USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=23 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 72:sc= 0.437 USER MOD Set 1.2: B 7 HIS :FLIP no HE2:sc= -0.772 F(o=-3.4,f=-0.33) USER MOD Single : A 4 G O2' : rot -5:sc= 0.088 USER MOD Single : A 4 G O5' : rot 180:sc= 0 USER MOD Single : A 5 C O2' : rot -17:sc= 0.0134 USER MOD Single : A 6 G O2' : rot -13:sc= 0.0769 USER MOD Single : A 7 C O2' : rot -119:sc= 0.792 USER MOD Single : A 8 U O2' : rot -14:sc= 0.111 USER MOD Single : A 9 G O2' : rot -174:sc= 0.471 USER MOD Single : A 10 A O2' : rot -103:sc= 0.133 USER MOD Single : A 12 A O2' : rot -21:sc= 0.0175 USER MOD Single : A 13 A O2' : rot -25:sc= 0.0154 USER MOD Single : A 14 A O2' : rot -65:sc= 0.0693 USER MOD Single : A 15 G O2' : rot -15:sc= 0.0836 USER MOD Single : A 16 C O2' : rot -22:sc= 0.0214 USER MOD Single : A 17 G O2' : rot -21:sc= 0.06 USER MOD Single : A 18 C O2' : rot -18:sc= 0.0694 USER MOD Single : A 18 C O3' : rot 180:sc= 0.0843 USER MOD Single : B 1 ASN :FLIP amide:sc= 0.295 F(o=-0.38,f=0.3) USER MOD Single : B 1 ASN N :NH3+ 140:sc= 0.757 (180deg=0.138) USER MOD Single : B 3 LYS NZ :NH3+ -178:sc= -0.277 (180deg=-0.279) 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 -32:sc= -0.0696 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 4 9.569 6.563 7.570 1.00 0.00 O ATOM 2 C5' G A 4 10.656 5.793 7.073 1.00 0.00 C ATOM 3 C4' G A 4 11.258 6.468 5.831 1.00 0.00 C ATOM 4 O4' G A 4 12.394 5.701 5.346 1.00 0.00 O ATOM 5 C3' G A 4 10.312 6.528 4.627 1.00 0.00 C ATOM 6 O3' G A 4 9.466 7.681 4.660 1.00 0.00 O ATOM 7 C2' G A 4 11.251 6.519 3.430 1.00 0.00 C ATOM 8 O2' G A 4 11.508 7.787 2.830 1.00 0.00 O ATOM 9 C1' G A 4 12.523 5.865 3.925 1.00 0.00 C ATOM 10 N9 G A 4 12.812 4.586 3.244 1.00 0.00 N ATOM 11 C8 G A 4 12.749 3.342 3.753 1.00 0.00 C ATOM 12 N7 G A 4 13.070 2.388 2.914 1.00 0.00 N ATOM 13 C5 G A 4 13.371 3.050 1.749 1.00 0.00 C ATOM 14 C6 G A 4 13.776 2.521 0.515 1.00 0.00 C ATOM 15 O6 G A 4 13.948 1.321 0.278 1.00 0.00 O ATOM 16 N1 G A 4 13.983 3.553 -0.451 1.00 0.00 N ATOM 17 C2 G A 4 13.819 4.932 -0.240 1.00 0.00 C ATOM 18 N2 G A 4 14.085 5.672 -1.353 1.00 0.00 N ATOM 19 N3 G A 4 13.427 5.398 0.974 1.00 0.00 N ATOM 20 C4 G A 4 13.221 4.427 1.910 1.00 0.00 C ATOM 0 H5' G A 4 10.315 4.789 6.821 1.00 0.00 H new ATOM 0 H5'' G A 4 11.419 5.687 7.844 1.00 0.00 H new ATOM 0 H4' G A 4 11.505 7.475 6.168 1.00 0.00 H new ATOM 0 H3' G A 4 9.609 5.696 4.603 1.00 0.00 H new ATOM 0 H2' G A 4 10.776 5.974 2.614 1.00 0.00 H new ATOM 0 HO2' G A 4 10.958 8.472 3.265 1.00 0.00 H new ATOM 0 HO5' G A 4 9.191 6.124 8.360 1.00 0.00 H new ATOM 0 H1' G A 4 13.376 6.501 3.691 1.00 0.00 H new ATOM 0 H8 G A 4 12.457 3.145 4.774 1.00 0.00 H new ATOM 0 H1 G A 4 14.278 3.261 -1.383 1.00 0.00 H new ATOM 0 H21 G A 4 14.000 6.688 -1.322 1.00 0.00 H new ATOM 0 H22 G A 4 14.369 5.210 -2.217 1.00 0.00 H new ATOM 33 P C A 5 8.080 7.807 3.898 1.00 0.00 P ATOM 34 OP1 C A 5 7.561 9.165 4.185 1.00 0.00 O ATOM 35 OP2 C A 5 7.215 6.673 4.288 1.00 0.00 O ATOM 36 O5' C A 5 8.435 7.665 2.343 1.00 0.00 O ATOM 37 C5' C A 5 8.673 8.778 1.489 1.00 0.00 C ATOM 38 C4' C A 5 8.873 8.409 -0.012 1.00 0.00 C ATOM 39 O4' C A 5 10.143 7.721 -0.281 1.00 0.00 O ATOM 40 C3' C A 5 7.798 7.531 -0.662 1.00 0.00 C ATOM 41 O3' C A 5 6.619 8.268 -1.005 1.00 0.00 O ATOM 42 C2' C A 5 8.543 6.905 -1.853 1.00 0.00 C ATOM 43 O2' C A 5 8.549 7.696 -3.039 1.00 0.00 O ATOM 44 C1' C A 5 9.968 6.712 -1.310 1.00 0.00 C ATOM 45 N1 C A 5 10.197 5.335 -0.770 1.00 0.00 N ATOM 46 C2 C A 5 10.589 4.274 -1.664 1.00 0.00 C ATOM 47 O2 C A 5 10.748 4.451 -2.887 1.00 0.00 O ATOM 48 N3 C A 5 10.791 3.024 -1.127 1.00 0.00 N ATOM 49 C4 C A 5 10.635 2.776 0.198 1.00 0.00 C ATOM 50 N4 C A 5 10.823 1.523 0.698 1.00 0.00 N ATOM 51 C5 C A 5 10.247 3.848 1.089 1.00 0.00 C ATOM 52 C6 C A 5 10.044 5.062 0.567 1.00 0.00 C ATOM 0 H5' C A 5 9.558 9.307 1.841 1.00 0.00 H new ATOM 0 H5'' C A 5 7.834 9.469 1.572 1.00 0.00 H new ATOM 0 H4' C A 5 8.830 9.405 -0.453 1.00 0.00 H new ATOM 0 H3' C A 5 7.391 6.767 0.000 1.00 0.00 H new ATOM 0 H2' C A 5 8.053 5.987 -2.178 1.00 0.00 H new ATOM 0 HO2' C A 5 7.851 8.381 -2.979 1.00 0.00 H new ATOM 0 H1' C A 5 10.699 6.823 -2.111 1.00 0.00 H new ATOM 0 H41 C A 5 10.703 1.349 1.696 1.00 0.00 H new ATOM 0 H42 C A 5 11.084 0.759 0.075 1.00 0.00 H new ATOM 0 H5 C A 5 10.125 3.672 2.148 1.00 0.00 H new ATOM 0 H6 C A 5 9.746 5.864 1.226 1.00 0.00 H new ATOM 64 P G A 6 5.231 7.557 -1.341 1.00 0.00 P ATOM 65 OP1 G A 6 4.174 8.592 -1.366 1.00 0.00 O ATOM 66 OP2 G A 6 5.013 6.409 -0.428 1.00 0.00 O ATOM 67 O5' G A 6 5.481 7.065 -2.829 1.00 0.00 O ATOM 68 C5' G A 6 5.061 5.796 -3.304 1.00 0.00 C ATOM 69 C4' G A 6 5.835 5.432 -4.588 1.00 0.00 C ATOM 70 O4' G A 6 7.217 5.059 -4.277 1.00 0.00 O ATOM 71 C3' G A 6 5.255 4.226 -5.327 1.00 0.00 C ATOM 72 O3' G A 6 4.348 4.654 -6.351 1.00 0.00 O ATOM 73 C2' G A 6 6.479 3.482 -5.887 1.00 0.00 C ATOM 74 O2' G A 6 6.910 3.966 -7.160 1.00 0.00 O ATOM 75 C1' G A 6 7.541 3.772 -4.821 1.00 0.00 C ATOM 76 N9 G A 6 7.776 2.758 -3.744 1.00 0.00 N ATOM 77 C8 G A 6 7.606 2.890 -2.400 1.00 0.00 C ATOM 78 N7 G A 6 7.936 1.843 -1.689 1.00 0.00 N ATOM 79 C5 G A 6 8.360 0.930 -2.612 1.00 0.00 C ATOM 80 C6 G A 6 8.828 -0.369 -2.391 1.00 0.00 C ATOM 81 O6 G A 6 8.947 -0.909 -1.287 1.00 0.00 O ATOM 82 N1 G A 6 9.171 -1.012 -3.611 1.00 0.00 N ATOM 83 C2 G A 6 9.070 -0.455 -4.901 1.00 0.00 C ATOM 84 N2 G A 6 9.457 -1.317 -5.882 1.00 0.00 N ATOM 85 N3 G A 6 8.612 0.815 -5.069 1.00 0.00 N ATOM 86 C4 G A 6 8.277 1.449 -3.909 1.00 0.00 C ATOM 0 H5' G A 6 3.990 5.810 -3.507 1.00 0.00 H new ATOM 0 H5'' G A 6 5.231 5.038 -2.540 1.00 0.00 H new ATOM 0 H4' G A 6 5.766 6.325 -5.209 1.00 0.00 H new ATOM 0 H3' G A 6 4.668 3.572 -4.682 1.00 0.00 H new ATOM 0 H2' G A 6 6.272 2.426 -6.063 1.00 0.00 H new ATOM 0 HO2' G A 6 6.217 4.545 -7.541 1.00 