USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 347 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 C O2' : rot 68:sc= 0.0826 USER MOD Set 1.2: B 7 HIS :FLIP no HE2:sc= -1.84 F(o=-2.3,f=-1.8) USER MOD Single : A 4 G O2' : rot 180:sc=-0.00952 USER MOD Single : A 4 G O5' : rot 180:sc= 0 USER MOD Single : A 5 C O2' : rot -17:sc= 0.0428 USER MOD Single : A 6 G O2' : rot -15:sc= 0.0594 USER MOD Single : A 7 C O2' : rot -120:sc= 0.875 USER MOD Single : A 8 U O2' : rot -13:sc= 0.13 USER MOD Single : A 9 G O2' : rot -17:sc= 0.042 USER MOD Single : A 10 A O2' : rot -109:sc= 0.0245 USER MOD Single : A 12 A O2' : rot -17:sc= 0.0269 USER MOD Single : A 13 A O2' : rot -17:sc= 0.0335 USER MOD Single : A 14 A O2' : rot 180:sc= 0 USER MOD Single : A 15 G O2' : rot -15:sc= 0.0426 USER MOD Single : A 16 C O2' : rot -17:sc= 0.00879 USER MOD Single : A 17 G O2' : rot -20:sc= 0.0368 USER MOD Single : A 18 C O2' : rot -23:sc= 0.0472 USER MOD Single : A 18 C O3' : rot 180:sc= 0.0541 USER MOD Single : B 1 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : B 1 ASN N :NH3+ 180:sc= -0.0156 (180deg=-0.0156) USER MOD Single : B 3 LYS NZ :NH3+ -143:sc= 0.715 (180deg=0.134) USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 THR OG1 : rot 35:sc= -0.517 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 4 9.787 7.169 7.361 1.00 0.00 O ATOM 2 C5' G A 4 10.827 6.276 6.980 1.00 0.00 C ATOM 3 C4' G A 4 11.542 6.800 5.725 1.00 0.00 C ATOM 4 O4' G A 4 12.618 5.897 5.346 1.00 0.00 O ATOM 5 C3' G A 4 10.665 6.845 4.470 1.00 0.00 C ATOM 6 O3' G A 4 9.847 8.022 4.392 1.00 0.00 O ATOM 7 C2' G A 4 11.678 6.736 3.336 1.00 0.00 C ATOM 8 O2' G A 4 12.082 7.958 2.720 1.00 0.00 O ATOM 9 C1' G A 4 12.869 6.013 3.935 1.00 0.00 C ATOM 10 N9 G A 4 13.145 4.701 3.305 1.00 0.00 N ATOM 11 C8 G A 4 12.997 3.486 3.858 1.00 0.00 C ATOM 12 N7 G A 4 13.319 2.480 3.084 1.00 0.00 N ATOM 13 C5 G A 4 13.715 3.072 1.912 1.00 0.00 C ATOM 14 C6 G A 4 14.162 2.463 0.734 1.00 0.00 C ATOM 15 O6 G A 4 14.283 1.245 0.567 1.00 0.00 O ATOM 16 N1 G A 4 14.474 3.428 -0.269 1.00 0.00 N ATOM 17 C2 G A 4 14.364 4.825 -0.137 1.00 0.00 C ATOM 18 N2 G A 4 14.731 5.486 -1.271 1.00 0.00 N ATOM 19 N3 G A 4 13.926 5.373 1.030 1.00 0.00 N ATOM 20 C4 G A 4 13.621 4.461 2.001 1.00 0.00 C ATOM 0 H5' G A 4 10.414 5.286 6.786 1.00 0.00 H new ATOM 0 H5'' G A 4 11.541 6.168 7.796 1.00 0.00 H new ATOM 0 H4' G A 4 11.863 7.803 6.008 1.00 0.00 H new ATOM 0 H3' G A 4 9.924 6.046 4.447 1.00 0.00 H new ATOM 0 H2' G A 4 11.205 6.208 2.508 1.00 0.00 H new ATOM 0 HO2' G A 4 12.731 7.768 2.011 1.00 0.00 H new ATOM 0 HO5' G A 4 9.337 6.825 8.161 1.00 0.00 H new ATOM 0 H1' G A 4 13.776 6.587 3.746 1.00 0.00 H new ATOM 0 H8 G A 4 12.639 3.349 4.867 1.00 0.00 H new ATOM 0 H1 G A 4 14.808 3.073 -1.165 1.00 0.00 H new ATOM 0 H21 G A 4 14.695 6.505 -1.302 1.00 0.00 H new ATOM 0 H22 G A 4 15.041 4.962 -2.089 1.00 0.00 H new ATOM 33 P C A 5 8.489 8.080 3.561 1.00 0.00 P ATOM 34 OP1 C A 5 7.888 9.422 3.746 1.00 0.00 O ATOM 35 OP2 C A 5 7.641 6.926 3.941 1.00 0.00 O ATOM 36 O5' C A 5 8.941 7.903 2.040 1.00 0.00 O ATOM 37 C5' C A 5 9.388 8.995 1.238 1.00 0.00 C ATOM 38 C4' C A 5 9.706 8.619 -0.240 1.00 0.00 C ATOM 39 O4' C A 5 10.931 7.826 -0.403 1.00 0.00 O ATOM 40 C3' C A 5 8.619 7.839 -0.978 1.00 0.00 C ATOM 41 O3' C A 5 7.584 8.711 -1.433 1.00 0.00 O ATOM 42 C2' C A 5 9.393 7.119 -2.094 1.00 0.00 C ATOM 43 O2' C A 5 9.555 7.907 -3.271 1.00 0.00 O ATOM 44 C1' C A 5 10.744 6.810 -1.425 1.00 0.00 C ATOM 45 N1 C A 5 10.829 5.433 -0.828 1.00 0.00 N ATOM 46 C2 C A 5 11.215 4.312 -1.648 1.00 0.00 C ATOM 47 O2 C A 5 11.468 4.427 -2.862 1.00 0.00 O ATOM 48 N3 C A 5 11.298 3.075 -1.048 1.00 0.00 N ATOM 49 C4 C A 5 11.032 2.895 0.271 1.00 0.00 C ATOM 50 N4 C A 5 11.106 1.658 0.840 1.00 0.00 N ATOM 51 C5 C A 5 10.652 4.025 1.086 1.00 0.00 C ATOM 52 C6 C A 5 10.564 5.223 0.502 1.00 0.00 C ATOM 0 H5' C A 5 10.282 9.422 1.692 1.00 0.00 H new ATOM 0 H5'' C A 5 8.624 9.773 1.246 1.00 0.00 H new ATOM 0 H4' C A 5 9.806 9.613 -0.676 1.00 0.00 H new ATOM 0 H3' C A 5 8.080 7.121 -0.360 1.00 0.00 H new ATOM 0 H2' C A 5 8.867 6.235 -2.455 1.00 0.00 H new ATOM 0 HO2' C A 5 8.916 8.650 -3.258 1.00 0.00 H new ATOM 0 H1' C A 5 11.530 6.828 -2.180 1.00 0.00 H new ATOM 0 H41 C A 5 10.903 1.540 1.833 1.00 0.00 H new ATOM 0 H42 C A 5 11.364 0.850 0.273 1.00 0.00 H new ATOM 0 H5 C A 5 10.445 3.905 2.139 1.00 0.00 H new ATOM 0 H6 C A 5 10.270 6.068 1.106 1.00 0.00 H new ATOM 64 P G A 6 6.128 8.199 -1.797 1.00 0.00 P ATOM 65 OP1 G A 6 5.255 9.382 -1.944 1.00 0.00 O ATOM 66 OP2 G A 6 5.696 7.167 -0.822 1.00 0.00 O ATOM 67 O5' G A 6 6.356 7.579 -3.239 1.00 0.00 O ATOM 68 C5' G A 6 5.821 6.319 -3.609 1.00 0.00 C ATOM 69 C4' G A 6 6.575 5.769 -4.831 1.00 0.00 C ATOM 70 O4' G A 6 7.901 5.282 -4.452 1.00 0.00 O ATOM 71 C3' G A 6 5.884 4.567 -5.471 1.00 0.00 C ATOM 72 O3' G A 6 4.993 4.997 -6.504 1.00 0.00 O ATOM 73 C2' G A 6 7.031 3.692 -5.991 1.00 0.00 C ATOM 74 O2' G A 6 7.511 4.077 -7.281 1.00 0.00 O ATOM 75 C1' G A 6 8.113 3.947 -4.931 1.00 0.00 C ATOM 76 N9 G A 6 8.276 2.986 -3.801 1.00 0.00 N ATOM 77 C8 G A 6 8.108 3.200 -2.467 1.00 0.00 C ATOM 78 N7 G A 6 8.369 2.169 -1.703 1.00 0.00 N ATOM 79 C5 G A 6 8.740 1.185 -2.578 1.00 0.00 C ATOM 80 C6 G A 6 9.126 -0.130 -2.296 1.00 0.00 C ATOM 81 O6 G A 6 9.209 -0.626 -1.168 1.00 0.00 O ATOM 82 N1 G A 6 9.431 -0.849 -3.487 1.00 0.00 N ATOM 83 C2 G A 6 9.368 -0.344 -4.800 1.00 0.00 C ATOM 84 N2 G A 6 9.704 -1.264 -5.747 1.00 0.00 N ATOM 85 N3 G A 6 8.991 0.942 -5.025 1.00 0.00 N ATOM 86 C4 G A 6 8.694 1.646 -3.897 1.00 0.00 C ATOM 0 H5' G A 6 4.760 6.418 -3.840 1.00 0.00 H new ATOM 0 H5'' G A 6 5.902 5.621 -2.776 1.00 0.00 H new ATOM 0 H4' G A 6 6.615 6.606 -5.528 1.00 0.00 H new ATOM 0 H3' G A 6 5.259 4.007 -4.776 1.00 0.00 H new ATOM 0 H2' G A 6 6.729 2.653 -6.122 1.00 0.00 H new ATOM 0 HO2' G A 