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= 0.393 USER MOD Set 1.2: B 7 HIS :FLIP no HE2:sc= -0.568 F(o=-3.1,f=-0.18) USER MOD Single : A 4 G O2' : rot -112:sc= 0.0143 USER MOD Single : A 4 G O5' : rot 180:sc= 0 USER MOD Single : A 5 C O2' : rot -19:sc= 0.0138 USER MOD Single : A 6 G O2' : rot -15:sc= 0.0784 USER MOD Single : A 7 C O2' : rot -119:sc= 0.747 USER MOD Single : A 8 U O2' : rot -13:sc= 0.0717 USER MOD Single : A 9 G O2' : rot -173:sc= 0.669 USER MOD Single : A 10 A O2' : rot 176:sc= 0.0744 USER MOD Single : A 12 A O2' : rot -17:sc= 0.0186 USER MOD Single : A 13 A O2' : rot -23:sc= 0.0401 USER MOD Single : A 14 A O2' : rot 180:sc= 0 USER MOD Single : A 15 G O2' : rot -16:sc= 0.0793 USER MOD Single : A 16 C O2' : rot -61:sc= 0.0749 USER MOD Single : A 17 G O2' : rot -18:sc= 0.0578 USER MOD Single : A 18 C O2' : rot -15:sc= 0.0695 USER MOD Single : A 18 C O3' : rot 180:sc= 0.0673 USER MOD Single : B 1 ASN : amide:sc= -0.0578 X(o=-0.058,f=-0.063) USER MOD Single : B 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.477) 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 -73:sc= -0.268 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 4 10.103 6.897 7.602 1.00 0.00 O ATOM 2 C5' G A 4 11.086 6.050 7.018 1.00 0.00 C ATOM 3 C4' G A 4 11.663 6.657 5.729 1.00 0.00 C ATOM 4 O4' G A 4 12.739 5.817 5.228 1.00 0.00 O ATOM 5 C3' G A 4 10.683 6.706 4.556 1.00 0.00 C ATOM 6 O3' G A 4 9.845 7.865 4.574 1.00 0.00 O ATOM 7 C2' G A 4 11.585 6.659 3.331 1.00 0.00 C ATOM 8 O2' G A 4 11.878 7.908 2.702 1.00 0.00 O ATOM 9 C1' G A 4 12.852 5.970 3.805 1.00 0.00 C ATOM 10 N9 G A 4 13.102 4.679 3.126 1.00 0.00 N ATOM 11 C8 G A 4 13.031 3.444 3.654 1.00 0.00 C ATOM 12 N7 G A 4 13.310 2.470 2.822 1.00 0.00 N ATOM 13 C5 G A 4 13.588 3.108 1.640 1.00 0.00 C ATOM 14 C6 G A 4 13.947 2.548 0.406 1.00 0.00 C ATOM 15 O6 G A 4 14.084 1.341 0.187 1.00 0.00 O ATOM 16 N1 G A 4 14.146 3.556 -0.585 1.00 0.00 N ATOM 17 C2 G A 4 14.015 4.944 -0.395 1.00 0.00 C ATOM 18 N2 G A 4 14.264 5.656 -1.530 1.00 0.00 N ATOM 19 N3 G A 4 13.666 5.441 0.821 1.00 0.00 N ATOM 20 C4 G A 4 13.470 4.491 1.781 1.00 0.00 C ATOM 0 H5' G A 4 10.645 5.078 6.797 1.00 0.00 H new ATOM 0 H5'' G A 4 11.891 5.880 7.733 1.00 0.00 H new