0.00 H new ATOM 0 H1' G A 6 8.504 3.733 -5.330 1.00 0.00 H new ATOM 0 H8 G A 6 7.225 3.796 -1.952 1.00 0.00 H new ATOM 0 H1 G A 6 9.524 -1.967 -3.547 1.00 0.00 H new ATOM 0 H21 G A 6 9.427 -1.025 -6.859 1.00 0.00 H new ATOM 0 H22 G A 6 9.777 -2.255 -5.640 1.00 0.00 H new ATOM 98 P C A 7 3.037 3.844 -6.709 1.00 0.00 P ATOM 99 OP1 C A 7 2.439 4.424 -7.933 1.00 0.00 O ATOM 100 OP2 C A 7 2.167 3.777 -5.511 1.00 0.00 O ATOM 101 O5' C A 7 3.596 2.403 -7.006 1.00 0.00 O ATOM 102 C5' C A 7 4.109 1.933 -8.243 1.00 0.00 C ATOM 103 C4' C A 7 4.409 0.410 -8.193 1.00 0.00 C ATOM 104 O4' C A 7 5.622 0.113 -7.413 1.00 0.00 O ATOM 105 C3' C A 7 3.315 -0.393 -7.488 1.00 0.00 C ATOM 106 O3' C A 7 2.202 -0.669 -8.338 1.00 0.00 O ATOM 107 C2' C A 7 4.036 -1.612 -6.946 1.00 0.00 C ATOM 108 O2' C A 7 4.056 -2.734 -7.827 1.00 0.00 O ATOM 109 C1' C A 7 5.471 -1.141 -6.703 1.00 0.00 C ATOM 110 N1 C A 7 5.660 -1.028 -5.231 1.00 0.00 N ATOM 111 C2 C A 7 6.068 -2.184 -4.463 1.00 0.00 C ATOM 112 O2 C A 7 6.354 -3.273 -4.994 1.00 0.00 O ATOM 113 N3 C A 7 6.135 -2.058 -3.089 1.00 0.00 N ATOM 114 C4 C A 7 5.829 -0.888 -2.468 1.00 0.00 C ATOM 115 N4 C A 7 5.874 -0.781 -1.106 1.00 0.00 N ATOM 116 C5 C A 7 5.433 0.247 -3.271 1.00 0.00 C ATOM 117 C6 C A 7 5.369 0.136 -4.580 1.00 0.00 C ATOM 0 H5' C A 7 5.021 2.477 -8.490 1.00 0.00 H new ATOM 0 H5'' C A 7 3.391 2.138 -9.037 1.00 0.00 H new ATOM 0 H4' C A 7 4.502 0.132 -9.243 1.00 0.00 H new ATOM 0 H3' C A 7 2.838 0.155 -6.676 1.00 0.00 H new ATOM 0 H2' C A 7 3.516 -1.967 -6.056 1.00 0.00 H new ATOM 0 HO2' C A 7 3.595 -3.489 -7.406 1.00 0.00 H new ATOM 0 H1' C A 7 6.235 -1.826 -7.071 1.00 0.00 H new ATOM 0 H41 C A 7 5.641 0.104 -0.656 1.00 0.00 H new ATOM 0 H42 C A 7 6.140 -1.587 -0.540 1.00 0.00 H new ATOM 0 H5 C A 7 5.190 1.186 -2.796 1.00 0.00 H new ATOM 0 H6 C A 7 5.075 0.998 -5.161 1.00 0.00 H new ATOM 129 P U A 8 0.730 -0.957 -7.807 1.00 0.00 P ATOM 130 OP1 U A 8 -0.183 -0.999 -8.974 1.00 0.00 O ATOM 131 OP2 U A 8 0.388 0.024 -6.756 1.00 0.00 O ATOM 132 O5' U A 8 0.851 -2.420 -7.147 1.00 0.00 O ATOM 133 C5' U A 8 0.973 -3.535 -8.041 1.00 0.00 C ATOM 134 C4' U A 8 1.311 -4.893 -7.375 1.00 0.00 C ATOM 135 O4' U A 8 2.580 -4.935 -6.676 1.00 0.00 O ATOM 136 C3' U A 8 0.288 -5.463 -6.410 1.00 0.00 C ATOM 137 O3' U A 8 -0.761 -6.075 -7.160 1.00 0.00 O ATOM 138 C2' U A 8 1.109 -6.493 -5.613 1.00 0.00 C ATOM 139 O2' U A 8 1.178 -7.784 -6.224 1.00 0.00 O ATOM 140 C1' U A 8 2.509 -5.852 -5.564 1.00 0.00 C ATOM 141 N1 U A 8 2.864 -5.170 -4.273 1.00 0.00 N ATOM 142 C2 U A 8 3.103 -5.979 -3.107 1.00 0.00 C ATOM 143 O2 U A 8 3.042 -7.216 -3.071 1.00 0.00 O ATOM 144 N3 U A 8 3.427 -5.243 -1.942 1.00 0.00 N ATOM 145 C4 U A 8 3.534 -3.830 -1.833 1.00 0.00 C ATOM 146 O4 U A 8 3.818 -3.283 -0.764 1.00 0.00 O ATOM 147 C5 U A 8 3.275 -3.115 -3.068 1.00 0.00 C ATOM 148 C6 U A 8 2.963 -3.787 -4.194 1.00 0.00 C ATOM 0 H5' U A 8 1.747 -3.307 -8.774 1.00 0.00 H new ATOM 0 H5'' U A 8 0.037 -3.642 -8.589 1.00 0.00 H new ATOM 0 H4' U A 8 1.333 -5.509 -8.274 1.00 0.00 H new ATOM 0 H3' U A 8 -0.190 -4.732 -5.758 1.00 0.00 H new ATOM 0 H2' U A 8 0.658 -6.687 -4.640 1.00 0.00 H new ATOM 0 HO2' U A 8 0.507 -7.846 -6.935 1.00 0.00 H new ATOM 0 H1' U A 8 3.248 -6.650 -5.631 1.00 0.00 H new ATOM 0 H3 U A 8 3.602 -5.782 -1.094 1.00 0.00 H new ATOM 0 H5 U A 8 3.333 -2.037 -3.086 1.00 0.00 H new ATOM 0 H6 U A 8 2.778 -3.214 -5.091 1.00 0.00 H new ATOM 159 P G A 9 -2.297 -5.946 -6.856 1.00 0.00 P ATOM 160 OP1 G A 9 -3.045 -6.783 -7.824 1.00 0.00 O ATOM 161 OP2 G A 9 -2.656 -4.512 -6.809 1.00 0.00 O ATOM 162 O5' G A 9 -2.410 -6.567 -5.401 1.00 0.00 O ATOM 163 C5' G A 9 -2.323 -7.974 -5.174 1.00 0.00 C ATOM 164 C4' G A 9 -2.275 -8.339 -3.668 1.00 0.00 C ATOM 165 O4' G A 9 -0.979 -8.004 -3.063 1.00 0.00 O ATOM 166 C3' G A 9 -3.311 -7.611 -2.803 1.00 0.00 C ATOM 167 O3' G A 9 -4.587 -8.240 -2.879 1.00 0.00 O ATOM 168 C2' G A 9 -2.666 -7.629 -1.410 1.00 0.00 C ATOM 169 O2' G A 9 -2.921 -8.835 -0.687 1.00 0.00 O ATOM 170 C1' G A 9 -1.160 -7.479 -1.733 1.00 0.00 C ATOM 171 N9 G A 9 -0.615 -6.077 -1.666 1.00 0.00 N ATOM 172 C8 G A 9 -0.430 -5.167 -2.671 1.00 0.00 C ATOM 173 N7 G A 9 0.038 -4.005 -2.295 1.00 0.00 N ATOM 174 C5 G A 9 0.189 -4.124 -0.946 1.00 0.00 C ATOM 175 C6 G A 9 0.660 -3.164 -0.046 1.00 0.00 C ATOM 176 O6 G A 9 1.014 -2.027 -0.353 1.00 0.00 O ATOM 177 N1 G A 9 0.677 -3.659 1.281 1.00 0.00 N ATOM 178 C2 G A 9 0.278 -4.942 1.682 1.00 0.00 C ATOM 179 N2 G A 9 0.419 -5.139 3.013 1.00 0.00 N ATOM 180 N3 G A 9 -0.177 -5.850 0.776 1.00 0.00 N ATOM 181 C4 G A 9 -0.200 -5.393 -0.503 1.00 0.00 C ATOM 0 H5' G A 9 -1.431 -8.362 -5.666 1.00 0.00 H new ATOM 0 H5'' G A 9 -3.180 -8.465 -5.635 1.00 0.00 H new ATOM 0 H4' G A 9 -2.476 -9.410 -3.673 1.00 0.00 H new ATOM 0 H3' G A 9 -3.531 -6.592 -3.121 1.00 0.00 H new ATOM 0 H2' G A 9 -3.064 -6.848 -0.762 1.00 0.00 H new ATOM 0 HO2' G A 9 -2.570 -8.751 0.224 1.00 0.00 H new ATOM 0 H1' G A 9 -0.604 -8.017 -0.966 1.00 0.00 H new ATOM 0 H8 G A 9 -0.655 -5.393 -3.703 1.00 0.00 H new ATOM 0 H1 G A 9 1.009 -3.026 2.009 1.00 0.00 H new ATOM 0 H21 G A 9 0.161 -6.035 3.426 1.00 0.00 H new ATOM 0 H22 G A 9 0.783 -4.391 3.603 1.00 0.00 H new ATOM 193 P A A 10 -5.858 -7.654 -3.648 1.00 0.00 P ATOM 194 OP1 A A 10 -6.638 -8.794 -4.185 1.00 0.00 O ATOM 195 OP2 A A 10 -5.445 -6.620 -4.624 1.00 0.00 O ATOM 196 O5' A A 10 -6.709 -6.935 -2.512 1.00 0.00 O ATOM 197 C5' A A 10 -7.147 -7.650 -1.355 1.00 0.00 C ATOM 198 C4' A A 10 -6.984 -6.822 -0.061 1.00 0.00 C ATOM 199 O4' A A 10 -7.004 -7.733 1.072 1.00 0.00 O ATOM 200 C3' A A 10 -5.660 -6.043 0.068 1.00 0.00 C ATOM 201 O3' A A 10 -5.851 -4.647 -0.197 1.00 0.00 O ATOM 202 C2' A A 10 -5.111 -6.375 1.465 1.00 0.00 C ATOM 203 O2' A A 10 -4.834 -5.241 2.278 1.00 0.00 O ATOM 204 C1' A A 10 -6.195 -7.229 2.129 1.00 0.00 C ATOM 205 N9 A A 10 -5.631 -8.410 2.828 1.00 0.00 N ATOM 