USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 643 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 NoAdj-H: A 23 HIS HE2 : A 23 HIS NE2 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 57 ZNZN :(H bumps) USER MOD Set 1.1: A 5 ASN : amide:sc= 1.16 K(o=1.6,f=-3.3!) USER MOD Set 1.2: B 212 G O2' : rot -22:sc= 0.461 USER MOD Set 2.1: A 9 GLN : amide:sc= -4.41! C(o=-6.8!,f=-5.9!) USER MOD Set 2.2: A 27 ASN : amide:sc= -2.42! K(o=-6.8!,f=-4.1) USER MOD Set 3.1: A 3 LYS NZ :NH3+ -139:sc= -0.47 (180deg=0) USER MOD Set 3.2: A 26 LYS NZ :NH3+ -127:sc= -0.453 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.0208 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= -12.2! C(o=-12!,f=-16!) USER MOD Single : A 11 LYS NZ :NH3+ 152:sc= 0.0807 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0.401 K(o=0.4,f=-5.6!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.39) USER MOD Single : A 46 MET CE :methyl -147:sc=-0.00182 (180deg=-1.74!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -21:sc= 0.929 USER MOD Single : A 53 GLN : amide:sc= -0.669 K(o=-0.67,f=-7.9!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 201 G O2' : rot -104:sc= 0.827 USER MOD Single : B 202 G O2' : rot -19:sc= 0.138 USER MOD Single : B 203 A O2' : rot -2:sc= -0.552 USER MOD Single : B 204 C O2' : rot -100:sc= 1.18 USER MOD Single : B 205 U O2' : rot -14:sc= 0.734 USER MOD Single : B 206 A O2' : rot -149:sc= -1.04 USER MOD Single : B 207 G O2' : rot -37:sc= 0.66 USER MOD Single : B 208 C O2' : rot 12:sc= -0.922 USER MOD Single : B 209 G O2' : rot -44:sc= 0.211 USER MOD Single : B 210 G O2' : rot 10:sc= 0.711 USER MOD Single : B 211 A O2' : rot -46:sc= 0.874 USER MOD Single : B 213 G O2' : rot -128:sc= 1.26 USER MOD Single : B 214 C O2' : rot -26:sc= 0.447 USER MOD Single : B 215 U O2' : rot -136:sc= -0.73 USER MOD Single : B 216 A O2' : rot -133:sc= 0.878 USER MOD Single : B 217 G O2' : rot -111:sc= 0.559 USER MOD Single : B 218 U O2' : rot -16:sc= 0.212 USER MOD Single : B 219 C O2' : rot -27:sc= 0.466 USER MOD Single : B 220 C O2' : rot -26:sc= 0.5 USER MOD Single : B 220 C O3' : rot 180:sc= 0.317 USER MOD ----------------------------------------------------------------- ATOM 1 P G B 201 0.174 -16.343 -7.181 1.00 0.00 P ATOM 2 OP1 G B 201 -1.300 -16.448 -7.274 1.00 0.00 O ATOM 3 OP2 G B 201 0.772 -14.997 -7.320 1.00 0.00 O ATOM 4 O5' G B 201 0.625 -16.943 -5.768 1.00 0.00 O ATOM 5 C5' G B 201 -0.227 -17.852 -5.074 1.00 0.00 C ATOM 6 C4' G B 201 0.589 -18.979 -4.482 1.00 0.00 C ATOM 7 O4' G B 201 0.900 -20.321 -4.731 1.00 0.00 O ATOM 8 C3' G B 201 1.971 -18.564 -3.987 1.00 0.00 C ATOM 9 O3' G B 201 1.856 -17.378 -3.201 1.00 0.00 O ATOM 10 C2' G B 201 2.462 -19.724 -3.166 1.00 0.00 C ATOM 11 O2' G B 201 1.804 -19.534 -1.934 1.00 0.00 O ATOM 12 C1' G B 201 1.962 -20.897 -4.003 1.00 0.00 C ATOM 13 N9 G B 201 2.988 -21.457 -4.907 1.00 0.00 N ATOM 14 C8 G B 201 3.746 -20.788 -5.800 1.00 0.00 C ATOM 15 N7 G B 201 4.579 -21.583 -6.463 1.00 0.00 N ATOM 16 C5 G B 201 4.325 -22.827 -5.951 1.00 0.00 C ATOM 17 C6 G B 201 4.882 -24.091 -6.241 1.00 0.00 C ATOM 18 O6 G B 201 5.762 -24.307 -7.072 1.00 0.00 O ATOM 19 N1 G B 201 4.407 -25.160 -5.546 1.00 0.00 N ATOM 20 C2 G B 201 3.438 -24.952 -4.625 1.00 0.00 C ATOM 21 N2 G B 201 3.082 -26.090 -4.033 1.00 0.00 N ATOM 22 N3 G B 201 2.838 -23.801 -4.269 1.00 0.00 N ATOM 23 C4 G B 201 3.356 -22.774 -4.999 1.00 0.00 C ATOM 0 H5' G B 201 -0.976 -18.254 -5.756 1.00 0.00 H new ATOM 0 H5'' G B 201 -0.765 -17.328 -4.284 1.00 0.00 H new ATOM 0 H4' G B 201 -0.413 -19.079 -4.065 1.00 0.00 H new ATOM 0 H3' G B 201 2.664 -18.341 -4.798 1.00 0.00 H new ATOM 0 H2' G B 201 3.524 -19.854 -2.957 1.00 0.00 H new ATOM 0 HO2' G B 201 2.438 -19.180 -1.276 1.00 0.00 H new ATOM 0 H1' G B 201 1.675 -21.748 -3.386 1.00 0.00 H new ATOM 0 H8 G B 201 3.683 -19.722 -5.959 1.00 0.00 H new ATOM 0 H1 G B 201 4.773 -26.097 -5.715 1.00 0.00 H new ATOM 0 H21 G B 201 2.359 -26.086 -3.314 1.00 0.00 H new ATOM 0 H22 G B 201 3.533 -26.966 -4.299 1.00 0.00 H new ATOM 35 P G B 202 2.862 -16.158 -3.446 1.00 0.00 P ATOM 36 OP1 G B 202 2.093 -14.903 -3.600 1.00 0.00 O ATOM 37 OP2 G B 202 3.821 -16.509 -4.516 1.00 0.00 O ATOM 38 O5' G B 202 3.669 -16.077 -2.067 1.00 0.00 O ATOM 39 C5' G B 202 3.030 -16.436 -0.844 1.00 0.00 C ATOM 40 C4' G B 202 3.970 -17.257 0.011 1.00 0.00 C ATOM 41 O4' G B 202 4.066 -18.542 -0.529 1.00 0.00 O ATOM 42 C3' G B 202 5.441 -16.875 -0.124 1.00 0.00 C ATOM 43 O3' G B 202 5.750 -15.840 0.806 1.00 0.00 O ATOM 44 C2' G B 202 6.207 -18.134 0.177 1.00 0.00 C ATOM 45 O2' G B 202 6.201 -18.172 1.586 1.00 0.00 O ATOM 46 C1' G B 202 5.326 -19.174 -0.511 1.00 0.00 C ATOM 47 N9 G B 202 5.773 -19.514 -1.877 1.00 0.00 N ATOM 48 C8 G B 202 5.700 -18.740 -2.980 1.00 0.00 C ATOM 49 N7 G B 202 6.190 -19.339 -4.060 1.00 0.00 N ATOM 50 C5 G B 202 6.594 -20.564 -3.602 1.00 0.00 C ATOM 51 C6 G B 202 7.194 -21.658 -4.262 1.00 0.00 C ATOM 52 O6 G B 202 7.479 -21.700 -5.458 1.00 0.00 O ATOM 53 N1 G B 202 7.481 -22.759 -3.515 1.00 0.00 N ATOM 54 C2 G B 202 7.179 -22.742 -2.197 1.00 0.00 C ATOM 55 N2 G B 202 7.520 -23.886 -1.608 1.00 0.00 N ATOM 56 N3 G B 202 6.611 -21.762 -1.469 1.00 0.00 N ATOM 57 C4 G B 202 6.349 -20.693 -2.272 1.00 0.00 C ATOM 0 H5' G B 202 2.124 -17.005 -1.051 1.00 0.00 H new ATOM 0 H5'' G B 202 2.727 -15.538 -0.306 1.00 0.00 H new ATOM 0 H4' G B 202 3.572 -17.134 1.018 1.00 0.00 H new ATOM 0 H3' G B 202 5.692 -16.495 -1.114 1.00 0.00 H new ATOM 0 H2' G B 202 7.239 -18.256 -0.153 1.00 0.00 H new ATOM 0 HO2' G B 202 6.007 -17.278 1.937 1.00 0.00 H new ATOM 0 H1' G B 202 5.341 -20.132 0.008 1.00 0.00 H new ATOM 0 H8 G B 202 5.288 -17.742 -2.984 1.00 0.00 H new ATOM 0 H1 G B 202 7.914 -23.579 -3.940 1.00 0.00 H new ATOM 0 H21 G B 202 7.351 -24.016 -0.611 1.00 0.00 H new ATOM 0 H22 G B 202 7.951 -24.632 -2.154 1.00 0.00 H new ATOM 69 P A B 203 6.726 -14.646 0.380 1.00 0.00 P ATOM 70 OP1 A B 203 6.676 -13.573 1.398 1.00 0.00 O ATOM 71 OP2 A B 203 6.465 -14.267 -1.026 1.00 0.00 O ATOM 72 O5' A B 203 8.174 -15.324 0.448 1.00 0.00 O ATOM 73 C5' A B 203 8.657 -15.852 1.681 1.00 0.00 C ATOM 74 C4' A B 203 10.037 -16.440 1.489 1.00 0.00 C ATOM 75 O4' A B 203 9.876 -17.498 0.696 1.00 0.00 O ATOM 76 C3' A B 203 10.951 -15.621 0.582 1.00 0.00 C ATOM 77 O3' A B 203 11.705 -14.703 1.371 1.00 0.00 O ATOM 78 C2' A B 203 11.839 -16.625 -0.097 1.00 0.00 C ATOM 79 O2' A B 203 12.874 -16.809 0.842 1.00 0.00 O ATOM 80 C1' A B 203 10.877 -17.800 -0.249 1.00 0.00 C ATOM 81 N9 A B 203 10.308 -17.924 -1.607 1.00 0.00 N ATOM 82 C8 A B 203 9.346 -17.159 -2.167 1.00 0.00 C ATOM 83 N7 A B 203 9.055 -17.528 -3.410 1.00 0.00 N ATOM 84 C5 A B 203 9.887 -18.591 -3.640 1.00 0.00 C ATOM 85 C6 A B 203 10.058 -19.416 -4.772 1.00 0.00 C ATOM 86 N6 A B 203 9.362 -19.286 -5.931 1.00 0.00 N ATOM 87 N1 A B 203 10.985 -20.409 -4.689 1.00 0.00 N ATOM 88 C2 A B 203 11.682 -20.546 -3.539 1.00 0.00 C ATOM 89 N3 A B 203 11.603 -19.822 -2.407 1.00 0.00 N ATOM 90 C4 A B 203 10.661 -18.849 -2.554 1.00 0.00 C ATOM 0 H5' A B 203 7.975 -16.618 2.050 1.00 0.00 H new ATOM 0 H5'' A B 203 8.690 -15.065 2.435 1.00 0.00 H new ATOM 0 H4' A B 203 10.447 -16.564 2.491 1.00 0.00 H new ATOM 0 H3' A B 203 10.402 -15.030 -0.151 1.00 0.00 H new ATOM 0 H2' A B 203 12.300 -16.405 -1.060 1.00 0.00 H new ATOM 0 HO2' A B 203 12.728 -16.217 1.610 1.00 0.00 H new ATOM 0 H1' A B 203 11.372 -18.758 -0.090 1.00 0.00 H new ATOM 0 H8 A B 203 8.865 -16.336 -1.659 1.00 0.00 H new ATOM 0 H61 A B 203 9.542 -19.922 -6.708 1.00 0.00 H new ATOM 0 H62 A B 203 8.660 -18.552 -6.024 1.00 0.00 H new ATOM 0 H2 A B 203 12.404 -21.349 -3.527 1.00 0.00 H new ATOM 102 P C B 204 12.337 -13.398 0.695 1.00 0.00 P ATOM 103 OP1 C B 204 13.010 -12.578 1.728 1.00 0.00 O ATOM 104 OP2 C B 204 11.319 -12.732 -0.149 1.00 0.00 O ATOM 105 O5' C B 204 13.462 -14.000 -0.269 1.00 0.00 O ATOM 106 C5' C B 204 14.669 -14.523 0.283 1.00 0.00 C ATOM 107 C4' C B 204 15.460 -15.242 -0.786 1.00 0.00 C ATOM 108 O4' C B 204 14.676 -16.141 -1.363 1.00 0.00 O ATOM 109 C3' C B 204 15.749 -14.405 -2.028 1.00 0.00 C ATOM 110 O3' C B 204 16.944 -13.652 -1.825 1.00 0.00 O ATOM 111 C2' C B 204 15.904 -15.395 -3.147 1.00 0.00 C ATOM 112 O2' C B 204 17.265 -15.752 -3.060 1.00 0.00 O ATOM 113 C1' C B 204 14.915 -16.473 -2.713 1.00 0.00 C ATOM 114 N1 C B 204 13.659 -16.468 -3.493 1.00 0.00 N ATOM 115 C2 C B 204 13.539 -17.390 -4.532 1.00 0.00 C ATOM 116 O2 C B 204 14.481 -18.160 -4.752 1.00 0.00 O ATOM 117 N3 C B 204 12.406 -17.405 -5.257 1.00 0.00 N ATOM 118 C4 C B 204 11.412 -16.576 -5.009 1.00 0.00 C ATOM 119 N4 C B 204 10.301 -16.608 -5.736 1.00 0.00 N ATOM 120 C5 C B 204 11.510 -15.612 -3.938 1.00 0.00 C ATOM 121 C6 C B 204 12.646 -15.608 -3.225 1.00 0.00 C ATOM 0 H5' C B 204 14.438 -15.208 1.098 1.00 0.00 H new ATOM 0 H5'' C B 204 15.265 -13.714 0.706 1.00 0.00 H new ATOM 0 H4' C B 204 16.355 -15.576 -0.261 1.00 0.00 H new ATOM 0 H3' C B 204 14.958 -13.689 -2.251 1.00 0.00 H new ATOM 0 H2' C B 204 15.701 -15.111 -4.180 1.00 0.00 H new ATOM 0 HO2' C B 204 17.778 -15.253 -3.730 1.00 0.00 H new ATOM 0 H1' C B 204 15.309 -17.478 -2.867 1.00 0.00 H new ATOM 0 H41 C B 204 9.540 -15.960 -5.533 1.00 0.00 H new ATOM 0 H42 C B 204 10.209 -17.280 -6.498 1.00 0.00 H new ATOM 0 H5 C B 204 10.705 -14.925 -3.721 1.00 0.00 H new ATOM 0 H6 C B 204 12.757 -14.901 -2.416 1.00 0.00 H new ATOM 133 P U B 205 16.978 -12.093 -2.183 1.00 0.00 P ATOM 134 OP1 U B 205 17.612 -11.341 -1.077 1.00 0.00 O ATOM 135 OP2 U B 205 15.636 -11.654 -2.626 1.00 0.00 O ATOM 136 O5' U B 205 17.958 -12.036 -3.447 1.00 0.00 O ATOM 137 C5' U B 205 19.252 -12.630 -3.372 1.00 0.00 C ATOM 138 C4' U B 205 19.533 -13.422 -4.629 1.00 0.00 C ATOM 139 O4' U B 205 18.414 -13.966 -4.802 1.00 0.00 O ATOM 140 C3' U B 205 19.578 -12.585 -5.905 1.00 0.00 C ATOM 141 O3' U B 205 20.934 -12.267 -6.216 1.00 0.00 O ATOM 142 C2' U B 205 18.955 -13.448 -6.967 1.00 0.00 C ATOM 143 O2' U B 205 20.076 -14.064 -7.562 1.00 0.00 O ATOM 144 C1' U B 205 18.081 -14.363 -6.114 1.00 0.00 C ATOM 145 N1 U B 205 16.634 -14.201 -6.370 1.00 0.00 N ATOM 146 C2 U B 205 16.089 -15.037 -7.295 1.00 0.00 C ATOM 147 O2 U B 205 16.725 -15.885 -7.901 1.00 0.00 O ATOM 148 N3 U B 205 14.741 -14.888 -7.535 1.00 0.00 N ATOM 149 C4 U B 205 13.954 -13.962 -6.898 1.00 0.00 C ATOM 150 O4 U B 205 12.760 -13.918 -7.191 1.00 0.00 O ATOM 151 C5 U B 205 14.574 -13.115 -5.942 1.00 0.00 C ATOM 152 C6 U B 205 15.881 -13.276 -5.725 1.00 0.00 C ATOM 0 H5' U B 205 19.311 -13.282 -2.501 1.00 0.00 H new ATOM 0 H5'' U B 205 20.009 -11.856 -3.243 1.00 0.00 H new ATOM 0 H4' U B 205 20.457 -13.986 -4.503 1.00 0.00 H new ATOM 0 H3' U B 205 19.045 -11.639 -5.812 1.00 0.00 H new ATOM 0 H2' U B 205 18.354 -13.011 -7.764 1.00 0.00 H new ATOM 0 HO2' U B 205 20.891 -13.594 -7.288 1.00 0.00 H new ATOM 0 H1' U B 205 18.262 -15.417 -6.325 1.00 0.00 H new ATOM 0 H3 U B 205 14.304 -15.500 -8.224 1.00 0.00 H new ATOM 0 H5 U B 205 14.007 -12.366 -5.409 1.00 0.00 H new ATOM 0 H6 U B 205 16.363 -12.638 -4.999 1.00 0.00 H new ATOM 163 P A B 206 21.391 -10.739 -6.329 1.00 0.00 P ATOM 164 OP1 A B 206 22.861 -10.668 -6.478 1.00 0.00 O ATOM 165 OP2 A B 206 20.776 -9.952 -5.236 