ATOM 0 H4' G A 4 11.959 7.664 6.021 1.00 0.00 H new ATOM 0 H3' G A 4 9.969 5.882 4.584 1.00 0.00 H new ATOM 0 H2' G A 4 11.060 6.129 2.536 1.00 0.00 H new ATOM 0 HO2' G A 4 11.450 7.939 1.821 1.00 0.00 H new ATOM 0 HO5' G A 4 9.756 6.481 8.418 1.00 0.00 H new ATOM 0 H1' G A 4 13.718 6.581 3.549 1.00 0.00 H new ATOM 0 H8 G A 4 12.764 3.268 4.686 1.00 0.00 H new ATOM 0 H1 G A 4 14.408 3.240 -1.519 1.00 0.00 H new ATOM 0 H21 G A 4 14.200 6.674 -1.518 1.00 0.00 H new ATOM 0 H22 G A 4 14.514 5.171 -2.392 1.00 0.00 H new ATOM 33 P C A 5 8.400 7.899 3.914 1.00 0.00 P ATOM 34 OP1 C A 5 7.800 9.216 4.235 1.00 0.00 O ATOM 35 OP2 C A 5 7.639 6.712 4.362 1.00 0.00 O ATOM 36 O5' C A 5 8.658 7.770 2.337 1.00 0.00 O ATOM 37 C5' C A 5 8.936 8.898 1.511 1.00 0.00 C ATOM 38 C4' C A 5 9.157 8.573 -0.001 1.00 0.00 C ATOM 39 O4' C A 5 10.425 7.877 -0.278 1.00 0.00 O ATOM 40 C3' C A 5 8.086 7.734 -0.711 1.00 0.00 C ATOM 41 O3' C A 5 6.923 8.498 -1.051 1.00 0.00 O ATOM 42 C2' C A 5 8.851 7.165 -1.921 1.00 0.00 C ATOM 43 O2' C A 5 8.959 8.077 -3.016 1.00 0.00 O ATOM 44 C1' C A 5 10.236 6.879 -1.323 1.00 0.00 C ATOM 45 N1 C A 5 10.412 5.486 -0.789 1.00 0.00 N ATOM 46 C2 C A 5 10.750 4.402 -1.681 1.00 0.00 C ATOM 47 O2 C A 5 10.891 4.563 -2.909 1.00 0.00 O ATOM 48 N3 C A 5 10.920 3.148 -1.133 1.00 0.00 N ATOM 49 C4 C A 5 10.780 2.921 0.199 1.00 0.00 C ATOM 50 N4 C A 5 10.934 1.675 0.729 1.00 0.00 N ATOM 51 C5 C A 5 10.447 4.012 1.081 1.00 0.00 C ATOM 52 C6 C A 5 10.275 5.225 0.550 1.00 0.00 C ATOM 0 H5' C A 5 9.826 9.398 1.893 1.00 0.00 H new ATOM 0 H5'' C A 5 8.111 9.605 1.598 1.00 0.00 H new ATOM 0 H4' C A 5 9.130 9.588 -0.398 1.00 0.00 H new ATOM 0 H3' C A 5 7.662 6.946 -0.090 1.00 0.00 H new ATOM 0 H2' C A 5 8.345 6.301 -2.351 1.00 0.00 H new ATOM 0 HO2' C A 5 8.280 8.778 -2.926 1.00 0.00 H new ATOM 0 H1' C A 5 10.989 6.944 -2.108 1.00 0.00 H new ATOM 0 H41 C A 5 10.824 1.531 1.733 1.00 0.00 H new ATOM 0 H42 C A 5 11.160 0.887 0.122 1.00 0.00 H new ATOM 0 H5 C A 5 10.339 3.852 2.144 1.00 0.00 H new ATOM 0 H6 C A 5 10.015 6.041 1.208 1.00 0.00 H new ATOM 64 P G A 6 5.534 7.812 -1.431 1.00 0.00 P ATOM 65 OP1 G A 6 4.503 8.870 -1.516 1.00 0.00 O ATOM 66 OP2 G A 6 5.257 6.687 -0.505 1.00 0.00 O ATOM 67 O5' G A 6 5.827 