6 6.863 4.678 -7.705 1.00 0.00 H new ATOM 0 H1' G A 6 9.062 3.792 -5.444 1.00 0.00 H new ATOM 0 H8 G A 6 7.783 4.150 -2.068 1.00 0.00 H new ATOM 0 H1 G A 6 9.722 -1.821 -3.379 1.00 0.00 H new ATOM 0 H21 G A 6 9.693 -1.007 -6.734 1.00 0.00 H new ATOM 0 H22 G A 6 9.966 -2.210 -5.469 1.00 0.00 H new ATOM 98 P C A 7 3.556 4.355 -6.683 1.00 0.00 P ATOM 99 OP1 C A 7 2.915 4.944 -7.882 1.00 0.00 O ATOM 100 OP2 C A 7 2.808 4.460 -5.407 1.00 0.00 O ATOM 101 O5' C A 7 3.904 2.838 -6.940 1.00 0.00 O ATOM 102 C5' C A 7 4.390 2.324 -8.176 1.00 0.00 C ATOM 103 C4' C A 7 4.652 0.794 -8.110 1.00 0.00 C ATOM 104 O4' C A 7 5.880 0.473 -7.363 1.00 0.00 O ATOM 105 C3' C A 7 3.557 0.029 -7.370 1.00 0.00 C ATOM 106 O3' C A 7 2.430 -0.235 -8.208 1.00 0.00 O ATOM 107 C2' C A 7 4.270 -1.203 -6.845 1.00 0.00 C ATOM 108 O2' C A 7 4.205 -2.326 -7.712 1.00 0.00 O ATOM 109 C1' C A 7 5.726 -0.784 -6.661 1.00 0.00 C ATOM 110 N1 C A 7 5.939 -0.689 -5.193 1.00 0.00 N ATOM 111 C2 C A 7 6.284 -1.876 -4.442 1.00 0.00 C ATOM 112 O2 C A 7 6.502 -2.972 -4.990 1.00 0.00 O ATOM 113 N3 C A 7 6.367 -1.773 -3.071 1.00 0.00 N ATOM 114 C4 C A 7 6.137 -0.598 -2.432 1.00 0.00 C ATOM 115 N4 C A 7 6.198 -0.531 -1.067 1.00 0.00 N ATOM 116 C5 C A 7 5.803 0.574 -3.220 1.00 0.00 C ATOM 117 C6 C A 7 5.722 0.482 -4.531 1.00 0.00 C ATOM 0 H5' C A 7 5.313 2.838 -8.444 1.00 0.00 H new ATOM 0 H5'' C A 7 3.667 2.534 -8.965 1.00 0.00 H new ATOM 0 H4' C A 7 4.709 0.500 -9.158 1.00 0.00 H new ATOM 0 H3' C A 7 3.107 0.589 -6.551 1.00 0.00 H new ATOM 0 H2' C A 7 3.787 -1.529 -5.924 1.00 0.00 H new ATOM 0 HO2' C A 7 3.762 -3.069 -7.252 1.00 0.00 H new ATOM 0 H1' C A 7 6.467 -1.475 -7.063 1.00 0.00 H new ATOM 0 H41 C A 7 6.024 0.355 -0.592 1.00 0.00 H new ATOM 0 H42 C A 7 6.417 -1.367 -0.525 1.00 0.00 H new ATOM 0 H5 C A 7 5.621 1.520 -2.732 1.00 0.00 H new ATOM 0 H6 C A 7 5.475 1.365 -5.101 1.00 0.00 H new ATOM 129 P U A 8 0.979 -0.617 -7.687 1.00 0.00 P ATOM 130 OP1 U A 8 0.050 -0.583 -8.842 1.00 0.00 O ATOM 131 OP2 U A 8 0.625 0.256 -6.549 1.00 0.00 O ATOM 132 O5' U A 8 1.143 -2.126 -7.157 1.00 0.00 O ATOM 133 C5' U A 8 1.224 -3.186 -8.115 1.00 0.00 C ATOM 134 C4' U A 8 1.564 -4.579 -7.522 1.00 0.00 C ATOM 135 O4' U A 8 2.830 -4.648 -6.818 1.00 0.00 O ATOM 136 C3' U A 8 0.533 -5.195 -6.591 1.00 0.00 C ATOM 137 O3' U A 8 -0.466 -5.833 -7.384 1.00 0.00 O ATOM 138 C2' U A 8 1.356 -6.208 -5.779 1.00 0.00 C ATOM 139 O2' U A 8 1.434 -7.512 -6.356 1.00 0.00 O ATOM 140 C1' U A 8 2.753 -5.574 -5.719 1.00 0.00 C ATOM 141 N1 U A 8 3.082 -4.917 -4.412 1.00 0.00 N ATOM 142 C2 U A 8 3.304 -5.756 -3.263 1.00 0.00 C ATOM 143 O2 U A 8 3.253 -6.993 -3.260 1.00 0.00 O ATOM 144 N3 U A 8 3.602 -5.049 -2.077 1.00 0.00 N ATOM 145 C4 U A 8 3.697 -3.640 -1.930 1.00 0.00 C ATOM 146 O4 U A 8 3.955 -3.123 -0.841 1.00 0.00 O ATOM 147 C5 U A 8 3.458 -2.892 -3.152 1.00 0.00 C ATOM 148 C6 U A 8 3.169 -3.537 -4.301 1.00 0.00 C ATOM 0 H5' U A 8 1.980 -2.929 -8.857 1.00 0.00 H new ATOM 0 H5'' U A 8 0.272 -3.254 -8.641 1.00 0.00 H new ATOM 0 H4' U A 8 1.596 -5.154 -8.447 1.00 0.00 H new ATOM 0 H3' U A 8 0.015 -4.487 -5.944 1.00 0.00 H new ATOM 0 H2' U A 8 0.890 -6.381 -4.809 1.00 0.00 H new ATOM 0 HO2' U A 8 0.770 -7.593 -7.072 1.00 0.00 H new ATOM 0 H1' U A 8 3.503 -6.361 -5.800 1.00 0.00 H new ATOM 0 H3 U A 8 3.766 -5.608 -1.240 1.00 0.00 H new ATOM 0 H5 U A 8 3.512 -1.813 -3.141 1.00 0.00 H new ATOM 0 H6 U A 8 2.995 -2.944 -5.187 1.00 0.00 H new ATOM 159 P G A 9 -2.006 -5.917 -7.103 1.00 0.00 P ATOM 160 OP1 G A 9 -2.605 -6.876 -8.061 1.00 0.00 O ATOM 161 OP2 G A 9 -2.562 -4.547 -7.115 1.00 0.00 O ATOM 162 O5' G A 9 -2.060 -6.510 -5.631 1.00 0.00 O ATOM 163 C5' G A 9 -1.919 -7.904 -5.358 1.00 0.00 C ATOM 164 C4' G A 9 -1.940 -8.233 -3.840 1.00 0.00 C ATOM 165 O4' G A 9 -0.704 -7.818 -3.170 1.00 0.00 O ATOM 166 C3' G A 9 -3.056 -7.535 -3.058 1.00 0.00 C ATOM 167 O3' G A 9 -4.292 -8.232 -3.196 1.00 0.00 O ATOM 168 C2' G A 9 -2.509 -7.483 -1.625 1.00 0.00 C ATOM 169 O2' G A 9 -2.795 -8.663 -0.871 1.00 0.00 O ATOM 170 C1' G A 9 -0.984 -7.317 -1.846 1.00 0.00 C ATOM 171 N9 G A 9 -0.449 -5.914 -1.727 1.00 0.00 N ATOM 172 C8 G A 9 -0.200 -5.000 -2.716 1.00 0.00 C ATOM 173 N7 G A 9 0.249 -3.843 -2.308 1.00 0.00 N ATOM 174 C5 G A 9 0.316 -3.964 -0.956 1.00 0.00 C ATOM 175 C6 G A 9 0.736 -3.006 -0.030 1.00 0.00 C ATOM 176 O6 G A 9 1.114 -1.869 -0.313 1.00 0.00 O ATOM 177 N1 G A 9 0.670 -3.497 1.293 1.00 0.00 N ATOM 178 C2 G A 9 0.243 -4.779 1.671 1.00 0.00 C ATOM 179 N2 G A 9 0.303 -4.957 3.011 1.00 0.00 N ATOM 180 N3 G A 9 -0.161 -5.690 0.744 1.00 0.00 N ATOM 181 C4 G A 9 -0.105 -5.233 -0.538 1.00 0.00 C ATOM 0 H5' G A 9 -0.982 -8.259 -5.788 1.00 0.00 H new ATOM 0 H5'' G A 9 -2.723 -8.448 -5.853 1.00 0.00 H new ATOM 0 H4' G A 9 -2.085 -9.313 -3.829 1.00 0.00 H new ATOM 0 H3' G A 9 -3.296 -6.534 -3.416 1.00 0.00 H new ATOM 0 H2' G A 9 -2.964 -6.683 -1.041 1.00 0.00 H new ATOM 0 HO2' G A 9 -3.513 -9.166 -1.310 1.00 0.00 H new ATOM 0 H1' G A 9 -0.485 -7.865 -1.047 1.00 0.00 H new ATOM 0 H8 G A 9 -0.363 -5.220 -3.761 1.00 0.00 H new ATOM 0 H1 G A 9 0.958 -2.864 2.039 1.00 0.00 H new ATOM 0 H21 G A 9 0.020 -5.847 3.420 1.00 0.00 H new ATOM 0 H22 G A 9 0.631 -4.201 3.612 1.00 0.00 H new ATOM 193 P A A 10 -5.560 -7.726 -4.017 1.00 0.00 P ATOM 194 OP1 A A 10 -6.216 -8.906 -4.626 1.00 0.00 O ATOM 195 OP2 A A 10 -5.177 -6.634 -4.942 1.00 0.00 O ATOM 196 O5' A A 10 -6.520 -7.113 -2.908 1.00 0.00 O ATOM 197 C5' A A 10 -6.948 -7.881 -1.785 1.00 0.00 C ATOM 198 C4' A A 10 -6.941 -7.061 -0.475 1.00 0.00 C ATOM 199 O4' A A 10 -6.962 -7.987 0.644 1.00 0.00 O ATOM 200 C3' A A 10 -5.702 -6.172 -0.246 1.00 0.00 C ATOM 201 O3' A A 10 -6.006 -4.791 -0.492 1.00 0.00 O ATOM 202 C2' A A 10 -5.206 -6.495 1.178 1.00 0.00 C ATOM 203 O2' A A 10 -5.054 -5.368 2.033 1.00 0.00 O ATOM 204 C1' A A 10 -6.261 -7.444 1.756 1.00 0.00 C ATOM 205 N9 A A 10 -5.671 -8.597 2.475 1.00 0.00 N ATOM 206 C8 A A 10 -4.866 -9.596 2.007 1.00 0.00 C ATOM 207 N7 A A 10 -4.523 -10.484 2.915 1.00 0.00 N ATOM 208 C5 A A 10 -5.140 -10.048 4.061 1.00 0.00 C ATOM 209 C6 A A 10 -5.139 -10.592 5.365 1.00 0.00 C ATOM 210 N6 A A 10 -4.438 -11.739 5.624 1.00 0.00 N ATOM 211 N1 A A 10 -5.878 -9.883 6.287 1.00 0.00 N ATOM 212 C2 A A 10 -6.521 -8.769 5.908 1.00 0.00 C ATOM 213 N3 A A 10 -6.580 -8.189 4.727 1.00 0.00 N ATOM 214 C4 A A 10 -5.856 -8.884 3.824 1.00 0.00 C ATOM 0 H5' A A 10 -6.297 -8.748 -1.672 1.00 0.00 H new ATOM 0 H5'' A A 10 -7.954 -8.259 -1.969 1.00 0.00 H new ATOM 0 H4' A A 10 -7.809 -6.406 -0.554 1.00 0.00 H new ATOM 0 H3' A A 10 -4.894 -6.377 -0.949 1.00 0.00 H new ATOM 0 H2' A A 10 -4.204 -6.919 1.117 1.00 0.00 H new ATOM 0 HO2' A A 10 -4.101 -5.199 2.185 1.00 0.00 H new ATOM 0 H1' A A 10 -6.879 -6.882 2.456 1.00 0.00 H new ATOM 0 H8 A A 10 -4.539 -9.652 0.979 1.00 0.00 H new ATOM 0 H61 A A 10 -4.436 -12.134 6.564 1.00 0.00 H new ATOM 0 H62 A A 10 -3.918 -12.199 4.876 1.00 0.00 H new ATOM 0 H2 A A 10 -7.075 -8.272 6.690 1.00 0.00 H new ATOM 226 P C A 11 -5.354 -3.991 -1.719 1.00 0.00 P ATOM 227 OP1 C A 11 -6.359 -3.840 -2.797 1.00 0.00 O ATOM 228 OP2 C A 11 -4.060 -4.590 -2.097 1.00 0.00 O ATOM 229 O5' C A 11 -5.012 -2.568 -1.114 1.00 0.00 O ATOM 230 C5' C A 11 -6.026 -1.652 -0.726 1.00 0.00 C ATOM 231 C4' C A 11 -5.714 -0.994 0.630 1.00 0.00 C ATOM 232 O4' C A 11 -6.874 -0.238 1.073 1.00 0.00 O ATOM 233 C3' C A 11 -5.464 -1.992 1.760 1.00 0.00 C ATOM 234 O3' C A 11 -4.149 -1.795 2.256 1.00 0.00 O ATOM 235 C2' C A 11 -6.560 -1.752 2.803 1.00 0.00 C ATOM 236 O2' C A 11 -6.163 -1.951 4.156 1.00 0.00 O ATOM 237 C1' C A 11 -7.037 -0.339 2.492 1.00 0.00 C ATOM 238 N1 C A 11 -8.478 -0.166 2.888 1.00 0.00 N ATOM 239 C2 C A 11 -8.827 0.278 4.223 1.00 0.00 C ATOM 240 O2 C A 11 -7.963 0.546 5.083 1.00 0.00 O ATOM 241 N3 C A 11 -10.171 0.395 4.535 1.00 0.00 N ATOM 242 C4 C A 11 -11.145 0.109 3.627 1.00 0.00 C ATOM 243 N4 C A 11 -12.472 0.212 3.933 1.00 0.00 N ATOM 244 C5 C A 11 -10.777 -0.329 2.299 1.00 0.00 C ATOM 245 C6 C A 11 -9.492 -0.447 1.996 1.00 0.00 C ATOM 0 H5' C A 11 -6.982 -2.172 -0.666 1.00 0.00 H new ATOM 0 H5'' C A 11 -6.130 -0.881 -1.489 1.00 0.00 H new ATOM 0 H4' C A 11 -4.820 -0.395 0.456 1.00 0.00 H new ATOM 0 H3' C A 11 -5.516 -3.033 1.441 1.00 0.00 H new ATOM 0 H2' C A 11 -7.358 -2.491 2.727 1.00 0.00 H new ATOM 0 HO2' C A 11 -5.523 -1.256 4.415 1.00 0.00 H new ATOM 0 H1' C A 11 -6.487 0.430 3.035 1.00 0.00 H new ATOM 0 H41 C A 11 -13.176 -0.010 3.229 1.00 0.00 H new ATOM 0 H42 C A 11 -12.759 0.511 4.865 1.00 0.00 H new ATOM 0 H5 C A 11 -11.537 -0.556 1.566 1.00 0.00 H new ATOM 0 H6 C A 11 -9.226 -0.779 1.003 1.00 0.00 H new ATOM 257 P A A 12 -2.828 -2.635 2.045 1.00 0.00 P ATOM 258 OP1 A A 12 -1.677 -1.732 2.267 1.00 0.00 O ATOM 259 OP2 A A 12 -2.871 -3.343 0.746 1.00 0.00 O ATOM 260 O5' A A 12 -2.866 -3.717 3.206 1.00 0.00 O ATOM 261 C5' A A 12 -2.983 -3.332 4.574 1.00 0.00 C ATOM 262 C4' A A 12 -2.991 -4.534 5.549 1.00 0.00 C ATOM 263 O4' A A 12 -3.583 -5.736 4.943 1.00 0.00 O ATOM 264 C3' A A 12 -1.602 -4.990 5.988 1.00 0.00 C ATOM 265 O3' A A 12 -1.049 -4.163 7.016 1.00 0.00 O ATOM 266 C2' A A 12 -1.832 -6.436 6.418 1.00 0.00 C ATOM 267 O2' A A 12 -2.315 -6.573 7.756 1.00 0.00 O ATOM 268 C1' A A 12 -2.885 -6.908 5.399 1.00 0.00 C ATOM 269 N9 A A 12 -2.372 -7.743 4.259 1.00 0.00 N ATOM 270 C8 A A 12 -2.305 -7.476 2.914 1.00 0.00 C ATOM 271 N7 A A 12 -1.846 -8.456 2.181 1.00 0.00 N ATOM 272 C5 A A 12 -1.577 -9.456 3.073 1.00 0.00 C ATOM 273 C6 A A 12 -1.066 -10.749 2.844 1.00 0.00 C ATOM 274 N6 A A 12 -0.798 -11.149 1.562 1.00 0.00 N ATOM 275 N1 A A 12 -0.906 -11.517 3.972 1.00 0.00 N ATOM 276 C2 A A 12 -1.233 -11.018 5.170 1.00 0.00 C ATOM 277 N3 A A 12 -1.725 -9.821 5.485 1.00 0.00 N ATOM 278 C4 A A 12 -1.880 -9.063 4.369 1.00 0.00 C ATOM 0 H5' A A 12 -3.901 -2.760 4.706 1.00 0.00 H new ATOM 0 H5'' A A 12 -2.155 -2.671 4.830 1.00 0.00 H new ATOM 0 H4' A A 12 -3.565 -4.154 6.394 1.00 0.00 H new ATOM 0 H3' A A 12 -0.855 -4.912 5.198 1.00 0.00 H new ATOM 0 H2' A A 12 -0.908 -7.014 6.426 1.00 0.00 H new ATOM 0 HO2' A A 12 -2.151 -5.742 8.250 1.00 0.00 H new ATOM 0 H1' A A 12 -3.550 -7.605 5.908 1.00 0.00 H new ATOM 0 H8 A A 12 -2.608 -6.529 2.494 1.00 0.00 H new ATOM 0 H61 A A 12 -0.428 -12.083 1.386 1.00 0.00 H new ATOM 0 H62 A A 12 -0.969 -10.513 0.783 1.00 0.00 H new ATOM 0 H2 A A 12 -1.074 -11.685 6.005 1.00 0.00 H new ATOM 290 P A A 13 0.465 -3.666 6.968 1.00 0.00 P ATOM 291 OP1 A A 13 0.670 -2.678 8.054 1.00 0.00 O ATOM 292 OP2 A A 13 0.782 -3.210 5.595 1.00 0.00 O ATOM 293 O5' A A 13 1.307 -4.987 7.272 1.00 0.00 O ATOM 294 C5' A A 13 1.277 -5.582 8.572 1.00 0.00 C ATOM 295 C4' A A 13 1.718 -7.069 8.586 1.00 0.00 C ATOM 296 O4' A A 13 0.880 -7.890 7.706 1.00 0.00 O ATOM 297 C3' A A 13 3.145 -7.338 8.105 1.00 0.00 C ATOM 298 O3' A A 13 4.108 -7.108 9.139 1.00 0.00 O ATOM 299 C2' A A 13 3.077 -8.798 7.641 1.00 0.00 C ATOM 300 O2' A A 13 3.215 -9.751 8.697 1.00 0.00 O ATOM 301 C1' A A 13 1.674 -8.876 7.018 1.00 0.00 C ATOM 302 N9 A A 13 1.595 -8.699 5.529 1.00 0.00 N ATOM 303 C8 A A 13 1.167 -7.622 4.810 1.00 0.00 C ATOM 304 N7 A A 13 1.203 -7.773 3.515 1.00 0.00 N ATOM 305 C5 A A 13 1.686 -9.031 3.327 1.00 0.00 C ATOM 306 C6 A A 13 1.935 -9.720 2.127 1.00 0.00 C ATOM 307 N6 A A 13 1.668 -9.109 0.928 1.00 0.00 N ATOM 308 N1 A A 13 2.430 -10.992 2.287 1.00 0.00 N ATOM 309 C2 A A 13 2.638 -11.479 3.514 1.00 0.00 C ATOM 310 N3 A A 13 2.435 -10.906 4.704 1.00 0.00 N ATOM 311 C4 A A 13 1.947 -9.649 4.544 1.00 0.00 C ATOM 0 H5' A A 13 0.266 -5.508 8.973 1.00 0.00 H new ATOM 0 H5'' A A 13 1.926 -5.013 9.238 1.00 0.00 H new ATOM 0 H4' A A 13 1.630 -7.324 9.642 1.00 0.00 H new ATOM 0 H3' A A 13 3.475 -6.671 7.309 1.00 0.00 H new ATOM 0 H2' A A 13 3.896 -9.047 6.966 1.00 0.00 H new