USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=24 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= 1.12 K(o=1.4,f=-4.7!) USER MOD Set 1.2: B 212 G O2' : rot 29:sc= 0.3 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0372) USER MOD Single : A 2 GLN : amide:sc= -1.66 K(o=-1.7,f=-2.9!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -13! C(o=-13!,f=-19!) USER MOD Single : A 9 GLN : amide:sc= -2.89! C(o=-2.9!,f=-3.8!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (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= -0.139 K(o=-0.14,f=-5.6!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -1.87 X(o=-1.9,f=-1.9) 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= -1.09 K(o=-1.1,f=-0.34) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.0759 X(o=-0.076,f=-0.57) USER MOD Single : A 55 ASN : amide:sc= -0.0713 K(o=-0.071,f=-0.68) USER MOD Single : B 201 G O2' : rot -26:sc= 0.455 USER MOD Single : B 202 G O2' : rot -11:sc= -0.0685 USER MOD Single : B 203 A O2' : rot -2:sc= -0.483 USER MOD Single : B 204 C O2' : rot -105:sc= 1.17 USER MOD Single : B 205 U O2' : rot -10:sc= 0.532 USER MOD Single : B 206 A O2' : rot -153:sc= -1.26 USER MOD Single : B 207 G O2' : rot -53:sc= 1.2 USER MOD Single : B 208 C O2' : rot 17:sc= -0.982 USER MOD Single : B 209 G O2' : rot -43:sc= 0.88 USER MOD Single : B 210 G O2' : rot -2:sc= 0.803 USER MOD Single : B 211 A O2' : rot 180:sc= -0.0714 USER MOD Single : B 213 G O2' : rot -147:sc= -0.0541 USER MOD Single : B 214 C O2' : rot -5:sc= 0.341 USER MOD Single : B 215 U O2' : rot -132:sc= -0.125 USER MOD Single : B 216 A O2' : rot -140:sc= 0.0946 USER MOD Single : B 217 G O2' : rot -110:sc= 0.48 USER MOD Single : B 218 U O2' : rot -12:sc= 0.571 USER MOD Single : B 219 C O2' : rot -17:sc= 0.494 USER MOD Single : B 220 C O2' : rot -28:sc= 0.471 USER MOD Single : B 220 C O3' : rot 180:sc= 0.352 USER MOD ----------------------------------------------------------------- ATOM 1 P G B 201 -0.314 -16.618 -8.008 1.00 0.00 P ATOM 2 OP1 G B 201 -1.657 -16.214 -7.535 1.00 0.00 O ATOM 3 OP2 G B 201 0.434 -15.654 -8.844 1.00 0.00 O ATOM 4 O5' G B 201 0.580 -16.959 -6.725 1.00 0.00 O ATOM 5 C5' G B 201 -0.043 -17.206 -5.467 1.00 0.00 C ATOM 6 C4' G B 201 0.539 -18.448 -4.832 1.00 0.00 C ATOM 7 O4' G B 201 0.718 -19.819 -5.053 1.00 0.00 O ATOM 8 C3' G B 201 1.808 -18.206 -4.020 1.00 0.00 C ATOM 9 O3' G B 201 1.639 -17.044 -3.211 1.00 0.00 O ATOM 10 C2' G B 201 1.984 -19.441 -3.181 1.00 0.00 C ATOM 11 O2' G B 201 1.086 -19.223 -2.116 1.00 0.00 O ATOM 12 C1' G B 201 1.570 -20.521 -4.176 1.00 0.00 C ATOM 13 N9 G B 201 2.709 -21.120 -4.904 1.00 0.00 N ATOM 14 C8 G B 201 3.475 -20.535 -5.850 1.00 0.00 C ATOM 15 N7 G B 201 4.423 -21.344 -6.312 1.00 0.00 N ATOM 16 C5 G B 201 4.236 -22.505 -5.611 1.00 0.00 C ATOM 17 C6 G B 201 4.922 -23.738 -5.644 1.00 0.00 C ATOM 18 O6 G B 201 5.881 -24.000 -6.369 1.00 0.00 O ATOM 19 N1 G B 201 4.488 -24.719 -4.807 1.00 0.00 N ATOM 20 C2 G B 201 3.435 -24.458 -4.000 1.00 0.00 C ATOM 21 N2 G B 201 3.133 -25.512 -3.245 1.00 0.00 N ATOM 22 N3 G B 201 2.712 -23.329 -3.885 1.00 0.00 N ATOM 23 C4 G B 201 3.196 -22.391 -4.745 1.00 0.00 C ATOM 0 H5' G B 201 -1.118 -17.327 -5.603 1.00 0.00 H new ATOM 0 H5'' G B 201 0.100 -16.350 -4.808 1.00 0.00 H new ATOM 0 H4' G B 201 -0.548 -18.450 -4.745 1.00 0.00 H new ATOM 0 H3' G B 201 2.685 -18.032 -4.644 1.00 0.00 H new ATOM 0 H2' G B 201 2.953 -19.695 -2.751 1.00 0.00 H new ATOM 0 HO2' G B 201 0.947 -18.260 -1.997 1.00 0.00 H new ATOM 0 H1' G B 201 1.104 -21.374 -3.683 1.00 0.00 H new ATOM 0 H8 G B 201 3.333 -19.521 -6.193 1.00 0.00 H new ATOM 0 H1 G B 201 4.946 -25.630 -4.789 1.00 0.00 H new ATOM 0 H21 G B 201 2.357 -25.461 -2.585 1.00 0.00 H new ATOM 0 H22 G B 201 3.678 -26.371 -3.327 1.00 0.00 H new ATOM 35 P G B 202 2.702 -15.851 -3.291 1.00 0.00 P ATOM 36 OP1 G B 202 2.074 -14.591 -2.834 1.00 0.00 O ATOM 37 OP2 G B 202 3.349 -15.849 -4.622 1.00 0.00 O ATOM 38 O5' G B 202 3.800 -16.277 -2.209 1.00 0.00 O ATOM 39 C5' G B 202 3.415 -16.515 -0.856 1.00 0.00 C ATOM 40 C4' G B 202 4.457 -17.360 -0.160 1.00 0.00 C ATOM 41 O4' G B 202 4.599 -18.563 -0.791 1.00 0.00 O ATOM 42 C3' G B 202 5.892 -16.875 -0.347 1.00 0.00 C ATOM 43 O3' G B 202 6.185 -15.875 0.626 1.00 0.00 O ATOM 44 C2' G B 202 6.751 -18.095 -0.161 1.00 0.00 C ATOM 45 O2' G B 202 6.868 -18.181 1.241 1.00 0.00 O ATOM 46 C1' G B 202 5.875 -19.161 -0.813 1.00 0.00 C ATOM 47 N9 G B 202 6.284 -19.496 -2.193 1.00 0.00 N ATOM 48 C8 G B 202 6.114 -18.749 -3.303 1.00 0.00 C ATOM 49 N7 G B 202 6.594 -19.334 -4.395 1.00 0.00 N ATOM 50 C5 G B 202 7.095 -20.524 -3.937 1.00 0.00 C ATOM 51 C6 G B 202 7.735 -21.589 -4.606 1.00 0.00 C ATOM 52 O6 G B 202 7.970 -21.633 -5.812 1.00 0.00 O ATOM 53 N1 G B 202 8.124 -22.655 -3.856 1.00 0.00 N ATOM 54 C2 G B 202 7.877 -22.634 -2.527 1.00 0.00 C ATOM 55 N2 G B 202 8.316 -23.743 -1.936 1.00 0.00 N ATOM 56 N3 G B 202 7.281 -21.680 -1.789 1.00 0.00 N ATOM 57 C4 G B 202 6.916 -20.644 -2.595 1.00 0.00 C ATOM 0 H5' G B 202 2.449 -17.019 -0.828 1.00 0.00 H new ATOM 0 H5'' G B 202 3.295 -15.567 -0.332 1.00 0.00 H new ATOM 0 H4' G B 202 4.107 -17.356 0.872 1.00 0.00 H new ATOM 0 H3' G B 202 6.064 -16.425 -1.325 1.00 0.00 H new ATOM 0 H2' G B 202 7.756 -18.144 -0.581 1.00 0.00 H new ATOM 0 HO2' G B 202 6.532 -17.355 1.649 1.00 0.00 H new ATOM 0 H1' G B 202 5.933 -20.116 -0.290 1.00 0.00 H new ATOM 0 H8 G B 202 5.639 -17.779 -3.304 1.00 0.00 H new ATOM 0 H1 G B 202 8.592 -23.453 -4.287 1.00 0.00 H new ATOM 0 H21 G B 202 8.197 -23.866 -0.930 1.00 0.00 H new ATOM 0 H22 G B 202 8.771 -24.470 -2.489 1.00 0.00 H new ATOM 69 P A B 203 7.301 -14.768 0.325 1.00 0.00 P ATOM 70 OP1 A B 203 7.286 -13.743 1.393 1.00 0.00 O ATOM 71 OP2 A B 203 7.174 -14.300 -1.073 1.00 0.00 O ATOM 72 O5' A B 203 8.667 -15.592 0.449 1.00 0.00 O ATOM 73 C5' A B 203 9.147 -15.989 1.732 1.00 0.00 C ATOM 74 C4' A B 203 10.578 -16.464 1.627 1.00 0.00 C ATOM 75 O4' A B 203 10.330 -17.514 0.779 1.00 0.00 O ATOM 76 C3' A B 203 11.439 -15.660 0.657 1.00 0.00 C ATOM 77 O3' A B 203 12.232 -14.727 1.388 1.00 0.00 O ATOM 78 C2' A B 203 12.293 -16.676 -0.050 1.00 0.00 C ATOM 79 O2' A B 203 13.347 -16.885 0.864 1.00 0.00 O ATOM 80 C1' A B 203 11.306 -17.831 -0.187 1.00 0.00 C ATOM 81 N9 A B 203 10.709 -17.939 -1.535 1.00 0.00 N ATOM 82 C8 A B 203 9.749 -17.154 -2.071 1.00 0.00 C ATOM 83 N7 A B 203 9.427 -17.513 -3.309 1.00 0.00 N ATOM 84 C5 A B 203 10.237 -18.588 -3.561 1.00 0.00 C ATOM 85 C6 A B 203 10.372 -19.410 -4.700 1.00 0.00 C ATOM 86 N6 A B 203 9.656 -19.262 -5.845 1.00 0.00 N ATOM 87 N1 A B 203 11.284 -20.419 -4.641 1.00 0.00 N ATOM 88 C2 A B 203 12.001 -20.573 -3.505 1.00 0.00 C ATOM 89 N3 A B 203 11.956 -19.854 -2.369 1.00 0.00 N ATOM 90 C4 A B 203 11.028 -18.865 -2.492 1.00 0.00 C ATOM 0 H5' A B 203 8.520 -16.785 2.133 1.00 0.00 H new ATOM 0 H5'' A B 203 9.084 -15.152 2.428 1.00 0.00 H new ATOM 0 H4' A B 203 11.045 -16.527 2.610 1.00 0.00 H new ATOM 0 H3' A B 203 10.850 -15.083 -0.056 1.00 0.00 H new ATOM 0 H2' A B 203 12.735 -16.459 -1.022 1.00 0.00 H new ATOM 0 HO2' A B 203 13.223 -16.306 1.645 1.00 0.00 H new ATOM 0 H1' A B 203 11.785 -18.799 -0.041 1.00 0.00 H new ATOM 0 H8 A B 203 9.293 -16.325 -1.550 1.00 0.00 H new ATOM 0 H61 A B 203 9.810 -19.897 -6.628 1.00 0.00 H new ATOM 0 H62 A B 203 8.965 -18.516 -5.921 1.00 0.00 H new ATOM 0 H2 A B 203 12.710 -21.388 -3.510 1.00 0.00 H new ATOM 102 P C B 204 12.713 -13.369 0.693 1.00 0.00 P ATOM 103 OP1 C B 204 13.321 -12.478 1.706 1.00 0.00 O ATOM 104 OP2 C B 204 11.616 -12.816 -0.133 1.00 0.00 O ATOM 105 O5' C B 204 13.875 -13.860 -0.293 1.00 0.00 O ATOM 106 C5' C B 204 15.041 -14.488 0.237 1.00 0.00 C ATOM 107 C4' C B 204 15.719 -15.312 -0.835 1.00 0.00 C ATOM 108 O4' C B 204 15.089 -16.193 -1.355 1.00 0.00 O ATOM 109 C3' C B 204 16.219 -14.504 -2.028 1.00 0.00 C ATOM 110 O3' C B 204 17.496 -13.948 -1.723 1.00 0.00 O ATOM 111 C2' C B 204 16.302 -15.486 -3.164 1.00 0.00 C ATOM 112 O2' C B 204 17.654 -15.886 -3.130 1.00 0.00 O ATOM 113 C1' C B 204 15.296 -16.538 -2.706 1.00 0.00 C ATOM 114 N1 C B 204 14.028 -16.510 -3.465 1.00 0.00 N ATOM 115 C2 C B 204 13.875 -17.425 -4.505 1.00 0.00 C ATOM 116 O2 C B 204 14.799 -18.211 -4.742 1.00 0.00 O ATOM 117 N3 C B 204 12.730 -17.420 -5.211 1.00 0.00 N ATOM 118 C4 C B 204 11.755 -16.574 -4.943 1.00 0.00 C ATOM 119 N4 C B 204 10.632 -16.585 -5.651 1.00 0.00 N ATOM 120 C5 C B 204 11.887 -15.616 -3.871 1.00 0.00 C ATOM 121 C6 C B 204 13.035 -15.633 -3.176 1.00 0.00 C ATOM 0 H5' C B 204 14.770 -15.125 1.079 1.00 0.00 H new ATOM 0 H5'' C B 204 15.730 -13.733 0.617 1.00 0.00 H new ATOM 0 H4' C B 204 16.510 -15.731 -0.214 1.00 0.00 H new ATOM 0 H3' C B 204 15.564 -13.670 -2.281 1.00 0.00 H new ATOM 0 H2' C B 204 16.071 -15.183 -4.185 1.00 0.00 H new ATOM 0 HO2' C B 204 18.140 -15.458 -3.865 1.00 0.00 H new ATOM 0 H1' C B 204 15.664 -17.552 -2.860 1.00 0.00 H new ATOM 0 H41 C B 204 9.885 -15.925 -5.433 1.00 0.00 H new ATOM 0 H42 C B 204 10.516 -17.253 -6.413 1.00 0.00 H new ATOM 0 H5 C B 204 11.097 -14.917 -3.639 1.00 0.00 H new ATOM 0 H6 C B 204 13.171 -14.931 -2.367 1.00 0.00 H new ATOM 133 P U B 205 17.785 -12.402 -2.014 1.00 0.00 P ATOM 134 OP1 U B 205 18.696 -11.861 -0.981 1.00 0.00 O ATOM 135 OP2 U B 205 16.507 -11.689 -2.237 1.00 0.00 O ATOM 136 O5' U B 205 18.579 -12.439 -3.403 1.00 0.00 O ATOM 137 C5' U B 205 19.780 -13.201 -3.517 1.00 0.00 C ATOM 138 C4' U B 205 19.822 -13.906 -4.853 1.00 0.00 C ATOM 139 O4' U B 205 18.669 -14.539 -5.106 1.00 0.00 O ATOM 140 C3' U B 205 19.745 -12.975 -6.060 1.00 0.00 C ATOM 141 O3' U B 205 21.034 -12.421 -6.314 1.00 0.00 O ATOM 142 C2' U B 205 19.283 -13.841 -7.200 1.00 0.00 C ATOM 143 O2' U B 205 20.491 -14.359 -7.707 1.00 0.00 O ATOM 144 C1' U B 205 18.401 -14.841 -6.457 1.00 0.00 C ATOM 145 N1 U B 205 16.961 -14.697 -6.761 1.00 0.00 N ATOM 146 C2 U B 205 16.469 -15.502 -7.742 1.00 0.00 C ATOM 147 O2 U B 205 17.146 -16.310 -8.360 1.00 0.00 O ATOM 148 N3 U B 205 15.128 -15.370 -8.027 1.00 0.00 N ATOM 149 C4 U B 205 14.298 -14.489 -7.382 1.00 0.00 C ATOM 150 O4 U B 205 13.116 -14.456 -7.720 1.00 0.00 O ATOM 151 C5 U B 205 14.864 -13.671 -6.367 1.00 0.00 C ATOM 152 C6 U B 205 16.165 -13.817 -6.107 1.00 0.00 C ATOM 0 H5' U B 205 19.835 -13.931 -2.710 1.00 0.00 H new ATOM 0 H5'' U B 205 20.646 -12.547 -3.415 1.00 0.00 H new ATOM 0 H4' U B 205 20.735 -14.493 -4.760 1.00 0.00 H new ATOM 0 H3' U B 205 19.065 -12.137 -5.907 1.00 0.00 H new ATOM 0 H2' U B 205 18.728 -13.418 -8.037 1.00 0.00 H new ATOM 0 HO2' U B 205 21.247 -13.891 -7.294 1.00 0.00 H new ATOM 0 H1' U B 205 18.620 -15.871 -6.740 1.00 0.00 H new ATOM 0 H3 U B 205 14.730 -15.960 -8.758 1.00 0.00 H new ATOM 0 H5 U B 205 14.262 -12.956 -5.825 1.00 0.00 H new ATOM 0 H6 U B 205 16.606 -13.202 -5.336 1.00 0.00 H new ATOM 163 P A B 206 21.231 -10.833 -6.342 1.00 0.00 P ATOM 164 OP1 A B 206 22.675 -10.510 -6.334 1.00 0.00 O ATOM 165 OP2 A B 206 20.385 -10.208 -5.301 1.00 0.00 O ATOM 166 O5' A B 206 20.640 -10.422 -7.771 1.00 0.00 O ATOM 167 C5' A B 206 21.081 -11.099 -8.946 1.00 0.00 C ATOM 168 C4' A B 206 20.028 -11.002 -10.028 1.00 0.00 C ATOM 169 O4' A B 206 18.919 -11.688 -10.041 1.00 0.00 O ATOM 170 C3' A B 206 19.398 -9.619 -10.171 1.00 0.00 C ATOM 171 O3' A B 206 20.378 -8.699 -10.649 1.00 0.00 O ATOM 172 C2' A B 206 18.278 -9.795 -11.159 1.00 0.00 C ATOM 173 O2' A B 206 18.916 -9.566 -12.395 1.00 0.00 O ATOM 174 C1' A B 206 17.880 -11.242 -10.884 1.00 0.00 C ATOM 175 N9 A B 206 16.564 -11.378 -10.226 1.00 0.00 N ATOM 176 C8 A B 206 16.281 -11.215 -8.917 1.00 0.00 C ATOM 177 N7 A B 206 14.995 -11.407 -8.643 1.00 0.00 N ATOM 178 C5 A B 206 14.441 -11.709 -9.858 1.00 0.00 C ATOM 179 C6 A B 206 13.115 -12.015 -10.231 1.00 0.00 C ATOM 180 N6 A B 206 12.067 -12.067 -9.369 1.00 0.00 N ATOM 181 N1 A B 206 12.878 -12.275 -11.546 1.00 0.00 N ATOM 182 C2 A B 206 13.917 -12.225 -12.410 1.00 0.00 C ATOM 183 N3 A B 206 15.212 -11.946 -12.167 1.00 0.00 N ATOM 184 C4 A B 206 15.380 -11.697 -10.839 1.00 0.00 C ATOM 0 H5' A B 206 21.284 -12.145 -8.718 1.00 0.00 H new ATOM 0 H5'' A B 206 22.016 -10.662 -9.297 1.00 0.00 H new ATOM 0 H4' A B 206 20.721 -11.388 -10.775 1.00 0.00 H new ATOM 0 H3' A B 206 19.025 -9.222 -9.227 1.00 0.00 H new ATOM 0 H2' A B 206 17.392 -9.162 -11.122 1.00 0.00 H new ATOM 0 HO2' A B 206 18.262 -9.233 -13.044 1.00 0.00 H new ATOM 0 H1' A B 206 17.766 -11.817 -11.803 1.00 0.00 H new ATOM 0 H8 A B 206 17.020 -10.957 -8.173 1.00 0.00 H new ATOM 0 H61 A B 206 11.134 -12.296 -9.713 1.00 0.00 H new ATOM 0 H62 A B 206 12.212 -11.877 -8.377 1.00 0.00 H new ATOM 0 H2 A B 206 13.674 -12.439 -13.440 1.00 0.00 H new ATOM 196 P G B 207 20.446 -7.219 -10.046 1.00 0.00 P ATOM 197 OP1 G B 207 21.854 -6.769 -9.987 1.00 0.00 O ATOM 198 OP2 G B 207 19.655 -7.153 -8.797 1.00 0.00 O ATOM 199 O5' G B 207 19.693 -6.344 -11.154 1.00 0.00 O ATOM 200 C5' G B 207 19.691 -6.767 -12.516 1.00 0.00 C ATOM 201 C4' G B 207 18.273 -6.834 -13.038 1.00 0.00 C ATOM 202 O4' G B 207 17.411 -7.704 -12.636 1.00 0.00 O ATOM 203 C3' G B 207 17.438 -5.589 -12.757 1.00 0.00 C ATOM 204 O3' G B 207 17.943 -4.497 -13.525 1.00 0.00 O ATOM 205 C2' G B 207 16.037 -5.949 -13.165 1.00 0.00 C ATOM 206 O2' G B 207 15.988 -5.528 -14.511 1.00 0.00 O ATOM 207 C1' G B 207 16.059 -7.459 -12.951 1.00 0.00 C ATOM 208 N9 G B 207 15.166 -7.912 -11.863 1.00 0.00 N ATOM 209 C8 G B 207 15.422 -7.908 -10.538 1.00 0.00 C ATOM 210 N7 G B 207 14.411 -8.382 -9.819 1.00 0.00 N ATOM 211 C5 G B 207 13.464 -8.705 -10.755 1.00 0.00 C ATOM 212 C6 G B 207 12.171 -9.252 -10.626 1.00 0.00 C ATOM 213 O6 G B 207 11.628 -9.557 -9.565 1.00 0.00 O ATOM 214 N1 G B 207 11.462 -9.459 -11.769 1.00 0.00 N ATOM 215 C2 G B 207 12.032 -9.132 -12.950 1.00 0.00 C ATOM 216 N2 G B 207 11.217 -9.392 -13.970 1.00 0.00 N ATOM 217 N3 G B 207 13.249 -8.608 -13.189 1.00 0.00 N ATOM 218 C4 G B 207 13.905 -8.426 -12.010 1.00 0.00 C ATOM 0 H5' G B 207 20.165 -7.745 -12.602 1.00 0.00 H new ATOM 0 H5'' G B 207 20.277 -6.075 -13.121 1.00 0.00 H new ATOM 0 H4' G B 207 18.609 -7.057 -14.051 1.00 0.00 H new ATOM 0 H3' G B 207 17.471 -5.283 -11.711 1.00 0.00 H new ATOM 0 H2' G B 207 15.175 -5.522 -12.653 1.00 0.00 H new ATOM 0 HO2' G B 207 16.269 -4.591 -14.571 1.00 0.00 H new ATOM 0 H1' G B 207 15.696 -8.002 -13.824 1.00 0.00 H new ATOM 0 H8 G B 207 16.349 -7.557 -10.109 1.00 0.00 H new ATOM 0 H1 G B 207 10.521 -9.852 -11.735 1.00 0.00 H new ATOM 0 H21 G B 207 11.516 -9.195 -14.925 1.00 0.00 H new ATOM 0 H22 G B 207 10.293 -9.789 -13.796 1.00 0.00 H new ATOM 230 P C B 208 18.495 -3.188 -12.788 1.00 0.00 P ATOM 231 OP1 C B 208 19.815 -2.822 -13.345 1.00 0.00 O ATOM 232 OP2 C B 208 18.397 -3.364 -11.321 1.00 0.00 O ATOM 233 O5' C B 208 17.445 -2.062 -13.221 1.00 0.00 O ATOM 234 C5' C B 208 17.394 -1.618 -14.575 1.00 0.00 C ATOM 235 C4' C B 208 15.990 -1.765 -15.119 1.00 0.00 C ATOM 236 O4' C B 208 15.556 -2.840 -14.461 1.00 0.00 O ATOM 237 C3' C B 208 14.977 -0.796 -14.517 1.00 0.00 C ATOM 238 O3' C B 208 14.908 0.379 -15.323 1.00 0.00 O ATOM 239 C2' C B 208 13.671 -1.540 -14.513 1.00 0.00 C ATOM 240 O2' C B 208 13.145 -1.251 -15.789 1.00 0.00 O ATOM 241 C1' C B 208 14.160 -2.971 -14.314 1.00 0.00 C ATOM 242 N1 C B 208 13.812 -3.534 -12.992 1.00 0.00 N ATOM 243 C2 C B 208 12.658 -4.310 -12.901 1.00 0.00 C ATOM 244 O2 C B 208 11.984 -4.491 -13.921 1.00 0.00 O ATOM 245 N3 C B 208 12.322 -4.833 -11.708 1.00 0.00 N ATOM 246 C4 C B 208 13.053 -4.632 -10.630 1.00 0.00 C ATOM 247 N4 C B 208 12.704 -5.156 -9.463 1.00 0.00 N ATOM 248 C5 C B 208 14.253 -3.830 -10.698 1.00 0.00 C ATOM 249 C6 C B 208 14.575 -3.316 -11.893 1.00 0.00 C ATOM 0 H5' C B 208 18.090 -2.197 -15.182 1.00 0.00 H new ATOM 0 H5'' C B 208 17.709 -0.576 -14.636 1.00 0.00 H new ATOM 0 H4' C B 208 16.044 -1.700 -16.206 1.00 0.00 H new ATOM 0 H3' C B 208 15.243 -0.474 -13.510 1.00 0.00 H new ATOM 0 H2' C B 208 12.899 -1.315 -13.778 1.00 0.00 H new ATOM 0 HO2' C B 208 13.859 -0.912 -16.368 1.00 0.00 H new ATOM 0 H1' C B 208 13.697 -3.664 -15.017 1.00 0.00 H new ATOM 0 H41 C B 208 13.280 -4.992 -8.637 1.00 0.00 H new ATOM 0 H42 C B 208 11.860 -5.723 -9.391 1.00 0.00 H new ATOM 0 H5 C B 208 14.863 -3.653 -9.825 1.00 0.00 H new ATOM 0 H6 C B 208 15.466 -2.712 -11.983 1.00 0.00 H new ATOM 261 P G B 209 14.977 1.823 -14.641 1.00 0.00 P ATOM 262 OP1 G B 209 16.142 2.569 -15.168 1.00 0.00 O ATOM 263 OP2 G B 209 14.863 1.686 -13.172 1.00 0.00 O ATOM 264 O5' G B 209 13.649 2.538 -15.175 1.00 0.00 O ATOM 265 C5' G B 209 12.613 1.762 -15.773 1.00 0.00 C ATOM 266 C4' G B 209 11.647 1.281 -14.714 1.00 0.00 C ATOM 267 O4' G B 209 11.215 0.133 -14.077 1.00 0.00 O ATOM 268 C3' G B 209 11.124 2.381 -13.792 1.00 0.00 C ATOM 269 O3' G B 209 10.703 3.496 -14.575 1.00 0.00 O ATOM 270 C2' G B 209 9.973 1.761 -13.049 1.00 0.00 C ATOM 271 O2' G B 209 8.898 1.933 -13.945 1.00 0.00 O ATOM 272 C1' G B 209 10.474 0.328 -12.893 1.00 0.00 C ATOM 273 N9 G B 209 11.316 0.124 -11.696 1.00 0.00 N ATOM 274 C8 G B 209 12.509 0.697 -11.427 1.00 0.00 C ATOM 275 N7 G B 209 13.013 0.305 -10.261 1.00 0.00 N ATOM 276 C5 G B 209 12.077 -0.566 -9.773 1.00 0.00 C ATOM 277 C6 G B 209 12.029 -1.315 -8.578 1.00 0.00 C ATOM 278 O6 G B 209 12.891 -1.313 -7.701 1.00 0.00 O ATOM 279 N1 G B 209 10.938 -2.106 -8.378 1.00 0.00 N ATOM 280 C2 G B 209 9.975 -2.128 -9.326 1.00 0.00 C ATOM 281 N2 G B 209 8.981 -2.945 -8.986 1.00 0.00 N ATOM 282 N3 G B 209 9.917 -1.461 -10.493 1.00 0.00 N ATOM 283 C4 G B 209 11.032 -0.691 -10.633 1.00 0.00 C ATOM 0 H5' G B 209 13.044 0.909 -16.298 1.00 0.00 H new ATOM 0 H5'' G B 209 12.083 2.359 -16.515 1.00 0.00 H new ATOM 0 H4' G B 209 11.689 0.741 -15.660 1.00 0.00 H new ATOM 0 H3' G B 209 11.880 2.750 -13.099 1.00 0.00 H new ATOM 0 H2' G B 209 9.660 2.144 -12.078 1.00 0.00 H new ATOM 0 HO2' G B 209 8.936 2.832 -14.333 1.00 0.00 H new ATOM 0 H1' G B 209 9.656 -0.379 -12.753 1.00 0.00 H new ATOM 0 H8 G B 209 13.000 1.397 -12.087 1.00 0.00 H new ATOM 0 H1 G B 209 10.850 -2.669 -7.532 1.00 0.00 H new ATOM 0 H21 G B 209 8.182 -3.062 -9.609 1.00 0.00 H new ATOM 0 H22 G B 209 9.019 -3.454 -8.103 1.00 0.00 H new ATOM 295 P G B 210 10.947 4.984 -14.043 1.00 0.00 P ATOM 296 OP1 G B 210 10.165 5.940 -14.859 1.00 0.00 O ATOM 297 OP2 G B 210 12.401 5.232 -13.908 1.00 0.00 O ATOM 298 O5' G B 210 10.313 4.951 -12.574 1.00 0.00 O ATOM 299 C5' G B 210 10.018 6.171 -11.898 1.00 0.00 C ATOM 300 C4' G B 210 8.673 6.075 -11.216 1.00 0.00 C ATOM 301 O4' G B 210 8.365 6.474 -10.197 1.00 0.00 O ATOM 302 C3' G B 210 7.484 6.391 -12.119 1.00 0.00 C ATOM 303 O3' G B 210 6.639 5.246 -12.211 1.00 0.00 O ATOM 304 C2' G B 210 6.781 7.545 -11.460 1.00 0.00 C ATOM 305 O2' G B 210 5.441 7.104 -11.412 1.00 0.00 O ATOM 306 C1' G B 210 7.504 7.588 -10.117 1.00 0.00 C ATOM 307 N9 G B 210 8.265 8.836 -9.899 1.00 0.00 N ATOM 308 C8 G B 210 9.353 9.262 -10.574 1.00 0.00 C ATOM 309 N7 G B 210 9.805 10.431 -10.133 1.00 0.00 N ATOM 310 C5 G B 210 8.945 10.755 -9.118 1.00 0.00 C ATOM 311 C6 G B 210 8.892 11.873 -8.258 1.00 0.00 C ATOM 312 O6 G B 210 9.674 12.823 -8.275 1.00 0.00 O ATOM 313 N1 G B 210 7.895 11.904 -7.333 1.00 0.00 N ATOM 314 C2 G B 210 7.020 10.873 -7.291 1.00 0.00 C ATOM 315 N2 G B 210 6.109 11.051 -6.337 1.00 0.00 N ATOM 316 N3 G B 210 6.977 9.767 -8.056 1.00 0.00 N ATOM 317 C4 G B 210 7.996 9.796 -8.957 1.00 0.00 C ATOM 0 H5' G B 210 10.016 6.998 -12.608 1.00 0.00 H new ATOM 0 H5'' G B 210 10.793 6.385 -11.162 1.00 0.00 H new ATOM 0 H4' G B 210 8.938 5.046 -10.973 1.00 0.00 H new ATOM 0 H3' G B 210 7.780 6.646 -13.136 1.00 0.00 H new ATOM 0 H2' G B 210 6.788 8.538 -11.909 1.00 0.00 H new ATOM 0 HO2' G B 210 5.371 6.223 -11.836 1.00 0.00 H new ATOM 0 H1' G B 210 6.810 7.560 -9.277 1.00 0.00 H new ATOM 0 H8 G B 210 9.807 8.712 -11.385 1.00 0.00 H new ATOM 0 H1 G B 210 7.809 12.687 -6.685 1.00 0.00 H new ATOM 0 H21 G B 210 5.382 10.351 -6.189 1.00 0.00 H new ATOM 0 H22 G B 210 6.138 11.888 -5.754 1.00 0.00 H new ATOM 329 P A B 211 6.759 4.263 -13.467 1.00 0.00 P ATOM 330 OP1 A B 211 8.127 4.332 -14.027 1.00 0.00 O ATOM 331 OP2 A B 211 5.629 4.499 -14.394 1.00 0.00 O ATOM 332 O5' A B 211 6.566 2.816 -12.812 1.00 0.00 O ATOM 333 C5' A B 211 7.306 2.457 -11.647 1.00 0.00 C ATOM 334 C4' A B 211 6.380 2.351 -10.456 1.00 0.00 C ATOM 335 O4' A B 211 6.167 2.768 -9.131 1.00 0.00 O ATOM 336 C3' A B 211 5.029 1.708 -10.761 1.00 0.00 C ATOM 337 O3' A B 211 5.079 0.321 -10.431 1.00 0.00 O ATOM 338 C2' A B 211 4.036 2.445 -9.906 1.00 0.00 C ATOM 339 O2' A B 211 2.974 1.523 -9.801 1.00 0.00 O ATOM 340 C1' A B 211 4.854 2.650 -8.634 1.00 0.00 C ATOM 341 N9 A B 211 4.462 3.852 -7.869 1.00 0.00 N ATOM 342 C8 A B 211 4.637 5.142 -8.225 1.00 0.00 C ATOM 343 N7 A B 211 4.173 5.992 -7.314 1.00 0.00 N ATOM 344 C5 A B 211 3.678 5.181 -6.329 1.00 0.00 C ATOM 345 C6 A B 211 3.055 5.478 -5.098 1.00 0.00 C ATOM 346 N6 A B 211 2.818 6.734 -4.640 1.00 0.00 N ATOM 347 N1 A B 211 2.668 4.428 -4.323 1.00 0.00 N ATOM 348 C2 A B 211 2.900 3.174 -4.772 1.00 0.00 C ATOM 349 N3 A B 211 3.482 2.777 -5.919 1.00 0.00 N ATOM 350 C4 A B 211 3.844 3.870 -6.647 1.00 0.00 C ATOM 0 H5' A B 211 8.077 3.202 -11.453 1.00 0.00 H new ATOM 0 H5'' A B 211 7.814 1.506 -11.808 1.00 0.00 H new ATOM 0 H4' A B 211 7.455 2.489 -10.343 1.00 0.00 H new ATOM 0 H3' A B 211 4.756 1.772 -11.814 1.00 0.00 H new ATOM 0 H2' A B 211 3.617 3.399 -10.226 1.00 0.00 H new ATOM 0 HO2' A B 211 2.259 1.908 -9.252 1.00 0.00 H new ATOM 0 H1' A B 211 4.715 1.837 -7.921 1.00 0.00 H new ATOM 0 H8 A B 211 5.103 5.450 -9.149 1.00 0.00 H new ATOM 0 H61 A B 211 2.362 6.870 -3.738 1.00 0.00 H new ATOM 0 H62 A B 211 3.096 7.541 -5.198 1.00 0.00 H new ATOM 0 H2 A B 211 2.572 2.379 -4.119 1.00 0.00 H new ATOM 362 P G B 212 4.390 -0.755 -11.393 1.00 0.00 P ATOM 363 OP1 G B 212 5.326 -1.875 -11.639 1.00 0.00 O ATOM 364 OP2 G B 212 3.817 -0.072 -12.576 1.00 0.00 O ATOM 365 O5' G B 212 3.178 -1.307 -10.507 1.00 0.00 O ATOM 366 C5' G B 212 3.367 -1.550 -9.114 1.00 0.00 C ATOM 367 C4' G B 212 4.445 -2.590 -8.909 1.00 0.00 C ATOM 368 O4' G B 212 5.343 -2.035 -8.707 1.00 0.00 O ATOM 369 C3' G B 212 4.203 -3.524 -7.726 1.00 0.00 C ATOM 370 O3' G B 212 4.330 -4.877 -8.157 1.00 0.00 O ATOM 371 C2' G B 212 5.256 -3.165 -6.715 1.00 0.00 C ATOM 372 O2' G B 212 5.891 -4.401 -6.476 1.00 0.00 O ATOM 373 C1' G B 212 6.075 -2.149 -7.507 1.00 0.00 C ATOM 374 N9 G B 