27 2.359 -20.173 -1.010 1.00 1.33 H new ATOM 0 H6 DT C 27 2.023 -19.115 1.209 1.00 1.30 H new ATOM 2669 P DG C 28 -0.560 -19.286 6.071 1.00 1.99 P ATOM 2670 OP1 DG C 28 -0.860 -19.355 7.515 1.00 2.23 O ATOM 2671 OP2 DG C 28 -0.517 -20.581 5.353 1.00 1.99 O ATOM 2672 O5' DG C 28 -1.595 -18.313 5.346 1.00 1.81 O ATOM 2673 C5' DG C 28 -1.522 -16.890 5.616 1.00 1.79 C ATOM 2674 C4' DG C 28 -2.912 -16.293 5.584 1.00 1.80 C ATOM 2675 O4' DG C 28 -3.286 -16.059 4.190 1.00 1.60 O ATOM 2676 C3' DG C 28 -4.038 -17.163 6.136 1.00 1.93 C ATOM 2677 O3' DG C 28 -5.156 -16.390 6.565 1.00 2.04 O ATOM 2678 C2' DG C 28 -4.441 -17.999 4.931 1.00 1.78 C ATOM 2679 C1' DG C 28 -4.244 -17.016 3.784 1.00 1.59 C ATOM 2680 N9 DG C 28 -3.750 -17.649 2.531 1.00 1.43 N ATOM 2681 C8 DG C 28 -2.842 -18.676 2.370 1.00 1.44 C ATOM 2682 N7 DG C 28 -2.622 -19.005 1.123 1.00 1.33 N ATOM 2683 C5 DG C 28 -3.438 -18.135 0.397 1.00 1.24 C ATOM 2684 C6 DG C 28 -3.626 -18.012 -0.998 1.00 1.17 C ATOM 2685 O6 DG C 28 -3.104 -18.653 -1.912 1.00 1.18 O ATOM 2686 N1 DG C 28 -4.550 -16.998 -1.306 1.00 1.19 N ATOM 2687 C2 DG C 28 -5.205 -16.216 -0.378 1.00 1.27 C ATOM 2688 N2 DG C 28 -6.053 -15.306 -0.866 1.00 1.35 N ATOM 2689 N3 DG C 28 -5.024 -16.327 0.937 1.00 1.33 N ATOM 2690 C4 DG C 28 -4.131 -17.300 1.255 1.00 1.31 C ATOM 0 H5' DG C 28 -0.889 -16.402 4.875 1.00 1.79 H new ATOM 0 H5'' DG C 28 -1.064 -16.718 6.590 1.00 1.79 H new ATOM 0 H4' DG C 28 -2.829 -15.406 6.213 1.00 1.80 H new ATOM 0 H3' DG C 28 -3.720 -17.737 7.006 1.00 1.93 H new ATOM 0 H2' DG C 28 -3.815 -18.885 4.821 1.00 1.78 H new ATOM 0 H2'' DG C 28 -5.473 -18.344 5.000 1.00 1.78 H new ATOM 0 H1' DG C 28 -5.219 -16.580 3.565 1.00 1.59 H new ATOM 0 H8 DG C 28 -2.356 -19.165 3.201 1.00 1.44 H new ATOM 0 H1 DG C 28 -4.751 -16.828 -2.291 1.00 1.19 H new ATOM 0 H21 DG C 28 -6.568 -14.697 -0.231 1.00 1.35 H new ATOM 0 H22 DG C 28 -6.185 -15.221 -1.874 1.00 1.35 H new ATOM 2702 P DT C 29 -6.602 -17.058 6.600 1.00 2.11 P ATOM 2703 OP1 DT C 29 -7.399 -16.465 7.691 1.00 2.33 O ATOM 2704 OP2 DT C 29 -6.459 -18.533 6.631 1.00 2.12 O ATOM 2705 O5' DT C 29 -7.191 -16.612 5.188 1.00 1.95 O ATOM 2706 C5' DT C 29 -7.055 -15.228 4.779 1.00 1.92 C ATOM 2707 C4' DT C 29 -8.262 -14.811 3.971 1.00 1.94 C ATOM 2708 O4' DT C 29 -8.088 -15.283 2.597 1.00 1.76 O ATOM 2709 C3' DT C 29 -9.604 -15.397 4.404 1.00 2.08 C ATOM 2710 O3' DT C 29 -10.703 -14.589 3.986 1.00 2.19 O ATOM 2711 C2' DT C 29 -9.648 -16.724 3.663 1.00 1.95 C ATOM 2712 C1' DT C 29 -8.945 -16.384 2.357 1.00 1.77 C ATOM 2713 N1 DT C 29 -8.117 -17.493 1.815 1.00 1.62 N ATOM 2714 C2 DT C 29 -8.104 -17.661 0.445 1.00 1.52 C ATOM 2715 O2 DT C 29 -8.735 -16.945 -0.312 1.00 1.57 O ATOM 2716 N3 DT C 29 -7.321 -18.702 -0.013 1.00 1.43 N ATOM 2717 C4 DT C 29 -6.576 -19.569 0.752 1.00 1.45 C ATOM 2718 O4 DT C 29 -5.912 -20.469 0.225 1.00 1.42 O ATOM 2719 C5 DT C 29 -6.653 -19.320 2.171 1.00 1.56 C ATOM 2720 C7 DT C 29 -5.849 -20.236 3.045 1.00 1.65 C ATOM 2721 C6 DT C 29 -7.402 -18.308 2.657 1.00 1.64 C ATOM 0 H5' DT C 29 -6.149 -15.102 4.187 1.00 1.92 H new ATOM 0 H5'' DT C 29 -6.955 -14.588 5.656 1.00 1.92 H new ATOM 0 H4' DT C 29 -8.305 -13.730 4.104 1.00 1.94 H new ATOM 0 H3' DT C 29 -9.685 -15.476 5.488 1.00 2.08 H new ATOM 0 H2' DT C 29 -9.132 -17.513 4.210 1.00 1.95 H new ATOM 0 H2'' DT C 29 -10.670 -17.065 3.499 1.00 1.95 H new ATOM 0 HO3' DT C 29 -11.542 -15.000 4.281 1.00 2.19 H new ATOM 0 H1' DT C 29 -9.721 -16.171 1.622 1.00 1.77 H new ATOM 0 H3 DT C 29 -7.292 -18.843 -1.023 1.00 1.43 H new ATOM 0 H71 DT C 29 -5.769 -21.214 2.571 1.00 1.65 H new ATOM 0 H72 DT C 29 -4.852 -19.820 3.189 1.00 1.65 H new ATOM 0 H73 DT C 29 -6.341 -20.341 4.012 1.00 1.65 H new ATOM 0 H6 DT C 29 -7.439 -18.137 3.723 1.00 1.64 H new TER 2735 DT C 29