ATOM 0 HO2' A A 13 3.600 -9.313 9.485 1.00 0.00 H new ATOM 0 H1' A A 13 1.305 -9.893 7.148 1.00 0.00 H new ATOM 0 H8 A A 13 0.824 -6.711 5.278 1.00 0.00 H new ATOM 0 H61 A A 13 1.846 -9.603 0.053 1.00 0.00 H new ATOM 0 H62 A A 13 1.291 -8.161 0.911 1.00 0.00 H new ATOM 0 H2 A A 13 3.028 -12.485 3.549 1.00 0.00 H new ATOM 323 P A A 14 5.593 -6.647 8.809 1.00 0.00 P ATOM 324 OP1 A A 14 6.299 -6.412 10.089 1.00 0.00 O ATOM 325 OP2 A A 14 5.550 -5.512 7.853 1.00 0.00 O ATOM 326 O5' A A 14 6.201 -7.965 8.143 1.00 0.00 O ATOM 327 C5' A A 14 7.048 -7.889 7.006 1.00 0.00 C ATOM 328 C4' A A 14 7.117 -9.229 6.235 1.00 0.00 C ATOM 329 O4' A A 14 5.786 -9.669 5.777 1.00 0.00 O ATOM 330 C3' A A 14 7.923 -9.080 4.945 1.00 0.00 C ATOM 331 O3' A A 14 9.306 -9.370 5.142 1.00 0.00 O ATOM 332 C2' A A 14 7.214 -10.023 3.963 1.00 0.00 C ATOM 333 O2' A A 14 7.602 -11.394 4.068 1.00 0.00 O ATOM 334 C1' A A 14 5.748 -9.836 4.346 1.00 0.00 C ATOM 335 N9 A A 14 5.102 -8.641 3.684 1.00 0.00 N ATOM 336 C8 A A 14 4.618 -7.533 4.297 1.00 0.00 C ATOM 337 N7 A A 14 4.139 -6.612 3.513 1.00 0.00 N ATOM 338 C5 A A 14 4.300 -7.122 2.260 1.00 0.00 C ATOM 339 C6 A A 14 3.959 -6.555 1.020 1.00 0.00 C ATOM 340 N6 A A 14 3.385 -5.315 0.993 1.00 0.00 N ATOM 341 N1 A A 14 4.252 -7.328 -0.071 1.00 0.00 N ATOM 342 C2 A A 14 4.822 -8.527 0.098 1.00 0.00 C ATOM 343 N3 A A 14 5.182 -9.151 1.227 1.00 0.00 N ATOM 344 C4 A A 14 4.891 -8.381 2.305 1.00 0.00 C ATOM 0 H5' A A 14 8.051 -7.602 7.321 1.00 0.00 H new ATOM 0 H5'' A A 14 6.687 -7.106 6.339 1.00 0.00 H new ATOM 0 H4' A A 14 7.564 -9.937 6.933 1.00 0.00 H new ATOM 0 H3' A A 14 7.945 -8.059 4.563 1.00 0.00 H new ATOM 0 H2' A A 14 7.457 -9.784 2.928 1.00 0.00 H new ATOM 0 HO2' A A 14 7.105 -11.926 3.412 1.00 0.00 H new ATOM 0 H1' A A 14 5.145 -10.682 4.018 1.00 0.00 H new ATOM 0 H8 A A 14 4.629 -7.422 5.371 1.00 0.00 H new ATOM 0 H61 A A 14 3.132 -4.890 0.101 1.00 0.00 H new ATOM 0 H62 A A 14 3.210 -4.815 1.865 1.00 0.00 H new ATOM 0 H2 A A 14 5.022 -9.073 -0.812 1.00 0.00 H new ATOM 356 P G A 15 10.460 -8.521 4.442 1.00 0.00 P ATOM 357 OP1 G A 15 11.768 -9.018 4.931 1.00 0.00 O ATOM 358 OP2 G A 15 10.192 -7.075 4.625 1.00 0.00 O ATOM 359 O5' G A 15 10.306 -8.867 2.895 1.00 0.00 O ATOM 360 C5' G A 15 10.477 -10.207 2.441 1.00 0.00 C ATOM 361 C4' G A 15 9.888 -10.445 1.033 1.00 0.00 C ATOM 362 O4' G A 15 8.487 -10.048 0.908 1.00 0.00 O ATOM 363 C3' G A 15 10.617 -9.729 -0.097 1.00 0.00 C ATOM 364 O3' G A 15 11.745 -10.491 -0.530 1.00 0.00 O ATOM 365 C2' G A 15 9.530 -9.573 -1.161 1.00 0.00 C ATOM 366 O2' G A 15 9.364 -10.719 -2.000 1.00 0.00 O ATOM 367 C1' G A 15 8.277 -9.327 -0.314 1.00 0.00 C ATOM 368 N9 G A 15 7.928 -7.899 -0.014 1.00 0.00 N ATOM 369 C8 G A 15 7.886 -7.278 1.195 1.00 0.00 C ATOM 370 N7 G A 15 7.548 -6.008 1.154 1.00 0.00 N ATOM 371 C5 G A 15 7.344 -5.749 -0.177 1.00 0.00 C ATOM 372 C6 G A 15 6.964 -4.540 -0.793 1.00 0.00 C ATOM 373 O6 G A 15 6.755 -3.463 -0.215 1.00 0.00 O ATOM 374 N1 G A 15 6.859 -4.700 -2.208 1.00 0.00 N ATOM 375 C2 G A 15 7.095 -5.885 -2.932 1.00 0.00 C ATOM 376 N2 G A 15 6.920 -5.742 -4.274 1.00 0.00 N ATOM 377 N3 G A 15 7.461 -7.024 -2.292 1.00 0.00 N ATOM 378 C4 G A 15 7.569 -6.901 -0.943 1.00 0.00 C ATOM 0 H5' G A 15 10.002 -10.888 3.148 1.00 0.00 H new ATOM 0 H5'' G A 15 11.540 -10.449 2.430 1.00 0.00 H new ATOM 0 H4' G A 15 10.007 -11.524 0.932 1.00 0.00 H new ATOM 0 H3' G A 15 11.045 -8.765 0.178 1.00 0.00 H new ATOM 0 H2' G A 15 9.768 -8.779 -1.869 1.00 0.00 H new ATOM 0 HO2' G A 15 10.136 -11.314 -1.898 1.00 0.00 H new ATOM 0 H1' G A 15 7.421 -9.665 -0.898 1.00 0.00 H new ATOM 0 H8 G A 15 8.113 -7.789 2.119 1.00 0.00 H new ATOM 0 H1 G A 15 6.587 -3.877 -2.746 1.00 0.00 H new ATOM 0 H21 G A 15 7.065 -6.538 -4.895 1.00 0.00 H new ATOM 0 H22 G A 15 6.644 -4.839 -4.659 1.00 0.00 H new ATOM 390 P C A 16 13.152 -9.833 -0.854 1.00 0.00 P ATOM 391 OP1 C A 16 14.127 -10.915 -1.128 1.00 0.00 O ATOM 392 OP2 C A 16 13.511 -8.873 0.215 1.00 0.00 O ATOM 393 O5' C A 16 12.863 -9.019 -2.182 1.00 0.00 O ATOM 394 C5' C A 16 12.610 -9.672 -3.423 1.00 0.00 C ATOM 395 C4' C A 16 12.125 -8.691 -4.516 1.00 0.00 C ATOM 396 O4' C A 16 10.803 -8.124 -4.200 1.00 0.00 O ATOM 397 C3' C A 16 13.022 -7.463 -4.708 1.00 0.00 C ATOM 398 O3' C A 16 14.177 -7.754 -5.495 1.00 0.00 O ATOM 399 C2' C A 16 12.062 -6.458 -5.336 1.00 0.00 C ATOM 400 O2' C A 16 11.855 -6.630 -6.737 1.00 0.00 O ATOM 401 C1' C A 16 10.777 -6.714 -4.522 1.00 0.00 C ATOM 402 N1 C A 16 10.582 -5.841 -3.292 1.00 0.00 N ATOM 403 C2 C A 16 10.219 -4.453 -3.489 1.00 0.00 C ATOM 404 O2 C A 16 10.058 -3.957 -4.620 1.00 0.00 O ATOM 405 N3 C A 16 10.047 -3.658 -2.376 1.00 0.00 N ATOM 406 C4 C A 16 10.207 -4.136 -1.115 1.00 0.00 C ATOM 407 N4 C A 16 10.036 -3.337 -0.022 1.00 0.00 N ATOM 408 C5 C A 16 10.568 -5.516 -0.911 1.00 0.00 C ATOM 409 C6 C A 16 10.738 -6.303 -1.985 1.00 0.00 C ATOM 0 H5' C A 16 11.859 -10.448 -3.276 1.00 0.00 H new ATOM 0 H5'' C A 16 13.519 -10.168 -3.762 1.00 0.00 H new ATOM 0 H4' C A 16 12.124 -9.312 -5.412 1.00 0.00 H new ATOM 0 H3' C A 16 13.467 -7.083 -3.788 1.00 0.00 H new ATOM 0 H2' C A 16 12.439 -5.436 -5.290 1.00 0.00 H new ATOM 0 HO2' C A 16 12.569 -7.190 -7.107 1.00 0.00 H new ATOM 0 H1' C A 16 9.913 -6.433 -5.124 1.00 0.00 H new ATOM 0 H41 C A 16 10.162 -3.720 0.915 1.00 0.00 H new ATOM 0 H42 C A 16 9.782 -2.356 -0.142 1.00 0.00 H new ATOM 0 H5 C A 16 10.699 -5.909 0.086 1.00 0.00 H new ATOM 0 H6 C A 16 11.007 -7.338 -1.831 1.00 0.00 H new ATOM 421 P G A 17 15.570 -7.010 -5.284 1.00 0.00 P ATOM 422 OP1 G A 17 16.614 -7.758 -6.025 1.00 0.00 O ATOM 423 OP2 G A 17 15.816 -6.797 -3.839 1.00 0.00 O ATOM 424 O5' G A 17 15.340 -5.588 -5.968 1.00 0.00 O ATOM 425 C5' G A 17 15.192 -5.494 -7.386 1.00 0.00 C ATOM 426 C4' G A 17 14.634 -4.127 -7.843 1.00 0.00 C ATOM 427 O4' G A 17 13.377 -3.802 -7.156 1.00 0.00 O ATOM 