206 C8 A A 10 -4.913 -9.457 2.326 1.00 0.00 C ATOM 207 N7 A A 10 -4.560 -10.351 3.223 1.00 0.00 N ATOM 208 C5 A A 10 -5.077 -9.868 4.400 1.00 0.00 C ATOM 209 C6 A A 10 -5.022 -10.395 5.709 1.00 0.00 C ATOM 210 N6 A A 10 -4.365 -11.575 5.940 1.00 0.00 N ATOM 211 N1 A A 10 -5.660 -9.636 6.665 1.00 0.00 N ATOM 212 C2 A A 10 -6.266 -8.494 6.310 1.00 0.00 C ATOM 213 N3 A A 10 -6.370 -7.925 5.126 1.00 0.00 N ATOM 214 C4 A A 10 -5.745 -8.670 4.190 1.00 0.00 C ATOM 0 H5' A A 10 -6.579 -8.576 -1.266 1.00 0.00 H new ATOM 0 H5'' A A 10 -8.194 -7.928 -1.477 1.00 0.00 H new ATOM 0 H4' A A 10 -7.799 -6.098 -0.089 1.00 0.00 H new ATOM 0 H3' A A 10 -4.921 -6.337 -0.677 1.00 0.00 H new ATOM 0 H2' A A 10 -4.150 -6.878 1.359 1.00 0.00 H new ATOM 0 HO2' A A 10 -3.868 -5.078 2.294 1.00 0.00 H new ATOM 0 H1' A A 10 -6.731 -6.618 2.856 1.00 0.00 H new ATOM 0 H8 A A 10 -4.657 -9.544 1.280 1.00 0.00 H new ATOM 0 H61 A A 10 -4.323 -11.959 6.884 1.00 0.00 H new ATOM 0 H62 A A 10 -3.918 -12.069 5.168 1.00 0.00 H new ATOM 0 H2 A A 10 -6.742 -7.958 7.118 1.00 0.00 H new ATOM 226 P C A 11 -5.032 -3.895 -1.350 1.00 0.00 P ATOM 227 OP1 C A 11 -5.911 -3.712 -2.529 1.00 0.00 O ATOM 228 OP2 C A 11 -3.729 -4.553 -1.590 1.00 0.00 O ATOM 229 O5' C A 11 -4.690 -2.490 -0.708 1.00 0.00 O ATOM 230 C5' C A 11 -5.682 -1.524 -0.405 1.00 0.00 C ATOM 231 C4' C A 11 -5.417 -0.794 0.930 1.00 0.00 C ATOM 232 O4' C A 11 -6.580 0.022 1.268 1.00 0.00 O ATOM 233 C3' C A 11 -5.244 -1.733 2.127 1.00 0.00 C ATOM 234 O3' C A 11 -3.955 -1.539 2.701 1.00 0.00 O ATOM 235 C2' C A 11 -6.393 -1.419 3.089 1.00 0.00 C ATOM 236 O2' C A 11 -6.080 -1.547 4.472 1.00 0.00 O ATOM 237 C1' C A 11 -6.857 -0.023 2.674 1.00 0.00 C ATOM 238 N1 C A 11 -8.330 0.127 2.957 1.00 0.00 N ATOM 239 C2 C A 11 -8.783 0.599 4.251 1.00 0.00 C ATOM 240 O2 C A 11 -7.990 0.918 5.161 1.00 0.00 O ATOM 241 N3 C A 11 -10.147 0.692 4.466 1.00 0.00 N ATOM 242 C4 C A 11 -11.049 0.357 3.503 1.00 0.00 C ATOM 243 N4 C A 11 -12.395 0.437 3.718 1.00 0.00 N ATOM 244 C5 C A 11 -10.582 -0.108 2.219 1.00 0.00 C ATOM 245 C6 C A 11 -9.275 -0.203 2.004 1.00 0.00 C ATOM 0 H5' C A 11 -6.656 -2.011 -0.360 1.00 0.00 H new ATOM 0 H5'' C A 11 -5.728 -0.792 -1.211 1.00 0.00 H new ATOM 0 H4' C A 11 -4.499 -0.228 0.770 1.00 0.00 H new ATOM 0 H3' C A 11 -5.290 -2.787 1.852 1.00 0.00 H new ATOM 0 H2' C A 11 -7.190 -2.158 3.003 1.00 0.00 H new ATOM 0 HO2' C A 11 -5.495 -0.809 4.745 1.00 0.00 H new ATOM 0 H1' C A 11 -6.361 0.785 3.212 1.00 0.00 H new ATOM 0 H41 C A 11 -13.046 0.179 2.976 1.00 0.00 H new ATOM 0 H42 C A 11 -12.749 0.755 4.620 1.00 0.00 H new ATOM 0 H5 C A 11 -11.285 -0.375 1.444 1.00 0.00 H new ATOM 0 H6 C A 11 -8.935 -0.554 1.041 1.00 0.00 H new ATOM 257 P A A 12 -2.644 -2.416 2.554 1.00 0.00 P ATOM 258 OP1 A A 12 -1.496 -1.595 3.002 1.00 0.00 O ATOM 259 OP2 A A 12 -2.559 -2.972 1.184 1.00 0.00 O ATOM 260 O5' A A 12 -2.845 -3.619 3.570 1.00 0.00 O ATOM 261 C5' A A 12 -3.089 -3.397 4.955 1.00 0.00 C ATOM 262 C4' A A 12 -2.865 -4.650 5.831 1.00 0.00 C ATOM 263 O4' A A 12 -3.424 -5.852 5.202 1.00 0.00 O ATOM 264 C3' A A 12 -1.399 -5.018 6.059 1.00 0.00 C ATOM 265 O3' A A 12 -0.740 -4.199 7.030 1.00 0.00 O ATOM 266 C2' A A 12 -1.491 -6.490 6.455 1.00 0.00 C ATOM 267 O2' A A 12 -1.756 -6.716 7.839 1.00 0.00 O ATOM 268 C1' A A 12 -2.636 -6.997 5.566 1.00 0.00 C ATOM 269 N9 A A 12 -2.205 -7.786 4.365 1.00 0.00 N ATOM 270 C8 A A 12 -2.201 -7.459 3.031 1.00 0.00 C ATOM 271 N7 A A 12 -1.797 -8.418 2.237 1.00 0.00 N ATOM 272 C5 A A 12 -1.505 -9.460 3.072 1.00 0.00 C ATOM 273 C6 A A 12 -1.032 -10.751 2.766 1.00 0.00 C ATOM 274 N6 A A 12 -0.832 -11.101 1.458 1.00 0.00 N ATOM 275 N1 A A 12 -0.834 -11.568 3.853 1.00 0.00 N ATOM 276 C2 A A 12 -1.092 -11.115 5.085 1.00 0.00 C ATOM 277 N3 A A 12 -1.543 -9.923 5.471 1.00 0.00 N ATOM 278 C4 A A 12 -1.736 -9.117 4.397 1.00 0.00 C ATOM 0 H5' A A 12 -4.115 -3.052 5.084 1.00 0.00 H new ATOM 0 H5'' A A 12 -2.438 -2.597 5.307 1.00 0.00 H new ATOM 0 H4' A A 12 -3.345 -4.374 6.770 1.00 0.00 H new ATOM 0 H3' A A 12 -0.776 -4.850 5.180 1.00 0.00 H new ATOM 0 H2' A A 12 -0.543 -7.008 6.312 1.00 0.00 H new ATOM 0 HO2' A A 12 -1.502 -5.922 8.355 1.00 0.00 H new ATOM 0 H1' A A 12 -3.219 -7.720 6.137 1.00 0.00 H new ATOM 0 H8 A A 12 -2.506 -6.489 2.667 1.00 0.00 H new ATOM 0 H61 A A 12 -0.490 -12.033 1.226 1.00 0.00 H new ATOM 0 H62 A A 12 -1.025 -10.429 0.715 1.00 0.00 H new ATOM 0 H2 A A 12 -0.908 -11.819 5.883 1.00 0.00 H new ATOM 290 P A A 13 0.805 -3.820 6.880 1.00 0.00 P ATOM 291 OP1 A A 13 1.146 -2.810 7.910 1.00 0.00 O ATOM 292 OP2 A A 13 1.086 -3.449 5.476 1.00 0.00 O ATOM 293 O5' A A 13 1.574 -5.183 7.182 1.00 0.00 O ATOM 294 C5' A A 13 1.643 -5.727 8.498 1.00 0.00 C ATOM 295 C4' A A 13 2.044 -7.225 8.522 1.00 0.00 C ATOM 296 O4' A A 13 1.120 -8.048 7.723 1.00 0.00 O ATOM 297 C3' A A 13 3.419 -7.561 7.936 1.00 0.00 C ATOM 298 O3' A A 13 4.506 -7.322 8.834 1.00 0.00 O ATOM 299 C2' A A 13 3.265 -9.045 7.585 1.00 0.00 C ATOM 300 O2' A A 13 3.389 -9.929 8.702 1.00 0.00 O ATOM 301 C1' A A 13 1.846 -9.075 7.011 1.00 0.00 C ATOM 302 N9 A A 13 1.773 -8.900 5.517 1.00 0.00 N ATOM 303 C8 A A 13 1.405 -7.807 4.790 1.00 0.00 C ATOM 304 N7 A A 13 1.436 -7.964 3.494 1.00 0.00 N ATOM 305 C5 A A 13 1.855 -9.245 3.313 1.00 0.00 C ATOM 306 C6 A A 13 2.070 -9.952 2.118 1.00 0.00 C ATOM 307 N6 A A 13 1.840 -9.331 0.916 1.00 0.00 N ATOM 308 N1 A A 13 2.499 -11.245 2.283 1.00 0.00 N ATOM 309 C2 A A 13 2.679 -11.739 3.513 1.00 0.00 C ATOM 310 N3 A A 13 2.503 -11.151 4.700 1.00 0.00 N ATOM 311 C4 A A 13 2.079 -9.872 4.534 1.00 0.00 C ATOM 0 H5' A A 13 0.674 -5.609 8.984 1.00 0.00 H new ATOM 0 H5'' A A 13 2.364 -5.156 9.083 1.00 0.00 H new ATOM 0 H4' A A 13 2.031 -7.438 9.591 1.00 0.00 H new ATOM 0 H3' A A 13 3.678 -6.929 7.087 1.00 0.00 H new ATOM 0 H2' A A 13 4.048 -9.395 6.912 1.00 0.00 H new ATOM 0 HO2' A A 13 3.924 -9.499 9.401 