7.280 -2.900 1.00 0.00 O ATOM 68 C5' G A 6 5.346 6.024 -3.354 1.00 0.00 C ATOM 69 C4' G A 6 6.112 5.584 -4.621 1.00 0.00 C ATOM 70 O4' G A 6 7.466 5.142 -4.283 1.00 0.00 O ATOM 71 C3' G A 6 5.473 4.389 -5.329 1.00 0.00 C ATOM 72 O3' G A 6 4.596 4.834 -6.369 1.00 0.00 O ATOM 73 C2' G A 6 6.653 3.562 -5.857 1.00 0.00 C ATOM 74 O2' G A 6 7.119 3.982 -7.141 1.00 0.00 O ATOM 75 C1' G A 6 7.722 3.826 -4.791 1.00 0.00 C ATOM 76 N9 G A 6 7.911 2.840 -3.682 1.00 0.00 N ATOM 77 C8 G A 6 7.768 3.028 -2.344 1.00 0.00 C ATOM 78 N7 G A 6 8.048 1.990 -1.599 1.00 0.00 N ATOM 79 C5 G A 6 8.407 1.022 -2.494 1.00 0.00 C ATOM 80 C6 G A 6 8.807 -0.295 -2.234 1.00 0.00 C ATOM 81 O6 G A 6 8.909 -0.803 -1.110 1.00 0.00 O ATOM 82 N1 G A 6 9.095 -0.995 -3.440 1.00 0.00 N ATOM 83 C2 G A 6 9.006 -0.471 -4.745 1.00 0.00 C ATOM 84 N2 G A 6 9.326 -1.375 -5.711 1.00 0.00 N ATOM 85 N3 G A 6 8.617 0.815 -4.947 1.00 0.00 N ATOM 86 C4 G A 6 8.335 1.502 -3.807 1.00 0.00 C ATOM 0 H5' G A 6 4.280 6.092 -3.570 1.00 0.00 H new ATOM 0 H5'' G A 6 5.465 5.276 -2.570 1.00 0.00 H new ATOM 0 H4' G A 6 6.100 6.462 -5.267 1.00 0.00 H new ATOM 0 H3' G A 6 4.849 3.787 -4.668 1.00 0.00 H new ATOM 0 H2' G A 6 6.388 2.515 -6.004 1.00 0.00 H new ATOM 0 HO2' G A 6 6.448 4.561 -7.559 1.00 0.00 H new ATOM 0 H1' G A 6 8.679 3.716 -5.302 1.00 0.00 H new ATOM 0 H8 G A 6 7.445 3.969 -1.925 1.00 0.00 H new ATOM 0 H1 G A 6 9.394 -1.966 -3.351 1.00 0.00 H new ATOM 0 H21 G A 6 9.296 -1.103 -6.694 1.00 0.00 H new ATOM 0 H22 G A 6 9.596 -2.324 -5.452 1.00 0.00 H new ATOM 98 P C A 7 3.192 4.152 -6.635 1.00 0.00 P ATOM 99 OP1 C A 7 2.588 4.761 -7.843 1.00 0.00 O ATOM 100 OP2 C A 7 2.386 4.191 -5.393 1.00 0.00 O ATOM 101 O5' C A 7 3.594 2.656 -6.923 1.00 0.00 O ATOM 102 C5' C A 7 4.089 2.151 -8.157 1.00 0.00 C ATOM 103 C4' C A 7 4.350 0.622 -8.091 1.00 0.00 C ATOM 104 O4' C A 7 5.563 0.307 -7.320 1.00 0.00 O ATOM 105 C3' C A 7 3.244 -0.149 -7.368 1.00 0.00 C ATOM 106 O3' C A 7 2.123 -0.416 -8.212 1.00 0.00 O ATOM 107 C2' C A 7 3.946 -1.376 -6.817 1.00 0.00 C ATOM 108 O2' C A 7 3.879 -2.518 -7.662 1.00 0.00 O ATOM 109 C1' C A 7 5.403 -0.953 -6.623 1.00 0.00 C ATOM 110 N1 C A 7 5.619 -0.866 -5.154 1.00 0.00 N ATOM 111 C2 C A 7 5.975 -2.054 -4.410 1.00 0.00 C ATOM 112 