212 6.202 -0.840 -6.832 1.00 0.00 N ATOM 375 C8 G B 212 5.209 0.009 -6.495 1.00 0.00 C ATOM 376 N7 G B 212 5.654 1.107 -5.896 1.00 0.00 N ATOM 377 C5 G B 212 7.012 0.934 -5.857 1.00 0.00 C ATOM 378 C6 G B 212 8.045 1.749 -5.347 1.00 0.00 C ATOM 379 O6 G B 212 7.888 2.843 -4.808 1.00 0.00 O ATOM 380 N1 G B 212 9.320 1.288 -5.461 1.00 0.00 N ATOM 381 C2 G B 212 9.522 0.088 -6.051 1.00 0.00 C ATOM 382 N2 G B 212 10.817 -0.220 -6.086 1.00 0.00 N ATOM 383 N3 G B 212 8.620 -0.767 -6.568 1.00 0.00 N ATOM 384 C4 G B 212 7.369 -0.249 -6.423 1.00 0.00 C ATOM 0 H5' G B 212 2.433 -1.890 -8.666 1.00 0.00 H new ATOM 0 H5'' G B 212 3.644 -0.624 -8.610 1.00 0.00 H new ATOM 0 H4' G B 212 4.484 -3.224 -9.795 1.00 0.00 H new ATOM 0 H3' G B 212 3.205 -3.420 -7.300 1.00 0.00 H new ATOM 0 H2' G B 212 4.985 -2.740 -5.749 1.00 0.00 H new ATOM 0 HO2' G B 212 5.824 -4.963 -7.276 1.00 0.00 H new ATOM 0 H1' G B 212 7.108 -2.470 -7.640 1.00 0.00 H new ATOM 0 H8 G B 212 4.165 -0.184 -6.691 1.00 0.00 H new ATOM 0 H1 G B 212 10.106 1.835 -5.109 1.00 0.00 H new ATOM 0 H21 G B 212 11.121 -1.099 -6.504 1.00 0.00 H new ATOM 0 H22 G B 212 11.505 0.424 -5.695 1.00 0.00 H new ATOM 396 P G B 213 3.380 -6.006 -7.538 1.00 0.00 P ATOM 397 OP1 G B 213 2.408 -5.386 -6.611 1.00 0.00 O ATOM 398 OP2 G B 213 4.204 -7.120 -7.018 1.00 0.00 O ATOM 399 O5' G B 213 2.577 -6.540 -8.814 1.00 0.00 O ATOM 400 C5' G B 213 2.020 -5.613 -9.745 1.00 0.00 C ATOM 401 C4' G B 213 2.614 -5.835 -11.118 1.00 0.00 C ATOM 402 O4' G B 213 3.510 -5.129 -11.623 1.00 0.00 O ATOM 403 C3' G B 213 3.034 -7.275 -11.397 1.00 0.00 C ATOM 404 O3' G B 213 1.906 -8.019 -11.851 1.00 0.00 O ATOM 405 C2' G B 213 4.095 -7.180 -12.459 1.00 0.00 C ATOM 406 O2' G B 213 3.359 -7.350 -13.649 1.00 0.00 O ATOM 407 C1' G B 213 4.622 -5.769 -12.208 1.00 0.00 C ATOM 408 N9 G B 213 5.795 -5.730 -11.310 1.00 0.00 N ATOM 409 C8 G B 213 5.847 -6.100 -10.014 1.00 0.00 C ATOM 410 N7 G B 213 7.057 -5.941 -9.484 1.00 0.00 N ATOM 411 C5 G B 213 7.804 -5.439 -10.515 1.00 0.00 C ATOM 412 C6 G B 213 9.161 -5.063 -10.589 1.00 0.00 C ATOM 413 O6 G B 213 9.970 -5.126 -9.664 1.00 0.00 O ATOM 414 N1 G B 213 9.617 -4.590 -11.781 1.00 0.00 N ATOM 415 C2 G B 213 8.750 -4.509 -12.817 1.00 0.00 C ATOM 416 N2 G B 213 9.344 -4.030 -13.907 1.00 0.00 N ATOM 417 N3 G B 213 7.446 -4.837 -12.860 1.00 0.00 N ATOM 418 C4 G B 213 7.054 -5.302 -11.641 1.00 0.00 C ATOM 0 H5' G B 213 2.217 -4.593 -9.416 1.00 0.00 H new ATOM 0 H5'' G B 213 0.937 -5.732 -9.785 1.00 0.00 H new ATOM 0 H4' G B 213 1.703 -5.485 -11.603 1.00 0.00 H new ATOM 0 H3' G B 213 3.414 -7.785 -10.512 1.00 0.00 H new ATOM 0 H2' G B 213 4.930 -7.880 -12.484 1.00 0.00 H new ATOM 0 HO2' G B 213 3.911 -7.817 -14.311 1.00 0.00 H new ATOM 0 H1' G B 213 4.984 -5.297 -13.121 1.00 0.00 H new ATOM 0 H8 G B 213 4.999 -6.484 -9.466 1.00 0.00 H new ATOM 0 H1 G B 213 10.590 -4.303 -11.891 1.00 0.00 H new ATOM 0 H21 G B 213 8.811 -3.913 -14.769 1.00 0.00 H new ATOM 0 H22 G B 213 10.332 -3.779 -13.881 1.00 0.00 H new ATOM 430 P C B 214 1.815 -9.591 -11.563 1.00 0.00 P ATOM 431 OP1 C B 214 0.438 -10.066 -11.820 1.00 0.00 O ATOM 432 OP2 C B 214 2.406 -9.889 -10.240 1.00 0.00 O ATOM 433 O5' C B 214 2.771 -10.217 -12.684 1.00 0.00 O ATOM 434 C5' C B 214 2.454 -10.051 -14.065 1.00 0.00 C ATOM 435 C4' C B 214 3.699 -10.219 -14.907 1.00 0.00 C ATOM 436 O4' C B 214 4.680 -9.326 -14.449 1.00 0.00 O ATOM 437 C3' C B 214 4.496 -11.486 -14.609 1.00 0.00 C ATOM 438 O3' C B 214 3.958 -12.572 -15.359 1.00 0.00 O ATOM 439 C2' C B 214 5.907 -11.174 -15.023 1.00 0.00 C ATOM 440 O2' C B 214 5.867 -11.356 -16.421 1.00 0.00 O ATOM 441 C1' C B 214 6.028 -9.726 -14.555 1.00 0.00 C ATOM 442 N1 C B 214 6.731 -9.581 -13.263 1.00 0.00 N ATOM 443 C2 C B 214 8.064 -9.173 -13.295 1.00 0.00 C ATOM 444 O2 C B 214 8.591 -8.953 -14.390 1.00 0.00 O ATOM 445 N3 C B 214 8.726 -9.035 -12.131 1.00 0.00 N ATOM 446 C4 C B 214 8.148 -9.272 -10.971 1.00 0.00 C ATOM 447 N4 C B 214 8.819 -9.130 -9.835 1.00 0.00 N ATOM 448 C5 C B 214 6.768 -9.696 -10.912 1.00 0.00 C ATOM 449 C6 C B 214 6.122 -9.831 -12.079 1.00 0.00 C ATOM 0 H5' C B 214 2.023 -9.064 -14.231 1.00 0.00 H new ATOM 0 H5'' C B 214 1.702 -10.781 -14.364 1.00 0.00 H new ATOM 0 H4' C B 214 3.323 -10.141 -15.927 1.00 0.00 H new ATOM 0 H3' C B 214 4.455 -11.776 -13.559 1.00 0.00 H new ATOM 0 H2' C B 214 6.746 -11.752 -14.636 1.00 0.00 H new ATOM 0 HO2' C B 214 4.989 -11.706 -16.680 1.00 0.00 H new ATOM 0 H1' C B 214 6.624 -9.122 -15.240 1.00 0.00 H new ATOM 0 H41 C B 214 8.359 -9.317 -8.944 1.00 0.00 H new ATOM 0 H42 C B 214 9.795 -8.834 -9.853 1.00 0.00 H new ATOM 0 H5 C B 214 6.279 -9.895 -9.970 1.00 0.00 H new ATOM 0 H6 C B 214 5.089 -10.147 -12.075 1.00 0.00 H new ATOM 461 P U B 215 3.812 -14.016 -14.684 1.00 0.00 P ATOM 462 OP1 U B 215 2.677 -14.740 -15.298 1.00 0.00 O ATOM 463 OP2 U B 215 3.818 -13.880 -13.210 1.00 0.00 O ATOM 464 O5' U B 215 5.163 -14.754 -15.118 1.00 0.00 O ATOM 465 C5' U B 215 5.596 -14.710 -16.476 1.00 0.00 C ATOM 466 C4' U B 215 7.105 -14.660 -16.539 1.00 0.00 C ATOM 467 O4' U B 215 7.547 -13.772 -15.900 1.00 0.00 O ATOM 468 C3' U B 215 7.802 -15.870 -15.924 1.00 0.00 C ATOM 469 O3' U B 215 7.954 -16.884 -16.915 1.00 0.00 O ATOM 470 C2' U B 215 9.134 -15.361 -15.446 1.00 0.00 C ATOM 471 O2' U B 215 10.016 -15.814 -16.448 1.00 0.00 O ATOM 472 C1' U B 215 8.874 -13.857 -15.430 1.00 0.00 C ATOM 473 N1 U B 215 9.006 -13.251 -14.089 1.00 0.00 N ATOM 474 C2 U B 215 10.237 -12.768 -13.765 1.00 0.00 C ATOM 475 O2 U B 215 11.202 -12.815 -14.511 1.00 0.00 O ATOM 476 N3 U B 215 10.362 -12.202 -12.515 1.00 0.00 N ATOM 477 C4 U B 215 9.330 -12.109 -11.617 1.00 0.00 C ATOM 478 O4 U B 215 9.556 -11.582 -10.529 1.00 0.00 O ATOM 479 C5 U B 215 8.067 -12.627 -12.007 1.00 0.00 C ATOM 480 C6 U B 215 7.967 -13.172 -13.221 1.00 0.00 C ATOM 0 H5' U B 215 5.174 -13.836 -16.972 1.00 0.00 H new ATOM 0 H5'' U B 215 5.231 -15.587 -17.011 1.00 0.00 H new ATOM 0 H4' U B 215 7.287 -14.580 -17.611 1.00 0.00 H new ATOM 0 H3' U B 215 7.238 -16.313 -15.103 1.00 0.00 H new ATOM 0 H2' U B 215 9.541 -15.669 -14.483 1.00 0.00 H new ATOM 0 HO2' U B 215 10.791 -16.246 -16.031 1.00 0.00 H new ATOM 0 H1' U B 215 9.600 -13.309 -16.031 1.00 0.00 H new ATOM 0 H3 U B 215 11.273 -11.832 -12.243 1.00 0.00 H new ATOM 0 H5 U B 215 7.216 -12.582 -11.344 1.00 0.00 H new ATOM 0 H6 U B 215 7.011 -13.570 -13.528 1.00 0.00 H new ATOM 491 P A B 216 7.576 -18.400 -16.573 1.00 0.00 P ATOM 492 OP1 A B 216 6.787 -18.980 -17.682 1.00 0.00 O ATOM 493 OP2 A B 216 6.998 -18.475 -15.213 1.00 0.00 O ATOM 494 O5' A B 216 9.000 -19.130 -16.545 1.00 0.00 O ATOM 495 C5' A B 216 10.070 -18.634 -17.347 1.00 0.00 C ATOM 496 C4' A B 216 11.352 -18.609 -16.547 1.00 0.00 C ATOM 497 O4' A B 216 11.088 -17.749 -15.492 1.00 0.00 O ATOM 498 C3' A B 216 11.541 -19.810 -15.623 1.00 0.00 C ATOM 499 O3' A B 216 12.140 -20.879 -16.351 1.00 0.00 O ATOM 500 C2' A B 216 12.439 -19.323 -14.519 1.00 0.00 C ATOM 501 O2' A B 216 13.727 -19.605 -15.020 1.00 0.00 O ATOM 502 C1' A B 216 12.062 -17.845 -14.476 1.00 0.00 C ATOM 503 N9 A B 216 11.517 -17.413 -13.173 1.00 0.00 N ATOM 504 C8 A B 216 10.241 -17.510 -12.744 1.00 0.00 C ATOM 505 N7 A B 216 10.074 -17.029 -11.516 1.00 0.00 N ATOM 506 C5 A B 216 11.324 -16.605 -11.156 1.00 0.00 C ATOM 507 C6 A B 216 11.803 -16.002 -9.974 1.00 0.00 C ATOM 508 N6 A B 216 11.033 -15.713 -8.892 1.00 0.00 N ATOM 509 N1 A B 216 13.127 -15.691 -9.921 1.00 0.00 N ATOM 510 C2 A B 216 13.900 -15.976 -10.993 1.00 0.00 C ATOM 511 N3 A B 216 13.554 -16.544 -12.163 1.00 0.00 N ATOM 512 C4 A B 216 12.221 -16.830 -12.152 1.00 0.00 C ATOM 0 H5' A B 216 9.834 -17.631 -17.701 1.00 0.00 H new ATOM 0 H5'' A B 216 10.195 -19.262 -18.229 1.00 0.00 H new ATOM 0 H4' A B 216 12.148 -18.450 -17.275 1.00 0.00 H new ATOM 0 H3' A B 216 10.601 -20.189 -15.221 1.00 0.00 H new ATOM 0 H2' A B 216 12.374 -19.744 -13.516 1.00 0.00 H new ATOM 0 HO2' A B 216 14.295 -19.937 -14.294 1.00 0.00 H new ATOM 0 H1' A B 216 12.927 -17.197 -14.619 1.00 0.00 H new ATOM 0 H8 A B 216 9.442 -17.933 -13.335 1.00 0.00 H new ATOM 0 H61 A B 216 11.451 -15.276 -8.071 1.00 0.00 H new ATOM 0 H62 A B 216 10.037 -15.934 -8.901 1.00 0.00 H new ATOM 0 H2 A B 216 14.942 -15.710 -10.897 1.00 0.00 H new ATOM 524 P G B 217 11.606 -22.375 -16.160 1.00 0.00 P ATOM 525 OP1 G B 217 11.655 -23.091 -17.454 1.00 0.00 O ATOM 526 OP2 G B 217 10.314 -22.354 -15.439 1.00 0.00 O ATOM 527 O5' G B 217 12.702 -23.026 -15.192 1.00 0.00 O ATOM 528 C5' G B 217 14.058 -22.592 -15.256 1.00 0.00 C ATOM 529 C4' G B 217 14.577 -22.303 -13.866 1.00 0.00 C ATOM 530 O4' G B 217 14.034 -21.200 -13.197 1.00 0.00 O ATOM 531 C3' G B 217 14.105 -23.286 -12.799 1.00 0.00 C ATOM 532 O3' G B 217 14.759 -24.539 -12.985 1.00 0.00 O ATOM 533 C2' G B 217 14.478 -22.657 -11.486 1.00 0.00 C ATOM 534 O2' G B 217 15.823 -23.050 -11.326 1.00 0.00 O ATOM 535 C1' G B 217 14.260 -21.181 -11.805 1.00 0.00 C ATOM 536 N9 G B 217 13.114 -20.586 -11.086 1.00 0.00 N ATOM 537 C8 G B 217 11.806 -20.689 -11.402 1.00 0.00 C ATOM 538 N7 G B 217 11.020 -20.035 -10.552 1.00 0.00 N ATOM 539 C5 G B 217 11.894 -19.491 -9.649 1.00 0.00 C ATOM 540 C6 G B 217 11.680 -18.687 -8.509 1.00 0.00 C ATOM 541 O6 G B 217 10.584 -18.309 -8.099 1.00 0.00 O ATOM 542 N1 G B 217 12.777 -18.297 -7.803 1.00 0.00 N ATOM 543 C2 G B 217 13.994 -18.698 -8.231 1.00 0.00 C ATOM 544 N2 G B 217 14.960 -18.238 -7.439 1.00 0.00 N ATOM 545 N3 G B 217 14.314 -19.459 -9.295 1.00 0.00 N ATOM 546 C4 G B 217 13.177 -19.814 -9.956 1.00 0.00 C ATOM 0 H5' G B 217 14.133 -21.697 -15.874 1.00 0.00 H new ATOM 0 H5'' G B 217 14.671 -23.359 -15.730 1.00 0.00 H new ATOM 0 H4' G B 217 15.634 -22.255 -14.128 1.00 0.00 H new ATOM 0 H3' G B 217 13.033 -23.480 -12.845 1.00 0.00 H new ATOM 0 H2' G B 217 13.946 -22.912 -10.570 1.00 0.00 H new ATOM 0 HO2' G B 217 15.890 -23.697 -10.593 1.00 0.00 H new ATOM 0 H1' G B 217 15.104 -20.565 -11.495 1.00 0.00 H new ATOM 0 H8 G B 217 11.438 -21.243 -12.253 1.00 0.00 H new ATOM 0 H1 G B 217 12.682 -17.716 -6.970 1.00 0.00 H new ATOM 0 H21 G B 217 15.935 -18.462 -7.640 1.00 0.00 H new ATOM 0 H22 G B 217 14.726 -17.662 -6.631 1.00 0.00 H new ATOM 558 P U B 218 13.917 -25.898 -12.929 1.00 0.00 P ATOM 559 OP1 U B 218 14.544 -26.910 -13.809 1.00 0.00 O ATOM 560 OP2 U B 218 12.482 -25.605 -13.139 1.00 0.00 O ATOM 561 O5' U B 218 14.107 -26.377 -11.413 1.00 0.00 O ATOM 562 C5' U B 218 15.415 -26.472 -10.854 1.00 0.00 C ATOM 563 C4' U B 218 15.397 -26.021 -9.411 1.00 0.00 C ATOM 564 O4' U B 218 14.955 -24.806 -9.190 1.00 0.00 O ATOM 565 C3' U B 218 14.376 -26.744 -8.538 1.00 0.00 C ATOM 566 O3' U B 218 14.862 -28.046 -8.219 1.00 0.00 O ATOM 567 C2' U B 218 14.232 -25.892 -7.307 1.00 0.00 C ATOM 568 O2' U B 218 15.233 -26.404 -6.457 1.00 0.00 O ATOM 569 C1' U B 218 14.510 -24.508 -7.886 1.00 0.00 C ATOM 570 N1 U B 218 13.319 -23.631 -7.915 1.00 0.00 N ATOM 571 C2 U B 218 13.167 -22.785 -6.860 1.00 0.00 C ATOM 572 O2 U B 218 13.948 -22.723 -5.924 1.00 0.00 O ATOM 573 N3 U B 218 12.059 -21.968 -6.886 1.00 0.00 N ATOM 574 C4 U B 218 11.134 -21.974 -7.899 1.00 0.00 C ATOM 575 O4 U B 218 10.182 -21.200 -7.817 1.00 0.00 O ATOM 576 C5 U