1.00 0.00 H new ATOM 0 H1' A A 13 1.407 -10.062 7.156 1.00 0.00 H new ATOM 0 H8 A A 13 1.109 -6.877 5.253 1.00 0.00 H new ATOM 0 H61 A A 13 1.993 -9.836 0.043 1.00 0.00 H new ATOM 0 H62 A A 13 1.516 -8.364 0.895 1.00 0.00 H new ATOM 0 H2 A A 13 3.016 -12.764 3.553 1.00 0.00 H new ATOM 323 P A A 14 5.895 -6.728 8.316 1.00 0.00 P ATOM 324 OP1 A A 14 6.834 -6.673 9.460 1.00 0.00 O ATOM 325 OP2 A A 14 5.638 -5.451 7.609 1.00 0.00 O ATOM 326 O5' A A 14 6.420 -7.787 7.249 1.00 0.00 O ATOM 327 C5' A A 14 6.837 -9.099 7.604 1.00 0.00 C ATOM 328 C4' A A 14 7.031 -10.049 6.390 1.00 0.00 C ATOM 329 O4' A A 14 5.780 -10.266 5.647 1.00 0.00 O ATOM 330 C3' A A 14 8.029 -9.559 5.342 1.00 0.00 C ATOM 331 O3' A A 14 9.365 -9.920 5.705 1.00 0.00 O ATOM 332 C2' A A 14 7.508 -10.188 4.038 1.00 0.00 C ATOM 333 O2' A A 14 7.985 -11.515 3.818 1.00 0.00 O ATOM 334 C1' A A 14 5.986 -10.153 4.229 1.00 0.00 C ATOM 335 N9 A A 14 5.334 -8.905 3.693 1.00 0.00 N ATOM 336 C8 A A 14 4.860 -7.829 4.385 1.00 0.00 C ATOM 337 N7 A A 14 4.365 -6.865 3.659 1.00 0.00 N ATOM 338 C5 A A 14 4.503 -7.310 2.375 1.00 0.00 C ATOM 339 C6 A A 14 4.137 -6.685 1.172 1.00 0.00 C ATOM 340 N6 A A 14 3.551 -5.452 1.211 1.00 0.00 N ATOM 341 N1 A A 14 4.413 -7.401 0.037 1.00 0.00 N ATOM 342 C2 A A 14 4.989 -8.605 0.132 1.00 0.00 C ATOM 343 N3 A A 14 5.372 -9.282 1.219 1.00 0.00 N ATOM 344 C4 A A 14 5.097 -8.568 2.341 1.00 0.00 C ATOM 0 H5' A A 14 6.099 -9.534 8.279 1.00 0.00 H new ATOM 0 H5'' A A 14 7.775 -9.035 8.156 1.00 0.00 H new ATOM 0 H4' A A 14 7.404 -10.957 6.864 1.00 0.00 H new ATOM 0 H3' A A 14 8.093 -8.476 5.240 1.00 0.00 H new ATOM 0 H2' A A 14 7.853 -9.650 3.155 1.00 0.00 H new ATOM 0 HO2' A A 14 8.957 -11.497 3.695 1.00 0.00 H new ATOM 0 H1' A A 14 5.523 -10.963 3.665 1.00 0.00 H new ATOM 0 H8 A A 14 4.892 -7.779 5.463 1.00 0.00 H new ATOM 0 H61 A A 14 3.281 -4.988 0.344 1.00 0.00 H new ATOM 0 H62 A A 14 3.384 -4.995 2.107 1.00 0.00 H new ATOM 0 H2 A A 14 5.171 -9.103 -0.809 1.00 0.00 H new ATOM 356 P G A 15 10.643 -9.258 5.033 1.00 0.00 P ATOM 357 OP1 G A 15 11.836 -9.644 5.820 1.00 0.00 O ATOM 358 OP2 G A 15 10.409 -7.806 4.837 1.00 0.00 O ATOM 359 O5' G A 15 10.684 -10.041 3.649 1.00 0.00 O ATOM 360 C5' G A 15 11.070 -9.406 2.442 1.00 0.00 C ATOM 361 C4' G A 15 10.467 -10.131 1.221 1.00 0.00 C ATOM 362 O4' G A 15 9.014 -9.952 1.138 1.00 0.00 O ATOM 363 C3' G A 15 11.019 -9.579 -0.090 1.00 0.00 C ATOM 364 O3' G A 15 12.111 -10.380 -0.544 1.00 0.00 O ATOM 365 C2' G A 15 9.823 -9.584 -1.044 1.00 0.00 C ATOM 366 O2' G A 15 9.666 -10.795 -1.788 1.00 0.00 O ATOM 367 C1' G A 15 8.637 -9.359 -0.109 1.00 0.00 C ATOM 368 N9 G A 15 8.180 -7.945 0.113 1.00 0.00 N ATOM 369 C8 G A 15 8.103 -7.269 1.290 1.00 0.00 C ATOM 370 N7 G A 15 7.664 -6.036 1.199 1.00 0.00 N ATOM 371 C5 G A 15 7.423 -5.858 -0.136 1.00 0.00 C ATOM 372 C6 G A 15 6.939 -4.713 -0.792 1.00 0.00 C ATOM 373 O6 G A 15 6.649 -3.639 -0.249 1.00 0.00 O ATOM 374 N1 G A 15 6.826 -4.934 -2.197 1.00 0.00 N ATOM 375 C2 G A 15 7.145 -6.126 -2.878 1.00 0.00 C ATOM 376 N2 G A 15 6.939 -6.042 -4.221 1.00 0.00 N ATOM 377 N3 G A 15 7.611 -7.207 -2.200 1.00 0.00 N ATOM 378 C4 G A 15 7.729 -7.022 -0.856 1.00 0.00 C ATOM 0 H5' G A 15 12.157 -9.396 2.363 1.00 0.00 H new ATOM 0 H5'' G A 15 10.741 -8.367 2.452 1.00 0.00 H new ATOM 0 H4' G A 15 10.729 -11.180 1.358 1.00 0.00 H new ATOM 0 H3' G A 15 11.431 -8.574 -0.001 1.00 0.00 H new ATOM 0 H2' G A 15 9.937 -8.828 -1.821 1.00 0.00 H new ATOM 0 HO2' G A 15 10.488 -11.325 -1.727 1.00 0.00 H new ATOM 0 H1' G A 15 7.767 -9.807 -0.589 1.00 0.00 H new ATOM 0 H8 G A 15 8.383 -7.715 2.233 1.00 0.00 H new ATOM 0 H1 G A 15 6.482 -4.157 -2.761 1.00 0.00 H new ATOM 0 H21 G A 15 7.136 -6.845 -4.818 1.00 0.00 H new ATOM 0 H22 G A 15 6.588 -5.176 -4.630 1.00 0.00 H new ATOM 390 P C A 16 13.488 -9.762 -1.028 1.00 0.00 P ATOM 391 OP1 C A 16 14.414 -10.871 -1.360 1.00 0.00 O ATOM 392 OP2 C A 16 13.964 -8.775 -0.030 1.00 0.00 O ATOM 393 O5' C A 16 13.077 -8.985 -2.343 1.00 0.00 O ATOM 394 C5' C A 16 12.759 -9.650 -3.562 1.00 0.00 C ATOM 395 C4' C A 16 12.274 -8.667 -4.657 1.00 0.00 C ATOM 396 O4' C A 16 10.946 -8.113 -4.347 1.00 0.00 O ATOM 397 C3' C A 16 13.170 -7.435 -4.837 1.00 0.00 C ATOM 398 O3' C A 16 14.317 -7.726 -5.643 1.00 0.00 O ATOM 399 C2' C A 16 12.209 -6.398 -5.410 1.00 0.00 C ATOM 400 O2' C A 16 12.030 -6.500 -6.823 1.00 0.00 O ATOM 401 C1' C A 16 10.908 -6.697 -4.639 1.00 0.00 C ATOM 402 N1 C A 16 10.670 -5.864 -3.393 1.00 0.00 N ATOM 403 C2 C A 16 10.246 -4.489 -3.560 1.00 0.00 C ATOM 404 O2 C A 16 10.067 -3.975 -4.681 1.00 0.00 O ATOM 405 N3 C A 16 10.035 -3.730 -2.429 1.00 0.00 N ATOM 406 C4 C A 16 10.213 -4.233 -1.181 1.00 0.00 C ATOM 407 N4 C A 16 10.002 -3.478 -0.063 1.00 0.00 N ATOM 408 C5 C A 16 10.634 -5.599 -1.007 1.00 0.00 C ATOM 409 C6 C A 16 10.843 -6.352 -2.098 1.00 0.00 C ATOM 0 H5' C A 16 11.985 -10.395 -3.376 1.00 0.00 H new ATOM 0 H5'' C A 16 13.637 -10.186 -3.921 1.00 0.00 H new ATOM 0 H4' C A 16 12.280 -9.281 -5.558 1.00 0.00 H new ATOM 0 H3' C A 16 13.631 -7.070 -3.919 1.00 0.00 H new ATOM 0 H2' C A 16 12.575 -5.379 -5.287 1.00 0.00 H new ATOM 0 HO2' C A 16 12.795 -6.969 -7.217 1.00 0.00 H new ATOM 0 H1' C A 16 10.059 -6.416 -5.261 1.00 0.00 H new ATOM 0 H41 C A 16 10.144 -3.885 0.861 1.00 0.00 H new ATOM 0 H42 C A 16 9.702 -2.507 -0.152 1.00 0.00 H new ATOM 0 H5 C A 16 10.779 -6.009 -0.018 1.00 0.00 H new ATOM 0 H6 C A 16 11.158 -7.377 -1.968 1.00 0.00 H new ATOM 421 P G A 17 15.584 -6.768 -5.719 1.00 0.00 P ATOM 422 OP1 G A 17 16.717 -7.538 -6.281 1.00 0.00 O ATOM 423 OP2 G A 17 15.802 -6.117 -4.402 1.00 0.00 O ATOM 424 O5' G A 17 15.105 -5.710 -6.807 1.00 0.00 O ATOM 425 C5' G A 17 15.681 -4.411 -6.844 1.00 0.00 C ATOM 426 C4' G A 17 14.918 -3.499 -7.826 1.00 0.00 C ATOM 427 O4' G A 17 13.500 -3.394 -7.450 1.00 0.00 O ATOM 428 C3' G A 17 15.443 -2.054 -7.804 