428 C3' G A 17 15.541 -2.923 -7.560 1.00 0.00 C ATOM 429 O3' G A 17 16.567 -2.781 -8.547 1.00 0.00 O ATOM 430 C2' G A 17 14.546 -1.762 -7.554 1.00 0.00 C ATOM 431 O2' G A 17 14.209 -1.273 -8.854 1.00 0.00 O ATOM 432 C1' G A 17 13.327 -2.393 -6.865 1.00 0.00 C ATOM 433 N9 G A 17 13.111 -2.109 -5.407 1.00 0.00 N ATOM 434 C8 G A 17 13.124 -2.953 -4.335 1.00 0.00 C ATOM 435 N7 G A 17 12.870 -2.388 -3.181 1.00 0.00 N ATOM 436 C5 G A 17 12.666 -1.074 -3.482 1.00 0.00 C ATOM 437 C6 G A 17 12.357 -0.025 -2.608 1.00 0.00 C ATOM 438 O6 G A 17 12.208 -0.129 -1.387 1.00 0.00 O ATOM 439 N1 G A 17 12.223 1.206 -3.308 1.00 0.00 N ATOM 440 C2 G A 17 12.373 1.394 -4.696 1.00 0.00 C ATOM 441 N2 G A 17 12.190 2.683 -5.089 1.00 0.00 N ATOM 442 N3 G A 17 12.675 0.343 -5.504 1.00 0.00 N ATOM 443 C4 G A 17 12.807 -0.846 -4.853 1.00 0.00 C ATOM 0 H5' G A 17 14.527 -6.286 -7.730 1.00 0.00 H new ATOM 0 H5'' G A 17 16.159 -5.662 -7.859 1.00 0.00 H new ATOM 0 H4' G A 17 14.524 -4.265 -8.919 1.00 0.00 H new ATOM 0 H3' G A 17 16.102 -3.002 -6.629 1.00 0.00 H new ATOM 0 H2' G A 17 14.950 -0.879 -7.058 1.00 0.00 H new ATOM 0 HO2' G A 17 14.903 -1.537 -9.493 1.00 0.00 H new ATOM 0 H1' G A 17 12.444 -1.905 -7.278 1.00 0.00 H new ATOM 0 H8 G A 17 13.329 -4.009 -4.431 1.00 0.00 H new ATOM 0 H1 G A 17 11.997 2.031 -2.752 1.00 0.00 H new ATOM 0 H21 G A 17 12.275 2.933 -6.074 1.00 0.00 H new ATOM 0 H22 G A 17 11.967 3.400 -4.398 1.00 0.00 H new ATOM 455 P C A 18 18.012 -2.221 -8.190 1.00 0.00 P ATOM 456 OP1 C A 18 18.858 -2.301 -9.406 1.00 0.00 O ATOM 457 OP2 C A 18 18.524 -2.912 -6.984 1.00 0.00 O ATOM 458 O5' C A 18 17.744 -0.700 -7.818 1.00 0.00 O ATOM 459 C5' C A 18 17.441 0.284 -8.805 1.00 0.00 C ATOM 460 C4' C A 18 17.124 1.672 -8.192 1.00 0.00 C ATOM 461 O4' C A 18 15.908 1.639 -7.377 1.00 0.00 O ATOM 462 C3' C A 18 18.201 2.221 -7.263 1.00 0.00 C ATOM 463 O3' C A 18 19.237 2.903 -7.969 1.00 0.00 O ATOM 464 C2' C A 18 17.451 3.095 -6.258 1.00 0.00 C ATOM 465 O2' C A 18 17.318 4.462 -6.644 1.00 0.00 O ATOM 466 C1' C A 18 16.067 2.424 -6.171 1.00 0.00 C ATOM 467 N1 C A 18 15.875 1.637 -4.912 1.00 0.00 N ATOM 468 C2 C A 18 15.586 2.312 -3.660 1.00 0.00 C ATOM 469 O2 C A 18 15.482 3.552 -3.570 1.00 0.00 O ATOM 470 N3 C A 18 15.421 1.534 -2.529 1.00 0.00 N ATOM 471 C4 C A 18 15.522 0.177 -2.582 1.00 0.00 C ATOM 472 N4 C A 18 15.365 -0.611 -1.481 1.00 0.00 N ATOM 473 C5 C A 18 15.807 -0.466 -3.838 1.00 0.00 C ATOM 474 C6 C A 18 15.970 0.277 -4.924 1.00 0.00 C ATOM 0 H5' C A 18 16.588 -0.051 -9.395 1.00 0.00 H new ATOM 0 H5'' C A 18 18.285 0.378 -9.489 1.00 0.00 H new ATOM 0 H4' C A 18 17.032 2.309 -9.072 1.00 0.00 H new ATOM 0 H3' C A 18 18.743 1.427 -6.749 1.00 0.00 H new ATOM 0 H2' C A 18 17.994 3.148 -5.314 1.00 0.00 H new ATOM 0 HO2' C A 18 18.020 4.690 -7.288 1.00 0.00 H new ATOM 0 HO3' C A 18 19.902 3.238 -7.331 1.00 0.00 H new ATOM 0 H1' C A 18 15.281 3.177 -6.113 1.00 0.00 H new ATOM 0 H41 C A 18 15.448 -1.624 -1.563 1.00 0.00 H new ATOM 0 H42 C A 18 15.164 -0.187 -0.575 1.00 0.00 H new ATOM 0 H5 C A 18 15.887 -1.542 -3.895 1.00 0.00 H new ATOM 0 H6 C A 18 16.188 -0.217 -5.859 1.00 0.00 H new TER 487 C A 18 ATOM 488 N ASN B 1 10.436 2.307 5.519 1.00 0.00 N ATOM 489 CA ASN B 1 9.659 1.924 4.306 1.00 0.00 C ATOM 490 C ASN B 1 8.412 2.781 4.169 1.00 0.00 C ATOM 491 O ASN B 1 7.746 3.089 5.166 1.00 0.00 O ATOM 492 CB ASN B 1 9.294 0.399 4.383 1.00 0.00 C ATOM 493 CG ASN B 1 8.841 -0.203 3.034 1.00 0.00 C ATOM 494 OD1 ASN B 1 9.674 -0.650 2.237 1.00 0.00 O ATOM 495 ND2 ASN B 1 7.493 -0.246 2.800 1.00 0.00 N ATOM 0 H1 ASN B 1 11.283 1.708 5.592 1.00 0.00 H new ATOM 0 H2 ASN B 1 10.722 3.304 5.448 1.00 0.00 H new ATOM 0 H3 ASN B 1 9.846 2.176 6.365 1.00 0.00 H new ATOM 0 HA ASN B 1 10.269 2.096 3.420 1.00 0.00 H new ATOM 0 HB2 ASN B 1 10.161 -0.155 4.744 1.00 0.00 H new ATOM 0 HB3 ASN B 1 8.499 0.262 5.116 1.00 0.00 H new ATOM 0 HD21 ASN B 1 7.138 -0.660 1.938 1.00 0.00 H new ATOM 0 HD22 ASN B 1 6.844 0.136 3.488 1.00 0.00 H new ATOM 503 N ALA B 2 8.071 3.164 2.901 1.00 0.00 N ATOM 504 CA ALA B 2 6.902 3.951 2.553 1.00 0.00 C ATOM 505 C ALA B 2 5.765 2.965 2.347 1.00 0.00 C ATOM 506 O ALA B 2 5.500 2.488 1.238 1.00 0.00 O ATOM 507 CB ALA B 2 7.103 4.884 1.343 1.00 0.00 C ATOM 0 H ALA B 2 8.634 2.914 2.088 1.00 0.00 H new ATOM 0 HA ALA B 2 6.680 4.647 3.362 1.00 0.00 H new ATOM 0 HB1 ALA B 2 6.182 5.435 1.151 1.00 0.00 H new ATOM 0 HB2 ALA B 2 7.909 5.587 1.555 1.00 0.00 H new ATOM 0 HB3 ALA B 2 7.361 4.291 0.465 1.00 0.00 H new ATOM 513 N LYS B 3 5.110 2.619 3.491 1.00 0.00 N ATOM 514 CA LYS B 3 4.006 1.697 3.636 1.00 0.00 C ATOM 515 C LYS B 3 2.693 2.475 3.650 1.00 0.00 C ATOM 516 O LYS B 3 1.837 2.245 2.795 1.00 0.00 O ATOM 517 CB LYS B 3 4.171 0.772 4.894 1.00 0.00 C ATOM 518 CG LYS B 3 3.482 -0.616 4.823 1.00 0.00 C ATOM 519 CD LYS B 3 4.126 -1.592 3.807 1.00 0.00 C ATOM 520 CE LYS B 3 3.526 -3.009 3.725 1.00 0.00 C ATOM 521 NZ LYS B 3 3.831 -3.845 4.914 1.00 0.00 N ATOM 0 H LYS B 3 5.380 3.022 4.388 1.00 0.00 H new ATOM 0 HA LYS B 3 3.996 1.023 2.779 1.00 0.00 H new ATOM 0 HB2 LYS B 3 5.236 0.617 5.067 1.00 0.00 H new ATOM 0 HB3 LYS B 3 3.781 1.303 5.762 1.00 0.00 H new ATOM 0 HG2 LYS B 3 3.505 -1.072 5.813 1.00 0.00 H new ATOM 0 HG3 LYS B 3 2.433 -0.476 4.561 1.00 0.00 H new ATOM 0 HD2 LYS B 3 4.065 -1.140 2.817 1.00 0.00 H new ATOM 0 HD3 LYS B 3 5.184 -1.685 4.050 1.00 0.00 H new ATOM 0 HE2 LYS B 3 2.445 -2.932 3.611 1.00 0.00 H new ATOM 0 HE3 LYS B 3 3.906 -3.506 2.833 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 3.993 -4.828 4.615 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 4.684 -3.481 5.385 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 3.030 -3.813 5.576 1.00 0.00 H new ATOM 535 N THR B 4 2.533 3.429 4.623 1.00 0.00 N ATOM 536 CA THR B 4 1.367 4.287 4.842 1.00 0.00 C ATOM 537 C THR B 4 1.211 5.368 3.781 1.00 0.00 C