1.00 0.00 O ATOM 166 O5' A B 206 20.731 -10.267 -7.709 1.00 0.00 O ATOM 167 C5' A B 206 21.131 -10.876 -8.935 1.00 0.00 C ATOM 168 C4' A B 206 19.982 -10.868 -9.918 1.00 0.00 C ATOM 169 O4' A B 206 18.960 -11.569 -10.045 1.00 0.00 O ATOM 170 C3' A B 206 19.398 -9.486 -10.195 1.00 0.00 C ATOM 171 O3' A B 206 20.423 -8.629 -10.691 1.00 0.00 O ATOM 172 C2' A B 206 18.320 -9.709 -11.218 1.00 0.00 C ATOM 173 O2' A B 206 19.004 -9.514 -12.436 1.00 0.00 O ATOM 174 C1' A B 206 17.928 -11.150 -10.910 1.00 0.00 C ATOM 175 N9 A B 206 16.604 -11.276 -10.263 1.00 0.00 N ATOM 176 C8 A B 206 16.302 -11.057 -8.966 1.00 0.00 C ATOM 177 N7 A B 206 15.016 -11.258 -8.699 1.00 0.00 N ATOM 178 C5 A B 206 14.482 -11.624 -9.905 1.00 0.00 C ATOM 179 C6 A B 206 13.166 -11.968 -10.279 1.00 0.00 C ATOM 180 N6 A B 206 12.107 -11.997 -9.430 1.00 0.00 N ATOM 181 N1 A B 206 12.950 -12.293 -11.584 1.00 0.00 N ATOM 182 C2 A B 206 13.999 -12.266 -12.437 1.00 0.00 C ATOM 183 N3 A B 206 15.286 -11.956 -12.192 1.00 0.00 N ATOM 184 C4 A B 206 15.434 -11.643 -10.875 1.00 0.00 C ATOM 0 H5' A B 206 21.456 -11.900 -8.752 1.00 0.00 H new ATOM 0 H5'' A B 206 21.983 -10.341 -9.355 1.00 0.00 H new ATOM 0 H4' A B 206 20.706 -11.420 -10.517 1.00 0.00 H new ATOM 0 H3' A B 206 18.993 -9.009 -9.303 1.00 0.00 H new ATOM 0 H2' A B 206 17.426 -9.086 -11.236 1.00 0.00 H new ATOM 0 HO2' A B 206 18.386 -9.150 -13.104 1.00 0.00 H new ATOM 0 H1' A B 206 17.828 -11.750 -11.815 1.00 0.00 H new ATOM 0 H8 A B 206 17.027 -10.752 -8.226 1.00 0.00 H new ATOM 0 H61 A B 206 11.183 -12.256 -9.776 1.00 0.00 H new ATOM 0 H62 A B 206 12.235 -11.759 -8.446 1.00 0.00 H new ATOM 0 H2 A B 206 13.772 -12.531 -13.459 1.00 0.00 H new ATOM 196 P G B 207 20.504 -7.110 -10.195 1.00 0.00 P ATOM 197 OP1 G B 207 21.888 -6.608 -10.352 1.00 0.00 O ATOM 198 OP2 G B 207 19.881 -6.986 -8.859 1.00 0.00 O ATOM 199 O5' G B 207 19.577 -6.338 -11.246 1.00 0.00 O ATOM 200 C5' G B 207 19.617 -6.692 -12.627 1.00 0.00 C ATOM 201 C4' G B 207 18.213 -6.805 -13.176 1.00 0.00 C ATOM 202 O4' G B 207 17.379 -7.653 -12.775 1.00 0.00 O ATOM 203 C3' G B 207 17.367 -5.546 -13.006 1.00 0.00 C ATOM 204 O3' G B 207 17.863 -4.522 -13.864 1.00 0.00 O ATOM 205 C2' G B 207 15.969 -5.953 -13.383 1.00 0.00 C ATOM 206 O2' G B 207 15.903 -5.606 -14.748 1.00 0.00 O ATOM 207 C1' G B 207 16.020 -7.450 -13.089 1.00 0.00 C ATOM 208 N9 G B 207 15.146 -7.859 -11.970 1.00 0.00 N ATOM 209 C8 G B 207 15.411 -7.772 -10.649 1.00 0.00 C ATOM 210 N7 G B 207 14.416 -8.228 -9.896 1.00 0.00 N ATOM 211 C5 G B 207 13.471 -8.624 -10.803 1.00 0.00 C ATOM 212 C6 G B 207 12.191 -9.192 -10.633 1.00 0.00 C ATOM 213 O6 G B 207 11.663 -9.448 -9.551 1.00 0.00 O ATOM 214 N1 G B 207 11.478 -9.481 -11.756 1.00 0.00 N ATOM 215 C2 G B 207 12.033 -9.210 -12.959 1.00 0.00 C ATOM 216 N2 G B 207 11.217 -9.547 -13.954 1.00 0.00 N ATOM 217 N3 G B 207 13.235 -8.673 -13.237 1.00 0.00 N ATOM 218 C4 G B 207 13.896 -8.408 -12.076 1.00 0.00 C ATOM 0 H5' G B 207 20.142 -7.639 -12.752 1.00 0.00 H new ATOM 0 H5'' G B 207 20.175 -5.941 -13.187 1.00 0.00 H new ATOM 0 H4' G B 207 18.574 -7.084 -14.166 1.00 0.00 H new ATOM 0 H3' G B 207 17.396 -5.149 -11.991 1.00 0.00 H new ATOM 0 H2' G B 207 15.103 -5.514 -12.887 1.00 0.00 H new ATOM 0 HO2' G B 207 16.399 -4.774 -14.898 1.00 0.00 H new ATOM 0 H1' G B 207 15.659 -8.046 -13.927 1.00 0.00 H new ATOM 0 H8 G B 207 16.332 -7.375 -10.248 1.00 0.00 H new ATOM 0 H1 G B 207 10.547 -9.892 -11.692 1.00 0.00 H new ATOM 0 H21 G B 207 11.504 -9.399 -14.921 1.00 0.00 H new ATOM 0 H22 G B 207 10.304 -9.953 -13.749 1.00 0.00 H new ATOM 230 P C B 208 18.390 -3.143 -13.244 1.00 0.00 P ATOM 231 OP1 C B 208 19.605 -2.703 -13.966 1.00 0.00 O ATOM 232 OP2 C B 208 18.476 -3.260 -11.772 1.00 0.00 O ATOM 233 O5' C B 208 17.210 -2.120 -13.591 1.00 0.00 O ATOM 234 C5' C B 208 17.141 -1.524 -14.885 1.00 0.00 C ATOM 235 C4' C B 208 15.740 -1.652 -15.441 1.00 0.00 C ATOM 236 O4' C B 208 15.315 -2.765 -14.912 1.00 0.00 O ATOM 237 C3' C B 208 14.719 -0.714 -14.801 1.00 0.00 C ATOM 238 O3' C B 208 14.625 0.480 -15.574 1.00 0.00 O ATOM 239 C2' C B 208 13.424 -1.477 -14.803 1.00 0.00 C ATOM 240 O2' C B 208 12.877 -1.156 -16.062 1.00 0.00 O ATOM 241 C1' C B 208 13.936 -2.907 -14.655 1.00 0.00 C ATOM 242 N1 C B 208 13.697 -3.484 -13.316 1.00 0.00 N ATOM 243 C2 C B 208 12.576 -4.296 -13.151 1.00 0.00 C ATOM 244 O2 C B 208 11.840 -4.494 -14.123 1.00 0.00 O ATOM 245 N3 C B 208 12.337 -4.832 -11.940 1.00 0.00 N ATOM 246 C4 C B 208 13.133 -4.611 -10.914 1.00 0.00 C ATOM 247 N4 C B 208 12.881 -5.149 -9.727 1.00 0.00 N ATOM 248 C5 C B 208 14.301 -3.773 -11.059 1.00 0.00 C ATOM 249 C6 C B 208 14.526 -3.245 -12.271 1.00 0.00 C ATOM 0 H5' C B 208 17.852 -2.007 -15.555 1.00 0.00 H new ATOM 0 H5'' C B 208 17.423 -0.473 -14.825 1.00 0.00 H new ATOM 0 H4' C B 208 15.802 -1.512 -16.520 1.00 0.00 H new ATOM 0 H3' C B 208 14.991 -0.415 -13.789 1.00 0.00 H new ATOM 0 H2' C B 208 12.658 -1.286 -14.051 1.00 0.00 H new ATOM 0 HO2' C B 208 13.559 -0.718 -16.613 1.00 0.00 H new ATOM 0 H1' C B 208 13.423 -3.598 -15.324 1.00 0.00 H new ATOM 0 H41 C B 208 13.507 -4.969 -8.942 1.00 0.00 H new ATOM 0 H42 C B 208 12.062 -5.743 -9.600 1.00 0.00 H new ATOM 0 H5 C B 208 14.964 -3.580 -10.228 1.00 0.00 H new ATOM 0 H6 C B 208 15.390 -2.613 -12.418 1.00 0.00 H new ATOM 261 P G B 209 14.712 1.907 -14.854 1.00 0.00 P ATOM 262 OP1 G B 209 15.865 2.665 -15.390 1.00 0.00 O ATOM 263 OP2 G B 209 14.632 1.731 -13.387 1.00 0.00 O ATOM 264 O5' G B 209 13.372 2.636 -15.339 1.00 0.00 O ATOM 265 C5' G B 209 12.315 1.875 -15.917 1.00 0.00 C ATOM 266 C4' G B 209 11.364 1.405 -14.840 1.00 0.00 C ATOM 267 O4' G B 209 10.925 0.261 -14.210 1.00 0.00 O ATOM 268 C3' G B 209 10.910 2.499 -13.878 1.00 0.00 C ATOM 269 O3' G B 209 10.495 3.643 -14.623 1.00 0.00 O ATOM 270 C2' G B 209 9.768 1.901 -13.105 1.00 0.00 C ATOM 271 O2' G B 209 8.666 2.126 -13.955 1.00 0.00 O ATOM 272 C1' G B 209 10.228 0.449 -12.999 1.00 0.00 C ATOM 273 N9 G B 209 11.099 0.191 -11.834 1.00 0.00 N ATOM 274 C8 G B 209 12.312 0.726 -11.583 1.00 0.00 C ATOM 275 N7 G B 209 12.841 0.287 -10.445 1.00 0.00 N ATOM 276 C5 G B 209 11.898 -0.576 -9.956 1.00 0.00 C ATOM 277 C6 G B 209 11.867 -1.360 -8.783 1.00 0.00 C ATOM 278 O6 G B 209 12.754 -1.405 -7.932 1.00 0.00 O ATOM 279 N1 G B 209 10.765 -2.131 -8.573 1.00 0.00 N ATOM 280 C2 G B 209 9.773 -2.102 -9.492 1.00 0.00 C ATOM 281 N2 G B 209 8.770 -2.905 -9.146 1.00 0.00 N ATOM 282 N3 G B 209 9.698 -1.398 -10.637 1.00 0.00 N ATOM 283 C4 G B 209 10.826 -0.650 -10.787 1.00 0.00 C ATOM 0 H5' G B 209 12.724 1.018 -16.451 1.00 0.00 H new ATOM 0 H5'' G B 209 11.779 2.480 -16.648 1.00 0.00 H new ATOM 0 H4' G B 209 11.331 0.897 -15.804 1.00 0.00 H new ATOM 0 H3' G B 209 11.703 2.828 -13.206 1.00 0.00 H new ATOM 0 H2' G B 209 9.504 2.273 -12.115 1.00 0.00 H new ATOM 0 HO2' G B 209 8.709 3.037 -14.313 1.00 0.00 H new ATOM 0 H1' G B 209 9.394 -0.236 -12.850 1.00 0.00 H new ATOM 0 H8 G B 209 12.800 1.434 -12.236 1.00 0.00 H new ATOM 0 H1 G B 209 10.689 -2.717 -7.742 1.00 0.00 H new ATOM 0 H21 G B 209 7.950 -2.985 -9.747 1.00 0.00 H new ATOM 0 H22 G B 209 8.821 -3.441 -8.280 1.00 0.00 H new ATOM 295 P G B 210 10.919 5.108 -14.142 1.00 0.00 P ATOM 296 OP1 G B 210 10.265 6.122 -14.998 1.00 0.00 O ATOM 297 OP2 G B 210 12.391 5.180 -14.002 1.00 0.00 O ATOM 298 O5' G B 210 10.278 5.206 -12.680 1.00 0.00 O ATOM 299 C5' G B 210 9.887 6.474 -12.157 1.00 0.00 C ATOM 300 C4' G B 210 8.632 6.329 -11.325 1.00 0.00 C ATOM 301 O4' G B 210 8.290 6.530 -10.187 1.00 0.00 O ATOM 302 C3' G B 210 7.337 6.605 -12.083 1.00 0.00 C ATOM 303 O3' G B 210 6.570 5.406 -12.165 1.00 0.00 O ATOM 304 C2' G B 210 6.627 7.662 -11.284 1.00 0.00 C ATOM 305 O2' G B 210 5.322 7.140 -11.170 1.00 0.00 O ATOM 306 C1' G B 210 7.452 7.649 -9.999 1.00 0.00 C ATOM 307 N9 G B 210 8.242 8.880 -9.795 1.00 0.00 N ATOM 308 C8 G B 210 9.321 9.287 -10.494 1.00 0.00 C ATOM 309 N7 G B 210 9.808 10.445 -10.060 1.00 0.00 N ATOM 310 C5 G B 210 8.980 10.782 -9.023 1.00 0.00 C ATOM 311 C6 G B 210 8.971 11.895 -8.156 1.00 0.00 C ATOM 312 O6 G B 210 9.771 12.829 -8.189 1.00 0.00 O ATOM 313 N1 G B 210 7.998 11.941 -7.207 1.00 0.00 N ATOM 314 C2 G B 210 7.104 10.929 -7.148 1.00 0.00 C ATOM 315 N2 G B 210 6.221 11.120 -6.171 1.00 0.00 N ATOM 316 N3 G B 210 7.019 9.826 -7.916 1.00 0.00 N ATOM 317 C4 G B 210 8.016 9.840 -8.843 1.00 0.00 C ATOM 0 H5' G B 210 9.712 7.175 -12.974 1.00 0.00 H new ATOM 0 H5'' G B 210 10.690 6.888 -11.548 1.00 0.00 H new ATOM 0 H4' G B 210 9.236 5.445 -11.121 1.00 0.00 H new ATOM 0 H3' G B 210 7.507 6.941 -13.106 1.00 0.00 H new ATOM 0 H2' G B 210 6.545 8.684 -11.653 1.00 0.00 H new ATOM 0 HO2' G B 210 5.312 6.212 -11.484 1.00 0.00 H new ATOM 0 H1' G B 210 6.825 7.597 -9.109 1.00 0.00 H new ATOM 0 H8 G B 210 9.744 8.732 -11.318 1.00 0.00 H new ATOM 0 H1 G B 210 7.944 12.722 -6.554 1.00 0.00 H new ATOM 0 H21 G B 210 5.484 10.434 -6.008 1.00 0.00 H new ATOM 0 H22 G B 210 6.281 11.953 -5.585 1.00 0.00 H new ATOM 329 P A B 211 6.811 4.383 -13.371 1.00 0.00 P ATOM 330 OP1 A B 211 8.216 4.472 -13.827 1.00 0.00 O ATOM 331 OP2 A B 211 5.750 4.554 -14.389 1.00 0.00 O ATOM 332 O5' A B 211 6.606 2.956 -12.678 1.00 0.00 O ATOM 333 C5' A B 211 7.286 2.649 -11.463 1.00 0.00 C ATOM 334 C4' A B 211 6.291 2.518 -10.331 1.00 0.00 C ATOM 335 O4' A B 211 6.056 2.959 -9.015 1.00 0.00 O ATOM 336 C3' A B 211 4.924 1.985 -10.752 1.00 0.00 C ATOM 337 O3' A B 211 4.900 0.568 -10.600 1.00 0.00 O ATOM 338 C2' A B 211 3.938 2.655 -9.835 1.00 0.00 C ATOM 339 O2' A B 211 2.857 1.750 -9.827 1.00 0.00 O ATOM 340 C1' A B 211 4.749 2.720 -8.544 1.00 0.00 C ATOM 341 N9 A B 211 4.308 3.790 -7.625 1.00 0.00 N ATOM 342 C8 A B 211 4.428 5.123 -7.801 1.00 0.00 C ATOM 343 N7 A B 211 3.930 5.821 -6.786 1.00 0.00 N ATOM 344 C5 A B 211 3.473 4.864 -5.922 1.00 0.00 C ATOM 345 C6 A B 211 2.840 4.964 -4.664 1.00 0.00 C ATOM 346 N6 A B 211 2.551 6.136 -4.040 1.00 0.00 N ATOM 347 N1 A B 211 2.498 3.805 -4.040 1.00 0.00 N ATOM 348 C2 A B 211 2.782 2.634 -4.653 1.00 0.00 C ATOM 349 N3 A B 211 3.378 2.421 -5.842 1.00 0.00 N ATOM 350 C4 A B 211 3.692 3.616 -6.413 1.00 0.00 C ATOM 0 H5' A B 211 8.009 3.432 -11.234 1.00 0.00 H new ATOM 0 H5'' A B 211 7.846 1.721 -11.575 1.00 0.00 H new ATOM 0 H4' A B 211 7.348 2.386 -10.098 1.00 0.00 H new ATOM 0 H3' A B 211 4.689 2.195 -11.796 1.00 0.00 H new ATOM 0 H2' A B 211 3.540 3.644 -10.064 1.00 0.00 H new ATOM 0 HO2' A B 211 2.659 1.468 -10.745 1.00 0.00 H new ATOM 0 H1' A B 211 4.645 1.813 -7.949 1.00 0.00 H new ATOM 0 H8 A B 211 4.880 5.573 -8.672 1.00 0.00 H new ATOM 0 H61 A B 211 2.091 6.129 -3.130 1.00 0.00 H new ATOM 0 H62 A B 211 2.794 7.023 -4.482 1.00 0.00 H new ATOM 0 H2 A B 211 2.490 1.745 -4.114 1.00 0.00 H new ATOM 362 P G B 212 4.175 -0.342 -11.698 1.00 0.00 P ATOM 363 OP1 G B 212 5.078 -0.541 -12.855 1.00 0.00 O ATOM 364 OP2 G B 212 2.821 0.190 -11.972 1.00 0.00 O ATOM 365 O5' G B 212 4.012 -1.747 -10.951 1.00 0.00 O ATOM 366 C5' G B 212 3.462 -1.797 -9.636 1.00 0.00 C ATOM 367 C4' G B 212 4.225 -2.790 -8.790 1.00 0.00 C ATOM 368 O4' G B 212 5.292 -1.949 -8.516 1.00 0.00 O ATOM 369 C3' G B 212 3.743 -2.891 -7.346 1.00 0.00 C ATOM 370 O3' G B 212 2.894 -4.028 -7.208 1.00 