1.00 0.00 C ATOM 429 O3' G A 17 16.431 -1.843 -8.814 1.00 0.00 O ATOM 430 C2' G A 17 14.188 -1.196 -8.001 1.00 0.00 C ATOM 431 O2' G A 17 13.811 -1.049 -9.373 1.00 0.00 O ATOM 432 C1' G A 17 13.132 -2.022 -7.242 1.00 0.00 C ATOM 433 N9 G A 17 12.890 -1.766 -5.778 1.00 0.00 N ATOM 434 C8 G A 17 12.983 -2.639 -4.724 1.00 0.00 C ATOM 435 N7 G A 17 12.694 -2.132 -3.557 1.00 0.00 N ATOM 436 C5 G A 17 12.382 -0.833 -3.816 1.00 0.00 C ATOM 437 C6 G A 17 11.999 0.153 -2.905 1.00 0.00 C ATOM 438 O6 G A 17 11.880 -0.012 -1.687 1.00 0.00 O ATOM 439 N1 G A 17 11.753 1.392 -3.554 1.00 0.00 N ATOM 440 C2 G A 17 11.869 1.642 -4.936 1.00 0.00 C ATOM 441 N2 G A 17 11.568 2.927 -5.272 1.00 0.00 N ATOM 442 N3 G A 17 12.247 0.649 -5.789 1.00 0.00 N ATOM 443 C4 G A 17 12.487 -0.549 -5.183 1.00 0.00 C ATOM 0 H5' G A 17 16.727 -4.481 -7.144 1.00 0.00 H new ATOM 0 H5'' G A 17 15.664 -3.973 -5.846 1.00 0.00 H new ATOM 0 H4' G A 17 15.056 -3.953 -8.807 1.00 0.00 H new ATOM 0 H3' G A 17 15.955 -1.800 -6.876 1.00 0.00 H new ATOM 0 H2' G A 17 14.322 -0.172 -7.652 1.00 0.00 H new ATOM 0 HO2' G A 17 14.585 -1.230 -9.946 1.00 0.00 H new ATOM 0 H1' G A 17 12.171 -1.715 -7.654 1.00 0.00 H new ATOM 0 H8 G A 17 13.274 -3.671 -4.851 1.00 0.00 H new ATOM 0 H1 G A 17 11.466 2.174 -2.965 1.00 0.00 H new ATOM 0 H21 G A 17 11.617 3.224 -6.246 1.00 0.00 H new ATOM 0 H22 G A 17 11.293 3.592 -4.549 1.00 0.00 H new ATOM 455 P C A 18 17.812 -1.115 -8.530 1.00 0.00 P ATOM 456 OP1 C A 18 18.614 -1.124 -9.776 1.00 0.00 O ATOM 457 OP2 C A 18 18.445 -1.715 -7.331 1.00 0.00 O ATOM 458 O5' C A 18 17.384 0.370 -8.176 1.00 0.00 O ATOM 459 C5' C A 18 16.876 1.278 -9.151 1.00 0.00 C ATOM 460 C4' C A 18 16.333 2.580 -8.512 1.00 0.00 C ATOM 461 O4' C A 18 15.173 2.309 -7.661 1.00 0.00 O ATOM 462 C3' C A 18 17.332 3.307 -7.615 1.00 0.00 C ATOM 463 O3' C A 18 18.118 4.252 -8.339 1.00 0.00 O ATOM 464 C2' C A 18 16.508 3.909 -6.478 1.00 0.00 C ATOM 465 O2' C A 18 16.141 5.276 -6.661 1.00 0.00 O ATOM 466 C1' C A 18 15.256 3.019 -6.409 1.00 0.00 C ATOM 467 N1 C A 18 15.234 2.126 -5.209 1.00 0.00 N ATOM 468 C2 C A 18 14.960 2.681 -3.898 1.00 0.00 C ATOM 469 O2 C A 18 14.734 3.893 -3.714 1.00 0.00 O ATOM 470 N3 C A 18 14.952 1.820 -2.819 1.00 0.00 N ATOM 471 C4 C A 18 15.189 0.490 -2.969 1.00 0.00 C ATOM 472 N4 C A 18 15.179 -0.372 -1.911 1.00 0.00 N ATOM 473 C5 C A 18 15.457 -0.040 -4.282 1.00 0.00 C ATOM 474 C6 C A 18 15.468 0.785 -5.324 1.00 0.00 C ATOM 0 H5' C A 18 16.080 0.793 -9.716 1.00 0.00 H new ATOM 0 H5'' C A 18 17.666 1.526 -9.861 1.00 0.00 H new ATOM 0 H4' C A 18 16.091 3.205 -9.372 1.00 0.00 H new ATOM 0 H3' C A 18 18.082 2.630 -7.206 1.00 0.00 H new ATOM 0 H2' C A 18 17.097 3.926 -5.561 1.00 0.00 H new ATOM 0 HO2' C A 18 16.716 5.680 -7.344 1.00 0.00 H new ATOM 0 HO3' C A 18 18.742 4.695 -7.727 1.00 0.00 H new ATOM 0 H1' C A 18 14.365 3.632 -6.276 1.00 0.00 H new ATOM 0 H41 C A 18 15.361 -1.364 -2.060 1.00 0.00 H new ATOM 0 H42 C A 18 14.989 -0.024 -0.971 1.00 0.00 H new ATOM 0 H5 C A 18 15.647 -1.095 -4.418 1.00 0.00 H new ATOM 0 H6 C A 18 15.671 0.378 -6.304 1.00 0.00 H new TER 487 C A 18 ATOM 488 N ASN B 1 10.424 1.457 5.027 1.00 0.00 N ATOM 489 CA ASN B 1 9.396 1.290 3.963 1.00 0.00 C ATOM 490 C ASN B 1 8.254 2.281 4.097 1.00 0.00 C ATOM 491 O ASN B 1 7.834 2.617 5.210 1.00 0.00 O ATOM 492 CB ASN B 1 8.878 -0.188 3.950 1.00 0.00 C ATOM 493 CG ASN B 1 8.189 -0.562 2.619 1.00 0.00 C ATOM 494 OD1 ASN B 1 6.825 -0.649 2.638 1.00 0.00 O flip ATOM 495 ND2 ASN B 1 8.861 -0.793 1.607 1.00 0.00 N flip ATOM 0 H1 ASN B 1 10.749 0.522 5.346 1.00 0.00 H new ATOM 0 H2 ASN B 1 11.231 1.993 4.649 1.00 0.00 H new ATOM 0 H3 ASN B 1 10.011 1.973 5.830 1.00 0.00 H new ATOM 0 HA ASN B 1 9.869 1.505 3.005 1.00 0.00 H new ATOM 0 HB2 ASN B 1 9.715 -0.864 4.125 1.00 0.00 H new ATOM 0 HB3 ASN B 1 8.176 -0.331 4.771 1.00 0.00 H new ATOM 0 HD21 ASN B 1 9.877 -0.715 1.641 1.00 0.00 H new ATOM 0 HD22 ASN B 1 8.399 -1.062 0.738 1.00 0.00 H new ATOM 503 N ALA B 2 7.724 2.753 2.926 1.00 0.00 N ATOM 504 CA ALA B 2 6.610 3.673 2.823 1.00 0.00 C ATOM 505 C ALA B 2 5.354 2.832 2.823 1.00 0.00 C ATOM 506 O ALA B 2 4.893 2.338 1.785 1.00 0.00 O ATOM 507 CB ALA B 2 6.657 4.626 1.618 1.00 0.00 C ATOM 0 H ALA B 2 8.092 2.478 2.015 1.00 0.00 H new ATOM 0 HA ALA B 2 6.647 4.354 3.673 1.00 0.00 H new ATOM 0 HB1 ALA B 2 5.780 5.273 1.631 1.00 0.00 H new ATOM 0 HB2 ALA B 2 7.559 5.236 1.672 1.00 0.00 H new ATOM 0 HB3 ALA B 2 6.666 4.046 0.695 1.00 0.00 H new ATOM 513 N LYS B 3 4.811 2.652 4.055 1.00 0.00 N ATOM 514 CA LYS B 3 3.616 1.908 4.374 1.00 0.00 C ATOM 515 C LYS B 3 2.455 2.884 4.361 1.00 0.00 C ATOM 516 O LYS B 3 1.645 2.798 3.444 1.00 0.00 O ATOM 517 CB LYS B 3 3.700 1.072 5.698 1.00 0.00 C ATOM 518 CG LYS B 3 4.474 -0.272 5.600 1.00 0.00 C ATOM 519 CD LYS B 3 3.791 -1.341 4.710 1.00 0.00 C ATOM 520 CE LYS B 3 4.463 -2.725 4.678 1.00 0.00 C ATOM 521 NZ LYS B 3 3.651 -3.641 3.843 1.00 0.00 N ATOM 0 H LYS B 3 5.241 3.057 4.887 1.00 0.00 H new ATOM 0 HA LYS B 3 3.473 1.137 3.617 1.00 0.00 H new ATOM 0 HB2 LYS B 3 4.172 1.687 6.464 1.00 0.00 H new ATOM 0 HB3 LYS B 3 2.686 0.862 6.038 1.00 0.00 H new ATOM 0 HG2 LYS B 3 5.472 -0.075 5.209 1.00 0.00 H new ATOM 0 HG3 LYS B 3 4.600 -0.679 6.603 1.00 0.00 H new ATOM 0 HD2 LYS B 3 2.764 -1.466 5.052 1.00 0.00 H new ATOM 0 HD3 LYS B 3 3.743 -0.959 3.690 1.00 0.00 H new ATOM 0 HE2 LYS B 3 5.472 -2.643 4.274 1.00 0.00 H new ATOM 0 HE3 LYS B 3 4.556 -3.121 5.689 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 4.082 -4.587 3.845 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 2.687 -3.699 4.228 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 3.613 -3.280 2.868 1.00 0.00 H new ATOM 535 N THR B 4 2.363 3.841 5.341 1.00 0.00 N ATOM 536 CA THR B 4 1.299 4.845 5.470 1.00 0.00 C ATOM 537 C THR B 4 1.232 5.818 4.305 1.00 0.00 C ATOM 538 O THR B 4 0.130 6.074 