B 218 11.340 -22.877 -8.976 1.00 0.00 C ATOM 577 C6 U B 218 12.421 -23.660 -8.931 1.00 0.00 C ATOM 0 H5' U B 218 16.109 -25.857 -11.427 1.00 0.00 H new ATOM 0 H5'' U B 218 15.772 -27.500 -10.918 1.00 0.00 H new ATOM 0 H4' U B 218 16.451 -26.184 -9.185 1.00 0.00 H new ATOM 0 H3' U B 218 13.414 -26.878 -9.032 1.00 0.00 H new ATOM 0 H2' U B 218 13.298 -25.871 -6.745 1.00 0.00 H new ATOM 0 HO2' U B 218 15.568 -27.251 -6.819 1.00 0.00 H new ATOM 0 H1' U B 218 15.226 -23.948 -7.284 1.00 0.00 H new ATOM 0 H3 U B 218 11.918 -21.322 -6.109 1.00 0.00 H new ATOM 0 H5 U B 218 10.647 -22.929 -9.802 1.00 0.00 H new ATOM 0 H6 U B 218 12.588 -24.351 -9.744 1.00 0.00 H new ATOM 588 P C B 219 13.863 -29.296 -8.223 1.00 0.00 P ATOM 589 OP1 C B 219 14.639 -30.555 -8.252 1.00 0.00 O ATOM 590 OP2 C B 219 12.831 -29.106 -9.268 1.00 0.00 O ATOM 591 O5' C B 219 13.146 -29.188 -6.797 1.00 0.00 O ATOM 592 C5' C B 219 13.890 -29.434 -5.605 1.00 0.00 C ATOM 593 C4' C B 219 13.164 -28.857 -4.411 1.00 0.00 C ATOM 594 O4' C B 219 12.995 -27.475 -4.500 1.00 0.00 O ATOM 595 C3' C B 219 11.681 -29.209 -4.344 1.00 0.00 C ATOM 596 O3' C B 219 11.528 -30.509 -3.776 1.00 0.00 O ATOM 597 C2' C B 219 11.060 -28.151 -3.476 1.00 0.00 C ATOM 598 O2' C B 219 11.365 -28.598 -2.174 1.00 0.00 O ATOM 599 C1' C B 219 11.827 -26.916 -3.941 1.00 0.00 C ATOM 600 N1 C B 219 11.094 -26.107 -4.937 1.00 0.00 N ATOM 601 C2 C B 219 10.479 -24.937 -4.494 1.00 0.00 C ATOM 602 O2 C B 219 10.575 -24.633 -3.299 1.00 0.00 O ATOM 603 N3 C B 219 9.805 -24.182 -5.380 1.00 0.00 N ATOM 604 C4 C B 219 9.713 -24.521 -6.651 1.00 0.00 C ATOM 605 N4 C B 219 9.043 -23.765 -7.510 1.00 0.00 N ATOM 606 C5 C B 219 10.341 -25.729 -7.135 1.00 0.00 C ATOM 607 C6 C B 219 11.008 -26.470 -6.239 1.00 0.00 C ATOM 0 H5' C B 219 14.881 -28.989 -5.688 1.00 0.00 H new ATOM 0 H5'' C B 219 14.032 -30.506 -5.471 1.00 0.00 H new ATOM 0 H4' C B 219 13.781 -29.237 -3.597 1.00 0.00 H new ATOM 0 H3' C B 219 11.206 -29.234 -5.325 1.00 0.00 H new ATOM 0 H2' C B 219 9.989 -27.951 -3.515 1.00 0.00 H new ATOM 0 HO2' C B 219 11.616 -29.545 -2.204 1.00 0.00 H new ATOM 0 H1' C B 219 12.008 -26.215 -3.126 1.00 0.00 H new ATOM 0 H41 C B 219 8.980 -24.040 -8.490 1.00 0.00 H new ATOM 0 H42 C B 219 8.590 -22.909 -7.190 1.00 0.00 H new ATOM 0 H5 C B 219 10.276 -26.022 -8.173 1.00 0.00 H new ATOM 0 H6 C B 219 11.490 -27.380 -6.564 1.00 0.00 H new ATOM 619 P C B 220 10.821 -31.671 -4.617 1.00 0.00 P ATOM 620 OP1 C B 220 11.528 -32.952 -4.388 1.00 0.00 O ATOM 621 OP2 C B 220 10.641 -31.233 -6.019 1.00 0.00 O ATOM 622 O5' C B 220 9.375 -31.777 -3.942 1.00 0.00 O ATOM 623 C5' C B 220 9.256 -31.901 -2.527 1.00 0.00 C ATOM 624 C4' C B 220 7.874 -31.480 -2.082 1.00 0.00 C ATOM 625 O4' C B 220 7.833 -30.088 -2.160 1.00 0.00 O ATOM 626 C3' C B 220 6.771 -31.769 -3.096 1.00 0.00 C ATOM 627 O3' C B 220 6.226 -33.073 -2.848 1.00 0.00 O ATOM 628 C2' C B 220 5.745 -30.691 -2.883 1.00 0.00 C ATOM 629 O2' C B 220 5.028 -31.162 -1.764 1.00 0.00 O ATOM 630 C1' C B 220 6.646 -29.487 -2.625 1.00 0.00 C ATOM 631 N1 C B 220 6.898 -28.671 -3.832 1.00 0.00 N ATOM 632 C2 C B 220 6.213 -27.463 -3.952 1.00 0.00 C ATOM 633 O2 C B 220 5.432 -27.133 -3.052 1.00 0.00 O ATOM 634 N3 C B 220 6.426 -26.702 -5.041 1.00 0.00 N ATOM 635 C4 C B 220 7.262 -27.069 -5.991 1.00 0.00 C ATOM 636 N4 C B 220 7.459 -26.305 -7.058 1.00 0.00 N ATOM 637 C5 C B 220 7.985 -28.317 -5.890 1.00 0.00 C ATOM 638 C6 C B 220 7.762 -29.063 -4.800 1.00 0.00 C ATOM 0 H5' C B 220 10.008 -31.284 -2.036 1.00 0.00 H new ATOM 0 H5'' C B 220 9.444 -32.932 -2.228 1.00 0.00 H new ATOM 0 H4' C B 220 7.721 -31.980 -1.125 1.00 0.00 H new ATOM 0 H3' C B 220 7.128 -31.767 -4.126 1.00 0.00 H new ATOM 0 H2' C B 220 5.022 -30.443 -3.660 1.00 0.00 H new ATOM 0 HO2' C B 220 5.059 -32.141 -1.744 1.00 0.00 H new ATOM 0 HO3' C B 220 5.516 -33.260 -3.497 1.00 0.00 H new ATOM 0 H1' C B 220 6.197 -28.780 -1.927 1.00 0.00 H new ATOM 0 H41 C B 220 8.109 -26.603 -7.785 1.00 0.00 H new ATOM 0 H42 C B 220 6.960 -25.420 -7.151 1.00 0.00 H new ATOM 0 H5 C B 220 8.674 -28.634 -6.659 1.00 0.00 H new ATOM 0 H6 C B 220 8.285 -30.002 -4.690 1.00 0.00 H new TER 650 C B 220 ATOM 651 N MET A 1 -0.880 -11.399 -1.217 1.00 0.00 N ATOM 652 CA MET A 1 -1.140 -10.639 -0.007 1.00 0.00 C ATOM 653 C MET A 1 0.147 -10.419 0.790 1.00 0.00 C ATOM 654 O MET A 1 0.430 -9.302 1.221 1.00 0.00 O ATOM 655 CB MET A 1 -2.154 -11.390 0.859 1.00 0.00 C ATOM 656 CG MET A 1 -2.619 -10.525 2.033 1.00 0.00 C ATOM 657 SD MET A 1 -4.000 -9.509 1.536 1.00 0.00 S ATOM 658 CE MET A 1 -3.399 -7.904 2.035 1.00 0.00 C ATOM 0 H1 MET A 1 -1.751 -11.462 -1.781 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.141 -10.924 -1.773 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.562 -12.356 -0.964 1.00 0.00 H new ATOM 0 HA MET A 1 -1.540 -9.666 -0.291 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.013 -11.678 0.253 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.706 -12.310 1.235 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.907 -11.160 2.871 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.799 -9.895 2.378 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.145 -7.146 1.796 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.212 -7.903 3.109 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.473 -7.682 1.506 1.00 0.00 H new ATOM 668 N GLN A 2 0.892 -11.501 0.962 1.00 0.00 N ATOM 669 CA GLN A 2 2.142 -11.440 1.699 1.00 0.00 C ATOM 670 C GLN A 2 3.064 -10.379 1.093 1.00 0.00 C ATOM 671 O GLN A 2 3.908 -9.816 1.788 1.00 0.00 O ATOM 672 CB GLN A 2 2.827 -12.807 1.733 1.00 0.00 C ATOM 673 CG GLN A 2 3.239 -13.180 3.157 1.00 0.00 C ATOM 674 CD GLN A 2 4.551 -13.967 3.162 1.00 0.00 C ATOM 675 OE1 GLN A 2 4.856 -14.720 2.252 1.00 0.00 O ATOM 676 NE2 GLN A 2 5.308 -13.749 4.233 1.00 0.00 N ATOM 0 H GLN A 2 0.653 -12.426 0.603 1.00 0.00 H new ATOM 0 HA GLN A 2 1.921 -11.157 2.728 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.152 -13.565 1.336 1.00 0.00 H new ATOM 0 HB3 GLN A 2 3.706 -12.793 1.088 1.00 0.00 H new ATOM 0 HG2 GLN A 2 3.351 -12.276 3.755 1.00 0.00 H new ATOM 0 HG3 GLN A 2 2.453 -13.774 3.623 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.992 -13.105 4.958 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.205 -14.226 4.329 1.00 0.00 H new ATOM 685 N LYS A 3 2.872 -10.140 -0.196 1.00 0.00 N ATOM 686 CA LYS A 3 3.675 -9.157 -0.903 1.00 0.00 C ATOM 687 C LYS A 3 5.122 -9.649 -0.979 1.00 0.00 C ATOM 688 O LYS A 3 6.043 -8.946 -0.566 1.00 0.00 O ATOM 689 CB LYS A 3 3.528 -7.779 -0.256 1.00 0.00 C ATOM 690 CG LYS A 3 2.164 -7.165 -0.580 1.00 0.00 C ATOM 691 CD LYS A 3 2.178 -6.491 -1.953 1.00 0.00 C ATOM 692 CE LYS A 3 0.761 -6.360 -2.513 1.00 0.00 C ATOM 693 NZ LYS A 3 0.037 -5.259 -1.841 1.00 0.00 N ATOM 0 H LYS A 3 2.172 -10.610 -0.769 1.00 0.00 H new ATOM 0 HA LYS A 3 3.321 -9.041 -1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.645 -7.866 0.824 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.321 -7.120 -0.610 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.398 -7.940 -0.559 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.899 -6.435 0.185 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.634 -5.504 -1.873 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.793 -7.072 -2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.804 -6.173 -3.586 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.221 -7.296 -2.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.923 -5.184 -2.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.020 -5.453 -0.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.545 -4.365 -1.995 1.00 0.00 H new ATOM 706 N GLY A 4 5.278 -10.852 -1.510 1.00 0.00 N ATOM 707 CA GLY A 4 6.597 -11.446 -1.647 1.00 0.00 C ATOM 708 C GLY A 4 7.511 -10.562 -2.498 1.00 0.00 C ATOM 709 O GLY A 4 8.733 -10.625 -2.374 1.00 0.00 O ATOM 0 H GLY A 4 4.512 -11.433 -1.851 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.039 -11.590 -0.661 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.510 -12.432 -2.104 1.00 0.00 H new ATOM 713 N ASN A 5 6.882 -9.759 -3.345 1.00 0.00 N ATOM 714 CA ASN A 5 7.623 -8.864 -4.217 1.00 0.00 C ATOM 715 C ASN A 5 8.449 -7.897 -3.365 1.00 0.00 C ATOM 716 O ASN A 5 9.362 -7.245 -3.870 1.00 0.00 O ATOM 717 CB ASN A 5 6.677 -8.036 -5.088 1.00 0.00 C ATOM 718 CG ASN A 5 7.268 -7.816 -6.482 1.00 0.00 C ATOM 719 OD1 ASN A 5 7.500 -8.744 -7.240 1.00 0.00 O ATOM 720 ND2 ASN A 5 7.496 -6.540 -6.778 1.00 0.00 N ATOM 0 H ASN A 5 5.868 -9.710 -3.445 1.00 0.00 H new ATOM 0 HA ASN A 5 8.264 -9.470 -4.857 1.00 0.00 H new ATOM 0 HB2 ASN A 5 5.716 -8.544 -5.172 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.488 -7.073 -4.613 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.888 -6.289 -7.686 1.00 0.00 H new ATOM 0 HD22 ASN A 5 7.279 -5.812 -6.097 1.00 0.00 H new ATOM 727 N PHE A 6 8.098 -7.835 -2.090 1.00 0.00 N ATOM 728 CA PHE A 6 8.795 -6.959 -1.163 1.00 0.00 C ATOM 729 C PHE A 6 10.280 -7.319 -1.080 1.00 0.00 C ATOM 730 O PHE A 6 11.089 -6.527 -0.599 1.00 0.00 O ATOM 731 CB PHE A 6 8.156 -7.162 0.212 1.00 0.00 C ATOM 732 CG PHE A 6 9.035 -6.710 1.380 1.00 0.00 C ATOM 733 CD1 PHE A 6 10.119 -7.447 1.740 1.00 0.00 C ATOM 734 CD2 PHE A 6 8.732 -5.570 2.057 1.00 0.00 C ATOM 735 CE1 PHE A 6 10.935 -7.027 2.824 1.00 0.00 C ATOM 736 CE2 PHE A 6 9.548 -5.150 3.141 1.00 0.00 C ATOM 737 CZ PHE A 6 10.632 -5.888 3.502 1.00 0.00 C ATOM 0 H PHE A 6 7.340 -8.377 -1.676 1.00 0.00 H new ATOM 0 HA PHE A 6 8.717 -5.925 -1.499 1.00 0.00 H new ATOM 0 HB2 PHE A 6 7.213 -6.616 0.247 1.00 0.00 H new ATOM 0 HB3 PHE A 6 7.917 -8.218 0.338 1.00 0.00 H new ATOM 0 HD1 PHE A 6 10.360 -8.352 1.202 1.00 0.00 H new ATOM 0 HD2 PHE A 6 7.871 -4.984 1.770 1.00 0.00 H new ATOM 0 HE1 PHE A 6 11.796 -7.612 3.110 1.00 0.00 H new ATOM 0 HE2 PHE A 6 9.308 -4.245 3.679 1.00 0.00 H new ATOM 0 HZ PHE A 6 11.252 -5.569 4.327 1.00 0.00 H new ATOM 747 N ARG A 7 10.594 -8.515 -1.557 1.00 0.00 N ATOM 748 CA ARG A 7 11.967 -8.990 -1.542 1.00 0.00 C ATOM 749 C ARG A 7 12.859 -8.060 -2.367 1.00 0.00 C ATOM 750 O ARG A 7 14.084 -8.152 -2.305 1.00 0.00 O ATOM 751 CB ARG A 7 12.065 -10.410 -2.103 1.00 0.00 C ATOM 752 CG ARG A 7 11.568 -10.463 -3.550 1.00 0.00 C ATOM 753 CD ARG A 7 12.496 -11.316 -4.417 1.00 0.00 C ATOM 754 NE ARG A 7 13.537 -10.465 -5.035 1.00 0.00 N ATOM 755 CZ ARG A 7 13.280 -9.480 -5.922 1.00 0.00 C ATOM 756 NH1 ARG A 7 12.013 -9.213 -6.302 1.00 0.00 N ATOM 757 NH2 ARG A 7 14.287 -8.781 -6.412 1.00 0.00 N ATOM 0 H ARG A 7 9.921 -9.169 -1.956 1.00 0.00 H new ATOM 0 HA ARG A 7 12.304 -8.997 -0.505 1.00 0.00 H new ATOM 0 HB2 ARG A 7 13.099 -10.753 -2.057 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.476 -11.090 -1.487 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.559 -10.875 -3.577 1.00 0.00 H new ATOM 0 HG3 ARG A 7 11.511 -9.453 -3.956 1.00 0.00 H new ATOM 0 HD2 ARG A 7 12.962 -12.092 -3.810 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.920 -11.821 -5.193 1.00 0.00 H new ATOM 0 HE ARG A 7 14.509 -10.633 -4.775 1.00 0.00 H new ATOM 0 HH11 ARG A 7 11.240 -9.757 -5.919 1.00 0.00 H new ATOM 0 HH12 ARG A 7 11.828 -8.467 -6.973 1.00 0.00 H