0.00 O ATOM 371 C2' G B 212 4.991 -3.029 -6.519 1.00 0.00 C ATOM 372 O2' G B 212 5.285 -4.403 -6.630 1.00 0.00 O ATOM 373 C1' G B 212 5.935 -2.094 -7.270 1.00 0.00 C ATOM 374 N9 G B 212 6.119 -0.785 -6.607 1.00 0.00 N ATOM 375 C8 G B 212 5.156 0.064 -6.191 1.00 0.00 C ATOM 376 N7 G B 212 5.651 1.163 -5.630 1.00 0.00 N ATOM 377 C5 G B 212 7.007 0.988 -5.703 1.00 0.00 C ATOM 378 C6 G B 212 8.078 1.802 -5.280 1.00 0.00 C ATOM 379 O6 G B 212 7.968 2.896 -4.729 1.00 0.00 O ATOM 380 N1 G B 212 9.340 1.340 -5.499 1.00 0.00 N ATOM 381 C2 G B 212 9.492 0.141 -6.102 1.00 0.00 C ATOM 382 N2 G B 212 10.779 -0.171 -6.244 1.00 0.00 N ATOM 383 N3 G B 212 8.550 -0.713 -6.544 1.00 0.00 N ATOM 384 C4 G B 212 7.315 -0.195 -6.297 1.00 0.00 C ATOM 0 H5' G B 212 2.411 -2.081 -9.684 1.00 0.00 H new ATOM 0 H5'' G B 212 3.505 -0.809 -9.178 1.00 0.00 H new ATOM 0 H4' G B 212 4.267 -3.769 -9.268 1.00 0.00 H new ATOM 0 H3' G B 212 3.163 -2.024 -7.030 1.00 0.00 H new ATOM 0 H2' G B 212 4.994 -2.773 -5.459 1.00 0.00 H new ATOM 0 HO2' G B 212 4.472 -4.893 -6.876 1.00 0.00 H new ATOM 0 H1' G B 212 6.947 -2.494 -7.330 1.00 0.00 H new ATOM 0 H8 G B 212 4.099 -0.128 -6.302 1.00 0.00 H new ATOM 0 H1 G B 212 10.152 1.887 -5.214 1.00 0.00 H new ATOM 0 H21 G B 212 11.045 -1.052 -6.685 1.00 0.00 H new ATOM 0 H22 G B 212 11.499 0.471 -5.912 1.00 0.00 H new ATOM 396 P G B 213 1.538 -4.122 -8.050 1.00 0.00 P ATOM 397 OP1 G B 213 0.932 -2.777 -8.171 1.00 0.00 O ATOM 398 OP2 G B 213 0.689 -5.207 -7.510 1.00 0.00 O ATOM 399 O5' G B 213 2.046 -4.567 -9.501 1.00 0.00 O ATOM 400 C5' G B 213 2.758 -5.792 -9.662 1.00 0.00 C ATOM 401 C4' G B 213 2.759 -6.205 -11.116 1.00 0.00 C ATOM 402 O4' G B 213 3.684 -5.444 -11.502 1.00 0.00 O ATOM 403 C3' G B 213 3.317 -7.602 -11.374 1.00 0.00 C ATOM 404 O3' G B 213 2.266 -8.460 -11.812 1.00 0.00 O ATOM 405 C2' G B 213 4.363 -7.421 -12.440 1.00 0.00 C ATOM 406 O2' G B 213 3.630 -7.611 -13.629 1.00 0.00 O ATOM 407 C1' G B 213 4.805 -5.986 -12.164 1.00 0.00 C ATOM 408 N9 G B 213 6.016 -5.894 -11.322 1.00 0.00 N ATOM 409 C8 G B 213 6.174 -6.347 -10.061 1.00 0.00 C ATOM 410 N7 G B 213 7.390 -6.108 -9.579 1.00 0.00 N ATOM 411 C5 G B 213 8.031 -5.467 -10.605 1.00 0.00 C ATOM 412 C6 G B 213 9.342 -4.958 -10.716 1.00 0.00 C ATOM 413 O6 G B 213 10.201 -5.006 -9.838 1.00 0.00 O ATOM 414 N1 G B 213 9.685 -4.363 -11.891 1.00 0.00 N ATOM 415 C2 G B 213 8.760 -4.297 -12.875 1.00 0.00 C ATOM 416 N2 G B 213 9.246 -3.690 -13.955 1.00 0.00 N ATOM 417 N3 G B 213 7.491 -4.745 -12.879 1.00 0.00 N ATOM 418 C4 G B 213 7.211 -5.326 -11.680 1.00 0.00 C ATOM 0 H5' G B 213 2.298 -6.572 -9.055 1.00 0.00 H new ATOM 0 H5'' G B 213 3.782 -5.675 -9.308 1.00 0.00 H new ATOM 0 H4' G B 213 1.763 -6.171 -11.556 1.00 0.00 H new ATOM 0 H3' G B 213 3.746 -8.059 -10.482 1.00 0.00 H new ATOM 0 H2' G B 213 5.239 -8.069 -12.483 1.00 0.00 H new ATOM 0 HO2' G B 213 4.078 -8.281 -14.186 1.00 0.00 H new ATOM 0 H1' G B 213 5.087 -5.461 -13.077 1.00 0.00 H new ATOM 0 H8 G B 213 5.397 -6.849 -9.504 1.00 0.00 H new ATOM 0 H1 G B 213 10.619 -3.976 -12.026 1.00 0.00 H new ATOM 0 H21 G B 213 8.658 -3.568 -14.780 1.00 0.00 H new ATOM 0 H22 G B 213 10.206 -3.347 -13.958 1.00 0.00 H new ATOM 430 P C B 214 2.245 -9.995 -11.362 1.00 0.00 P ATOM 431 OP1 C B 214 0.853 -10.496 -11.364 1.00 0.00 O ATOM 432 OP2 C B 214 3.029 -10.159 -10.118 1.00 0.00 O ATOM 433 O5' C B 214 3.037 -10.727 -12.544 1.00 0.00 O ATOM 434 C5' C B 214 2.608 -10.569 -13.895 1.00 0.00 C ATOM 435 C4' C B 214 3.782 -10.719 -14.835 1.00 0.00 C ATOM 436 O4' C B 214 4.718 -9.754 -14.453 1.00 0.00 O ATOM 437 C3' C B 214 4.664 -11.933 -14.553 1.00 0.00 C ATOM 438 O3' C B 214 4.169 -13.056 -15.278 1.00 0.00 O ATOM 439 C2' C B 214 6.040 -11.540 -15.014 1.00 0.00 C ATOM 440 O2' C B 214 5.969 -11.739 -16.407 1.00 0.00 O ATOM 441 C1' C B 214 6.085 -10.083 -14.561 1.00 0.00 C ATOM 442 N1 C B 214 6.786 -9.887 -13.275 1.00 0.00 N ATOM 443 C2 C B 214 8.089 -9.394 -13.314 1.00 0.00 C ATOM 444 O2 C B 214 8.594 -9.147 -14.415 1.00 0.00 O ATOM 445 N3 C B 214 8.748 -9.207 -12.157 1.00 0.00 N ATOM 446 C4 C B 214 8.192 -9.476 -10.992 1.00 0.00 C ATOM 447 N4 C B 214 8.859 -9.285 -9.860 1.00 0.00 N ATOM 448 C5 C B 214 6.844 -9.988 -10.923 1.00 0.00 C ATOM 449 C6 C B 214 6.200 -10.169 -12.085 1.00 0.00 C ATOM 0 H5' C B 214 2.150 -9.589 -14.027 1.00 0.00 H new ATOM 0 H5'' C B 214 1.846 -11.311 -14.132 1.00 0.00 H new ATOM 0 H4' C B 214 3.347 -10.714 -15.834 1.00 0.00 H new ATOM 0 H3' C B 214 4.674 -12.216 -13.500 1.00 0.00 H new ATOM 0 H2' C B 214 6.925 -12.062 -14.650 1.00 0.00 H new ATOM 0 HO2' C B 214 5.294 -12.421 -16.606 1.00 0.00 H new ATOM 0 H1' C B 214 6.644 -9.455 -15.254 1.00 0.00 H new ATOM 0 H41 C B 214 8.417 -9.497 -8.966 1.00 0.00 H new ATOM 0 H42 C B 214 9.813 -8.926 -9.885 1.00 0.00 H new ATOM 0 H5 C B 214 6.375 -10.215 -9.977 1.00 0.00 H new ATOM 0 H6 C B 214 5.189 -10.549 -12.073 1.00 0.00 H new ATOM 461 P U B 215 4.002 -14.470 -14.548 1.00 0.00 P ATOM 462 OP1 U B 215 2.871 -15.210 -15.149 1.00 0.00 O ATOM 463 OP2 U B 215 3.987 -14.274 -13.081 1.00 0.00 O ATOM 464 O5' U B 215 5.353 -15.236 -14.931 1.00 0.00 O ATOM 465 C5' U B 215 5.758 -15.330 -16.294 1.00 0.00 C ATOM 466 C4' U B 215 7.256 -15.164 -16.405 1.00 0.00 C ATOM 467 O4' U B 215 7.695 -14.246 -15.886 1.00 0.00 O ATOM 468 C3' U B 215 8.063 -16.327 -15.833 1.00 0.00 C ATOM 469 O3' U B 215 8.245 -17.318 -16.843 1.00 0.00 O ATOM 470 C2' U B 215 9.374 -15.728 -15.406 1.00 0.00 C ATOM 471 O2' U B 215 10.257 -16.161 -16.416 1.00 0.00 O ATOM 472 C1' U B 215 9.029 -14.242 -15.429 1.00 0.00 C ATOM 473 N1 U B 215 9.139 -13.591 -14.107 1.00 0.00 N ATOM 474 C2 U B 215 10.341 -13.024 -13.812 1.00 0.00 C ATOM 475 O2 U B 215 11.299 -13.032 -14.570 1.00 0.00 O ATOM 476 N3 U B 215 10.445 -12.416 -12.581 1.00 0.00 N ATOM 477 C4 U B 215 9.420 -12.362 -11.671 1.00 0.00 C ATOM 478 O4 U B 215 9.626 -11.792 -10.601 1.00 0.00 O ATOM 479 C5 U B 215 8.187 -12.969 -12.029 1.00 0.00 C ATOM 480 C6 U B 215 8.108 -13.553 -13.227 1.00 0.00 C ATOM 0 H5' U B 215 5.255 -14.564 -16.884 1.00 0.00 H new ATOM 0 H5'' U B 215 5.460 -16.295 -16.704 1.00 0.00 H new ATOM 0 H4' U B 215 7.350 -15.082 -17.488 1.00 0.00 H new ATOM 0 H3' U B 215 7.568 -16.816 -14.994 1.00 0.00 H new ATOM 0 H2' U B 215 9.821 -15.982 -14.445 1.00 0.00 H new ATOM 0 HO2' U B 215 11.093 -16.470 -16.009 1.00 0.00 H new ATOM 0 H1' U B 215 9.717 -13.671 -16.053 1.00 0.00 H new ATOM 0 H3 U B 215 11.334 -11.982 -12.332 1.00 0.00 H new ATOM 0 H5 U B 215 7.343 -12.959 -11.356 1.00 0.00 H new ATOM 0 H6 U B 215 7.176 -14.019 -13.510 1.00 0.00 H new ATOM 491 P A B 216 7.922 -18.852 -16.524 1.00 0.00 P ATOM 492 OP1 A B 216 7.202 -19.459 -17.666 1.00 0.00 O ATOM 493 OP2 A B 216 7.299 -18.963 -15.186 1.00 0.00 O ATOM 494 O5' A B 216 9.375 -19.518 -16.447 1.00 0.00 O ATOM 495 C5' A B 216 10.452 -18.968 -17.204 1.00 0.00 C ATOM 496 C4' A B 216 11.668 -18.786 -16.323 1.00 0.00 C ATOM 497 O4' A B 216 11.430 -18.003 -15.317 1.00 0.00 O ATOM 498 C3' A B 216 12.043 -20.018 -15.505 1.00 0.00 C ATOM 499 O3' A B 216 12.772 -20.928 -16.325 1.00 0.00 O ATOM 500 C2' A B 216 12.883 -19.501 -14.372 1.00 0.00 C ATOM 501 O2' A B 216 14.197 -19.709 -14.839 1.00 0.00 O ATOM 502 C1' A B 216 12.429 -18.045 -14.322 1.00 0.00 C ATOM 503 N9 A B 216 11.891 -17.640 -13.007 1.00 0.00 N ATOM 504 C8 A B 216 10.625 -17.785 -12.559 1.00 0.00 C ATOM 505 N7 A B 216 10.462 -17.316 -11.326 1.00 0.00 N ATOM 506 C5 A B 216 11.702 -16.849 -10.984 1.00 0.00 C ATOM 507 C6 A B 216 12.177 -16.234 -9.805 1.00 0.00 C ATOM 508 N6 A B 216 11.416 -15.979 -8.711 1.00 0.00 N ATOM 509 N1 A B 216 13.489 -15.877 -9.772 1.00 0.00 N ATOM 510 C2 A B 216 14.254 -16.126 -10.858 1.00 0.00 C ATOM 511 N3 A B 216 13.910 -16.702 -12.025 1.00 0.00 N ATOM 512 C4 A B 216 12.590 -17.036 -11.995 1.00 0.00 C ATOM 0 H5' A B 216 10.155 -18.009 -17.630 1.00 0.00 H new ATOM 0 H5'' A B 216 10.693 -19.626 -18.039 1.00 0.00 H new ATOM 0 H4' A B 216 12.410 -18.462 -17.053 1.00 0.00 H new ATOM 0 H3' A B 216 11.174 -20.559 -15.129 1.00 0.00 H new ATOM 0 H2' A B 216 12.812 -19.938 -13.376 1.00 0.00 H new ATOM 0 HO2' A B 216 14.731 -20.134 -14.136 1.00 0.00 H new ATOM 0 H1' A B 216 13.255 -17.352 -14.484 1.00 0.00 H new ATOM 0 H8 A B 216 9.832 -18.233 -13.139 1.00 0.00 H new ATOM 0 H61 A B 216 11.831 -15.530 -7.894 1.00 0.00 H new ATOM 0 H62 A B 216 10.429 -16.236 -8.705 1.00 0.00 H new ATOM 0 H2 A B 216 15.287 -15.820 -10.778 1.00 0.00 H new ATOM 524 P G B 217 12.335 -22.465 -16.399 1.00 0.00 P ATOM 525 OP1 G B 217 12.939 -23.098 -17.593 1.00 0.00 O ATOM 526 OP2 G B 217 10.868 -22.575 -16.235 1.00 0.00 O ATOM 527 O5' G B 217 13.026 -23.099 -15.102 1.00 0.00 O ATOM 528 C5' G B 217 14.446 -23.074 -14.966 1.00 0.00 C ATOM 529 C4' G B 217 14.828 -22.602 -13.582 1.00 0.00 C ATOM 530 O4' G B 217 14.228 -21.485 -12.988 1.00 0.00 O ATOM 531 C3' G B 217 14.391 -23.534 -12.455 1.00 0.00 C ATOM 532 O3' G B 217 15.102 -24.767 -12.557 1.00 0.00 O ATOM 533 C2' G B 217 14.728 -22.806 -11.184 1.00 0.00 C ATOM 534 O2' G B 217 16.087 -23.130 -10.992 1.00 0.00 O ATOM 535 C1' G B 217 14.452 -21.364 -11.601 1.00 0.00 C ATOM 536 N9 G B 217 13.281 -20.768 -10.921 1.00 0.00 N ATOM 537 C8 G B 217 11.980 -20.934 -11.235 1.00 0.00 C ATOM 538 N7 G B 217 11.168 -20.261 -10.427 1.00 0.00 N ATOM 539 C5 G B 217 12.018 -19.636 -9.553 1.00 0.00 C ATOM 540 C6 G B 217 11.771 -18.777 -8.462 1.00 0.00 C ATOM 541 O6 G B 217 10.659 -18.414 -8.078 1.00 0.00 O ATOM 542 N1 G B 217 12.849 -18.309 -7.776 1.00 0.00 N ATOM 543 C2 G B 217 14.083 -18.692 -8.175 1.00 0.00 C ATOM 544 N2 G B 217 15.028 -18.154 -7.408 1.00 0.00 N ATOM 545 N3 G B 217 14.432 -19.500 -9.193 1.00 0.00 N ATOM 546 C4 G B 217 13.313 -19.932 -9.837 1.00 0.00 C ATOM 0 H5' G B 217 14.879 -22.413 -15.716 1.00 0.00 H new ATOM 0 H5'' G B 217 14.854 -24.069 -15.145 1.00 0.00 H new ATOM 0 H4' G B 217 15.876 -22.466 -13.849 1.00 0.00 H new ATOM 0 H3' G B 217 13.329 -23.777 -12.493 1.00 0.00 H new ATOM 0 H2' G B 217 14.200 -23.024 -10.256 1.00 0.00 H new ATOM 0 HO2' G B 217 16.177 -23.714 -10.210 1.00 0.00 H new ATOM 0 H1' G B 217 15.271 -20.696 -11.334 1.00 0.00 H new ATOM 0 H8 G B 217 11.636 -21.547 -12.054 1.00 0.00 H new ATOM 0 H1 G B 217 12.729 -17.684 -6.979 1.00 0.00 H new ATOM 0 H21 G B 217 16.011 -18.356 -7.592 1.00 0.00 H new ATOM 0 H22 G B 217 14.770 -17.540 -6.636 1.00 0.00 H new ATOM 558 P U B 218 14.303 -26.153 -12.549 1.00 0.00 P ATOM 559 OP1 U B 218 14.977 -27.120 -13.444 1.00 0.00 O ATOM 560 OP2 U B 218 12.864 -25.901 -12.775 1.00 0.00 O ATOM 561 O5' U B 218 14.485 -26.664 -11.044 1.00 0.00 O ATOM 562 C5' U B 218 15.770 -26.617 -10.425 1.00 0.00 C ATOM 563 C4' U B 218 15.659 -26.013 -9.043 1.00 0.00 C ATOM 564 O4' U B 218 15.335 -24.785 -8.765 1.00 0.00 O ATOM 565 C3' U B 218 14.676 -26.727 -8.120 1.00 0.00 C ATOM 566 O3' U B 218 15.169 -28.030 -7.818 1.00 0.00 O ATOM 567 C2' U B 218 14.594 -25.868 -6.888 1.00 0.00 C ATOM 568 O2' U B 218 15.653 -26.358 -6.098 1.00 0.00 O ATOM 569 C1' U B 218 14.811 -24.484 -7.491 1.00 0.00 C ATOM 570 N1 U B 218 13.571 -23.687 -7.600 1.00 0.00 N ATOM 571 C2 U B 218 13.353 -22.773 -6.615 1.00 0.00 C ATOM 572 O2 U B 218 14.115 -22.594 -5.678 1.00 0.00 O ATOM 573 N3 U B 218 