3.824 1.00 0.00 O ATOM 539 CB THR B 4 1.223 5.619 6.804 1.00 0.00 C ATOM 540 OG1 THR B 4 2.490 6.126 7.217 1.00 0.00 O ATOM 541 CG2 THR B 4 0.588 4.728 7.905 1.00 0.00 C ATOM 0 H THR B 4 3.062 3.921 6.079 1.00 0.00 H new ATOM 0 HA THR B 4 0.417 4.205 5.457 1.00 0.00 H new ATOM 0 HB THR B 4 0.585 6.488 6.641 1.00 0.00 H new ATOM 0 HG1 THR B 4 2.389 6.609 8.064 1.00 0.00 H new ATOM 0 HG21 THR B 4 0.540 5.285 8.841 1.00 0.00 H new ATOM 0 HG22 THR B 4 -0.418 4.438 7.603 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.196 3.834 8.045 1.00 0.00 H new ATOM 549 N ARG B 5 2.384 6.359 3.817 1.00 0.00 N ATOM 550 CA ARG B 5 2.491 7.288 2.696 1.00 0.00 C ATOM 551 C ARG B 5 1.870 6.712 1.421 1.00 0.00 C ATOM 552 O ARG B 5 1.045 7.387 0.795 1.00 0.00 O ATOM 553 CB ARG B 5 3.959 7.789 2.512 1.00 0.00 C ATOM 554 CG ARG B 5 4.334 9.005 3.404 1.00 0.00 C ATOM 555 CD ARG B 5 4.314 8.760 4.930 1.00 0.00 C ATOM 556 NE ARG B 5 4.635 10.049 5.640 1.00 0.00 N ATOM 557 CZ ARG B 5 4.254 10.372 6.919 1.00 0.00 C ATOM 558 NH1 ARG B 5 3.564 9.520 7.736 1.00 0.00 N ATOM 559 NH2 ARG B 5 4.581 11.612 7.397 1.00 0.00 N ATOM 0 H ARG B 5 3.293 6.139 4.224 1.00 0.00 H new ATOM 0 HA ARG B 5 1.901 8.174 2.930 1.00 0.00 H new ATOM 0 HB2 ARG B 5 4.641 6.968 2.731 1.00 0.00 H new ATOM 0 HB3 ARG B 5 4.111 8.059 1.467 1.00 0.00 H new ATOM 0 HG2 ARG B 5 5.332 9.342 3.124 1.00 0.00 H new ATOM 0 HG3 ARG B 5 3.647 9.821 3.178 1.00 0.00 H new ATOM 0 HD2 ARG B 5 3.335 8.394 5.239 1.00 0.00 H new ATOM 0 HD3 ARG B 5 5.040 7.992 5.197 1.00 0.00 H new ATOM 0 HE ARG B 5 5.182 10.741 5.127 1.00 0.00 H new ATOM 0 HH11 ARG B 5 3.307 8.591 7.403 1.00 0.00 H new ATOM 0 HH12 ARG B 5 3.307 9.814 8.678 1.00 0.00 H new ATOM 0 HH21 ARG B 5 5.094 12.267 6.807 1.00 0.00 H new ATOM 0 HH22 ARG B 5 4.312 11.881 8.343 1.00 0.00 H new ATOM 573 N ARG B 6 2.199 5.433 1.060 1.00 0.00 N ATOM 574 CA ARG B 6 1.636 4.680 -0.052 1.00 0.00 C ATOM 575 C ARG B 6 0.149 4.410 0.240 1.00 0.00 C ATOM 576 O ARG B 6 -0.699 4.760 -0.585 1.00 0.00 O ATOM 577 CB ARG B 6 2.415 3.348 -0.300 1.00 0.00 C ATOM 578 CG ARG B 6 1.783 2.359 -1.311 1.00 0.00 C ATOM 579 CD ARG B 6 2.558 1.044 -1.445 1.00 0.00 C ATOM 580 NE ARG B 6 1.742 0.020 -2.189 1.00 0.00 N ATOM 581 CZ ARG B 6 1.601 -0.097 -3.549 1.00 0.00 C ATOM 582 NH1 ARG B 6 2.055 0.850 -4.416 1.00 0.00 N ATOM 583 NH2 ARG B 6 0.994 -1.218 -4.049 1.00 0.00 N ATOM 0 H ARG B 6 2.897 4.896 1.574 1.00 0.00 H new ATOM 0 HA ARG B 6 1.729 5.267 -0.966 1.00 0.00 H new ATOM 0 HB2 ARG B 6 3.417 3.598 -0.648 1.00 0.00 H new ATOM 0 HB3 ARG B 6 2.528 2.835 0.655 1.00 0.00 H new ATOM 0 HG2 ARG B 6 0.761 2.139 -1.002 1.00 0.00 H new ATOM 0 HG3 ARG B 6 1.725 2.838 -2.288 1.00 0.00 H new ATOM 0 HD2 ARG B 6 3.496 1.221 -1.971 1.00 0.00 H new ATOM 0 HD3 ARG B 6 2.814 0.664 -0.456 1.00 0.00 H new ATOM 0 HE ARG B 6 1.239 -0.661 -1.620 1.00 0.00 H new ATOM 0 HH11 ARG B 6 2.520 1.685 -4.061 1.00 0.00 H new ATOM 0 HH12 ARG B 6 1.930 0.724 -5.420 1.00 0.00 H new ATOM 0 HH21 ARG B 6 0.659 -1.942 -3.414 1.00 0.00 H new ATOM 0 HH22 ARG B 6 0.877 -1.328 -5.056 1.00 0.00 H new ATOM 597 N HIS B 7 -0.171 3.779 1.420 1.00 0.00 N ATOM 598 CA HIS B 7 -1.472 3.406 1.938 1.00 0.00 C ATOM 599 C HIS B 7 -2.497 4.509 1.784 1.00 0.00 C ATOM 600 O HIS B 7 -3.483 4.249 1.121 1.00 0.00 O ATOM 601 CB HIS B 7 -1.431 2.897 3.406 1.00 0.00 C ATOM 602 CG HIS B 7 -2.749 2.421 3.944 1.00 0.00 C ATOM 603 ND1 HIS B 7 -3.824 3.134 4.343 1.00 0.00 N flip ATOM 604 CD2 HIS B 7 -3.064 1.101 4.096 1.00 0.00 C flip ATOM 605 CE1 HIS B 7 -4.778 2.242 4.742 1.00 0.00 C flip ATOM 606 NE2 HIS B 7 -4.295 1.022 4.576 1.00 0.00 N flip ATOM 0 H HIS B 7 0.567 3.508 2.069 1.00 0.00 H new ATOM 0 HA HIS B 7 -1.787 2.566 1.319 1.00 0.00 H new ATOM 0 HB2 HIS B 7 -0.711 2.081 3.473 1.00 0.00 H new ATOM 0 HB3 HIS B 7 -1.063 3.700 4.044 1.00 0.00 H new ATOM 0 HD1 HIS B 7 -3.908 4.151 4.346 1.00 0.00 H new ATOM 0 HD2 HIS B 7 -2.420 0.266 3.865 1.00 0.00 H new ATOM 0 HE1 HIS B 7 -5.756 2.490 5.126 1.00 0.00 H new ATOM 615 N GLU B 8 -2.301 5.741 2.346 1.00 0.00 N ATOM 616 CA GLU B 8 -3.174 6.915 2.281 1.00 0.00 C ATOM 617 C GLU B 8 -3.846 7.096 0.910 1.00 0.00 C ATOM 618 O GLU B 8 -5.078 7.089 0.844 1.00 0.00 O ATOM 619 CB GLU B 8 -2.426 8.219 2.726 1.00 0.00 C ATOM 620 CG GLU B 8 -2.240 8.372 4.259 1.00 0.00 C ATOM 621 CD GLU B 8 -1.350 9.574 4.589 1.00 0.00 C ATOM 622 OE1 GLU B 8 -0.114 9.489 4.354 1.00 0.00 O ATOM 623 OE2 GLU B 8 -1.895 10.590 5.099 1.00 0.00 O ATOM 0 H GLU B 8 -1.462 5.934 2.892 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.978 6.728 2.993 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -1.445 8.238 2.252 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -2.977 9.082 2.353 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -3.212 8.494 4.736 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -1.796 7.464 4.667 1.00 0.00 H new ATOM 630 N ARG B 9 -3.056 7.216 -0.206 1.00 0.00 N ATOM 631 CA ARG B 9 -3.537 7.357 -1.577 1.00 0.00 C ATOM 632 C ARG B 9 -4.196 6.070 -2.095 1.00 0.00 C ATOM 633 O ARG B 9 -5.334 6.136 -2.565 1.00 0.00 O ATOM 634 CB ARG B 9 -2.435 7.914 -2.537 1.00 0.00 C ATOM 635 CG ARG B 9 -2.909 8.346 -3.953 1.00 0.00 C ATOM 636 CD ARG B 9 -2.722 7.308 -5.082 1.00 0.00 C ATOM 637 NE ARG B 9 -1.304 7.385 -5.605 1.00 0.00 N ATOM 638 CZ ARG B 9 -0.305 6.456 -5.440 1.00 0.00 C ATOM 639 NH1 ARG B 9 -0.472 5.288 -4.756 1.00 0.00 N ATOM 640 NH2 ARG B 9 0.915 6.731 -5.999 1.00 0.00 N ATOM 0 H ARG B 9 -2.038 7.214 -0.148 1.00 0.00 H new ATOM 0 HA ARG B 9 -4.325 8.110 -1.562 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -1.965 8.772 -2.057 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -1.664 7.152 -2.652 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -3.967 8.603 -3.896 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -2.374 9.254 -4.231 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -2.929 