ATOM 538 O THR B 4 0.080 5.635 3.381 1.00 0.00 O ATOM 539 CB THR B 4 1.238 4.907 6.250 1.00 0.00 C ATOM 540 OG1 THR B 4 2.448 5.518 6.693 1.00 0.00 O ATOM 541 CG2 THR B 4 0.764 3.842 7.275 1.00 0.00 C ATOM 0 H THR B 4 3.270 3.613 5.304 1.00 0.00 H new ATOM 0 HA THR B 4 0.544 3.578 4.753 1.00 0.00 H new ATOM 0 HB THR B 4 0.489 5.695 6.179 1.00 0.00 H new ATOM 0 HG1 THR B 4 2.315 5.897 7.587 1.00 0.00 H new ATOM 0 HG21 THR B 4 0.679 4.299 8.261 1.00 0.00 H new ATOM 0 HG22 THR B 4 -0.207 3.452 6.971 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.487 3.027 7.313 1.00 0.00 H new ATOM 549 N ARG B 5 2.323 5.992 3.294 1.00 0.00 N ATOM 550 CA ARG B 5 2.351 7.028 2.271 1.00 0.00 C ATOM 551 C ARG B 5 1.673 6.559 0.974 1.00 0.00 C ATOM 552 O ARG B 5 0.791 7.266 0.474 1.00 0.00 O ATOM 553 CB ARG B 5 3.804 7.573 2.097 1.00 0.00 C ATOM 554 CG ARG B 5 3.908 8.959 1.421 1.00 0.00 C ATOM 555 CD ARG B 5 5.271 9.649 1.620 1.00 0.00 C ATOM 556 NE ARG B 5 5.267 10.956 0.868 1.00 0.00 N ATOM 557 CZ ARG B 5 6.133 12.002 1.073 1.00 0.00 C ATOM 558 NH1 ARG B 5 7.121 11.983 2.017 1.00 0.00 N ATOM 559 NH2 ARG B 5 5.997 13.117 0.291 1.00 0.00 N ATOM 0 H ARG B 5 3.257 5.760 3.633 1.00 0.00 H new ATOM 0 HA ARG B 5 1.752 7.879 2.593 1.00 0.00 H new ATOM 0 HB2 ARG B 5 4.275 7.629 3.079 1.00 0.00 H new ATOM 0 HB3 ARG B 5 4.377 6.855 1.509 1.00 0.00 H new ATOM 0 HG2 ARG B 5 3.721 8.847 0.353 1.00 0.00 H new ATOM 0 HG3 ARG B 5 3.124 9.605 1.816 1.00 0.00 H new ATOM 0 HD2 ARG B 5 5.455 9.824 2.680 1.00 0.00 H new ATOM 0 HD3 ARG B 5 6.075 9.008 1.259 1.00 0.00 H new ATOM 0 HE ARG B 5 4.559 11.074 0.143 1.00 0.00 H new ATOM 0 HH11 ARG B 5 7.242 11.163 2.612 1.00 0.00 H new ATOM 0 HH12 ARG B 5 7.737 12.789 2.127 1.00 0.00 H new ATOM 0 HH21 ARG B 5 5.267 13.155 -0.421 1.00 0.00 H new ATOM 0 HH22 ARG B 5 6.625 13.910 0.420 1.00 0.00 H new ATOM 573 N ARG B 6 2.017 5.335 0.450 1.00 0.00 N ATOM 574 CA ARG B 6 1.386 4.710 -0.713 1.00 0.00 C ATOM 575 C ARG B 6 -0.043 4.259 -0.370 1.00 0.00 C ATOM 576 O ARG B 6 -0.956 4.505 -1.165 1.00 0.00 O ATOM 577 CB ARG B 6 2.179 3.540 -1.380 1.00 0.00 C ATOM 578 CG ARG B 6 2.463 2.286 -0.512 1.00 0.00 C ATOM 579 CD ARG B 6 3.093 1.104 -1.264 1.00 0.00 C ATOM 580 NE ARG B 6 2.046 0.259 -1.960 1.00 0.00 N ATOM 581 CZ ARG B 6 1.822 0.180 -3.311 1.00 0.00 C ATOM 582 NH1 ARG B 6 2.283 1.118 -4.188 1.00 0.00 N ATOM 583 NH2 ARG B 6 1.140 -0.905 -3.805 1.00 0.00 N ATOM 0 H ARG B 6 2.760 4.762 0.851 1.00 0.00 H new ATOM 0 HA ARG B 6 1.374 5.496 -1.468 1.00 0.00 H new ATOM 0 HB2 ARG B 6 1.628 3.220 -2.264 1.00 0.00 H new ATOM 0 HB3 ARG B 6 3.135 3.934 -1.726 1.00 0.00 H new ATOM 0 HG2 ARG B 6 3.125 2.571 0.306 1.00 0.00 H new ATOM 0 HG3 ARG B 6 1.527 1.954 -0.063 1.00 0.00 H new ATOM 0 HD2 ARG B 6 3.805 1.479 -1.999 1.00 0.00 H new ATOM 0 HD3 ARG B 6 3.654 0.485 -0.564 1.00 0.00 H new ATOM 0 HE ARG B 6 1.446 -0.310 -1.363 1.00 0.00 H new ATOM 0 HH11 ARG B 6 2.817 1.917 -3.846 1.00 0.00 H new ATOM 0 HH12 ARG B 6 2.094 1.020 -5.185 1.00 0.00 H new ATOM 0 HH21 ARG B 6 0.811 -1.633 -3.170 1.00 0.00 H new ATOM 0 HH22 ARG B 6 0.963 -0.983 -4.806 1.00 0.00 H new ATOM 597 N HIS B 7 -0.256 3.597 0.825 1.00 0.00 N ATOM 598 CA HIS B 7 -1.509 3.097 1.369 1.00 0.00 C ATOM 599 C HIS B 7 -2.591 4.159 1.303 1.00 0.00 C ATOM 600 O HIS B 7 -3.605 3.880 0.689 1.00 0.00 O ATOM 601 CB HIS B 7 -1.396 2.535 2.816 1.00 0.00 C ATOM 602 CG HIS B 7 -2.688 2.043 3.417 1.00 0.00 C ATOM 603 ND1 HIS B 7 -3.741 2.749 3.888 1.00 0.00 N flip ATOM 604 CD2 HIS B 7 -2.995 0.721 3.570 1.00 0.00 C flip ATOM 605 CE1 HIS B 7 -4.669 1.851 4.328 1.00 0.00 C flip ATOM 606 NE2 HIS B 7 -4.200 0.632 4.115 1.00 0.00 N flip ATOM 0 H HIS B 7 0.523 3.402 1.454 1.00 0.00 H new ATOM 0 HA HIS B 7 -1.782 2.253 0.736 1.00 0.00 H new ATOM 0 HB2 HIS B 7 -0.679 1.714 2.815 1.00 0.00 H new ATOM 0 HB3 HIS B 7 -0.988 3.314 3.460 1.00 0.00 H new ATOM 0 HD1 HIS B 7 -3.826 3.765 3.910 1.00 0.00 H new ATOM 0 HD2 HIS B 7 -2.363 -0.110 3.294 1.00 0.00 H new ATOM 0 HE1 HIS B 7 -5.623 2.093 4.774 1.00 0.00 H new ATOM 615 N GLU B 8 -2.403 5.381 1.890 1.00 0.00 N ATOM 616 CA GLU B 8 -3.303 6.535 1.904 1.00 0.00 C ATOM 617 C GLU B 8 -4.044 6.733 0.567 1.00 0.00 C ATOM 618 O GLU B 8 -5.276 6.741 0.555 1.00 0.00 O ATOM 619 CB GLU B 8 -2.547 7.837 2.338 1.00 0.00 C ATOM 620 CG GLU B 8 -2.306 7.971 3.865 1.00 0.00 C ATOM 621 CD GLU B 8 -1.401 9.168 4.169 1.00 0.00 C ATOM 622 OE1 GLU B 8 -1.867 10.331 4.023 1.00 0.00 O ATOM 623 OE2 GLU B 8 -0.227 8.930 4.565 1.00 0.00 O ATOM 0 H GLU B 8 -1.543 5.580 2.401 1.00 0.00 H new ATOM 0 HA GLU B 8 -4.069 6.323 2.650 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -1.584 7.868 1.828 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -3.116 8.702 1.997 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -3.260 8.090 4.379 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -1.850 7.058 4.247 1.00 0.00 H new ATOM 630 N ARG B 9 -3.301 6.848 -0.577 1.00 0.00 N ATOM 631 CA ARG B 9 -3.799 7.005 -1.944 1.00 0.00 C ATOM 632 C ARG B 9 -4.577 5.764 -2.410 1.00 0.00 C ATOM 633 O ARG B 9 -5.748 5.880 -2.770 1.00 0.00 O ATOM 634 CB ARG B 9 -2.666 7.313 -2.986 1.00 0.00 C ATOM 635 CG ARG B 9 -1.701 8.477 -2.647 1.00 0.00 C ATOM 636 CD ARG B 9 -0.542 8.635 -3.649 1.00 0.00 C ATOM 637 NE ARG B 9 0.446 9.634 -3.095 1.00 0.00 N ATOM 638 CZ ARG B 9 1.784 9.415 -2.878 1.00 0.00 C ATOM 639 NH1 ARG B 9 2.405 8.232 -3.165 1.00 0.00 N ATOM 640 NH2 ARG B 9 2.531 10.433 -2.350 1.00 0.00 N ATOM 0 H ARG B 9 -2.282 6.830 -0.546 1.00 0.00 H new ATOM 0 HA ARG B 9 -4.466 7.867 -1.905 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -2.073 6.408 -3.120 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -3.137 7.530 -3.945 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -2.267 9.408 -2.611 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -1.289 8.316 -1.651 