12.198 -22.030 -6.713 1.00 0.00 N ATOM 574 C4 U B 218 11.291 -22.169 -7.733 1.00 0.00 C ATOM 575 O4 U B 218 10.293 -21.450 -7.719 1.00 0.00 O ATOM 576 C5 U B 218 11.566 -23.137 -8.735 1.00 0.00 C ATOM 577 C6 U B 218 12.691 -23.846 -8.619 1.00 0.00 C ATOM 0 H5' U B 218 16.454 -26.027 -11.034 1.00 0.00 H new ATOM 0 H5'' U B 218 16.187 -27.622 -10.359 1.00 0.00 H new ATOM 0 H4' U B 218 16.737 -26.114 -8.918 1.00 0.00 H new ATOM 0 H3' U B 218 13.691 -26.859 -8.568 1.00 0.00 H new ATOM 0 H2' U B 218 13.697 -25.857 -6.269 1.00 0.00 H new ATOM 0 HO2' U B 218 15.939 -27.231 -6.440 1.00 0.00 H new ATOM 0 H1' U B 218 15.460 -23.865 -6.872 1.00 0.00 H new ATOM 0 H3 U B 218 12.006 -21.339 -5.988 1.00 0.00 H new ATOM 0 H5 U B 218 10.889 -23.294 -9.562 1.00 0.00 H new ATOM 0 H6 U B 218 12.912 -24.584 -9.376 1.00 0.00 H new ATOM 588 P C B 219 14.194 -29.126 -7.180 1.00 0.00 P ATOM 589 OP1 C B 219 14.983 -30.299 -6.740 1.00 0.00 O ATOM 590 OP2 C B 219 13.056 -29.373 -8.094 1.00 0.00 O ATOM 591 O5' C B 219 13.630 -28.392 -5.875 1.00 0.00 O ATOM 592 C5' C B 219 14.225 -28.642 -4.604 1.00 0.00 C ATOM 593 C4' C B 219 13.223 -28.379 -3.501 1.00 0.00 C ATOM 594 O4' C B 219 12.840 -27.051 -3.719 1.00 0.00 O ATOM 595 C3' C B 219 11.834 -28.955 -3.761 1.00 0.00 C ATOM 596 O3' C B 219 11.766 -30.282 -3.243 1.00 0.00 O ATOM 597 C2' C B 219 10.883 -28.035 -3.048 1.00 0.00 C ATOM 598 O2' C B 219 10.955 -28.488 -1.715 1.00 0.00 O ATOM 599 C1' C B 219 11.539 -26.684 -3.318 1.00 0.00 C ATOM 600 N1 C B 219 10.858 -25.897 -4.367 1.00 0.00 N ATOM 601 C2 C B 219 9.990 -24.887 -3.958 1.00 0.00 C ATOM 602 O2 C B 219 9.831 -24.696 -2.748 1.00 0.00 O ATOM 603 N3 C B 219 9.358 -24.156 -4.895 1.00 0.00 N ATOM 604 C4 C B 219 9.540 -24.373 -6.183 1.00 0.00 C ATOM 605 N4 C B 219 8.907 -23.642 -7.093 1.00 0.00 N ATOM 606 C5 C B 219 10.435 -25.414 -6.633 1.00 0.00 C ATOM 607 C6 C B 219 11.056 -26.133 -5.688 1.00 0.00 C ATOM 0 H5' C B 219 15.099 -28.005 -4.471 1.00 0.00 H new ATOM 0 H5'' C B 219 14.572 -29.674 -4.553 1.00 0.00 H new ATOM 0 H4' C B 219 13.681 -28.728 -2.575 1.00 0.00 H new ATOM 0 H3' C B 219 11.592 -29.017 -4.822 1.00 0.00 H new ATOM 0 H2' C B 219 9.830 -27.990 -3.326 1.00 0.00 H new ATOM 0 HO2' C B 219 11.199 -29.437 -1.705 1.00 0.00 H new ATOM 0 H1' C B 219 11.505 -26.030 -2.446 1.00 0.00 H new ATOM 0 H41 C B 219 9.058 -23.821 -8.086 1.00 0.00 H new ATOM 0 H42 C B 219 8.270 -22.901 -6.799 1.00 0.00 H new ATOM 0 H5 C B 219 10.596 -25.604 -7.684 1.00 0.00 H new ATOM 0 H6 C B 219 11.732 -26.921 -5.986 1.00 0.00 H new ATOM 619 P C B 220 11.448 -31.508 -4.221 1.00 0.00 P ATOM 620 OP1 C B 220 12.230 -32.693 -3.806 1.00 0.00 O ATOM 621 OP2 C B 220 11.572 -31.067 -5.629 1.00 0.00 O ATOM 622 O5' C B 220 9.903 -31.807 -3.932 1.00 0.00 O ATOM 623 C5' C B 220 9.472 -32.104 -2.605 1.00 0.00 C ATOM 624 C4' C B 220 7.966 -31.995 -2.512 1.00 0.00 C ATOM 625 O4' C B 220 7.713 -30.621 -2.600 1.00 0.00 O ATOM 626 C3' C B 220 7.226 -32.388 -3.787 1.00 0.00 C ATOM 627 O3' C B 220 6.895 -33.785 -3.734 1.00 0.00 O ATOM 628 C2' C B 220 5.992 -31.529 -3.811 1.00 0.00 C ATOM 629 O2' C B 220 5.126 -32.205 -2.928 1.00 0.00 O ATOM 630 C1' C B 220 6.556 -30.208 -3.293 1.00 0.00 C ATOM 631 N1 C B 220 6.890 -29.248 -4.366 1.00 0.00 N ATOM 632 C2 C B 220 6.005 -28.196 -4.592 1.00 0.00 C ATOM 633 O2 C B 220 4.990 -28.114 -3.890 1.00 0.00 O ATOM 634 N3 C B 220 6.287 -27.308 -5.563 1.00 0.00 N ATOM 635 C4 C B 220 7.374 -27.410 -6.302 1.00 0.00 C ATOM 636 N4 C B 220 7.635 -26.525 -7.255 1.00 0.00 N ATOM 637 C5 C B 220 8.307 -28.493 -6.088 1.00 0.00 C ATOM 638 C6 C B 220 8.012 -29.368 -5.116 1.00 0.00 C ATOM 0 H5' C B 220 9.939 -31.416 -1.900 1.00 0.00 H new ATOM 0 H5'' C B 220 9.790 -33.109 -2.327 1.00 0.00 H new ATOM 0 H4' C B 220 7.668 -32.584 -1.645 1.00 0.00 H new ATOM 0 H3' C B 220 7.821 -32.237 -4.688 1.00 0.00 H new ATOM 0 H2' C B 220 5.448 -31.353 -4.739 1.00 0.00 H new ATOM 0 HO2' C B 220 5.367 -33.154 -2.896 1.00 0.00 H new ATOM 0 HO3' C B 220 6.418 -34.039 -4.551 1.00 0.00 H new ATOM 0 H1' C B 220 5.835 -29.666 -2.681 1.00 0.00 H new ATOM 0 H41 C B 220 8.480 -26.617 -7.819 1.00 0.00 H new ATOM 0 H42 C B 220 6.991 -25.753 -7.424 1.00 0.00 H new ATOM 0 H5 C B 220 9.202 -28.593 -6.684 1.00 0.00 H new ATOM 0 H6 C B 220 8.686 -30.190 -4.926 1.00 0.00 H new TER 650 C B 220 ATOM 651 N MET A 1 5.443 -11.923 5.361 1.00 0.00 N ATOM 652 CA MET A 1 4.057 -11.628 5.043 1.00 0.00 C ATOM 653 C MET A 1 3.842 -11.565 3.530 1.00 0.00 C ATOM 654 O MET A 1 4.785 -11.733 2.758 1.00 0.00 O ATOM 655 CB MET A 1 3.663 -10.290 5.671 1.00 0.00 C ATOM 656 CG MET A 1 2.712 -10.497 6.852 1.00 0.00 C ATOM 657 SD MET A 1 1.021 -10.487 6.283 1.00 0.00 S ATOM 658 CE MET A 1 0.257 -9.550 7.596 1.00 0.00 C ATOM 0 H1 MET A 1 5.721 -11.403 6.217 1.00 0.00 H new ATOM 0 H2 MET A 1 5.552 -12.944 5.526 1.00 0.00 H new ATOM 0 H3 MET A 1 6.050 -11.634 4.568 1.00 0.00 H new ATOM 0 HA MET A 1 3.434 -12.426 5.446 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.557 -9.765 6.007 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.186 -9.659 4.921 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.933 -11.443 7.346 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.860 -9.710 7.591 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.810 -9.448 7.397 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.402 -10.068 8.544 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.712 -8.561 7.649 1.00 0.00 H new ATOM 668 N GLN A 2 2.597 -11.321 3.151 1.00 0.00 N ATOM 669 CA GLN A 2 2.246 -11.234 1.743 1.00 0.00 C ATOM 670 C GLN A 2 3.149 -10.223 1.033 1.00 0.00 C ATOM 671 O GLN A 2 3.990 -9.585 1.665 1.00 0.00 O ATOM 672 CB GLN A 2 0.771 -10.869 1.567 1.00 0.00 C ATOM 673 CG GLN A 2 -0.085 -12.124 1.381 1.00 0.00 C ATOM 674 CD GLN A 2 -0.588 -12.236 -0.060 1.00 0.00 C ATOM 675 OE1 GLN A 2 0.125 -12.640 -0.964 1.00 0.00 O ATOM 676 NE2 GLN A 2 -1.853 -11.857 -0.223 1.00 0.00 N ATOM 0 H GLN A 2 1.818 -11.181 3.794 1.00 0.00 H new ATOM 0 HA GLN A 2 2.401 -12.213 1.289 1.00 0.00 H new ATOM 0 HB2 GLN A 2 0.424 -10.313 2.438 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.655 -10.214 0.704 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.499 -13.008 1.636 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -0.933 -12.095 2.065 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -2.394 -11.529 0.577 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -2.282 -11.895 -1.148 1.00 0.00 H new ATOM 685 N LYS A 3 2.944 -10.107 -0.271 1.00 0.00 N ATOM 686 CA LYS A 3 3.729 -9.184 -1.072 1.00 0.00 C ATOM 687 C LYS A 3 5.138 -9.752 -1.263 1.00 0.00 C ATOM 688 O LYS A 3 6.119 -9.143 -0.837 1.00 0.00 O ATOM 689 CB LYS A 3 3.709 -7.786 -0.455 1.00 0.00 C ATOM 690 CG LYS A 3 2.972 -6.796 -1.361 1.00 0.00 C ATOM 691 CD LYS A 3 1.459 -7.001 -1.282 1.00 0.00 C ATOM 692 CE LYS A 3 0.764 -5.750 -0.739 1.00 0.00 C ATOM 693 NZ LYS A 3 -0.158 -5.190 -1.752 1.00 0.00 N ATOM 0 H LYS A 3 2.246 -10.637 -0.792 1.00 0.00 H new ATOM 0 HA LYS A 3 3.291 -9.075 -2.064 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.224 -7.822 0.520 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.730 -7.443 -0.290 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.220 -5.776 -1.068 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.306 -6.922 -2.391 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.068 -7.238 -2.272 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.237 -7.853 -0.639 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.211 -5.998 0.167 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.509 -5.003 -0.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.085 -4.153 -1.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.096 -5.555 -2.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.134 -5.468 -1.524 1.00 0.00 H new ATOM 706 N GLY A 4 5.193 -10.911 -1.903 1.00 0.00 N ATOM 707 CA GLY A 4 6.465 -11.567 -2.154 1.00 0.00 C ATOM 708 C GLY A 4 7.392 -10.668 -2.976 1.00 0.00 C ATOM 709 O GLY A 4 8.614 -10.783 -2.886 1.00 0.00 O ATOM 0 H GLY A 4 4.377 -11.412 -2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.942 -11.818 -1.207 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.297 -12.504 -2.685 1.00 0.00 H new ATOM 713 N ASN A 5 6.776 -9.796 -3.759 1.00 0.00 N ATOM 714 CA ASN A 5 7.530 -8.879 -4.596 1.00 0.00 C ATOM 715 C ASN A 5 8.386 -7.971 -3.709 1.00 0.00 C ATOM 716 O ASN A 5 9.298 -7.304 -4.195 1.00 0.00 O ATOM 717 CB ASN A 5 6.596 -7.990 -5.421 1.00 0.00 C ATOM 718 CG ASN A 5 7.277 -7.527 -6.710 1.00 0.00 C ATOM 719 OD1 ASN A 5 7.783 -8.314 -7.492 1.00 0.00 O ATOM 720 ND2 ASN A 5 7.261 -6.208 -6.886 1.00 0.00 N ATOM 0 H ASN A 5 5.763 -9.705 -3.832 1.00 0.00 H new ATOM 0 HA ASN A 5 8.152 -9.470 -5.268 1.00 0.00 H new ATOM 0 HB2 ASN A 5 5.686 -8.539 -5.663 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.298 -7.123 -4.831 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.690 -5.799 -7.716 1.00 0.00 H new ATOM 0 HD22 ASN A 5 6.820 -5.606 -6.191 1.00 0.00 H new ATOM 727 N PHE A 6 8.061 -7.977 -2.424 1.00 0.00 N ATOM 728 CA PHE A 6 8.789 -7.162 -1.466 1.00 0.00 C ATOM 729 C PHE A 6 10.270 -7.544 -1.436 1.00 0.00 C ATOM 730 O PHE A 6 11.096 -6.798 -0.911 1.00 0.00 O ATOM 731 CB PHE A 6 8.175 -7.435 -0.092 1.00 0.00 C ATOM 732 CG PHE A 6 9.010 -6.910 1.078 1.00 0.00 C ATOM 733 CD1 PHE A 6 10.151 -7.555 1.444 1.00 0.00 C ATOM 734 CD2 PHE A 6 8.612 -5.797 1.752 1.00 0.00 C ATOM 735 CE1 PHE A 6 10.926 -7.066 2.528 1.00 0.00 C ATOM 736 CE2 PHE A 6 9.387 -5.309 2.837 1.00 0.00 C ATOM 737 CZ PHE A 6 10.527 -5.954 3.203 1.00 0.00 C ATOM 0 H PHE A 6 7.304 -8.532 -2.025 1.00 0.00 H new ATOM 0 HA PHE A 6 8.719 -6.110 -1.741 1.00 0.00 H new ATOM 0 HB2 PHE A 6 7.185 -6.981 -0.051 1.00 0.00 H new ATOM 0 HB3 PHE A 6 8.038 -8.510 0.026 1.00 0.00 H new ATOM 0 HD1 PHE A 6 10.467 -8.439 0.910 1.00 0.00 H new ATOM 0 HD2 PHE A 6 7.707 -5.285 1.462 1.00 0.00 H new ATOM 0 HE1 PHE A 6 11.833 -7.577 2.817 1.00 0.00 H new ATOM 0 HE2 PHE A 6 9.071 -4.425 3.372 1.00 0.00 H new ATOM 0 HZ PHE A 6 11.116 -5.584 4.029 1.00 0.00 H new ATOM 747 N ARG A 7 10.562 -8.704 -2.005 1.00 0.00 N ATOM 748 CA ARG A 7 11.929 -9.193 -2.050 1.00 0.00 C ATOM 749 C ARG A 7 12.820 -8.209 -2.811 1.00 0.00 C ATOM 750 O ARG A 7 14.045 -8.303 -2.754 1.00 0.00 O ATOM 751 CB ARG A 7 12.003 -10.563 -2.726 1.00 0.00 C ATOM 752 CG ARG A 7 11.594 -10.472 -4.198 1.00 0.00 C ATOM 753 CD ARG A 7 10.928 -11.769 -4.663 1.00 0.00 C ATOM 754 NE ARG A 7 10.545 -11.658 -6.088 1.00 0.00 N ATOM 755 CZ ARG A 7 9.584 -12.402 -6.674 1.00 0.00 C ATOM 756 NH1 ARG A 7 8.898 -13.320 -5.961 1.00 0.00 N ATOM 757 NH2 ARG A 7 9.324 -12.219 -7.955 1.00 0.00 N ATOM 0 H ARG A 7 9.874 -9.320 -2.439 1.00 0.00 H new ATOM 0 HA ARG A 7 12.280 -9.288 -1.022 1.00 0.00 H new ATOM 0 HB2 ARG A 7 13.017 -10.955 -2.650 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.350 -11.264 -2.206 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.908 -9.636 -4.338 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.472 -10.270 -4.811 1.00 0.00 H new ATOM 0 HD2 ARG A 7 11.611 -12.608 -4.526 1.00 0.00 H new ATOM 0 HD3 ARG A 7 10.046 -11.973 -4.056 1.00 0.00 H new ATOM 0 HE ARG A 7 11.039 -10.976 -6.664 