new ATOM 0 HH21 ARG A 7 15.242 -8.988 -6.120 1.00 0.00 H new ATOM 0 HH22 ARG A 7 14.110 -8.033 -7.083 1.00 0.00 H new ATOM 770 N ASN A 8 12.209 -7.185 -3.120 1.00 0.00 N ATOM 771 CA ASN A 8 12.929 -6.239 -3.957 1.00 0.00 C ATOM 772 C ASN A 8 13.879 -5.415 -3.087 1.00 0.00 C ATOM 773 O ASN A 8 14.964 -5.040 -3.529 1.00 0.00 O ATOM 774 CB ASN A 8 11.964 -5.273 -4.650 1.00 0.00 C ATOM 775 CG ASN A 8 11.072 -4.564 -3.630 1.00 0.00 C ATOM 776 OD1 ASN A 8 10.749 -5.090 -2.577 1.00 0.00 O ATOM 777 ND2 ASN A 8 10.692 -3.344 -3.999 1.00 0.00 N ATOM 0 H ASN A 8 11.193 -7.111 -3.168 1.00 0.00 H new ATOM 0 HA ASN A 8 13.478 -6.804 -4.710 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.529 -4.535 -5.219 1.00 0.00 H new ATOM 0 HB3 ASN A 8 11.345 -5.820 -5.362 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.094 -2.789 -3.387 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.998 -2.963 -4.894 1.00 0.00 H new ATOM 784 N GLN A 9 13.438 -5.157 -1.864 1.00 0.00 N ATOM 785 CA GLN A 9 14.236 -4.384 -0.927 1.00 0.00 C ATOM 786 C GLN A 9 15.582 -5.071 -0.685 1.00 0.00 C ATOM 787 O GLN A 9 16.484 -4.483 -0.091 1.00 0.00 O ATOM 788 CB GLN A 9 13.485 -4.171 0.388 1.00 0.00 C ATOM 789 CG GLN A 9 12.421 -3.081 0.241 1.00 0.00 C ATOM 790 CD GLN A 9 11.505 -3.039 1.466 1.00 0.00 C ATOM 791 OE1 GLN A 9 10.310 -3.268 1.387 1.00 0.00 O ATOM 792 NE2 GLN A 9 12.131 -2.734 2.599 1.00 0.00 N ATOM 0 H GLN A 9 12.538 -5.470 -1.500 1.00 0.00 H new ATOM 0 HA GLN A 9 14.423 -3.402 -1.362 1.00 0.00 H new ATOM 0 HB2 GLN A 9 13.014 -5.104 0.698 1.00 0.00 H new ATOM 0 HB3 GLN A 9 14.189 -3.894 1.172 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.903 -2.112 0.110 1.00 0.00 H new ATOM 0 HG3 GLN A 9 11.828 -3.265 -0.655 1.00 0.00 H new ATOM 0 HE21 GLN A 9 13.135 -2.554 2.594 1.00 0.00 H new ATOM 0 HE22 GLN A 9 11.607 -2.680 3.473 1.00 0.00 H new ATOM 801 N ARG A 10 15.674 -6.306 -1.156 1.00 0.00 N ATOM 802 CA ARG A 10 16.893 -7.079 -0.997 1.00 0.00 C ATOM 803 C ARG A 10 18.087 -6.308 -1.563 1.00 0.00 C ATOM 804 O ARG A 10 19.236 -6.611 -1.242 1.00 0.00 O ATOM 805 CB ARG A 10 16.785 -8.431 -1.706 1.00 0.00 C ATOM 806 CG ARG A 10 16.784 -8.255 -3.226 1.00 0.00 C ATOM 807 CD ARG A 10 17.811 -9.179 -3.885 1.00 0.00 C ATOM 808 NE ARG A 10 18.558 -8.442 -4.929 1.00 0.00 N ATOM 809 CZ ARG A 10 19.678 -7.726 -4.695 1.00 0.00 C ATOM 810 NH1 ARG A 10 20.191 -7.643 -3.448 1.00 0.00 N ATOM 811 NH2 ARG A 10 20.264 -7.108 -5.702 1.00 0.00 N ATOM 0 H ARG A 10 14.923 -6.790 -1.648 1.00 0.00 H new ATOM 0 HA ARG A 10 17.039 -7.252 0.069 1.00 0.00 H new ATOM 0 HB2 ARG A 10 17.619 -9.068 -1.411 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.871 -8.937 -1.394 1.00 0.00 H new ATOM 0 HG2 ARG A 10 15.791 -8.470 -3.620 1.00 0.00 H new ATOM 0 HG3 ARG A 10 17.009 -7.218 -3.476 1.00 0.00 H new ATOM 0 HD2 ARG A 10 18.502 -9.563 -3.134 1.00 0.00 H new ATOM 0 HD3 ARG A 10 17.308 -10.040 -4.325 1.00 0.00 H new ATOM 0 HE ARG A 10 18.204 -8.477 -5.885 1.00 0.00 H new ATOM 0 HH11 ARG A 10 19.732 -8.124 -2.674 1.00 0.00 H new ATOM 0 HH12 ARG A 10 21.038 -7.100 -3.280 1.00 0.00 H new ATOM 0 HH21 ARG A 10 19.870 -7.175 -6.640 1.00 0.00 H new ATOM 0 HH22 ARG A 10 21.111 -6.563 -5.542 1.00 0.00 H new ATOM 824 N LYS A 11 17.776 -5.326 -2.397 1.00 0.00 N ATOM 825 CA LYS A 11 18.808 -4.509 -3.012 1.00 0.00 C ATOM 826 C LYS A 11 18.803 -3.120 -2.371 1.00 0.00 C ATOM 827 O LYS A 11 19.570 -2.857 -1.445 1.00 0.00 O ATOM 828 CB LYS A 11 18.640 -4.486 -4.532 1.00 0.00 C ATOM 829 CG LYS A 11 19.570 -3.454 -5.171 1.00 0.00 C ATOM 830 CD LYS A 11 20.028 -3.911 -6.557 1.00 0.00 C ATOM 831 CE LYS A 11 18.918 -3.717 -7.593 1.00 0.00 C ATOM 832 NZ LYS A 11 18.920 -2.326 -8.099 1.00 0.00 N ATOM 0 H LYS A 11 16.823 -5.078 -2.661 1.00 0.00 H new ATOM 0 HA LYS A 11 19.793 -4.940 -2.831 1.00 0.00 H new ATOM 0 HB2 LYS A 11 18.853 -5.474 -4.940 1.00 0.00 H new ATOM 0 HB3 LYS A 11 17.605 -4.253 -4.784 1.00 0.00 H new ATOM 0 HG2 LYS A 11 19.055 -2.497 -5.252 1.00 0.00 H new ATOM 0 HG3 LYS A 11 20.438 -3.296 -4.531 1.00 0.00 H new ATOM 0 HD2 LYS A 11 20.912 -3.348 -6.856 1.00 0.00 H new ATOM 0 HD3 LYS A 11 20.317 -4.961 -6.521 1.00 0.00 H new ATOM 0 HE2 LYS A 11 19.059 -4.412 -8.421 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.951 -3.946 -7.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 18.161 -2.211 -8.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 18.763 -1.669 -7.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 19.837 -2.120 -8.544 1.00 0.00 H new ATOM 845 N THR A 12 17.930 -2.269 -2.887 1.00 0.00 N ATOM 846 CA THR A 12 17.815 -0.912 -2.377 1.00 0.00 C ATOM 847 C THR A 12 16.737 -0.144 -3.143 1.00 0.00 C ATOM 848 O THR A 12 16.951 0.999 -3.545 1.00 0.00 O ATOM 849 CB THR A 12 19.196 -0.260 -2.453 1.00 0.00 C ATOM 850 OG1 THR A 12 19.163 0.742 -1.440 1.00 0.00 O ATOM 851 CG2 THR A 12 19.402 0.528 -3.749 1.00 0.00 C ATOM 0 H THR A 12 17.295 -2.492 -3.653 1.00 0.00 H new ATOM 0 HA THR A 12 17.494 -0.907 -1.335 1.00 0.00 H new ATOM 0 HB THR A 12 19.965 -1.028 -2.369 1.00 0.00 H new ATOM 0 HG1 THR A 12 20.022 1.214 -1.419 1.00 0.00 H new ATOM 0 HG21 THR A 12 20.398 0.970 -3.751 1.00 0.00 H new ATOM 0 HG22 THR A 12 19.300 -0.142 -4.602 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.654 1.318 -3.817 1.00 0.00 H new ATOM 859 N VAL A 13 15.601 -0.802 -3.322 1.00 0.00 N ATOM 860 CA VAL A 13 14.489 -0.195 -4.033 1.00 0.00 C ATOM 861 C VAL A 13 14.340 1.262 -3.591 1.00 0.00 C ATOM 862 O VAL A 13 14.740 1.623 -2.484 1.00 0.00 O ATOM 863 CB VAL A 13 13.217 -1.018 -3.815 1.00 0.00 C ATOM 864 CG1 VAL A 13 13.289 -2.349 -4.565 1.00 0.00 C ATOM 865 CG2 VAL A 13 12.958 -1.242 -2.324 1.00 0.00 C ATOM 0 H VAL A 13 15.427 -1.750 -2.987 1.00 0.00 H new ATOM 0 HA VAL A 13 14.679 -0.191 -5.106 1.00 0.00 H new ATOM 0 HB VAL A 13 12.378 -0.451 -4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.373 -2.914 -4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 13 13.403 -2.160 -5.632 1.00 0.00 H new ATOM 0 HG13 VAL A 13 14.142 -2.924 -4.205 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.049 -1.829 -2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.800 -1.777 -1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.841 -0.279 -1.826 1.00 0.00 H new ATOM 875 N LYS A 14 13.766 2.061 -4.478 1.00 0.00 N ATOM 876 CA LYS A 14 13.561 3.471 -4.193 1.00 0.00 C ATOM 877 C LYS A 14 12.075 3.722 -3.928 1.00 0.00 C ATOM 878 O LYS A 14 11.216 3.097 -4.547 1.00 0.00 O ATOM 879 CB LYS A 14 14.139 4.334 -5.316 1.00 0.00 C ATOM 880 CG LYS A 14 13.144 4.470 -6.471 1.00 0.00 C ATOM 881 CD LYS A 14 13.868 4.484 -7.819 1.00 0.00 C ATOM 882 CE LYS A 14 13.866 5.888 -8.428 1.00 0.00 C ATOM 883 NZ LYS A 14 15.250 6.357 -8.653 1.00 0.00 N ATOM 0 H LYS A 14 13.436 1.759 -5.395 1.00 0.00 H new ATOM 0 HA LYS A 14 14.100 3.760 -3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.389 5.322 -4.928 1.00 0.00 H new ATOM 0 HB3 LYS A 14 15.066 3.890 -5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.434 3.643 -6.444 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.568 5.388 -6.354 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.895 4.142 -7.688 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.384 3.786 -8.503 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.320 5.881 -9.372 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.345 6.578 -7.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.230 7.311 -9.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.759 6.383 -7.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.735 5.707 -9.304 1.00 0.00 H new ATOM 896 N CYS A 15 11.819 4.638 -3.005 1.00 0.00 N ATOM 897 CA CYS A 15 10.452 4.979 -2.650 1.00 0.00 C ATOM 898 C CYS A 15 9.941 6.018 -3.650 1.00 0.00 C ATOM 899 O CYS A 15 10.402 7.159 -3.656 1.00 0.00 O ATOM 900 CB CYS A 15 10.350 5.478 -1.206 1.00 0.00 C ATOM 901 SG CYS A 15 8.598 5.771 -0.767 1.00 0.00 S ATOM 0 H CYS A 15 12.535 5.154 -2.493 1.00 0.00 H new ATOM 0 HA CYS A 15 9.827 4.088 -2.702 1.00 0.00 H new ATOM 0 HB2 CYS A 15 10.786 4.745 -0.528 1.00 0.00 H new ATOM 0 HB3 CYS A 15 10.921 6.399 -1.090 1.00 0.00 H new ATOM 906 N PHE A 16 8.993 5.587 -4.470 1.00 0.00 N ATOM 907 CA PHE A 16 8.415 6.466 -5.471 1.00 0.00 C ATOM 908 C PHE A 16 7.408 7.429 -4.840 1.00 0.00 C ATOM 909 O PHE A 16 6.723 8.168 -5.547 1.00 0.00 O ATOM 910 CB PHE A 16 7.687 5.575 -6.481 1.00 0.00 C ATOM 911 CG PHE A 16 8.615 4.868 -7.470 1.00 0.00 C ATOM 912 CD1 PHE A 16 9.631 5.555 -8.059 1.00 0.00 C ATOM 913 CD2 PHE A 16 8.425 3.553 -7.760 1.00 0.00 C ATOM 914 CE1 PHE A 16 10.493 4.897 -8.977 1.00 0.00 C ATOM 915 CE2 PHE A 16 9.288 2.896 -8.678 1.00 0.00 C ATOM 916 CZ PHE A 16 10.303 3.582 -9.267 1.00 0.00 C ATOM 0 H PHE A 16 8.611 4.641 -4.461 1.00 0.00 H new ATOM 0 HA PHE A 16 9.198 7.060 -5.942 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.111 4.825 -5.939 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.974 6.183 -7.038 1.00 0.00 H new ATOM 0 HD1 PHE A 16 9.782 6.599 -7.829 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.618 3.008 -7.293 1.00 0.00 H new ATOM 0 HE1 PHE A 16 11.300 5.442 -9.445 1.00 0.00 H new ATOM 0 HE2 PHE A 16 9.137 1.852 -8.908 1.00 0.00 H new ATOM 0 HZ PHE A 16 10.958 3.083 -9.965 1.00 0.00 H new ATOM 926 N ASN A 17 7.350 7.390 -3.517 1.00 0.00 N ATOM 927 CA ASN A 17 6.437 8.250 -2.783 1.00 0.00 C ATOM 928 C ASN A 17 7.202 9.468 -2.260 1.00 0.00 C ATOM 929 O ASN A 17 6.812 10.607 -2.514 1.00 0.00 O ATOM 930 CB ASN A 17 5.837 7.518 -1.581 1.00 0.00 C ATOM 931 CG ASN A 17 4.494 8.132 -1.181 1.00 0.00 C ATOM 932 OD1 ASN A 17 3.771 8.691 -1.989 1.00 0.00 O ATOM 933 ND2 ASN A 17 4.202 7.998 0.110 1.00 0.00 N ATOM 0 H ASN A 17 7.920 6.777 -2.934 1.00 0.00 H new ATOM 0 HA ASN A 17 5.637 8.548 -3.460 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.702 6.464 -1.823 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.528 7.566 -0.739 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.328 8.375 0.477 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.852 7.518 0.733 1.00 0.00 H new ATOM 940 N CYS A 18 8.277 9.187 -1.538 1.00 0.00 N ATOM 941 CA CYS A 18 9.099 10.245 -0.977 1.00 0.00 C ATOM 942 C CYS A 18 10.311 10.447 -1.889 1.00 0.00 C ATOM 943 O CYS A 18 10.672 11.580 -2.207 1.00 0.00 O ATOM 944 CB CYS A 18 9.513 9.937 0.463 1.00 0.00 C ATOM 945 SG CYS A 18 10.439 8.360 0.523 1.00 0.00 S ATOM 0 H CYS A 18 8.598 8.242 -1.329 1.00 0.00 H new ATOM 0 HA CYS A 18 8.523 11.169 -0.930 1.00 0.00 H new ATOM 0 HB2 CYS A 18 10.130 10.746 0.854 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.630 9.874 1.099 1.00 0.00 H new ATOM 950 N GLY A 19 10.905 9.331 -2.285 1.00 0.00 N ATOM 951 CA GLY A 19 12.070 9.371 -3.154 1.00 0.00 C ATOM 952 C GLY A 19 13.335 8.967 -2.394 1.00 0.00 C ATOM 953 O GLY A 19 14.429 9.426 -2.716 1.00 0.00 O ATOM 0 H GLY A 19 10.602 8.394 -2.021 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.920 8.701 -4.000 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.191 10.375 -3.560 1.00 0.00 H new ATOM 957 N LYS A 20 13.143 8.111 -1.401 1.00 0.00 N ATOM 958 CA LYS A 20 14.255 7.640 -0.593 1.00 0.00 C ATOM 959 C LYS A 20 14.494 6.156 -0.879 1.00 0.00 C ATOM 960 O LYS A 20 13.544 5.393 -1.054 1.00 0.00 O ATOM 961 CB LYS A 20 14.013 7.952 0.886 1.00 0.00 C ATOM 962 CG LYS A 20 14.971 9.037 1.380 1.00 0.00 C ATOM 963 CD LYS A 20 14.384 9.781 2.580 1.00 0.00 C ATOM 964 CE LYS A 20 15.427 10.697 3.223 1.00 0.00 C ATOM 965 NZ LYS A 20 15.008 11.083 4.589 1.00 0.00 N ATOM 0 H LYS A 20 12.234 7.731 -1.138 1.00 0.00 H new ATOM 0 HA LYS A 20 15.171 8.168 -0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.983 8.279 1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 20 14.146 7.047 1.479 1.00 0.00 H new ATOM 0 HG2 LYS A 20 15.924 8.587 1.657 1.00 0.00 H new ATOM 0 HG3 LYS A 20 15.174 9.742 0.574 1.00 0.00 H new ATOM 0 HD2 LYS A 20 13.524 10.371 2.261 1.00 0.00 H new ATOM 0 HD3 LYS A 20 14.023 9.063 3.316 1.00 0.00 H new ATOM 0 HE2 LYS A 20 16.391 10.189 3.262 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.562 11.590 2.