6.306 -4.708 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -3.430 7.500 -5.888 1.00 0.00 H new ATOM 0 HE ARG B 9 -1.063 8.220 -6.140 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -1.375 5.068 -4.335 1.00 0.00 H new ATOM 0 HH12 ARG B 9 0.306 4.635 -4.665 1.00 0.00 H new ATOM 0 HH21 ARG B 9 1.055 7.600 -6.515 1.00 0.00 H new ATOM 0 HH22 ARG B 9 1.683 6.067 -5.899 1.00 0.00 H new ATOM 654 N ARG B 10 -3.519 4.878 -2.009 1.00 0.00 N ATOM 655 CA ARG B 10 -4.009 3.562 -2.437 1.00 0.00 C ATOM 656 C ARG B 10 -5.355 3.197 -1.778 1.00 0.00 C ATOM 657 O ARG B 10 -6.253 2.748 -2.482 1.00 0.00 O ATOM 658 CB ARG B 10 -2.916 2.458 -2.223 1.00 0.00 C ATOM 659 CG ARG B 10 -3.223 1.021 -2.729 1.00 0.00 C ATOM 660 CD ARG B 10 -2.007 0.066 -2.655 1.00 0.00 C ATOM 661 NE ARG B 10 -2.397 -1.369 -2.949 1.00 0.00 N ATOM 662 CZ ARG B 10 -2.416 -1.995 -4.169 1.00 0.00 C ATOM 663 NH1 ARG B 10 -2.164 -1.366 -5.349 1.00 0.00 N ATOM 664 NH2 ARG B 10 -2.705 -3.331 -4.171 1.00 0.00 N ATOM 0 H ARG B 10 -2.578 4.828 -1.620 1.00 0.00 H new ATOM 0 HA ARG B 10 -4.207 3.617 -3.507 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -2.001 2.795 -2.710 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -2.706 2.398 -1.155 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -4.039 0.603 -2.139 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -3.570 1.074 -3.761 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -1.248 0.389 -3.367 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -1.559 0.125 -1.663 1.00 0.00 H new ATOM 0 HE ARG B 10 -2.678 -1.934 -2.147 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -1.945 -0.370 -5.359 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -2.194 -1.891 -6.223 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -2.893 -3.813 -3.292 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -2.732 -3.846 -5.051 1.00 0.00 H new ATOM 678 N ARG B 11 -5.527 3.426 -0.437 1.00 0.00 N ATOM 679 CA ARG B 11 -6.682 3.256 0.434 1.00 0.00 C ATOM 680 C ARG B 11 -7.888 3.921 -0.209 1.00 0.00 C ATOM 681 O ARG B 11 -8.854 3.211 -0.459 1.00 0.00 O ATOM 682 CB ARG B 11 -6.403 3.773 1.870 1.00 0.00 C ATOM 683 CG ARG B 11 -7.508 3.565 2.922 1.00 0.00 C ATOM 684 CD ARG B 11 -7.526 4.641 4.011 1.00 0.00 C ATOM 685 NE ARG B 11 -8.429 4.173 5.131 1.00 0.00 N ATOM 686 CZ ARG B 11 -9.672 4.668 5.442 1.00 0.00 C ATOM 687 NH1 ARG B 11 -10.225 5.744 4.811 1.00 0.00 N ATOM 688 NH2 ARG B 11 -10.386 4.048 6.432 1.00 0.00 N ATOM 0 H ARG B 11 -4.739 3.781 0.105 1.00 0.00 H new ATOM 0 HA ARG B 11 -6.897 2.193 0.548 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.496 3.289 2.233 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.192 4.841 1.809 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.476 3.550 2.422 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -7.375 2.589 3.389 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.518 4.818 4.386 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -7.885 5.586 3.604 1.00 0.00 H new ATOM 0 HE ARG B 11 -8.079 3.413 5.714 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -9.711 6.220 4.070 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -11.153 6.072 5.080 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -9.992 3.241 6.916 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -11.312 4.393 6.685 1.00 0.00 H new ATOM 702 N LYS B 12 -7.848 5.261 -0.523 1.00 0.00 N ATOM 703 CA LYS B 12 -8.893 6.047 -1.191 1.00 0.00 C ATOM 704 C LYS B 12 -9.508 5.280 -2.371 1.00 0.00 C ATOM 705 O LYS B 12 -10.722 5.059 -2.389 1.00 0.00 O ATOM 706 CB LYS B 12 -8.408 7.464 -1.646 1.00 0.00 C ATOM 707 CG LYS B 12 -8.091 8.456 -0.500 1.00 0.00 C ATOM 708 CD LYS B 12 -7.477 9.799 -0.969 1.00 0.00 C ATOM 709 CE LYS B 12 -7.114 10.799 0.150 1.00 0.00 C ATOM 710 NZ LYS B 12 -8.314 11.354 0.829 1.00 0.00 N ATOM 0 H LYS B 12 -7.033 5.831 -0.295 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.666 6.208 -0.439 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -7.514 7.344 -2.258 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -9.174 7.904 -2.284 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -9.009 8.662 0.050 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -7.402 7.979 0.197 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -6.576 9.584 -1.544 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -8.181 10.281 -1.647 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -6.482 10.302 0.886 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -6.529 11.616 -0.273 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -8.016 12.019 1.571 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -8.906 11.852 0.135 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -8.860 10.579 1.257 1.00 0.00 H new ATOM 724 N LEU B 13 -8.661 4.817 -3.342 1.00 0.00 N ATOM 725 CA LEU B 13 -9.031 4.026 -4.510 1.00 0.00 C ATOM 726 C LEU B 13 -9.554 2.649 -4.160 1.00 0.00 C ATOM 727 O LEU B 13 -10.609 2.277 -4.662 1.00 0.00 O ATOM 728 CB LEU B 13 -7.966 3.951 -5.616 1.00 0.00 C ATOM 729 CG LEU B 13 -7.643 5.322 -6.292 1.00 0.00 C ATOM 730 CD1 LEU B 13 -8.860 6.274 -6.532 1.00 0.00 C ATOM 731 CD2 LEU B 13 -6.425 6.026 -5.640 1.00 0.00 C ATOM 0 H LEU B 13 -7.659 5.007 -3.309 1.00 0.00 H new ATOM 0 HA LEU B 13 -9.855 4.596 -4.939 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -7.048 3.543 -5.193 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -8.303 3.252 -6.382 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.353 5.053 -7.308 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -8.515 7.193 -7.006 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -9.585 5.782 -7.180 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -9.330 6.512 -5.578 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -6.240 6.974 -6.144 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -6.632 