1.00 0.00 H new ATOM 0 HH11 ARG A 7 9.104 -13.455 -4.971 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.173 -13.878 -6.412 1.00 0.00 H new ATOM 0 HH21 ARG A 7 9.847 -11.523 -8.487 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.601 -12.773 -8.413 1.00 0.00 H new ATOM 770 N ASN A 8 12.170 -7.287 -3.506 1.00 0.00 N ATOM 771 CA ASN A 8 12.889 -6.287 -4.277 1.00 0.00 C ATOM 772 C ASN A 8 13.827 -5.511 -3.351 1.00 0.00 C ATOM 773 O ASN A 8 14.920 -5.117 -3.756 1.00 0.00 O ATOM 774 CB ASN A 8 11.924 -5.286 -4.916 1.00 0.00 C ATOM 775 CG ASN A 8 11.105 -4.556 -3.849 1.00 0.00 C ATOM 776 OD1 ASN A 8 10.867 -5.056 -2.763 1.00 0.00 O ATOM 777 ND2 ASN A 8 10.691 -3.347 -4.219 1.00 0.00 N ATOM 0 H ASN A 8 11.154 -7.211 -3.551 1.00 0.00 H new ATOM 0 HA ASN A 8 13.447 -6.802 -5.059 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.484 -4.562 -5.508 1.00 0.00 H new ATOM 0 HB3 ASN A 8 11.254 -5.807 -5.600 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.139 -2.779 -3.577 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.926 -2.989 -5.145 1.00 0.00 H new ATOM 784 N GLN A 9 13.368 -5.316 -2.123 1.00 0.00 N ATOM 785 CA GLN A 9 14.154 -4.597 -1.136 1.00 0.00 C ATOM 786 C GLN A 9 15.497 -5.294 -0.915 1.00 0.00 C ATOM 787 O GLN A 9 16.393 -4.737 -0.283 1.00 0.00 O ATOM 788 CB GLN A 9 13.386 -4.456 0.180 1.00 0.00 C ATOM 789 CG GLN A 9 12.444 -3.251 0.141 1.00 0.00 C ATOM 790 CD GLN A 9 11.830 -2.990 1.517 1.00 0.00 C ATOM 791 OE1 GLN A 9 10.632 -3.103 1.723 1.00 0.00 O ATOM 792 NE2 GLN A 9 12.713 -2.635 2.445 1.00 0.00 N ATOM 0 H GLN A 9 12.461 -5.644 -1.790 1.00 0.00 H new ATOM 0 HA GLN A 9 14.347 -3.594 -1.516 1.00 0.00 H new ATOM 0 HB2 GLN A 9 12.813 -5.364 0.369 1.00 0.00 H new ATOM 0 HB3 GLN A 9 14.089 -4.345 1.005 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.991 -2.368 -0.190 1.00 0.00 H new ATOM 0 HG3 GLN A 9 11.652 -3.427 -0.587 1.00 0.00 H new ATOM 0 HE21 GLN A 9 13.702 -2.559 2.206 1.00 0.00 H new ATOM 0 HE22 GLN A 9 12.402 -2.438 3.396 1.00 0.00 H new ATOM 801 N ARG A 10 15.596 -6.503 -1.448 1.00 0.00 N ATOM 802 CA ARG A 10 16.815 -7.282 -1.317 1.00 0.00 C ATOM 803 C ARG A 10 18.015 -6.477 -1.817 1.00 0.00 C ATOM 804 O ARG A 10 19.159 -6.792 -1.492 1.00 0.00 O ATOM 805 CB ARG A 10 16.721 -8.589 -2.106 1.00 0.00 C ATOM 806 CG ARG A 10 16.704 -8.319 -3.613 1.00 0.00 C ATOM 807 CD ARG A 10 17.879 -9.012 -4.306 1.00 0.00 C ATOM 808 NE ARG A 10 19.007 -8.065 -4.457 1.00 0.00 N ATOM 809 CZ ARG A 10 20.058 -8.001 -3.611 1.00 0.00 C ATOM 810 NH1 ARG A 10 20.134 -8.829 -2.547 1.00 0.00 N ATOM 811 NH2 ARG A 10 21.010 -7.116 -3.841 1.00 0.00 N ATOM 0 H ARG A 10 14.851 -6.962 -1.972 1.00 0.00 H new ATOM 0 HA ARG A 10 16.946 -7.518 -0.261 1.00 0.00 H new ATOM 0 HB2 ARG A 10 17.567 -9.230 -1.857 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.818 -9.127 -1.819 1.00 0.00 H new ATOM 0 HG2 ARG A 10 15.765 -8.673 -4.039 1.00 0.00 H new ATOM 0 HG3 ARG A 10 16.752 -7.245 -3.795 1.00 0.00 H new ATOM 0 HD2 ARG A 10 18.196 -9.878 -3.725 1.00 0.00 H new ATOM 0 HD3 ARG A 10 17.569 -9.381 -5.284 1.00 0.00 H new ATOM 0 HE ARG A 10 18.989 -7.422 -5.248 1.00 0.00 H new ATOM 0 HH11 ARG A 10 19.394 -9.510 -2.377 1.00 0.00 H new ATOM 0 HH12 ARG A 10 20.931 -8.773 -1.914 1.00 0.00 H new ATOM 0 HH21 ARG A 10 20.945 -6.494 -4.647 1.00 0.00 H new ATOM 0 HH22 ARG A 10 21.811 -7.054 -3.213 1.00 0.00 H new ATOM 824 N LYS A 11 17.715 -5.451 -2.602 1.00 0.00 N ATOM 825 CA LYS A 11 18.755 -4.599 -3.151 1.00 0.00 C ATOM 826 C LYS A 11 18.720 -3.240 -2.448 1.00 0.00 C ATOM 827 O LYS A 11 19.446 -3.019 -1.480 1.00 0.00 O ATOM 828 CB LYS A 11 18.625 -4.507 -4.673 1.00 0.00 C ATOM 829 CG LYS A 11 19.774 -3.695 -5.273 1.00 0.00 C ATOM 830 CD LYS A 11 20.171 -4.239 -6.648 1.00 0.00 C ATOM 831 CE LYS A 11 19.171 -3.801 -7.719 1.00 0.00 C ATOM 832 NZ LYS A 11 19.864 -3.087 -8.814 1.00 0.00 N ATOM 0 H LYS A 11 16.766 -5.192 -2.870 1.00 0.00 H new ATOM 0 HA LYS A 11 19.738 -5.030 -2.963 1.00 0.00 H new ATOM 0 HB2 LYS A 11 18.620 -5.509 -5.102 1.00 0.00 H new ATOM 0 HB3 LYS A 11 17.673 -4.044 -4.933 1.00 0.00 H new ATOM 0 HG2 LYS A 11 19.477 -2.650 -5.363 1.00 0.00 H new ATOM 0 HG3 LYS A 11 20.634 -3.726 -4.604 1.00 0.00 H new ATOM 0 HD2 LYS A 11 21.168 -3.885 -6.909 1.00 0.00 H new ATOM 0 HD3 LYS A 11 20.219 -5.327 -6.613 1.00 0.00 H new ATOM 0 HE2 LYS A 11 18.651 -4.672 -8.117 1.00 0.00 H new ATOM 0 HE3 LYS A 11 18.415 -3.153 -7.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 19.333 -3.210 -9.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 19.925 -2.074 -8.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 20.822 -3.474 -8.929 1.00 0.00 H new ATOM 845 N THR A 12 17.866 -2.366 -2.961 1.00 0.00 N ATOM 846 CA THR A 12 17.725 -1.036 -2.394 1.00 0.00 C ATOM 847 C THR A 12 16.687 -0.230 -3.176 1.00 0.00 C ATOM 848 O THR A 12 16.918 0.934 -3.503 1.00 0.00 O ATOM 849 CB THR A 12 19.109 -0.384 -2.370 1.00 0.00 C ATOM 850 OG1 THR A 12 19.033 0.554 -1.301 1.00 0.00 O ATOM 851 CG2 THR A 12 19.371 0.480 -3.605 1.00 0.00 C ATOM 0 H THR A 12 17.265 -2.553 -3.763 1.00 0.00 H new ATOM 0 HA THR A 12 17.352 -1.079 -1.371 1.00 0.00 H new ATOM 0 HB THR A 12 19.873 -1.158 -2.300 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.890 1.021 -1.214 1.00 0.00 H new ATOM 0 HG21 THR A 12 20.366 0.919 -3.537 1.00 0.00 H new ATOM 0 HG22 THR A 12 19.307 -0.137 -4.501 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.627 1.275 -3.658 1.00 0.00 H new ATOM 859 N VAL A 13 15.567 -0.880 -3.455 1.00 0.00 N ATOM 860 CA VAL A 13 14.493 -0.237 -4.194 1.00 0.00 C ATOM 861 C VAL A 13 14.355 1.213 -3.727 1.00 0.00 C ATOM 862 O VAL A 13 14.719 1.544 -2.599 1.00 0.00 O ATOM 863 CB VAL A 13 13.200 -1.040 -4.039 1.00 0.00 C ATOM 864 CG1 VAL A 13 13.262 -2.341 -4.842 1.00 0.00 C ATOM 865 CG2 VAL A 13 12.900 -1.320 -2.565 1.00 0.00 C ATOM 0 H VAL A 13 15.380 -1.845 -3.183 1.00 0.00 H new ATOM 0 HA VAL A 13 14.722 -0.215 -5.259 1.00 0.00 H new ATOM 0 HB VAL A 13 12.384 -0.438 -4.438 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.330 -2.892 -4.714 1.00 0.00 H new ATOM 0 HG12 VAL A 13 13.405 -2.111 -5.898 1.00 0.00 H new ATOM 0 HG13 VAL A 13 14.095 -2.948 -4.487 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.976 -1.892 -2.484 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.720 -1.891 -2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.791 -0.376 -2.030 1.00 0.00 H new ATOM 875 N LYS A 14 13.829 2.040 -4.618 1.00 0.00 N ATOM 876 CA LYS A 14 13.639 3.448 -4.312 1.00 0.00 C ATOM 877 C LYS A 14 12.153 3.716 -4.068 1.00 0.00 C ATOM 878 O LYS A 14 11.298 3.188 -4.778 1.00 0.00 O ATOM 879 CB LYS A 14 14.250 4.322 -5.409 1.00 0.00 C ATOM 880 CG LYS A 14 13.698 5.747 -5.345 1.00 0.00 C ATOM 881 CD LYS A 14 14.817 6.777 -5.523 1.00 0.00 C ATOM 882 CE LYS A 14 14.627 7.575 -6.814 1.00 0.00 C ATOM 883 NZ LYS A 14 15.936 7.889 -7.427 1.00 0.00 N ATOM 0 H LYS A 14 13.528 1.762 -5.552 1.00 0.00 H new ATOM 0 HA LYS A 14 14.166 3.713 -3.395 1.00 0.00 H new ATOM 0 HB2 LYS A 14 15.334 4.343 -5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.036 3.889 -6.386 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.945 5.885 -6.121 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.201 5.906 -4.388 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.830 7.456 -4.670 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.782 6.271 -5.543 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.018 7.004 -7.515 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.088 8.498 -6.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.788 8.431 -8.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.504 8.452 -6.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.437 7.005 -7.648 1.00 0.00 H new ATOM 896 N CYS A 15 11.890 4.537 -3.062 1.00 0.00 N ATOM 897 CA CYS A 15 10.521 4.882 -2.716 1.00 0.00 C ATOM 898 C CYS A 15 10.021 5.926 -3.717 1.00 0.00 C ATOM 899 O CYS A 15 10.471 7.070 -3.702 1.00 0.00 O ATOM 900 CB CYS A 15 10.410 5.377 -1.273 1.00 0.00 C ATOM 901 SG CYS A 15 8.658 5.694 -0.852 1.00 0.00 S ATOM 0 H CYS A 15 12.601 4.973 -2.475 1.00 0.00 H new ATOM 0 HA CYS A 15 9.893 3.993 -2.775 1.00 0.00 H new ATOM 0 HB2 CYS A 15 10.827 4.635 -0.592 1.00 0.00 H new ATOM 0 HB3 CYS A 15 10.993 6.289 -1.147 1.00 0.00 H new ATOM 906 N PHE A 16 9.097 5.493 -4.563 1.00 0.00 N ATOM 907 CA PHE A 16 8.531 6.375 -5.569 1.00 0.00 C ATOM 908 C PHE A 16 7.593 7.402 -4.931 1.00 0.00 C ATOM 909 O PHE A 16 7.031 8.248 -5.625 1.00 0.00 O ATOM 910 CB PHE A 16 7.730 5.499 -6.533 1.00 0.00 C ATOM 911 CG PHE A 16 8.588 4.762 -7.564 1.00 0.00 C ATOM 912 CD1 PHE A 16 9.572 5.427 -8.229 1.00 0.00 C ATOM 913 CD2 PHE A 16 8.368 3.445 -7.817 1.00 0.00 C ATOM 914 CE1 PHE A 16 10.368 4.744 -9.186 1.00 0.00 C ATOM 915 CE2 PHE A 16 9.164 2.761 -8.774 1.00 0.00 C ATOM 916 CZ PHE A 16 10.147 3.426 -9.438 1.00 0.00 C ATOM 0 H PHE A 16 8.727 4.543 -4.572 1.00 0.00 H new ATOM 0 HA PHE A 16 9.327 6.917 -6.079 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.163 4.767 -5.957 1.00 0.00 H new ATOM 0 HB3 PHE A 16 7.005 6.122 -7.057 1.00 0.00 H new ATOM 0 HD1 PHE A 16 9.747 6.474 -8.029 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.587 2.918 -7.290 1.00 0.00 H new ATOM 0 HE1 PHE A 16 11.149 5.271 -9.714 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.989 1.714 -8.974 1.00 0.00 H new ATOM 0 HZ PHE A 16 10.753 2.907 -10.166 1.00 0.00 H new ATOM 926 N ASN A 17 7.452 7.293 -3.619 1.00 0.00 N ATOM 927 CA ASN A 17 6.591 8.201 -2.880 1.00 0.00 C ATOM 928 C ASN A 17 7.411 9.403 -2.407 1.00 0.00 C ATOM 929 O ASN A 17 7.199 10.523 -2.867 1.00 0.00 O ATOM 930 CB ASN A 17 5.998 7.518 -1.647 1.00 0.00 C ATOM 931 CG ASN A 17 4.660 8.150 -1.259 1.00 0.00 C ATOM 932 OD1 ASN A 17 3.905 8.628 -2.090 1.00 0.00 O ATOM 933 ND2 ASN A 17 4.410 8.128 0.047 1.00 0.00 N ATOM 0 H ASN A 17 7.920 6.589 -3.048 1.00 0.00 H new ATOM 0 HA ASN A 17 5.783 8.513 -3.542 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.858 6.456 -1.848 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.696 7.595 -0.813 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.543 8.527 0.407 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.085 7.712 0.689 1.00 0.00 H new ATOM 940 N CYS A 18 8.330 9.128 -1.494 1.00 0.00 N ATOM 941 CA CYS A 18 9.184 10.172 -0.953 1.00 0.00 C ATOM 942 C CYS A 18 10.343 10.397 -1.925 1.00 0.00 C ATOM 943 O CYS A 18 10.686 11.536 -2.236 1.00 0.00 O ATOM 944 CB CYS A 18 9.676 9.828 0.455 1.00 0.00 C ATOM 945 SG CYS A 18 10.648 8.278 0.416 1.00 0.00 S ATOM 0 H CYS A 18 8.502 8.197 -1.115 1.00 0.00 H new ATOM 0 HA CYS A 18 8.614 11.095 -0.851 1.00 0.00 H new ATOM 0 HB2 CYS A 18 10.288 10.641 0.844 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.827 9.718 1.129 1.00 0.00 H new ATOM 950 N GLY A 19 10.917 9.290 -2.376 1.00 0.00 N ATOM 951 CA GLY A 19 12.033 9.352 -3.306 1.00 0.00 C ATOM 952 C GLY A 19 13.339 8.947 -2.622 1.00 0.00 C ATOM 953 O GLY A 19 14.407 9.451 -2.968 1.00 0.00 O ATOM 0 H GLY A 19 10.631 8.346 -2.115 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.842 8.693 -4.153 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.124 10.363 -3.703 1.00 0.00 H new ATOM 957 N LYS A 20 13.212 8.040 -1.664 1.00 0.00 N ATOM 958 CA LYS A 20 14.372 7.562 -0.929 1.00 0.00 C ATOM 959 C LYS A 20 14.773 6.185 -1.459 1.00 0.00 C ATOM 960 O LYS A 20 14.220 5.711 -2.451 1.00 0.00 O ATOM 961 CB LYS A 20 14.097 7.586 0.576 1.00 0.00 C ATOM 962 CG LYS A 20 15.288 8.171 1.340 1.00 0.00 C ATOM 963 CD LYS A 20 14.838 8.786 2.667 1.00 0.00 C ATOM 964 CE LYS A 20 16.016 9.432 3.399 1.00 0.00 C ATOM 965 NZ LYS A 20 15.873 10.905 3.410 1.00 0.00 N ATOM 0 H LYS A 20 12.325 7.624 -1.380 1.00 0.00 H new ATOM 0 HA LYS A 20 15.224 8.224 -1.086 1.00 0.00 H new ATOM 0 HB2 LYS A 20 13.204 8.178 0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 20 13.895 6.575 0.929 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.024 7.389 1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 20 15.778 8.930 0.731 1.00 0.00 H new ATOM 0 HD2 LYS A 20 14.066 9.533 2.482 1.00 0.00 H new ATOM 0 HD3 LYS A 20 14.392 8.016 3.296 1.00 0.00 H new ATOM 0 HE2 LYS A 20 16.066 9.058 4.421 1.00 0.00 H new ATOM 0 HE3 LYS A 20 16.951 9.155 2.