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 15.728 11.705 5.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.099 11.586 4.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 14.903 10.230 5.174 1.00 0.00 H new ATOM 978 N GLU A 21 15.767 5.790 -0.914 1.00 0.00 N ATOM 979 CA GLU A 21 16.142 4.411 -1.175 1.00 0.00 C ATOM 980 C GLU A 21 16.158 3.610 0.128 1.00 0.00 C ATOM 981 O GLU A 21 16.615 4.103 1.159 1.00 0.00 O ATOM 982 CB GLU A 21 17.496 4.336 -1.882 1.00 0.00 C ATOM 983 CG GLU A 21 17.319 4.197 -3.396 1.00 0.00 C ATOM 984 CD GLU A 21 18.393 4.983 -4.148 1.00 0.00 C ATOM 985 OE1 GLU A 21 18.248 6.198 -4.346 1.00 0.00 O ATOM 986 OE2 GLU A 21 19.410 4.287 -4.531 1.00 0.00 O ATOM 0 H GLU A 21 16.552 6.425 -0.766 1.00 0.00 H new ATOM 0 HA GLU A 21 15.398 3.972 -1.839 1.00 0.00 H new ATOM 0 HB2 GLU A 21 18.075 5.232 -1.661 1.00 0.00 H new ATOM 0 HB3 GLU A 21 18.063 3.487 -1.499 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.370 3.145 -3.677 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.331 4.556 -3.685 1.00 0.00 H new ATOM 994 N GLY A 22 15.654 2.388 0.041 1.00 0.00 N ATOM 995 CA GLY A 22 15.606 1.514 1.201 1.00 0.00 C ATOM 996 C GLY A 22 14.209 0.915 1.379 1.00 0.00 C ATOM 997 O GLY A 22 14.065 -0.193 1.891 1.00 0.00 O ATOM 0 H GLY A 22 15.275 1.982 -0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.337 0.713 1.088 1.00 0.00 H new ATOM 0 HA3 GLY A 22 15.882 2.074 2.094 1.00 0.00 H new ATOM 1001 N HIS A 23 13.215 1.677 0.945 1.00 0.00 N ATOM 1002 CA HIS A 23 11.834 1.236 1.049 1.00 0.00 C ATOM 1003 C HIS A 23 11.042 1.739 -0.158 1.00 0.00 C ATOM 1004 O HIS A 23 11.442 2.703 -0.810 1.00 0.00 O ATOM 1005 CB HIS A 23 11.224 1.672 2.382 1.00 0.00 C ATOM 1006 CG HIS A 23 10.814 3.125 2.424 1.00 0.00 C ATOM 1007 ND1 HIS A 23 11.645 4.125 2.900 1.00 0.00 N ATOM 1008 CD2 HIS A 23 9.655 3.736 2.045 1.00 0.00 C ATOM 1009 CE1 HIS A 23 11.004 5.281 2.807 1.00 0.00 C ATOM 1010 NE2 HIS A 23 9.771 5.038 2.277 1.00 0.00 N ATOM 0 H HIS A 23 13.339 2.596 0.521 1.00 0.00 H new ATOM 0 HA HIS A 23 11.795 0.147 1.037 1.00 0.00 H new ATOM 0 HB2 HIS A 23 10.352 1.053 2.590 1.00 0.00 H new ATOM 0 HB3 HIS A 23 11.945 1.485 3.178 1.00 0.00 H new ATOM 0 HD1 HIS A 23 12.590 3.994 3.261 1.00 0.00 H new ATOM 0 HD2 HIS A 23 8.789 3.244 1.627 1.00 0.00 H new ATOM 0 HE1 HIS A 23 11.390 6.246 3.100 1.00 0.00 H new ATOM 1018 N ILE A 24 9.932 1.066 -0.421 1.00 0.00 N ATOM 1019 CA ILE A 24 9.080 1.432 -1.539 1.00 0.00 C ATOM 1020 C ILE A 24 7.808 2.096 -1.008 1.00 0.00 C ATOM 1021 O ILE A 24 7.474 1.956 0.167 1.00 0.00 O ATOM 1022 CB ILE A 24 8.814 0.219 -2.431 1.00 0.00 C ATOM 1023 CG1 ILE A 24 7.822 -0.742 -1.770 1.00 0.00 C ATOM 1024 CG2 ILE A 24 10.121 -0.479 -2.811 1.00 0.00 C ATOM 1025 CD1 ILE A 24 7.264 -1.738 -2.787 1.00 0.00 C ATOM 0 H ILE A 24 9.603 0.268 0.122 1.00 0.00 H new ATOM 0 HA ILE A 24 9.580 2.162 -2.176 1.00 0.00 H new ATOM 0 HB ILE A 24 8.355 0.569 -3.356 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.316 -1.281 -0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.004 -0.176 -1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.904 -1.338 -3.445 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.762 0.218 -3.351 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.630 -0.815 -1.908 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.562 -2.409 -2.292 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.750 -1.197 -3.582 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.082 -2.319 -3.214 1.00 0.00 H new ATOM 1037 N ALA A 25 7.131 2.805 -1.901 1.00 0.00 N ATOM 1038 CA ALA A 25 5.903 3.490 -1.537 1.00 0.00 C ATOM 1039 C ALA A 25 4.989 2.524 -0.781 1.00 0.00 C ATOM 1040 O ALA A 25 4.281 2.926 0.141 1.00 0.00 O ATOM 1041 CB ALA A 25 5.241 4.055 -2.795 1.00 0.00 C ATOM 0 H ALA A 25 7.410 2.919 -2.875 1.00 0.00 H new ATOM 0 HA ALA A 25 6.114 4.330 -0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.319 4.569 -2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.919 4.758 -3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.012 3.241 -3.483 1.00 0.00 H new ATOM 1047 N LYS A 26 5.034 1.268 -1.200 1.00 0.00 N ATOM 1048 CA LYS A 26 4.219 0.240 -0.574 1.00 0.00 C ATOM 1049 C LYS A 26 4.580 0.141 0.909 1.00 0.00 C ATOM 1050 O LYS A 26 3.698 0.094 1.765 1.00 0.00 O ATOM 1051 CB LYS A 26 4.351 -1.084 -1.329 1.00 0.00 C ATOM 1052 CG LYS A 26 3.874 -0.940 -2.776 1.00 0.00 C ATOM 1053 CD LYS A 26 2.436 -1.437 -2.930 1.00 0.00 C ATOM 1054 CE LYS A 26 2.352 -2.559 -3.968 1.00 0.00 C ATOM 1055 NZ LYS A 26 1.226 -2.321 -4.898 1.00 0.00 N ATOM 0 H LYS A 26 5.622 0.939 -1.965 1.00 0.00 H new ATOM 0 HA LYS A 26 3.163 0.507 -0.628 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.390 -1.412 -1.316 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.767 -1.854 -0.825 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.936 0.105 -3.081 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.531 -1.505 -3.437 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.067 -1.797 -1.970 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.792 -0.610 -3.230 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.286 -2.617 -4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.221 -3.518 -3.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.183 -3.091 -5.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.335 -2.289 -4.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.368 -1.416 -5.390 1.00 0.00 H new ATOM 1068 N ASN A 27 5.880 0.114 1.168 1.00 0.00 N ATOM 1069 CA ASN A 27 6.369 0.021 2.533 1.00 0.00 C ATOM 1070 C ASN A 27 6.679 1.425 3.055 1.00 0.00 C ATOM 1071 O ASN A 27 7.370 1.580 4.061 1.00 0.00 O ATOM 1072 CB ASN A 27 7.656 -0.802 2.601 1.00 0.00 C ATOM 1073 CG ASN A 27 7.374 -2.284 2.343 1.00 0.00 C ATOM 1074 OD1 ASN A 27 7.442 -3.120 3.228 1.00 0.00 O ATOM 1075 ND2 ASN A 27 7.054 -2.561 1.082 1.00 0.00 N ATOM 0 H ASN A 27 6.609 0.155 0.456 1.00 0.00 H new ATOM 0 HA ASN A 27 5.599 -0.462 3.135 1.00 0.00 H new ATOM 0 HB2 ASN A 27 8.369 -0.430 1.865 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.118 -0.681 3.581 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.848 -3.521 0.807 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.015 -1.813 0.390 1.00 0.00 H new ATOM 1082 N CYS A 28 6.152 2.415 2.347 1.00 0.00 N ATOM 1083 CA CYS A 28 6.363 3.802 2.727 1.00 0.00 C ATOM 1084 C CYS A 28 5.276 4.197 3.729 1.00 0.00 C ATOM 1085 O CYS A 28 4.109 3.850 3.552 1.00 0.00 O ATOM 1086 CB CYS A 28 6.379 4.726 1.509 1.00 0.00 C ATOM 1087 SG CYS A 28 6.761 6.438 2.026 1.00 0.00 S ATOM 0 H CYS A 28 5.580 2.284 1.513 1.00 0.00 H new ATOM 0 HA CYS A 28 7.342 3.908 3.194 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.122 4.380 0.790 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.412 4.696 1.007 1.00 0.00 H new ATOM 1092 N ARG A 29 5.697 4.916 4.759 1.00 0.00 N ATOM 1093 CA ARG A 29 4.773 5.362 5.787 1.00 0.00 C ATOM 1094 C ARG A 29 3.948 6.547 5.282 1.00 0.00 C ATOM 1095 O ARG A 29 2.788 6.706 5.659 1.00 0.00 O ATOM 1096 CB ARG A 29 5.521 5.774 7.057 1.00 0.00 C ATOM 1097 CG ARG A 29 5.104 4.904 8.245 1.00 0.00 C ATOM 1098 CD ARG A 29 6.326 4.430 9.034 1.00 0.00 C ATOM 1099 NE ARG A 29 5.994 3.208 9.799 1.00 0.00 N ATOM 1100 CZ ARG A 29 6.623 2.828 10.931 1.00 0.00 C ATOM 1101 NH1 ARG A 29 7.626 3.575 11.440 1.00 0.00 N ATOM 1102 NH2 ARG A 29 6.243 1.717 11.532 1.00 0.00 N ATOM 0 H ARG A 29 6.666 5.201 4.903 1.00 0.00 H new ATOM 0 HA ARG A 29 4.111 4.529 6.022 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.595 5.685 6.896 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.318 6.822 7.280 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.441 5.470 8.900 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.540 4.042 7.889 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.153 4.229 8.353 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.657 5.215 9.714 1.00 0.00 H new ATOM 0 HE ARG A 29 5.242 2.615 9.449 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.913 4.433 10.969 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.097 3.282 12.296 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.484 1.159 11.140 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.708 1.416 12.388 1.00 0.00 H new ATOM 1115 N ALA A 30 4.579 7.350 4.438 1.00 0.00 N ATOM 1116 CA ALA A 30 3.917 8.516 3.878 1.00 0.00 C ATOM 1117 C ALA A 30 2.662 8.072 3.125 1.00 0.00 C ATOM 1118 O ALA A 30 2.564 6.923 2.698 1.00 0.00 O ATOM 1119 CB ALA A 30 4.896 9.277 2.981 1.00 0.00 C ATOM 0 H ALA A 30 5.542 7.216 4.128 1.00 0.00 H new ATOM 0 HA ALA A 30 3.603 9.196 4.670 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.400 10.152 2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.756 9.596 3.570 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.230 8.626 2.173 1.00 0.00 H new ATOM 1125 N PRO A 31 1.708 9.031 2.981 1.00 0.00 N ATOM 1126 CA PRO A 31 0.463 8.751 2.288 1.00 0.00 C ATOM 1127 C PRO A 31 0.680 8.691 0.774 1.00 0.00 C ATOM 1128 O PRO A 31 1.575 9.348 0.246 1.00 0.00 O ATOM 1129 CB PRO A 31 -0.481 9.864 2.709 1.00 0.00 C ATOM 1130 CG PRO A 31 0.400 10.978 3.250 1.00 0.00 C ATOM 1131 CD PRO A 31 1.790 10.403 3.475 1.00 0.00 C ATOM 0 HA PRO A 31 0.048 7.777 2.546 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.075 10.212 1.864 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.181 9.516 3.469 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.440 11.810 2.546 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.007 11.369 4.182 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.547 10.973 2.936 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.063 10.428 4.530 1.00 0.00 H new ATOM 1139 N ARG A 32 -0.155 7.898 0.120 1.00 0.00 N ATOM 1140 CA ARG A 32 -0.067 7.745 -1.322 1.00 0.00 C ATOM 1141 C ARG A 32 -0.193 9.106 -2.010 1.00 0.00 C ATOM 1142 O ARG A 32 -1.292 9.647 -2.123 1.00 0.00 O ATOM 1143 CB ARG A 32 -1.161 6.813 -1.845 1.00 0.00 C ATOM 1144 CG ARG A 32 -1.136 5.471 -1.111 1.00 0.00 C ATOM 1145 CD ARG A 32 -0.303 4.442 -1.878 1.00 0.00 C ATOM 1146 NE ARG A 32 1.133 4.793 -1.799 1.00 0.00 N ATOM 1147 CZ ARG A 32 1.860 4.755 -0.663 1.00 0.00 C ATOM 1148 NH1 ARG A 32 1.292 4.380 0.502 1.00 0.00 N ATOM 1149 NH2 ARG A 32 3.137 5.091 -0.708 1.00 0.00 N ATOM 0 H ARG A 32 -0.896 7.354 0.562 1.00 0.00 H new ATOM 0 HA ARG A 32 0.905 7.308 -1.550 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.136 7.283 -1.717 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.024 6.649 -2.914 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.723 5.607 -0.112 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.154 5.101 -0.987 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.466 3.447 -1.463 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.621 4.408 -2.920 1.00 0.00 H new ATOM 0 HE ARG A 32 1.602 5.082 -2.657 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.305 4.122 0.529 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.849 4.354 1.356 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.559 5.374 -1.592 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.701 5.068 0.142 1.00 0.00 H new ATOM 1162 N LYS A 33 0.946 9.618 -2.450 1.00 0.00 N ATOM 1163 CA LYS A 33 0.976 10.906 -3.123 1.00 0.00 C ATOM 1164 C LYS A 33 1.857 10.804 -4.370 1.00 0.00 C ATOM 1165 O LYS A 33 2.340 9.724 -4.706 1.00 0.00 O ATOM 1166 CB LYS A 33 1.407 12.008 -2.153 1.00 0.00 C ATOM 1167 CG LYS A 33 0.196 12.618 -1.443 1.00 0.00 C ATOM 1168 CD LYS A 33 0.608 13.271 -0.122 1.00 0.00 C ATOM 1169 CE LYS A 33 -0.154 14.578 0.103 1.00 0.00 C ATOM 1170 NZ LYS A 33 0.735 15.740 -0.120 1.00 0.00 N ATOM 0 H LYS A 33 1.855 9.165 -2.354 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.023 11.184 -3.460 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.097 11.599 -1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.945 12.785 -2.696 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.273 13.360 -2.089 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.548 11.844 -1.254 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.414 12.586 0.703 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.680 13.467 -0.128 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.007 14.630 -0.574 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.550 14.605 1.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.203 16.620 0.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.535 15.697 0.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.093 15.721 -1.096 1.00 0.00 H new ATOM 1183 N LYS A 34 2.041 11.944 -5.020 1.00 0.00 N ATOM 1184 CA LYS A 34 2.856 11.996 -6.223 1.00 0.00 C ATOM 1185 C LYS A 34 3.633 13.314 -6.248 1.00 0.00 C ATOM 1186 O LYS A 34 3.599 14.040 -7.240 1.00 0.00 O ATOM 1187 CB LYS A 34 1.993 11.767 -7.465 1.00 0.00 C ATOM 1188 CG LYS A 34 2.850 11.328 -8.653 1.00 0.00 C ATOM 1189 CD LYS A 34 2.118 10.286 -9.502 1.00 0.00 C ATOM 1190 CE LYS A 34 1.883 10.802 -10.922 1.00 0.00 C ATOM 1191 NZ LYS A 34 0.457 11.148 -11.119 1.00 0.00 N ATOM 0 H LYS A 34 1.640 12.838 -4.737 1.00 0.00 H new ATOM 0 HA LYS A 34 3.591 11.191 -6.222 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.240 11.007 -7.254 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.459 12.684 -7.716 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.097 12.194 -9.267 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.791 10.913 -8.293 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.702 9.366 -9.538 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.163 10.040 -9.038 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.504 11.679 -11.104 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.182 10.043 -11.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.315 11.497 -12.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.130 10.303 -10.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.182 11.888 -10.441 1.00 0.00 H new ATOM 1204 N GLY A 35 4.318 13.582 -5.145 1.00 0.00 N ATOM 1205 CA GLY A 35 5.104 14.798 -5.029 1.00 0.00 C ATOM 1206 C GLY A 35 6.515 14.595 -5.583 1.00 0.00 C ATOM 1207 O GLY A 35 7.250 13.726 -5.115 1.00 0.00 O ATOM 0 H GLY A 35 4.344 12.977 -4.324 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.611 15.607 -5.568 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.160 15.100 -3.983 1.00 0.00 H new ATOM 1211 N CYS A 36 6.852 15.410 -6.571 1.00 0.00 N ATOM 1212 CA CYS A 36 8.162 15.331 -7.194 1.00 0.00 C ATOM 1213 C CYS A 36 9.222 15.554 -6.113 1.00 0.00 C ATOM 1214 O CYS A 36 9.244 16.600 -5.466 1.00 0.00 O ATOM 1215 CB CYS A 36 8.303 16.329 -8.345 1.00 0.00 C ATOM 1216 SG CYS A 36 10.041 16.382 -8.917 1.00 0.00 S ATOM 0 H CYS A 36 6.240 16.129 -6.956 1.00 0.00 H new ATOM 0 HA CYS A 36 8.297 14.344 -7.637 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.649 16.042 -9.168 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.988 17.320 -8.019 1.00 0.00 H new ATOM 1221 N TRP A 37 10.075 14.553 -5.950 1.00 0.00 N ATOM 1222 CA TRP A 37 11.134 14.627 -4.958 1.00 0.00 C ATOM 1223 C TRP A 37 12.318 15.367 -5.585 1.00 0.00 C ATOM 1224 O TRP A 37 13.473 15.015 -5.345 1.00 0.00 O ATOM 1225 CB TRP A 37 11.504 13.233 -4.446 1.00 0.00 C ATOM 1226 CG TRP A 37 10.564 12.124 -4.925 1.00 0.00 C ATOM 1227 CD1 TRP A 37 9.311 11.874 -4.521 1.00 0.00 C ATOM 1228 CD2 TRP A 37 10.855 11.120 -5.920 1.00 0.00 C ATOM 1229 NE1 TRP A 37 8.775 10.787 -5.181 1.00 0.00 N ATOM 1230 CE2 TRP A 37 9.744 10.314 -6.059 1.00 0.00 C ATOM 1231 CE3 TRP A 37 12.018 10.901 -6.678 1.00 0.00 C ATOM 1232 CZ2 TRP A 37 9.686 9.234 -6.947 1.00 0.00 C ATOM 1233 CZ3 TRP A 37 11.946 9.817 -7.562 1.00 0.00 C ATOM 1234 CH2 TRP A 37 10.834 8.995 -7.713 1.00 0.00 C ATOM 0 H TRP A 37 10.054 13.687 -6.488 1.00 0.00 H new ATOM 0 HA TRP A 37 10.802 15.181 -4.080 1.00 0.00 H new ATOM 0 HB2 TRP A 37 12.519 12.998 -4.765 1.00 0.00 H new ATOM 0 HB3 TRP A 37 11.508 13.247 -3.356 1.00 0.00 H new ATOM 0 HD1 TRP A 37 8.787 12.450 -3.773 1.00 0.00 H new ATOM 0 HE1 TRP A 37 7.840 10.401 -5.049 1.00 0.00 H new ATOM 0 HE3 TRP A 37 12.898 11.520 -6.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 8.804 8.618 -7.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.814 9.605 -8.168 1.00 0.00 H new ATOM 0 HH2 TRP A 37 10.856 8.177 -8.417 1.00 0.00 H new ATOM 1245 N LYS A 38 11.990 16.378 -6.375 1.00 0.00 N ATOM 1246 CA LYS A 38 13.012 17.171 -7.039 1.00 0.00 C ATOM 1247 C LYS A 38 12.700 18.657 -6.850 1.00 0.00 C ATOM 1248 O LYS A 38 13.571 19.432 -6.455 1.00 0.00 O ATOM 1249 CB LYS A 38 13.147 16.753 -8.504 1.00 0.00 C ATOM 1250 CG LYS A 38 14.614 16.526 -8.875 1.00 0.00 C ATOM 1251 CD LYS A 38 15.173 15.287 -8.172 1.00 0.00 C ATOM 1252 CE LYS A 38 16.575 14.950 -8.685 1.00 0.00 C ATOM 1253 NZ LYS A 38 17.536 14.885 -7.562 1.00 0.00 N ATOM 0 H LYS A 38 11.032 16.667 -6.571 1.00 0.00 H new ATOM 0 HA LYS A 38 13.988 16.989 -6.589 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.578 15.840 -8.680 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.720 17.523 -9.147 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.706 16.408 -9.955 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.202 17.401 -8.599 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.207 15.460 -7.096 1.00 0.00 H new ATOM 0 HD3 LYS A 38 14.508 14.439 -8.338 1.00 0.00 H new ATOM 0 HE2 LYS A 38 16.556 13.996 -9.211 1.00 0.00 H new ATOM 0 HE3 LYS A 38 16.897 15.704 -9.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.482 14.655 -7.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.566 15.805 -7.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.236 14.149 -6.891 1.00 0.00 H new ATOM 1266 N CYS A 39 11.457 19.010 -7.139 1.00 0.00 N ATOM 1267 CA CYS A 39 11.020 20.390 -7.007 1.00 0.00 C ATOM 1268 C CYS A 39 10.058 20.476 -5.820 1.00 0.00 C ATOM 1269 O CYS A 39 9.989 21.502 -5.146 1.00 0.00 O ATOM 1270 CB CYS A 39 10.383 20.908 -8.297 1.00 0.00 C ATOM 1271 SG CYS A 39 9.070 19.761 -8.852 1.00 0.00 S ATOM 0 H CYS A 39 10.738 18.364 -7.464 1.00 0.00 H new ATOM 0 HA CYS A 39 11.882 21.032 -6.823 1.00 0.00 H new ATOM 0 HB2 CYS A 39 9.964 21.901 -8.132 1.00 0.00 H new ATOM 0 HB3 CYS A 39 11.142 21.007 -9.073 1.00 0.00 H new ATOM 1276 N GLY A 40 9.338 19.385 -5.602 1.00 0.00 N ATOM 1277 CA GLY A 40 8.382 19.325 -4.509 1.00 0.00 C ATOM 1278 C GLY A 40 6.971 19.659 -4.997 1.00 0.00 C ATOM 1279 O GLY A 40 6.112 20.044 -4.204 1.00 0.00 O ATOM 0 H GLY A 40 9.398 18.536 -6.164 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.392 18.329 -4.067 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.675 20.024 -3.726 1.00 0.00 H new ATOM 1283 N LYS A 41 6.775 19.499 -6.297 1.00 0.00 N ATOM 1284 CA LYS A 41 5.482 19.778 -6.899 1.00 0.00 C ATOM 1285 C LYS A 41 4.688 18.476 -7.019 1.00 0.00 C ATOM 1286 O LYS A 41 5.175 17.498 -7.582 1.00 0.00 O ATOM 1287 CB LYS A 41 5.658 20.516 -8.227 1.00 0.00 C ATOM 1288 CG LYS A 41 4.864 21.825 -8.238 1.00 0.00 C ATOM 1289 CD LYS A 41 5.106 22.602 -9.532 1.00 0.00 C ATOM 1290 CE LYS A 41 3.795 23.158 -10.092 1.00 0.00 C ATOM 1291 NZ LYS A 41 4.064 24.223 -11.083 1.00 0.00 N ATOM 0 H LYS A 41 7.490 19.180 -6.951 1.00 0.00 H new ATOM 0 HA LYS A 41 4.902 20.447 -6.263 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.715 20.726 -8.393 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.327 19.879 -9.047 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.801 21.610 -8.132 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.152 22.437 -7.383 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.801 23.420 -9.344 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.573 21.950 -10.270 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.223 22.356 -10.558 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.185 23.554 -9.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.163 24.589 -11.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.591 24.996 -10.