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -0.054 7.675 -3.817 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -0.920 8.973 -4.614 1.00 0.00 H new ATOM 0 HE ARG B 9 0.085 10.559 -2.860 1.00 0.00 H new ATOM 0 HH11 ARG B 9 1.871 7.458 -3.560 1.00 0.00 H new ATOM 0 HH12 ARG B 9 3.403 8.123 -2.984 1.00 0.00 H new ATOM 0 HH21 ARG B 9 2.091 11.326 -2.128 1.00 0.00 H new ATOM 0 HH22 ARG B 9 3.527 10.298 -2.178 1.00 0.00 H new ATOM 654 N ARG B 10 -3.937 4.551 -2.398 1.00 0.00 N ATOM 655 CA ARG B 10 -4.462 3.242 -2.785 1.00 0.00 C ATOM 656 C ARG B 10 -5.753 2.878 -2.027 1.00 0.00 C ATOM 657 O ARG B 10 -6.704 2.417 -2.654 1.00 0.00 O ATOM 658 CB ARG B 10 -3.320 2.179 -2.626 1.00 0.00 C ATOM 659 CG ARG B 10 -3.553 0.733 -3.135 1.00 0.00 C ATOM 660 CD ARG B 10 -2.262 -0.125 -3.113 1.00 0.00 C ATOM 661 NE ARG B 10 -2.577 -1.585 -3.344 1.00 0.00 N ATOM 662 CZ ARG B 10 -2.247 -2.351 -4.431 1.00 0.00 C ATOM 663 NH1 ARG B 10 -1.661 -1.865 -5.557 1.00 0.00 N ATOM 664 NH2 ARG B 10 -2.535 -3.685 -4.352 1.00 0.00 N ATOM 0 H ARG B 10 -2.967 4.482 -2.090 1.00 0.00 H new ATOM 0 HA ARG B 10 -4.766 3.265 -3.831 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -2.438 2.567 -3.135 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -3.075 2.118 -1.566 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -4.313 0.253 -2.519 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -3.943 0.769 -4.152 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -1.574 0.228 -3.881 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -1.758 -0.005 -2.154 1.00 0.00 H new ATOM 0 HE ARG B 10 -3.097 -2.056 -2.603 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -1.440 -0.872 -5.629 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -1.442 -2.493 -6.330 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -2.974 -4.063 -3.513 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -2.311 -4.302 -5.133 1.00 0.00 H new ATOM 678 N ARG B 11 -5.824 3.126 -0.678 1.00 0.00 N ATOM 679 CA ARG B 11 -6.912 2.961 0.271 1.00 0.00 C ATOM 680 C ARG B 11 -8.143 3.660 -0.269 1.00 0.00 C ATOM 681 O ARG B 11 -9.134 2.969 -0.481 1.00 0.00 O ATOM 682 CB ARG B 11 -6.513 3.439 1.691 1.00 0.00 C ATOM 683 CG ARG B 11 -7.541 3.208 2.811 1.00 0.00 C ATOM 684 CD ARG B 11 -7.498 4.244 3.934 1.00 0.00 C ATOM 685 NE ARG B 11 -8.343 3.696 5.057 1.00 0.00 N ATOM 686 CZ ARG B 11 -8.265 4.049 6.380 1.00 0.00 C ATOM 687 NH1 ARG B 11 -7.492 5.079 6.834 1.00 0.00 N ATOM 688 NH2 ARG B 11 -8.995 3.317 7.276 1.00 0.00 N ATOM 0 H ARG B 11 -5.001 3.491 -0.199 1.00 0.00 H new ATOM 0 HA ARG B 11 -7.144 1.902 0.383 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.586 2.938 1.971 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.296 4.506 1.643 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.540 3.205 2.375 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -7.377 2.219 3.239 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.474 4.413 4.266 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -7.884 5.204 3.591 1.00 0.00 H new ATOM 0 HE ARG B 11 -9.040 2.995 4.808 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -6.937 5.628 6.178 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -7.470 5.300 7.830 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -9.571 2.540 6.951 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -8.964 3.548 8.269 1.00 0.00 H new ATOM 702 N LYS B 12 -8.097 5.008 -0.537 1.00 0.00 N ATOM 703 CA LYS B 12 -9.166 5.833 -1.106 1.00 0.00 C ATOM 704 C LYS B 12 -9.882 5.111 -2.253 1.00 0.00 C ATOM 705 O LYS B 12 -11.096 4.916 -2.179 1.00 0.00 O ATOM 706 CB LYS B 12 -8.679 7.257 -1.540 1.00 0.00 C ATOM 707 CG LYS B 12 -8.325 8.207 -0.367 1.00 0.00 C ATOM 708 CD LYS B 12 -7.703 9.555 -0.798 1.00 0.00 C ATOM 709 CE LYS B 12 -7.303 10.468 0.374 1.00 0.00 C ATOM 710 NZ LYS B 12 -6.715 11.736 -0.120 1.00 0.00 N ATOM 0 H LYS B 12 -7.259 5.556 -0.343 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.888 5.990 -0.304 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -7.802 7.147 -2.178 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -9.457 7.723 -2.145 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -9.229 8.406 0.208 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -7.629 7.697 0.299 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -6.821 9.357 -1.407 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -8.415 10.085 -1.430 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -8.178 10.683 0.988 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -6.584 9.954 1.012 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -6.453 12.335 0.689 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -5.868 11.528 -0.686 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -7.411 12.235 -0.710 1.00 0.00 H new ATOM 724 N LEU B 13 -9.128 4.650 -3.297 1.00 0.00 N ATOM 725 CA LEU B 13 -9.618 3.903 -4.449 1.00 0.00 C ATOM 726 C LEU B 13 -10.197 2.549 -4.098 1.00 0.00 C ATOM 727 O LEU B 13 -11.336 2.294 -4.485 1.00 0.00 O ATOM 728 CB LEU B 13 -8.644 3.811 -5.635 1.00 0.00 C ATOM 729 CG LEU B 13 -8.328 5.182 -6.314 1.00 0.00 C ATOM 730 CD1 LEU B 13 -9.524 6.184 -6.436 1.00 0.00 C ATOM 731 CD2 LEU B 13 -7.035 5.827 -5.750 1.00 0.00 C ATOM 0 H LEU B 13 -8.121 4.807 -3.339 1.00 0.00 H new ATOM 0 HA LEU B 13 -10.442 4.523 -4.801 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -7.711 3.366 -5.290 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -9.062 3.136 -6.382 1.00 0.00 H new ATOM 0 HG LEU B 13 -8.136 4.924 -7.355 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -9.184 7.098 -6.923 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -10.319 5.731 -7.029 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -9.903 6.421 -5.442 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -6.854 6.778 -6.251 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -7.150 