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.680 11.328 3.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 15.848 11.259 2.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 14.990 11.164 3.895 1.00 0.00 H new ATOM 978 N GLU A 21 15.732 5.578 -0.774 1.00 0.00 N ATOM 979 CA GLU A 21 16.214 4.264 -1.163 1.00 0.00 C ATOM 980 C GLU A 21 16.286 3.342 0.055 1.00 0.00 C ATOM 981 O GLU A 21 16.924 3.675 1.053 1.00 0.00 O ATOM 982 CB GLU A 21 17.574 4.362 -1.857 1.00 0.00 C ATOM 983 CG GLU A 21 17.427 4.240 -3.375 1.00 0.00 C ATOM 984 CD GLU A 21 18.550 4.986 -4.096 1.00 0.00 C ATOM 985 OE1 GLU A 21 19.704 4.535 -4.080 1.00 0.00 O ATOM 986 OE2 GLU A 21 18.189 6.072 -4.692 1.00 0.00 O ATOM 0 H GLU A 21 16.188 5.973 0.049 1.00 0.00 H new ATOM 0 HA GLU A 21 15.509 3.837 -1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 21 18.045 5.313 -1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 21 18.232 3.575 -1.488 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.441 3.189 -3.662 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.462 4.642 -3.684 1.00 0.00 H new ATOM 994 N GLY A 22 15.620 2.203 -0.065 1.00 0.00 N ATOM 995 CA GLY A 22 15.600 1.230 1.015 1.00 0.00 C ATOM 996 C GLY A 22 14.185 0.696 1.245 1.00 0.00 C ATOM 997 O GLY A 22 14.010 -0.394 1.787 1.00 0.00 O ATOM 0 H GLY A 22 15.090 1.932 -0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.270 0.404 0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 22 15.972 1.690 1.930 1.00 0.00 H new ATOM 1001 N HIS A 23 13.211 1.490 0.822 1.00 0.00 N ATOM 1002 CA HIS A 23 11.818 1.110 0.976 1.00 0.00 C ATOM 1003 C HIS A 23 11.010 1.626 -0.217 1.00 0.00 C ATOM 1004 O HIS A 23 11.426 2.567 -0.892 1.00 0.00 O ATOM 1005 CB HIS A 23 11.267 1.596 2.318 1.00 0.00 C ATOM 1006 CG HIS A 23 10.919 3.065 2.344 1.00 0.00 C ATOM 1007 ND1 HIS A 23 11.814 4.040 2.748 1.00 0.00 N ATOM 1008 CD2 HIS A 23 9.766 3.714 2.013 1.00 0.00 C ATOM 1009 CE1 HIS A 23 11.216 5.220 2.659 1.00 0.00 C ATOM 1010 NE2 HIS A 23 9.947 5.015 2.203 1.00 0.00 N ATOM 0 H HIS A 23 13.360 2.394 0.373 1.00 0.00 H new ATOM 0 HA HIS A 23 11.734 0.023 0.986 1.00 0.00 H new ATOM 0 HB2 HIS A 23 10.376 1.018 2.564 1.00 0.00 H new ATOM 0 HB3 HIS A 23 12.003 1.394 3.096 1.00 0.00 H new ATOM 0 HD1 HIS A 23 12.771 3.878 3.061 1.00 0.00 H new ATOM 0 HD2 HIS A 23 8.859 3.248 1.657 1.00 0.00 H new ATOM 0 HE1 HIS A 23 11.656 6.175 2.904 1.00 0.00 H new ATOM 1018 N ILE A 24 9.872 0.988 -0.441 1.00 0.00 N ATOM 1019 CA ILE A 24 9.003 1.370 -1.541 1.00 0.00 C ATOM 1020 C ILE A 24 7.761 2.071 -0.985 1.00 0.00 C ATOM 1021 O ILE A 24 7.467 1.967 0.204 1.00 0.00 O ATOM 1022 CB ILE A 24 8.684 0.158 -2.419 1.00 0.00 C ATOM 1023 CG1 ILE A 24 7.680 -0.769 -1.729 1.00 0.00 C ATOM 1024 CG2 ILE A 24 9.962 -0.580 -2.821 1.00 0.00 C ATOM 1025 CD1 ILE A 24 7.023 -1.713 -2.737 1.00 0.00 C ATOM 0 H ILE A 24 9.531 0.208 0.121 1.00 0.00 H new ATOM 0 HA ILE A 24 9.507 2.083 -2.194 1.00 0.00 H new ATOM 0 HB ILE A 24 8.216 0.515 -3.337 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.186 -1.350 -0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.915 -0.175 -1.230 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.707 -1.437 -3.444 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.611 0.094 -3.379 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.480 -0.924 -1.926 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.314 -2.361 -2.221 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.497 -1.130 -3.493 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.788 -2.323 -3.217 1.00 0.00 H new ATOM 1037 N ALA A 25 7.068 2.768 -1.873 1.00 0.00 N ATOM 1038 CA ALA A 25 5.865 3.486 -1.485 1.00 0.00 C ATOM 1039 C ALA A 25 4.983 2.571 -0.633 1.00 0.00 C ATOM 1040 O ALA A 25 4.349 3.025 0.318 1.00 0.00 O ATOM 1041 CB ALA A 25 5.145 3.989 -2.738 1.00 0.00 C ATOM 0 H ALA A 25 7.316 2.851 -2.859 1.00 0.00 H new ATOM 0 HA ALA A 25 6.116 4.358 -0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.243 4.527 -2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.804 4.657 -3.293 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.875 3.141 -3.367 1.00 0.00 H new ATOM 1047 N LYS A 26 4.971 1.300 -1.004 1.00 0.00 N ATOM 1048 CA LYS A 26 4.177 0.318 -0.286 1.00 0.00 C ATOM 1049 C LYS A 26 4.633 0.269 1.174 1.00 0.00 C ATOM 1050 O LYS A 26 3.810 0.307 2.086 1.00 0.00 O ATOM 1051 CB LYS A 26 4.234 -1.038 -0.993 1.00 0.00 C ATOM 1052 CG LYS A 26 4.104 -0.872 -2.508 1.00 0.00 C ATOM 1053 CD LYS A 26 3.713 -2.194 -3.173 1.00 0.00 C ATOM 1054 CE LYS A 26 2.538 -2.848 -2.444 1.00 0.00 C ATOM 1055 NZ LYS A 26 1.657 -3.548 -3.404 1.00 0.00 N ATOM 0 H LYS A 26 5.499 0.927 -1.793 1.00 0.00 H new ATOM 0 HA LYS A 26 3.126 0.607 -0.283 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.175 -1.536 -0.757 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.433 -1.679 -0.624 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.354 -0.113 -2.731 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.049 -0.518 -2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.446 -2.016 -4.215 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.567 -2.871 -3.174 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.911 -3.554 -1.702 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.969 -2.090 -1.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.677 -3.223 -3.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.967 -3.341 -4.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.706 -4.573 -3.236 1.00 0.00 H new ATOM 1068 N ASN A 27 5.944 0.186 1.350 1.00 0.00 N ATOM 1069 CA ASN A 27 6.519 0.133 2.682 1.00 0.00 C ATOM 1070 C ASN A 27 6.868 1.550 3.140 1.00 0.00 C ATOM 1071 O ASN A 27 7.650 1.730 4.073 1.00 0.00 O ATOM 1072 CB ASN A 27 7.804 -0.698 2.694 1.00 0.00 C ATOM 1073 CG ASN A 27 7.528 -2.142 2.271 1.00 0.00 C ATOM 1074 OD1 ASN A 27 6.717 -2.843 2.853 1.00 0.00 O ATOM 1075 ND2 ASN A 27 8.244 -2.545 1.226 1.00 0.00 N ATOM 0 H ASN A 27 6.624 0.154 0.591 1.00 0.00 H new ATOM 0 HA ASN A 27 5.787 -0.325 3.347 1.00 0.00 H new ATOM 0 HB2 ASN A 27 8.536 -0.252 2.021 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.240 -0.685 3.693 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.131 -3.492 0.865 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.906 -1.907 0.785 1.00 0.00 H new ATOM 1082 N CYS A 28 6.273 2.521 2.462 1.00 0.00 N ATOM 1083 CA CYS A 28 6.512 3.916 2.787 1.00 0.00 C ATOM 1084 C CYS A 28 5.487 4.347 3.838 1.00 0.00 C ATOM 1085 O CYS A 28 4.292 4.105 3.678 1.00 0.00 O ATOM 1086 CB CYS A 28 6.461 4.804 1.542 1.00 0.00 C ATOM 1087 SG CYS A 28 6.921 6.521 1.978 1.00 0.00 S ATOM 0 H CYS A 28 5.626 2.368 1.689 1.00 0.00 H new ATOM 0 HA CYS A 28 7.517 4.030 3.193 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.141 4.418 0.782 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.459 4.785 1.113 1.00 0.00 H new ATOM 1092 N ARG A 29 5.992 4.977 4.888 1.00 0.00 N ATOM 1093 CA ARG A 29 5.135 5.444 5.964 1.00 0.00 C ATOM 1094 C ARG A 29 4.279 6.619 5.489 1.00 0.00 C ATOM 1095 O ARG A 29 3.172 6.826 5.985 1.00 0.00 O ATOM 1096 CB ARG A 29 5.961 5.879 7.176 1.00 0.00 C ATOM 1097 CG ARG A 29 6.855 7.072 6.830 1.00 0.00 C ATOM 1098 CD ARG A 29 6.302 8.365 7.433 1.00 0.00 C ATOM 1099 NE ARG A 29 7.405 9.319 7.686 1.00 0.00 N ATOM 1100 CZ ARG A 29 8.296 9.194 8.693 1.00 0.00 C ATOM 1101 NH1 ARG A 29 8.222 8.154 9.549 1.00 0.00 N ATOM 1102 NH2 ARG A 29 9.243 10.105 8.825 1.00 0.00 N ATOM 0 H ARG A 29 6.984 5.175 5.017 1.00 0.00 H new ATOM 0 HA ARG A 29 4.489 4.616 6.257 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.296 6.145 7.998 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.576 5.047 7.520 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.864 6.895 7.203 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.929 7.174 5.747 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.574 8.810 6.755 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.778 8.147 8.364 1.00 0.00 H new ATOM 0 HE ARG A 29 7.498 10.120 7.061 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.489 7.454 9.439 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.899 8.068 10.307 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.293 10.887 8.172 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.924 10.027 9.580 1.00 0.00 H new ATOM 1115 N ALA A 30 4.823 7.359 4.535 1.00 0.00 N ATOM 1116 CA ALA A 30 4.123 8.509 3.988 1.00 0.00 C ATOM 1117 C ALA A 30 2.884 8.031 3.227 1.00 0.00 C ATOM 1118 O ALA A 30 2.844 6.900 2.745 1.00 0.00 O ATOM 1119 CB ALA A 30 5.076 9.313 3.102 1.00 0.00 C ATOM 0 H ALA A 30 5.741 7.185 4.126 1.00 0.00 H new ATOM 0 HA ALA A 30 3.786 9.169 4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.551 10.176 2.692 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.925 9.653 3.695 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.433 8.684 2.287 1.00 0.00 H new ATOM 1125 N PRO A 31 1.876 8.940 3.143 1.00 0.00 N ATOM 1126 CA PRO A 31 0.639 8.623 2.450 1.00 0.00 C ATOM 1127 C PRO A 31 0.837 8.651 0.933 1.00 0.00 C ATOM 1128 O PRO A 31 1.713 9.354 0.431 1.00 0.00 O ATOM 1129 CB PRO A 31 -0.362 9.659 2.937 1.00 0.00 C ATOM 1130 CG PRO A 31 0.464 10.793 3.522 1.00 0.00 C ATOM 1131 CD PRO A 31 1.887 10.288 3.704 1.00 0.00 C ATOM 0 HA PRO A 31 0.285 7.615 2.663 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.987 10.014 2.118 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.030 9.235 3.687 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.448 11.658 2.859 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.048 11.115 4.477 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.603 10.926 3.187 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.172 10.277 4.756 1.00 0.00 H new ATOM 1139 N ARG A 32 0.009 7.878 0.246 1.00 0.00 N ATOM 1140 CA ARG A 32 0.083 7.805 -1.204 1.00 0.00 C ATOM 1141 C ARG A 32 -0.019 9.205 -1.811 1.00 0.00 C ATOM 1142 O ARG A 32 -1.087 9.816 -1.795 1.00 0.00 O ATOM 1143 CB ARG A 32 -1.036 6.928 -1.769 1.00 0.00 C ATOM 1144 CG ARG A 32 -1.042 5.550 -1.103 1.00 0.00 C ATOM 1145 CD ARG A 32 -0.690 4.454 -2.111 1.00 0.00 C ATOM 1146 NE ARG A 32 0.579 3.799 -1.724 1.00 0.00 N ATOM 1147 CZ ARG A 32 0.785 3.185 -0.539 1.00 0.00 C ATOM 1148 NH1 ARG A 32 -0.198 3.135 0.386 1.00 0.00 N ATOM 1149 NH2 ARG A 32 1.959 2.633 -0.299 1.00 0.00 N ATOM 0 H ARG A 32 -0.716 7.297 0.666 1.00 0.00 H new ATOM 0 HA ARG A 32 1.044 7.361 -1.466 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.999 7.415 -1.613 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.906 6.815 -2.845 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.327 5.536 -0.280 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.025 5.353 -0.674 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.491 3.716 -2.153 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.598 4.882 -3.109 1.00 0.00 H new ATOM 0 HE ARG A 32 1.347 3.812 -2.395 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.103 3.563 0.192 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.035 2.669 1.279 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.695 2.674 -1.004 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.130 2.166 0.591 1.00 0.00 H new ATOM 1162 N LYS A 33 1.106 9.674 -2.333 1.00 0.00 N ATOM 1163 CA LYS A 33 1.155 10.990 -2.944 1.00 0.00 C ATOM 1164 C LYS A 33 1.981 10.919 -4.231 1.00 0.00 C ATOM 1165 O LYS A 33 2.425 9.843 -4.628 1.00 0.00 O ATOM 1166 CB LYS A 33 1.667 12.027 -1.942 1.00 0.00 C ATOM 1167 CG LYS A 33 0.559 13.011 -1.558 1.00 0.00 C ATOM 1168 CD LYS A 33 0.768 13.545 -0.139 1.00 0.00 C ATOM 1169 CE LYS A 33 -0.569 13.883 0.522 1.00 0.00 C ATOM 1170 NZ LYS A 33 -0.900 15.311 0.322 1.00 0.00 N ATOM 0 H LYS A 33 1.990 9.165 -2.345 1.00 0.00 H new ATOM 0 HA LYS A 33 0.154 11.318 -3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.037 11.523 -1.049 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.508 12.570 -2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.544 13.841 -2.264 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.410 12.517 -1.626 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.296 12.802 0.459 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.397 14.434 -0.170 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.357 13.259 0.102 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.521 13.661 1.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.811 15.523 0.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.156 15.902 0.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.966 15.513 -0.696 1.00 0.00 H new ATOM 1183 N LYS A 34 2.161 12.079 -4.845 1.00 0.00 N ATOM 1184 CA LYS A 34 2.925 12.162 -6.077 1.00 0.00 C ATOM 1185 C LYS A 34 3.729 13.464 -6.089 1.00 0.00 C ATOM 1186 O LYS A 34 3.672 14.225 -7.054 1.00 0.00 O ATOM 1187 CB LYS A 34 2.007 11.996 -7.290 1.00 0.00 C ATOM 1188 CG LYS A 34 2.390 10.757 -8.103 1.00 0.00 C ATOM 1189 CD LYS A 34 1.663 10.739 -9.449 1.00 0.00 C ATOM 1190 CE LYS A 34 2.176 9.600 -10.333 1.00 0.00 C ATOM 1191 NZ LYS A 34 2.747 10.137 -11.589 1.00 0.00 N ATOM 0 H LYS A 34 1.791 12.969 -4.512 1.00 0.00 H new ATOM 0 HA LYS A 34 3.643 11.343 -6.134 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.972 11.912 -6.958 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.069 12.883 -7.921 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.467 10.744 -8.267 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.143 9.857 -7.540 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.591 10.624 -9.286 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.807 11.692 -9.957 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.934 9.028 -9.797 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.361 8.913 -10.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.091 9.352 -12.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.014 10.663 -12.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.538 10.774 -11.366 1.00 0.00 H new ATOM 1204 N GLY A 35 4.458 13.682 -5.004 1.00 0.00 N ATOM 1205 CA GLY A 35 5.271 14.879 -4.877 1.00 0.00 C ATOM 1206 C GLY A 35 6.674 14.651 -5.441 1.00 0.00 C ATOM 1207 O GLY A 35 7.403 13.779 -4.969 1.00 0.00 O ATOM 0 H GLY A 35 4.502 13.050 -4.205 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.793 15.705 -5.404 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.339 15.167 -3.828 1.00 0.00 H new ATOM 1211 N CYS A 36 7.013 15.450 -6.441 1.00 0.00 N ATOM 1212 CA CYS A 36 8.316 15.347 -7.075 1.00 0.00 C ATOM 1213 C CYS A 36 9.389 15.540 -6.000 1.00 0.00 C ATOM 1214 O CYS A 36 9.432 16.577 -5.341 1.00 0.00 O ATOM 1215 CB CYS A 36 8.470 16.348 -8.221 1.00 0.00 C ATOM 1216 SG CYS A 36 10.211 16.391 -8.786 1.00 0.00 S ATOM 0 H CYS A 36 6.407 16.173 -6.829 1.00 0.00 H new ATOM 0 HA CYS A 36 8.427 14.361 -7.526 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.817 16.069 -9.048 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.161 17.340 -7.892 1.00 0.00 H new ATOM 1221 N TRP A 37 10.227 14.524 -5.858 1.00 0.00 N ATOM 1222 CA TRP A 37 11.297 14.569 -4.875 1.00 0.00 C ATOM 1223 C TRP A 37 12.484 15.302 -5.502 1.00 0.00 C ATOM 1224 O TRP A 37 13.636 14.924 -5.287 1.00 0.00 O ATOM 1225 CB TRP A 37 11.652 13.164 -4.386 1.00 0.00 C ATOM 1226 CG TRP A 37 10.679 12.079 -4.850 1.00 0.00 C ATOM 1227 CD1 TRP A 37 9.428 11.855 -4.423 1.00 0.00 C ATOM 1228 CD2 TRP A 37 10.927 11.073 -5.856 1.00 0.00 C ATOM 1229 NE1 TRP A 37 8.855 10.782 -5.076 1.00 0.00 N ATOM 1230 CE2 TRP A 37 9.796 10.292 -5.975 1.00 0.00 C ATOM 1231 CE3 TRP A 37 12.070 10.831 -6.637 1.00 0.00 C ATOM 1232 CZ2 TRP A 37 9.696 9.217 -6.866 1.00 0.00 C ATOM 1233 CZ3 TRP A 37 11.955 9.753 -7.524 1.00 0.00 C ATOM 1234 CH2 TRP A 37 10.824 8.958 -7.656 1.00 0.00 C ATOM 0 H TRP A 37 10.187 13.665 -6.407 1.00 0.00 H new ATOM 0 HA TRP A 37 10.981 15.115 -3.986 1.00 0.00 H new ATOM 0 HB2 TRP A 37 12.654 12.912 -4.734 1.00 0.00 H new ATOM 0 HB3 TRP A 37 11.684 13.167 -3.296 1.00 0.00 H new ATOM 0 HD1 TRP A 37 8.931 12.440 -3.664 1.00 0.00 H new ATOM 0 HE1 TRP A 37 7.915 10.416 -4.927 1.00 0.00 H new ATOM 0 HE3 TRP A 37 12.966 11.429 -6.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 8.799 8.620 -6.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.805 9.524 -8.149 1.00 0.00 H new ATOM 0 HH2 TRP A 37 10.814 8.143 -8.365 1.00 0.00 H new ATOM 1245 N LYS A 38 12.165 16.338 -6.265 1.00 0.00 N ATOM 1246 CA LYS A 38 13.191 17.127 -6.923 1.00 0.00 C ATOM 1247 C LYS A 38 12.898 18.614 -6.713 1.00 0.00 C ATOM 1248 O LYS A 38 13.781 19.374 -6.319 1.00 0.00 O ATOM 1249 CB LYS A 38 13.313 16.726 -8.395 1.00 0.00 C ATOM 1250 CG LYS A 38 14.773 16.484 -8.778 1.00 0.00 C ATOM 1251 CD LYS A 38 15.495 17.805 -9.052 1.00 0.00 C ATOM 1252 CE LYS A 38 16.330 18.235 -7.845 1.00 0.00 C ATOM 1253 NZ LYS A 38 17.115 19.449 -8.162 1.00 0.00 N ATOM 0 H LYS A 38 11.210 16.649 -6.442 1.00 0.00 H new ATOM 0 HA LYS A 38 14.167 16.929 -6.480 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.731 15.823 -8.579 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.893 17.510 -9.025 1.00 0.00 H new ATOM 0 HG2 LYS A 38 15.279 15.949 -7.975 1.00 0.00 H new ATOM 0 HG3 LYS A 38 14.820 15.850 -9.663 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.139 17.697 -9.924 1.00 0.00 H new ATOM 0 HD3 LYS A 38 14.766 18.580 -9.289 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.677 18.429 -6.994 1.00 0.00 H new ATOM 0 HE3 LYS A 38 17.001 17.427 -7.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.676 19.727 -7.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.752 19.252 -8.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.469 20.223 -8.418 1.00 0.00 H new ATOM 1266 N CYS A 39 11.655 18.984 -6.986 1.00 0.00 N ATOM 1267 CA CYS A 39 11.236 20.367 -6.833 1.00 0.00 C ATOM 1268 C CYS A 39 10.296 20.452 -5.629 1.00 0.00 C ATOM 1269 O CYS A 39 10.256 21.468 -4.938 1.00 0.00 O ATOM 1270 CB CYS A 39 10.581 20.904 -8.106 1.00 0.00 C ATOM 1271 SG CYS A 39 9.245 19.775 -8.648 1.00 0.00 S ATOM 0 H CYS A 39 10.925 18.350 -7.312 1.00 0.00 H new ATOM 0 HA CYS A 39 12.108 20.997 -6.659 1.00 0.00 H new ATOM 0 HB2 CYS A 39 10.176 21.899 -7.924 1.00 0.00 H new ATOM 0 HB3 CYS A 39 11.327 21.003 -8.895 1.00 0.00 H new ATOM 1276 N GLY A 40 9.562 19.370 -5.413 1.00 0.00 N ATOM 1277 CA GLY A 40 8.624 19.309 -4.305 1.00 0.00 C ATOM 1278 C GLY A 40 7.211 19.682 -4.760 1.00 0.00 C ATOM 1279 O GLY A 40 6.377 20.077 -3.947 1.00 0.00 O ATOM 0 H GLY A 40 9.598 18.528 -5.987 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.620 18.304 -3.882 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.946 19.986 -3.514 1.00 0.00 H new ATOM 1283 N LYS A 41 6.987 19.543 -6.058 1.00 0.00 N ATOM 1284 CA LYS A 41 5.689 19.860 -6.631 1.00 0.00 C ATOM 1285 C LYS A 41 4.847 18.586 -6.711 1.00 0.00 C ATOM 1286 O LYS A 41 5.294 17.574 -7.248 1.00 0.00 O ATOM 1287 CB LYS A 41 5.857 20.572 -7.975 1.00 0.00 C ATOM 1288 CG LYS A 41 5.042 21.867 -8.015 1.00 0.00 C ATOM 1289 CD LYS A 41 4.266 21.985 -9.329 1.00 0.00 C ATOM 1290 CE LYS A 41 3.010 22.840 -9.148 1.00 0.00 C ATOM 1291 NZ LYS A 41 3.246 24.217 -9.638 1.00 0.00 N ATOM 0 H LYS A 41 7.681 19.215 -6.729 1.00 0.00 H new ATOM 0 HA LYS A 41 5.150 20.559 -5.991 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.910 20.796 -8.143 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.539 19.913 -8.782 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.348 21.890 -7.175 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.707 22.723 -7.903 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.904 22.427 -10.094 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.987 20.992 -9.681 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.177 22.392 -9.690 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.729 22.865 -8.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.384 24.784 -9.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.027 24.647 -9.