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.627 23.834 -11.866 1.00 0.00 H new ATOM 1304 N GLU A 42 3.478 18.507 -6.481 1.00 0.00 N ATOM 1305 CA GLU A 42 2.611 17.341 -6.521 1.00 0.00 C ATOM 1306 C GLU A 42 1.823 17.311 -7.832 1.00 0.00 C ATOM 1307 O GLU A 42 1.117 18.264 -8.158 1.00 0.00 O ATOM 1308 CB GLU A 42 1.671 17.315 -5.315 1.00 0.00 C ATOM 1309 CG GLU A 42 0.696 18.492 -5.355 1.00 0.00 C ATOM 1310 CD GLU A 42 -0.198 18.507 -4.112 1.00 0.00 C ATOM 1311 OE1 GLU A 42 -1.314 17.969 -4.145 1.00 0.00 O ATOM 1312 OE2 GLU A 42 0.307 19.105 -3.086 1.00 0.00 O ATOM 0 H GLU A 42 3.077 19.321 -6.015 1.00 0.00 H new ATOM 0 HA GLU A 42 3.233 16.447 -6.473 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.115 16.378 -5.303 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.254 17.352 -4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.252 19.427 -5.419 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.078 18.427 -6.251 1.00 0.00 H new ATOM 1320 N GLY A 43 1.970 16.206 -8.549 1.00 0.00 N ATOM 1321 CA GLY A 43 1.280 16.038 -9.816 1.00 0.00 C ATOM 1322 C GLY A 43 2.193 15.384 -10.855 1.00 0.00 C ATOM 1323 O GLY A 43 1.793 14.436 -11.530 1.00 0.00 O ATOM 0 H GLY A 43 2.557 15.418 -8.276 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.390 15.425 -9.671 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.943 17.008 -10.182 1.00 0.00 H new ATOM 1327 N HIS A 44 3.402 15.918 -10.953 1.00 0.00 N ATOM 1328 CA HIS A 44 4.375 15.399 -11.899 1.00 0.00 C ATOM 1329 C HIS A 44 5.408 14.549 -11.157 1.00 0.00 C ATOM 1330 O HIS A 44 5.357 14.431 -9.933 1.00 0.00 O ATOM 1331 CB HIS A 44 5.010 16.534 -12.704 1.00 0.00 C ATOM 1332 CG HIS A 44 6.037 17.331 -11.938 1.00 0.00 C ATOM 1333 ND1 HIS A 44 5.747 18.541 -11.331 1.00 0.00 N ATOM 1334 CD2 HIS A 44 7.354 17.079 -11.686 1.00 0.00 C ATOM 1335 CE1 HIS A 44 6.848 18.988 -10.743 1.00 0.00 C ATOM 1336 NE2 HIS A 44 7.843 18.081 -10.964 1.00 0.00 N ATOM 0 H HIS A 44 3.730 16.705 -10.393 1.00 0.00 H new ATOM 0 HA HIS A 44 3.876 14.754 -12.622 1.00 0.00 H new ATOM 0 HB2 HIS A 44 5.480 16.115 -13.594 1.00 0.00 H new ATOM 0 HB3 HIS A 44 4.224 17.207 -13.046 1.00 0.00 H new ATOM 0 HD1 HIS A 44 4.841 19.009 -11.335 1.00 0.00 H new ATOM 0 HD2 HIS A 44 7.906 16.212 -12.017 1.00 0.00 H new ATOM 0 HE1 HIS A 44 6.941 19.909 -10.186 1.00 0.00 H new ATOM 1344 N GLN A 45 6.322 13.979 -11.928 1.00 0.00 N ATOM 1345 CA GLN A 45 7.366 13.143 -11.359 1.00 0.00 C ATOM 1346 C GLN A 45 8.744 13.628 -11.817 1.00 0.00 C ATOM 1347 O GLN A 45 8.852 14.355 -12.804 1.00 0.00 O ATOM 1348 CB GLN A 45 7.153 11.673 -11.726 1.00 0.00 C ATOM 1349 CG GLN A 45 7.352 11.448 -13.226 1.00 0.00 C ATOM 1350 CD GLN A 45 6.217 10.604 -13.810 1.00 0.00 C ATOM 1351 OE1 GLN A 45 5.092 11.051 -13.960 1.00 0.00 O ATOM 1352 NE2 GLN A 45 6.574 9.364 -14.129 1.00 0.00 N ATOM 0 H GLN A 45 6.362 14.079 -12.942 1.00 0.00 H new ATOM 0 HA GLN A 45 7.316 13.223 -10.273 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.850 11.050 -11.166 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.148 11.365 -11.439 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.396 12.409 -13.739 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.306 10.950 -13.399 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.534 9.055 -13.977 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.888 8.722 -14.526 1.00 0.00 H new ATOM 1361 N MET A 46 9.759 13.208 -11.079 1.00 0.00 N ATOM 1362 CA MET A 46 11.125 13.590 -11.398 1.00 0.00 C ATOM 1363 C MET A 46 11.441 13.317 -12.869 1.00 0.00 C ATOM 1364 O MET A 46 12.094 14.126 -13.527 1.00 0.00 O ATOM 1365 CB MET A 46 12.094 12.804 -10.512 1.00 0.00 C ATOM 1366 CG MET A 46 13.546 13.160 -10.839 1.00 0.00 C ATOM 1367 SD MET A 46 14.605 11.760 -10.520 1.00 0.00 S ATOM 1368 CE MET A 46 14.443 10.889 -12.069 1.00 0.00 C ATOM 0 H MET A 46 9.664 12.607 -10.261 1.00 0.00 H new ATOM 0 HA MET A 46 11.237 14.659 -11.215 1.00 0.00 H new ATOM 0 HB2 MET A 46 11.890 13.020 -9.463 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.937 11.735 -10.654 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.629 13.459 -11.884 1.00 0.00 H new ATOM 0 HG3 MET A 46 13.864 14.012 -10.238 1.00 0.00 H new ATOM 0 HE1 MET A 46 15.046 9.981 -12.041 1.00 0.00 H new ATOM 0 HE2 MET A 46 13.398 10.626 -12.231 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.786 11.527 -12.883 1.00 0.00 H new ATOM 1378 N LYS A 47 10.963 12.176 -13.343 1.00 0.00 N ATOM 1379 CA LYS A 47 11.187 11.788 -14.725 1.00 0.00 C ATOM 1380 C LYS A 47 10.651 12.880 -15.652 1.00 0.00 C ATOM 1381 O LYS A 47 11.256 13.178 -16.680 1.00 0.00 O ATOM 1382 CB LYS A 47 10.591 10.405 -14.996 1.00 0.00 C ATOM 1383 CG LYS A 47 11.124 9.825 -16.308 1.00 0.00 C ATOM 1384 CD LYS A 47 11.113 8.295 -16.275 1.00 0.00 C ATOM 1385 CE LYS A 47 10.040 7.734 -17.211 1.00 0.00 C ATOM 1386 NZ LYS A 47 10.615 7.442 -18.543 1.00 0.00 N ATOM 0 H LYS A 47 10.422 11.508 -12.795 1.00 0.00 H new ATOM 0 HA LYS A 47 12.254 11.696 -14.926 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.833 9.733 -14.172 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.504 10.476 -15.041 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.515 10.179 -17.140 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.139 10.181 -16.482 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.091 7.914 -16.568 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.929 7.951 -15.257 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.616 6.825 -16.784 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.224 8.450 -17.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.874 7.062 -19.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.998 8.317 -18.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.378 6.742 -18.446 1.00 0.00 H new ATOM 1399 N ASP A 48 9.523 13.448 -15.253 1.00 0.00 N ATOM 1400 CA ASP A 48 8.899 14.503 -16.034 1.00 0.00 C ATOM 1401 C ASP A 48 8.952 15.814 -15.249 1.00 0.00 C ATOM 1402 O ASP A 48 8.045 16.639 -15.347 1.00 0.00 O ATOM 1403 CB ASP A 48 7.430 14.181 -16.320 1.00 0.00 C ATOM 1404 CG ASP A 48 7.017 14.295 -17.788 1.00 0.00 C ATOM 1405 OD1 ASP A 48 6.482 13.344 -18.377 1.00 0.00 O ATOM 1406 OD2 ASP A 48 7.268 15.435 -18.338 1.00 0.00 O ATOM 0 H ASP A 48 9.025 13.198 -14.399 1.00 0.00 H new ATOM 0 HA ASP A 48 9.440 14.589 -16.977 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.223 13.167 -15.978 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.805 14.851 -15.729 1.00 0.00 H new ATOM 1412 N CYS A 49 10.024 15.966 -14.484 1.00 0.00 N ATOM 1413 CA CYS A 49 10.207 17.163 -13.681 1.00 0.00 C ATOM 1414 C CYS A 49 10.008 18.383 -14.584 1.00 0.00 C ATOM 1415 O CYS A 49 10.816 18.637 -15.476 1.00 0.00 O ATOM 1416 CB CYS A 49 11.572 17.180 -12.992 1.00 0.00 C ATOM 1417 SG CYS A 49 11.649 18.553 -11.786 1.00 0.00 S ATOM 0 H CYS A 49 10.774 15.280 -14.404 1.00 0.00 H new ATOM 0 HA CYS A 49 9.469 17.181 -12.879 1.00 0.00 H new ATOM 0 HB2 CYS A 49 11.744 16.230 -12.485 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.362 17.293 -13.735 1.00 0.00 H new ATOM 1422 N THR A 50 8.929 19.104 -14.322 1.00 0.00 N ATOM 1423 CA THR A 50 8.614 20.290 -15.101 1.00 0.00 C ATOM 1424 C THR A 50 9.481 21.468 -14.652 1.00 0.00 C ATOM 1425 O THR A 50 9.342 22.577 -15.163 1.00 0.00 O ATOM 1426 CB THR A 50 7.113 20.557 -14.970 1.00 0.00 C ATOM 1427 OG1 THR A 50 6.971 21.112 -13.665 1.00 0.00 O ATOM 1428 CG2 THR A 50 6.291 19.268 -14.918 1.00 0.00 C ATOM 0 H THR A 50 8.261 18.890 -13.581 1.00 0.00 H new ATOM 0 HA THR A 50 8.842 20.142 -16.157 1.00 0.00 H new ATOM 0 HB THR A 50 6.779 21.167 -15.809 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.027 21.316 -13.497 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.233 19.514 -14.825 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.451 18.697 -15.833 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.602 18.673 -14.059 1.00 0.00 H new ATOM 1436 N GLU A 51 10.360 21.186 -13.700 1.00 0.00 N ATOM 1437 CA GLU A 51 11.249 22.208 -13.177 1.00 0.00 C ATOM 1438 C GLU A 51 12.709 21.778 -13.344 1.00 0.00 C ATOM 1439 O GLU A 51 13.292 21.956 -14.412 1.00 0.00 O ATOM 1440 CB GLU A 51 10.933 22.513 -11.711 1.00 0.00 C ATOM 1441 CG GLU A 51 9.860 23.596 -11.595 1.00 0.00 C ATOM 1442 CD GLU A 51 10.426 24.863 -10.950 1.00 0.00 C ATOM 1443 OE1 GLU A 51 10.985 25.719 -11.652 1.00 0.00 O ATOM 1444 OE2 GLU A 51 10.269 24.940 -9.672 1.00 0.00 O ATOM 0 H GLU A 51 10.475 20.264 -13.278 1.00 0.00 H new ATOM 0 HA GLU A 51 11.092 23.124 -13.747 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.594 21.605 -11.212 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.839 22.838 -11.200 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.468 23.832 -12.584 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.025 23.223 -11.001 1.00 0.00 H new ATOM 1452 N ARG A 52 13.254 21.220 -12.274 1.00 0.00 N ATOM 1453 CA ARG A 52 14.633 20.763 -12.290 1.00 0.00 C ATOM 1454 C ARG A 52 15.589 21.958 -12.278 1.00 0.00 C ATOM 1455 O ARG A 52 15.794 22.603 -13.305 1.00 0.00 O ATOM 1456 CB ARG A 52 14.916 19.905 -13.525 1.00 0.00 C ATOM 1457 CG ARG A 52 16.003 18.868 -13.235 1.00 0.00 C ATOM 1458 CD ARG A 52 17.367 19.538 -13.058 1.00 0.00 C ATOM 1459 NE ARG A 52 18.435 18.515 -13.031 1.00 0.00 N ATOM 1460 CZ ARG A 52 19.064 18.048 -14.131 1.00 0.00 C ATOM 1461 NH1 ARG A 52 18.736 18.510 -15.356 1.00 0.00 N ATOM 1462 NH2 ARG A 52 20.004 17.132 -13.990 1.00 0.00 N ATOM 0 H ARG A 52 12.766 21.074 -11.390 1.00 0.00 H new ATOM 0 HA ARG A 52 14.791 20.158 -11.397 1.00 0.00 H new ATOM 0 HB2 ARG A 52 14.002 19.401 -13.839 1.00 0.00 H new ATOM 0 HB3 ARG A 52 15.228 20.543 -14.352 1.00 0.00 H new ATOM 0 HG2 ARG A 52 15.748 18.311 -12.334 1.00 0.00 H new ATOM 0 HG3 ARG A 52 16.051 18.148 -14.052 1.00 0.00 H new ATOM 0 HD2 ARG A 52 17.545 20.240 -13.873 1.00 0.00 H new ATOM 0 HD3 ARG A 52 17.381 20.114 -12.133 1.00 0.00 H new ATOM 0 HE ARG A 52 18.714 18.139 -12.125 1.00 0.00 H new ATOM 0 HH11 ARG A 52 18.008 19.217 -15.456 1.00 0.00 H new ATOM 0 HH12 ARG A 52 19.216 18.152 -16.182 1.00 0.00 H new ATOM 0 HH21 ARG A 52 20.245 16.788 -13.061 1.00 0.00 H new ATOM 0 HH22 ARG A 52 20.489 16.768 -14.810 1.00 0.00 H new ATOM 1475 N GLN A 53 16.147 22.218 -11.105 1.00 0.00 N ATOM 1476 CA GLN A 53 17.076 23.323 -10.945 1.00 0.00 C ATOM 1477 C GLN A 53 17.728 23.275 -9.563 1.00 0.00 C ATOM 1478 O GLN A 53 17.111 22.826 -8.597 1.00 0.00 O ATOM 1479 CB GLN A 53 16.376 24.664 -11.175 1.00 0.00 C ATOM 1480 CG GLN A 53 15.335 24.934 -10.086 1.00 0.00 C ATOM 1481 CD GLN A 53 15.607 26.266 -9.384 1.00 0.00 C ATOM 1482 OE1 GLN A 53 16.477 26.385 -8.539 1.00 0.00 O ATOM 1483 NE2 GLN A 53 14.816 27.258 -9.782 1.00 0.00 N ATOM 0 H GLN A 53 15.973 21.681 -10.255 1.00 0.00 H new ATOM 0 HA GLN A 53 17.859 23.225 -11.697 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.114 25.466 -11.185 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.893 24.663 -12.152 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.338 24.948 -10.527 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.349 24.125 -9.356 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.106 27.090 -10.495 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.919 28.187 -9.374 1.00 0.00 H new ATOM 1492 N ALA A 54 18.965 23.744 -9.510 1.00 0.00 N ATOM 1493 CA ALA A 54 19.708 23.760 -8.261 1.00 0.00 C ATOM 1494 C ALA A 54 19.389 25.047 -7.500 1.00 0.00 C ATOM 1495 O ALA A 54 19.140 26.087 -8.108 1.00 0.00 O ATOM 1496 CB ALA A 54 21.202 23.609 -8.553 1.00 0.00 C ATOM 0 H ALA A 54 19.473 24.116 -10.313 1.00 0.00 H new ATOM 0 HA ALA A 54 19.414 22.922 -7.629 1.00 0.00 H new ATOM 0 HB1 ALA A 54 21.759 23.621 -7.616 1.00 0.00 H new ATOM 0 HB2 ALA A 54 21.378 22.665 -9.068 1.00 0.00 H new ATOM 0 HB3 ALA A 54 21.535 24.434 -9.183 1.00 0.00 H new ATOM 1502 N ASN A 55 19.407 24.937 -6.179 1.00 0.00 N ATOM 1503 CA ASN A 55 19.123 26.080 -5.328 1.00 0.00 C ATOM 1504 C ASN A 55 20.340 26.370 -4.449 1.00 0.00 C ATOM 1505 O ASN A 55 21.436 25.879 -4.717 1.00 0.00 O ATOM 1506 CB ASN A 55 17.931 25.800 -4.410 1.00 0.00 C ATOM 1507 CG ASN A 55 18.166 24.539 -3.576 1.00 0.00 C ATOM 1508 OD1 ASN A 55 18.892 24.539 -2.594 1.00 0.00 O ATOM 1509 ND2 ASN A 55 17.515 23.468 -4.019 1.00 0.00 N ATOM 0 H ASN A 55 19.614 24.073 -5.677 1.00 0.00 H new ATOM 0 HA ASN A 55 18.891 26.930 -5.970 1.00 0.00 H new ATOM 0 HB2 ASN A 55 17.768 26.652 -3.750 1.00 0.00 H new ATOM 0 HB3 ASN A 55 17.027 25.682 -5.007 1.00 0.00 H new ATOM 0 HD21 ASN A 55 17.607 22.577 -3.531 1.00 0.00 H new ATOM 0 HD22 ASN A 55 16.924 23.537 -4.847 1.00 0.00 H new TER 1516 ASN A 55 HETATM 1517 ZN ZN A 56 8.943 6.783 1.384 1.00 0.00 ZN HETATM 1518 ZN ZN A 57 9.831 18.243 -10.411 1.00 0.00 ZN