6.210 -4.586 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -5.545 5.389 -5.731 1.00 0.00 H new ATOM 743 N ALA B 14 -8.848 1.885 -3.280 1.00 0.00 N ATOM 744 CA ALA B 14 -9.186 0.567 -2.766 1.00 0.00 C ATOM 745 C ALA B 14 -10.579 0.522 -2.198 1.00 0.00 C ATOM 746 O ALA B 14 -11.339 -0.388 -2.545 1.00 0.00 O ATOM 747 CB ALA B 14 -8.233 0.096 -1.662 1.00 0.00 C ATOM 0 H ALA B 14 -7.964 2.218 -2.895 1.00 0.00 H new ATOM 0 HA ALA B 14 -9.103 -0.093 -3.630 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -8.535 -0.893 -1.318 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -7.217 0.049 -2.054 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -8.268 0.797 -0.828 1.00 0.00 H new ATOM 753 N ILE B 15 -10.944 1.534 -1.340 1.00 0.00 N ATOM 754 CA ILE B 15 -12.258 1.661 -0.764 1.00 0.00 C ATOM 755 C ILE B 15 -13.246 1.804 -1.921 1.00 0.00 C ATOM 756 O ILE B 15 -14.134 0.963 -2.056 1.00 0.00 O ATOM 757 CB ILE B 15 -12.571 2.718 0.325 1.00 0.00 C ATOM 758 CG1 ILE B 15 -11.491 2.952 1.428 1.00 0.00 C ATOM 759 CG2 ILE B 15 -13.898 2.244 0.971 1.00 0.00 C ATOM 760 CD1 ILE B 15 -11.040 4.403 1.476 1.00 0.00 C ATOM 0 H ILE B 15 -10.302 2.272 -1.050 1.00 0.00 H new ATOM 0 HA ILE B 15 -12.342 0.754 -0.165 1.00 0.00 H new ATOM 0 HB ILE B 15 -12.615 3.691 -0.163 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -11.894 2.664 2.399 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -10.631 2.310 1.237 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -14.190 2.942 1.756 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -14.679 2.205 0.211 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -13.760 1.252 1.401 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -10.288 4.525 2.256 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -10.612 4.683 0.513 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -11.895 5.043 1.693 1.00 0.00 H new ATOM 772 N GLU B 16 -13.089 2.870 -2.766 1.00 0.00 N ATOM 773 CA GLU B 16 -13.927 3.196 -3.901 1.00 0.00 C ATOM 774 C GLU B 16 -14.118 2.033 -4.919 1.00 0.00 C ATOM 775 O GLU B 16 -15.170 1.957 -5.556 1.00 0.00 O ATOM 776 CB GLU B 16 -13.382 4.491 -4.617 1.00 0.00 C ATOM 777 CG GLU B 16 -14.345 5.168 -5.623 1.00 0.00 C ATOM 778 CD GLU B 16 -13.719 6.440 -6.207 1.00 0.00 C ATOM 779 OE1 GLU B 16 -12.739 6.324 -6.992 1.00 0.00 O ATOM 780 OE2 GLU B 16 -14.225 7.548 -5.882 1.00 0.00 O ATOM 0 H GLU B 16 -12.330 3.540 -2.643 1.00 0.00 H new ATOM 0 HA GLU B 16 -14.923 3.383 -3.499 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -13.117 5.220 -3.852 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -12.463 4.232 -5.143 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -14.584 4.473 -6.428 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -15.283 5.415 -5.125 1.00 0.00 H new ATOM 787 N ARG B 17 -13.133 1.084 -5.074 1.00 0.00 N ATOM 788 CA ARG B 17 -13.194 -0.116 -5.916 1.00 0.00 C ATOM 789 C ARG B 17 -14.374 -0.982 -5.444 1.00 0.00 C ATOM 790 O ARG B 17 -15.228 -1.353 -6.253 1.00 0.00 O ATOM 791 CB ARG B 17 -11.870 -0.962 -5.968 1.00 0.00 C ATOM 792 CG ARG B 17 -10.750 -0.412 -6.891 1.00 0.00 C ATOM 793 CD ARG B 17 -9.476 -1.289 -7.007 1.00 0.00 C ATOM 794 NE ARG B 17 -8.407 -0.841 -6.030 1.00 0.00 N ATOM 795 CZ ARG B 17 -7.649 -1.643 -5.211 1.00 0.00 C ATOM 796 NH1 ARG B 17 -7.870 -2.980 -5.048 1.00 0.00 N ATOM 797 NH2 ARG B 17 -6.634 -1.073 -4.489 1.00 0.00 N ATOM 0 H ARG B 17 -12.243 1.160 -4.582 1.00 0.00 H new ATOM 0 HA ARG B 17 -13.335 0.227 -6.941 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -11.473 -1.043 -4.956 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -12.119 -1.972 -6.294 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -11.164 -0.273 -7.890 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -10.458 0.573 -6.528 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -9.731 -2.332 -6.817 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -9.087 -1.236 -8.024 1.00 0.00 H new ATOM 0 HE ARG B 17 -8.232 0.162 -5.975 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -8.633 -3.436 -5.549 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -7.272 -3.523 -4.425 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -6.453 -0.072 -4.566 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -6.059 -1.650 -3.875 1.00 0.00 H new ATOM 811 N ASP B 18 -14.440 -1.259 -4.108 1.00 0.00 N ATOM 812 CA ASP B 18 -15.467 -1.987 -3.382 1.00 0.00 C ATOM 813 C ASP B 18 -16.817 -1.250 -3.403 1.00 0.00 C ATOM 814 O ASP B 18 -17.831 -1.876 -3.724 1.00 0.00 O ATOM 815 CB ASP B 18 -15.010 -2.314 -1.918 1.00 0.00 C ATOM 816 CG ASP B 18 -15.971 -3.268 -1.193 1.00 0.00 C ATOM 817 OD1 ASP B 18 -16.072 -4.452 -1.613 1.00 0.00 O ATOM 818 OD2 ASP B 18 -16.609 -2.820 -0.202 1.00 0.00 O ATOM 0 H ASP B 18 -13.702 -0.941 -3.479 1.00 0.00 H new ATOM 0 HA ASP B 18 -15.615 -2.935 -3.899 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -14.015 -2.758 -1.944 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -14.930 -1.386 -1.351 1.00 0.00 H new ATOM 823 N THR B 19 -16.834 0.079 -3.061 1.00 0.00 N ATOM 824 CA THR B 19 -17.975 1.005 -2.989 1.00 0.00 C ATOM 825 C THR B 19 -18.960 0.813 -4.173 1.00 0.00 C ATOM 826 O THR B 19 -18.536 0.934 -5.355 1.00 0.00 O ATOM 827 CB THR B 19 -17.642 2.513 -2.833 1.00 0.00 C ATOM 828 OG1 THR B 19 -17.069 3.096 -3.988 1.00 0.00 O ATOM 829 CG2 THR B 19 -16.869 2.861 -1.541 1.00 0.00 C ATOM 830 OXT THR B 19 -20.155 0.527 -3.890 1.00 0.00 O ATOM 0 H THR B 19 -15.966 0.553 -2.810 1.00 0.00 H new ATOM 0 HA THR B 19 -18.445 0.716 -2.049 1.00 0.00 H new ATOM 0 HB THR B 19 -18.618 2.985 -2.719 1.00 0.00 H new ATOM 0 HG1 THR B 19 -16.531 2.427 -4.460 1.00 0.00 H new ATOM 0 HG21 THR B 19 -16.676 3.933 -1.510 1.00 0.00 H new ATOM 0 HG22 THR B 19 -17.463 2.574 -0.673 1.00 0.00 H new ATOM 0 HG23 THR B 19 -15.922 2.322 -1.527 1.00 0.00 H new TER 838 THR B 19