5.997 -4.679 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -6.190 5.160 -5.923 1.00 0.00 H new ATOM 743 N ALA B 14 -9.446 1.685 -3.347 1.00 0.00 N ATOM 744 CA ALA B 14 -9.831 0.364 -2.861 1.00 0.00 C ATOM 745 C ALA B 14 -11.159 0.392 -2.151 1.00 0.00 C ATOM 746 O ALA B 14 -12.010 -0.450 -2.454 1.00 0.00 O ATOM 747 CB ALA B 14 -8.813 -0.257 -1.892 1.00 0.00 C ATOM 0 H ALA B 14 -8.499 1.929 -3.059 1.00 0.00 H new ATOM 0 HA ALA B 14 -9.883 -0.246 -3.763 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -9.166 -1.238 -1.573 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -7.851 -0.363 -2.394 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -8.699 0.389 -1.021 1.00 0.00 H new ATOM 753 N ILE B 15 -11.374 1.387 -1.221 1.00 0.00 N ATOM 754 CA ILE B 15 -12.624 1.562 -0.519 1.00 0.00 C ATOM 755 C ILE B 15 -13.704 1.821 -1.570 1.00 0.00 C ATOM 756 O ILE B 15 -14.669 1.057 -1.641 1.00 0.00 O ATOM 757 CB ILE B 15 -12.787 2.595 0.624 1.00 0.00 C ATOM 758 CG1 ILE B 15 -11.601 2.760 1.621 1.00 0.00 C ATOM 759 CG2 ILE B 15 -14.072 2.166 1.377 1.00 0.00 C ATOM 760 CD1 ILE B 15 -11.117 4.202 1.663 1.00 0.00 C ATOM 0 H ILE B 15 -10.662 2.071 -0.964 1.00 0.00 H new ATOM 0 HA ILE B 15 -12.694 0.633 0.047 1.00 0.00 H new ATOM 0 HB ILE B 15 -12.831 3.583 0.166 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -11.914 2.449 2.618 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -10.780 2.106 1.326 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -14.255 2.852 2.204 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -14.920 2.189 0.692 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -13.946 1.155 1.765 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -10.289 4.288 2.367 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -10.782 4.502 0.670 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -11.933 4.851 1.982 1.00 0.00 H new ATOM 772 N GLU B 16 -13.539 2.903 -2.393 1.00 0.00 N ATOM 773 CA GLU B 16 -14.453 3.327 -3.435 1.00 0.00 C ATOM 774 C GLU B 16 -14.771 2.257 -4.524 1.00 0.00 C ATOM 775 O GLU B 16 -15.701 2.463 -5.311 1.00 0.00 O ATOM 776 CB GLU B 16 -13.975 4.654 -4.132 1.00 0.00 C ATOM 777 CG GLU B 16 -14.040 5.925 -3.245 1.00 0.00 C ATOM 778 CD GLU B 16 -13.449 7.134 -3.979 1.00 0.00 C ATOM 779 OE1 GLU B 16 -14.097 7.632 -4.938 1.00 0.00 O ATOM 780 OE2 GLU B 16 -12.340 7.581 -3.578 1.00 0.00 O ATOM 0 H GLU B 16 -12.723 3.510 -2.323 1.00 0.00 H new ATOM 0 HA GLU B 16 -15.385 3.499 -2.896 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -12.948 4.518 -4.470 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -14.584 4.819 -5.021 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -15.075 6.130 -2.972 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -13.493 5.755 -2.317 1.00 0.00 H new ATOM 787 N ARG B 17 -14.058 1.080 -4.567 1.00 0.00 N ATOM 788 CA ARG B 17 -14.310 -0.062 -5.450 1.00 0.00 C ATOM 789 C ARG B 17 -15.534 -0.786 -4.861 1.00 0.00 C ATOM 790 O ARG B 17 -16.553 -0.937 -5.540 1.00 0.00 O ATOM 791 CB ARG B 17 -13.144 -1.101 -5.618 1.00 0.00 C ATOM 792 CG ARG B 17 -11.791 -0.600 -6.178 1.00 0.00 C ATOM 793 CD ARG B 17 -10.760 -1.733 -6.384 1.00 0.00 C ATOM 794 NE ARG B 17 -9.352 -1.175 -6.318 1.00 0.00 N ATOM 795 CZ ARG B 17 -8.331 -1.676 -5.543 1.00 0.00 C ATOM 796 NH1 ARG B 17 -8.456 -2.820 -4.805 1.00 0.00 N ATOM 797 NH2 ARG B 17 -7.147 -0.993 -5.494 1.00 0.00 N ATOM 0 H ARG B 17 -13.262 0.919 -3.950 1.00 0.00 H new ATOM 0 HA ARG B 17 -14.446 0.341 -6.454 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -12.955 -1.549 -4.643 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -13.500 -1.898 -6.271 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -11.963 -0.097 -7.129 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -11.375 0.141 -5.496 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -10.892 -2.499 -5.620 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -10.924 -2.214 -7.348 1.00 0.00 H new ATOM 0 HE ARG B 17 -9.144 -0.361 -6.896 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -9.334 -3.340 -4.815 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -7.672 -3.154 -4.245 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -7.034 -0.130 -6.026 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -6.377 -1.347 -4.926 1.00 0.00 H new ATOM 811 N ASP B 18 -15.425 -1.208 -3.562 1.00 0.00 N ATOM 812 CA ASP B 18 -16.391 -1.879 -2.702 1.00 0.00 C ATOM 813 C ASP B 18 -17.694 -1.089 -2.542 1.00 0.00 C ATOM 814 O ASP B 18 -18.771 -1.667 -2.712 1.00 0.00 O ATOM 815 CB ASP B 18 -15.798 -2.207 -1.288 1.00 0.00 C ATOM 816 CG ASP B 18 -14.623 -3.195 -1.359 1.00 0.00 C ATOM 817 OD1 ASP B 18 -14.854 -4.375 -1.736 1.00 0.00 O ATOM 818 OD2 ASP B 18 -13.481 -2.778 -1.025 1.00 0.00 O ATOM 0 H ASP B 18 -14.551 -1.058 -3.059 1.00 0.00 H new ATOM 0 HA ASP B 18 -16.624 -2.815 -3.210 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -15.464 -1.284 -0.814 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -16.582 -2.624 -0.656 1.00 0.00 H new ATOM 823 N THR B 19 -17.596 0.238 -2.218 1.00 0.00 N ATOM 824 CA THR B 19 -18.647 1.241 -2.005 1.00 0.00 C ATOM 825 C THR B 19 -19.848 1.062 -2.971 1.00 0.00 C ATOM 826 O THR B 19 -19.652 1.097 -4.216 1.00 0.00 O ATOM 827 CB THR B 19 -18.152 2.704 -2.067 1.00 0.00 C ATOM 828 OG1 THR B 19 -17.586 3.020 -3.325 1.00 0.00 O ATOM 829 CG2 THR B 19 -17.231 3.085 -0.883 1.00 0.00 C ATOM 830 OXT THR B 19 -20.982 0.875 -2.452 1.00 0.00 O ATOM 0 H THR B 19 -16.675 0.657 -2.090 1.00 0.00 H new ATOM 0 HA THR B 19 -18.978 1.054 -0.984 1.00 0.00 H new ATOM 0 HB THR B 19 -19.038 3.330 -1.957 1.00 0.00 H new ATOM 0 HG1 THR B 19 -18.069 2.541 -4.031 1.00 0.00 H new ATOM 0 HG21 THR B 19 -16.918 4.124 -0.985 1.00 0.00 H new ATOM 0 HG22 THR B 19 -17.773 2.960 0.054 1.00 0.00 H new ATOM 0 HG23 THR B 19 -16.353 2.440 -0.883 1.00 0.00 H new TER 838 THR B 19