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.493 24.189 -10.648 1.00 0.00 H new ATOM 1304 N GLU A 42 3.642 18.677 -6.168 1.00 0.00 N ATOM 1305 CA GLU A 42 2.733 17.543 -6.171 1.00 0.00 C ATOM 1306 C GLU A 42 1.910 17.526 -7.461 1.00 0.00 C ATOM 1307 O GLU A 42 1.111 18.430 -7.704 1.00 0.00 O ATOM 1308 CB GLU A 42 1.823 17.567 -4.942 1.00 0.00 C ATOM 1309 CG GLU A 42 0.883 18.774 -4.978 1.00 0.00 C ATOM 1310 CD GLU A 42 0.853 19.486 -3.623 1.00 0.00 C ATOM 1311 OE1 GLU A 42 1.894 19.596 -2.957 1.00 0.00 O ATOM 1312 OE2 GLU A 42 -0.304 19.933 -3.268 1.00 0.00 O ATOM 0 H GLU A 42 3.274 19.518 -5.723 1.00 0.00 H new ATOM 0 HA GLU A 42 3.324 16.628 -6.127 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.239 16.648 -4.900 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.429 17.601 -4.037 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.208 19.470 -5.751 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.123 18.449 -5.244 1.00 0.00 H new ATOM 1320 N GLY A 43 2.133 16.488 -8.254 1.00 0.00 N ATOM 1321 CA GLY A 43 1.423 16.342 -9.513 1.00 0.00 C ATOM 1322 C GLY A 43 2.296 15.645 -10.558 1.00 0.00 C ATOM 1323 O GLY A 43 1.878 14.659 -11.165 1.00 0.00 O ATOM 0 H GLY A 43 2.795 15.740 -8.049 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.510 15.768 -9.355 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.123 17.323 -9.881 1.00 0.00 H new ATOM 1327 N HIS A 44 3.494 16.183 -10.736 1.00 0.00 N ATOM 1328 CA HIS A 44 4.430 15.624 -11.697 1.00 0.00 C ATOM 1329 C HIS A 44 5.430 14.721 -10.973 1.00 0.00 C ATOM 1330 O HIS A 44 5.331 14.522 -9.763 1.00 0.00 O ATOM 1331 CB HIS A 44 5.109 16.734 -12.502 1.00 0.00 C ATOM 1332 CG HIS A 44 6.157 17.499 -11.730 1.00 0.00 C ATOM 1333 ND1 HIS A 44 5.896 18.704 -11.102 1.00 0.00 N ATOM 1334 CD2 HIS A 44 7.471 17.217 -11.491 1.00 0.00 C ATOM 1335 CE1 HIS A 44 7.009 19.121 -10.516 1.00 0.00 C ATOM 1336 NE2 HIS A 44 7.984 18.199 -10.758 1.00 0.00 N ATOM 0 H HIS A 44 3.838 17.000 -10.231 1.00 0.00 H new ATOM 0 HA HIS A 44 3.893 15.008 -12.418 1.00 0.00 H new ATOM 0 HB2 HIS A 44 5.571 16.296 -13.387 1.00 0.00 H new ATOM 0 HB3 HIS A 44 4.349 17.432 -12.852 1.00 0.00 H new ATOM 0 HD1 HIS A 44 4.999 19.189 -11.092 1.00 0.00 H new ATOM 0 HD2 HIS A 44 8.003 16.344 -11.839 1.00 0.00 H new ATOM 0 HE1 HIS A 44 7.124 20.031 -9.947 1.00 0.00 H new ATOM 1344 N GLN A 45 6.371 14.196 -11.745 1.00 0.00 N ATOM 1345 CA GLN A 45 7.388 13.318 -11.192 1.00 0.00 C ATOM 1346 C GLN A 45 8.775 13.735 -11.687 1.00 0.00 C ATOM 1347 O GLN A 45 8.894 14.472 -12.664 1.00 0.00 O ATOM 1348 CB GLN A 45 7.098 11.856 -11.539 1.00 0.00 C ATOM 1349 CG GLN A 45 7.350 11.585 -13.024 1.00 0.00 C ATOM 1350 CD GLN A 45 6.251 10.697 -13.613 1.00 0.00 C ATOM 1351 OE1 GLN A 45 5.067 10.952 -13.468 1.00 0.00 O ATOM 1352 NE2 GLN A 45 6.709 9.644 -14.283 1.00 0.00 N ATOM 0 H GLN A 45 6.450 14.362 -12.748 1.00 0.00 H new ATOM 0 HA GLN A 45 7.368 13.410 -10.106 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.728 11.203 -10.934 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.063 11.618 -11.293 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.391 12.529 -13.568 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.319 11.102 -13.150 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.714 9.490 -14.366 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.056 8.990 -14.714 1.00 0.00 H new ATOM 1361 N MET A 46 9.789 13.244 -10.990 1.00 0.00 N ATOM 1362 CA MET A 46 11.162 13.556 -11.346 1.00 0.00 C ATOM 1363 C MET A 46 11.420 13.283 -12.829 1.00 0.00 C ATOM 1364 O MET A 46 12.022 14.103 -13.520 1.00 0.00 O ATOM 1365 CB MET A 46 12.116 12.711 -10.498 1.00 0.00 C ATOM 1366 CG MET A 46 12.821 13.569 -9.446 1.00 0.00 C ATOM 1367 SD MET A 46 14.084 12.612 -8.626 1.00 0.00 S ATOM 1368 CE MET A 46 15.505 13.069 -9.605 1.00 0.00 C ATOM 0 H MET A 46 9.687 12.632 -10.180 1.00 0.00 H new ATOM 0 HA MET A 46 11.334 14.615 -11.155 1.00 0.00 H new ATOM 0 HB2 MET A 46 11.561 11.911 -10.008 1.00 0.00 H new ATOM 0 HB3 MET A 46 12.857 12.237 -11.141 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.266 14.445 -9.918 1.00 0.00 H new ATOM 0 HG3 MET A 46 12.097 13.933 -8.717 1.00 0.00 H new ATOM 0 HE1 MET A 46 16.192 12.225 -9.665 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.182 13.345 -10.609 1.00 0.00 H new ATOM 0 HE3 MET A 46 16.010 13.916 -9.140 1.00 0.00 H new ATOM 1378 N LYS A 47 10.952 12.126 -13.275 1.00 0.00 N ATOM 1379 CA LYS A 47 11.123 11.735 -14.663 1.00 0.00 C ATOM 1380 C LYS A 47 10.557 12.828 -15.571 1.00 0.00 C ATOM 1381 O LYS A 47 11.081 13.070 -16.658 1.00 0.00 O ATOM 1382 CB LYS A 47 10.512 10.354 -14.910 1.00 0.00 C ATOM 1383 CG LYS A 47 10.587 9.977 -16.391 1.00 0.00 C ATOM 1384 CD LYS A 47 9.758 8.724 -16.681 1.00 0.00 C ATOM 1385 CE LYS A 47 8.338 9.094 -17.112 1.00 0.00 C ATOM 1386 NZ LYS A 47 8.013 8.472 -18.415 1.00 0.00 N ATOM 0 H LYS A 47 10.454 11.447 -12.699 1.00 0.00 H new ATOM 0 HA LYS A 47 12.182 11.638 -14.903 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.038 9.608 -14.314 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.473 10.349 -14.582 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.225 10.806 -17.000 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.625 9.804 -16.674 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.239 8.139 -17.465 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.720 8.095 -15.792 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.625 8.764 -16.357 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.245 10.177 -17.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.045 8.733 -18.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.683 8.807 -19.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.082 7.438 -18.333 1.00 0.00 H new ATOM 1399 N ASP A 48 9.496 13.460 -15.093 1.00 0.00 N ATOM 1400 CA ASP A 48 8.854 14.521 -15.848 1.00 0.00 C ATOM 1401 C ASP A 48 8.955 15.832 -15.064 1.00 0.00 C ATOM 1402 O ASP A 48 8.044 16.657 -15.107 1.00 0.00 O ATOM 1403 CB ASP A 48 7.371 14.219 -16.072 1.00 0.00 C ATOM 1404 CG ASP A 48 7.066 13.345 -17.290 1.00 0.00 C ATOM 1405 OD1 ASP A 48 7.955 13.050 -18.103 1.00 0.00 O ATOM 1406 OD2 ASP A 48 5.841 12.955 -17.389 1.00 0.00 O ATOM 0 H ASP A 48 9.065 13.257 -14.191 1.00 0.00 H new ATOM 0 HA ASP A 48 9.356 14.599 -16.812 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.978 13.727 -15.183 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.835 15.162 -16.177 1.00 0.00 H new ATOM 1412 N CYS A 49 10.072 15.982 -14.367 1.00 0.00 N ATOM 1413 CA CYS A 49 10.305 17.178 -13.576 1.00 0.00 C ATOM 1414 C CYS A 49 10.204 18.393 -14.499 1.00 0.00 C ATOM 1415 O CYS A 49 11.057 18.593 -15.363 1.00 0.00 O ATOM 1416 CB CYS A 49 11.650 17.122 -12.848 1.00 0.00 C ATOM 1417 SG CYS A 49 11.786 18.520 -11.675 1.00 0.00 S ATOM 0 H CYS A 49 10.825 15.295 -14.334 1.00 0.00 H new ATOM 0 HA CYS A 49 9.548 17.254 -12.796 1.00 0.00 H new ATOM 0 HB2 CYS A 49 11.744 16.177 -12.313 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.466 17.162 -13.570 1.00 0.00 H new ATOM 1422 N THR A 50 9.154 19.173 -14.287 1.00 0.00 N ATOM 1423 CA THR A 50 8.932 20.363 -15.089 1.00 0.00 C ATOM 1424 C THR A 50 9.825 21.508 -14.606 1.00 0.00 C ATOM 1425 O THR A 50 9.748 22.621 -15.124 1.00 0.00 O ATOM 1426 CB THR A 50 7.439 20.695 -15.040 1.00 0.00 C ATOM 1427 OG1 THR A 50 7.310 21.841 -15.876 1.00 0.00 O ATOM 1428 CG2 THR A 50 6.994 21.187 -13.661 1.00 0.00 C ATOM 0 H THR A 50 8.448 19.003 -13.571 1.00 0.00 H new ATOM 0 HA THR A 50 9.209 20.195 -16.130 1.00 0.00 H new ATOM 0 HB THR A 50 6.862 19.812 -15.314 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.181 22.280 -15.965 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.927 21.409 -13.681 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.191 20.414 -12.918 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.547 22.089 -13.401 1.00 0.00 H new ATOM 1436 N GLU A 51 10.651 21.194 -13.619 1.00 0.00 N ATOM 1437 CA GLU A 51 11.558 22.182 -13.059 1.00 0.00 C ATOM 1438 C GLU A 51 12.749 22.400 -13.995 1.00 0.00 C ATOM 1439 O GLU A 51 12.973 23.511 -14.473 1.00 0.00 O ATOM 1440 CB GLU A 51 12.026 21.769 -11.663 1.00 0.00 C ATOM 1441 CG GLU A 51 12.681 22.944 -10.933 1.00 0.00 C ATOM 1442 CD GLU A 51 11.625 23.896 -10.368 1.00 0.00 C ATOM 1443 OE1 GLU A 51 10.470 23.879 -10.820 1.00 0.00 O ATOM 1444 OE2 GLU A 51 12.039 24.671 -9.425 1.00 0.00 O ATOM 0 H GLU A 51 10.711 20.269 -13.193 1.00 0.00 H new ATOM 0 HA GLU A 51 11.020 23.125 -12.961 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.177 21.405 -11.084 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.735 20.945 -11.742 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.309 22.570 -10.124 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.333 23.485 -11.619 1.00 0.00 H new ATOM 1452 N ARG A 52 13.481 21.321 -14.229 1.00 0.00 N ATOM 1453 CA ARG A 52 14.645 21.380 -15.098 1.00 0.00 C ATOM 1454 C ARG A 52 15.255 19.986 -15.263 1.00 0.00 C ATOM 1455 O ARG A 52 15.367 19.482 -16.378 1.00 0.00 O ATOM 1456 CB ARG A 52 15.704 22.331 -14.538 1.00 0.00 C ATOM 1457 CG ARG A 52 16.546 22.937 -15.662 1.00 0.00 C ATOM 1458 CD ARG A 52 18.011 22.514 -15.540 1.00 0.00 C ATOM 1459 NE ARG A 52 18.739 22.845 -16.785 1.00 0.00 N ATOM 1460 CZ ARG A 52 19.905 22.273 -17.154 1.00 0.00 C ATOM 1461 NH1 ARG A 52 20.486 21.336 -16.375 1.00 0.00 N ATOM 1462 NH2 ARG A 52 20.469 22.645 -18.288 1.00 0.00 N ATOM 0 H ARG A 52 13.291 20.401 -13.832 1.00 0.00 H new ATOM 0 HA ARG A 52 14.316 21.753 -16.068 1.00 0.00 H new ATOM 0 HB2 ARG A 52 15.220 23.127 -13.972 1.00 0.00 H new ATOM 0 HB3 ARG A 52 16.350 21.793 -13.844 1.00 0.00 H new ATOM 0 HG2 ARG A 52 16.152 22.620 -16.628 1.00 0.00 H new ATOM 0 HG3 ARG A 52 16.474 24.024 -15.629 1.00 0.00 H new ATOM 0 HD2 ARG A 52 18.475 23.019 -14.693 1.00 0.00 H new ATOM 0 HD3 ARG A 52 18.074 21.443 -15.346 1.00 0.00 H new ATOM 0 HE ARG A 52 18.335 23.549 -17.403 1.00 0.00 H new ATOM 0 HH11 ARG A 52 20.044 21.055 -15.500 1.00 0.00 H new ATOM 0 HH12 ARG A 52 21.367 20.909 -16.662 1.00 0.00 H new ATOM 0 HH21 ARG A 52 20.024 23.354 -18.870 1.00 0.00 H new ATOM 0 HH22 ARG A 52 21.350 22.223 -18.582 1.00 0.00 H new ATOM 1475 N GLN A 53 15.635 19.405 -14.134 1.00 0.00 N ATOM 1476 CA GLN A 53 16.232 18.080 -14.139 1.00 0.00 C ATOM 1477 C GLN A 53 15.291 17.077 -14.811 1.00 0.00 C ATOM 1478 O GLN A 53 14.113 17.365 -15.013 1.00 0.00 O ATOM 1479 CB GLN A 53 16.586 17.633 -12.720 1.00 0.00 C ATOM 1480 CG GLN A 53 18.090 17.759 -12.464 1.00 0.00 C ATOM 1481 CD GLN A 53 18.490 19.220 -12.252 1.00 0.00 C ATOM 1482 OE1 GLN A 53 17.807 20.144 -12.666 1.00 0.00 O ATOM 1483 NE2 GLN A 53 19.630 19.378 -11.586 1.00 0.00 N ATOM 0 H GLN A 53 15.541 19.827 -13.210 1.00 0.00 H new ATOM 0 HA GLN A 53 17.158 18.122 -14.713 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.039 18.238 -11.997 1.00 0.00 H new ATOM 0 HB3 GLN A 53 16.274 16.599 -12.572 1.00 0.00 H new ATOM 0 HG2 GLN A 53 18.363 17.173 -11.587 1.00 0.00 H new ATOM 0 HG3 GLN A 53 18.642 17.346 -13.308 1.00 0.00 H new ATOM 0 HE21 GLN A 53 20.152 18.562 -11.268 1.00 0.00 H new ATOM 0 HE22 GLN A 53 19.982 20.316 -11.393 1.00 0.00 H new ATOM 1492 N ALA A 54 15.850 15.921 -15.139 1.00 0.00 N ATOM 1493 CA ALA A 54 15.075 14.874 -15.784 1.00 0.00 C ATOM 1494 C ALA A 54 15.944 13.624 -15.937 1.00 0.00 C ATOM 1495 O ALA A 54 16.695 13.500 -16.904 1.00 0.00 O ATOM 1496 CB ALA A 54 14.545 15.383 -17.126 1.00 0.00 C ATOM 0 H ALA A 54 16.828 15.687 -14.971 1.00 0.00 H new ATOM 0 HA ALA A 54 14.213 14.604 -15.174 1.00 0.00 H new ATOM 0 HB1 ALA A 54 13.964 14.598 -17.609 1.00 0.00 H new ATOM 0 HB2 ALA A 54 13.911 16.254 -16.960 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.382 15.661 -17.766 1.00 0.00 H new ATOM 1502 N ASN A 55 15.815 12.730 -14.969 1.00 0.00 N ATOM 1503 CA ASN A 55 16.579 11.493 -14.984 1.00 0.00 C ATOM 1504 C ASN A 55 16.519 10.879 -16.383 1.00 0.00 C ATOM 1505 O ASN A 55 15.529 11.040 -17.095 1.00 0.00 O ATOM 1506 CB ASN A 55 16.001 10.477 -13.997 1.00 0.00 C ATOM 1507 CG ASN A 55 17.115 9.780 -13.213 1.00 0.00 C ATOM 1508 OD1 ASN A 55 17.615 8.734 -13.594 1.00 0.00 O ATOM 1509 ND2 ASN A 55 17.474 10.415 -12.101 1.00 0.00 N ATOM 0 H ASN A 55 15.193 12.837 -14.168 1.00 0.00 H new ATOM 0 HA ASN A 55 17.605 11.727 -14.701 1.00 0.00 H new ATOM 0 HB2 ASN A 55 15.325 10.980 -13.306 1.00 0.00 H new ATOM 0 HB3 ASN A 55 15.412 9.735 -14.536 1.00 0.00 H new ATOM 0 HD21 ASN A 55 18.209 10.030 -11.509 1.00 0.00 H new ATOM 0 HD22 ASN A 55 17.014 11.287 -11.841 1.00 0.00 H new TER 1516 ASN A 55 HETATM 1517 ZN ZN A 56 9.107 6.744 1.298 1.00 0.00 ZN HETATM 1518 ZN ZN A 57 9.991 18.285 -10.256 1.00 0.00 ZN