O2 C A 7 6.202 -3.145 -4.965 1.00 0.00 O ATOM 113 N3 C A 7 6.060 -1.957 -3.038 1.00 0.00 N ATOM 114 C4 C A 7 5.820 -0.786 -2.391 1.00 0.00 C ATOM 115 N4 C A 7 5.882 -0.724 -1.026 1.00 0.00 N ATOM 116 C5 C A 7 5.475 0.385 -3.172 1.00 0.00 C ATOM 117 C6 C A 7 5.394 0.300 -4.483 1.00 0.00 C ATOM 0 H5' C A 7 5.014 2.667 -8.416 1.00 0.00 H new ATOM 0 H5'' C A 7 3.372 2.364 -8.950 1.00 0.00 H new ATOM 0 H4' C A 7 4.423 0.329 -9.138 1.00 0.00 H new ATOM 0 H3' C A 7 2.782 0.418 -6.560 1.00 0.00 H new ATOM 0 H2' C A 7 3.455 -1.689 -5.896 1.00 0.00 H new ATOM 0 HO2' C A 7 3.421 -3.246 -7.193 1.00 0.00 H new ATOM 0 H1' C A 7 6.143 -1.645 -7.026 1.00 0.00 H new ATOM 0 H41 C A 7 5.701 0.158 -0.547 1.00 0.00 H new ATOM 0 H42 C A 7 6.109 -1.560 -0.487 1.00 0.00 H new ATOM 0 H5 C A 7 5.285 1.327 -2.679 1.00 0.00 H new ATOM 0 H6 C A 7 5.140 1.185 -5.048 1.00 0.00 H new ATOM 129 P U A 8 0.652 -0.757 -7.719 1.00 0.00 P ATOM 130 OP1 U A 8 -0.236 -0.772 -8.907 1.00 0.00 O ATOM 131 OP2 U A 8 0.264 0.180 -6.643 1.00 0.00 O ATOM 132 O5' U A 8 0.782 -2.238 -7.107 1.00 0.00 O ATOM 133 C5' U A 8 0.858 -3.343 -8.012 1.00 0.00 C ATOM 134 C4' U A 8 1.151 -4.718 -7.358 1.00 0.00 C ATOM 135 O4' U A 8 2.432 -4.817 -6.684 1.00 0.00 O ATOM 136 C3' U A 8 0.123 -5.259 -6.375 1.00 0.00 C ATOM 137 O3' U A 8 -0.971 -5.811 -7.105 1.00 0.00 O ATOM 138 C2' U A 8 0.926 -6.332 -5.616 1.00 0.00 C ATOM 139 O2' U A 8 0.957 -7.610 -6.252 1.00 0.00 O ATOM 140 C1' U A 8 2.345 -5.728 -5.571 1.00 0.00 C ATOM 141 N1 U A 8 2.718 -5.056 -4.280 1.00 0.00 N ATOM 142 C2 U A 8 2.922 -5.875 -3.112 1.00 0.00 C ATOM 143 O2 U A 8 2.817 -7.108 -3.077 1.00 0.00 O ATOM 144 N3 U A 8 3.269 -5.152 -1.947 1.00 0.00 N ATOM 145 C4 U A 8 3.425 -3.745 -1.834 1.00 0.00 C ATOM 146 O4 U A 8 3.725 -3.213 -0.761 1.00 0.00 O ATOM 147 C5 U A 8 3.199 -3.020 -3.070 1.00 0.00 C ATOM 148 C6 U A 8 2.867 -3.678 -4.199 1.00 0.00 C ATOM 0 H5' U A 8 1.636 -3.136 -8.747 1.00 0.00 H new ATOM 0 H5'' U A 8 -0.084 -3.411 -8.555 1.00 0.00 H new ATOM 0 H4' U A 8 1.127 -5.326 -8.262 1.00 0.00 H new ATOM 0 H3' U A 8 -0.313 -4.521 -5.701 1.00 0.00 H new ATOM 0 H2' U A 8 0.477 -6.538 -4.644 1.00 0.00 H new ATOM 0 HO2' U A 8 0.282 -7.639 -6.962 1.00 0.00 H new ATOM 0 H1' U A 8 3.067 -6.541 -5.639 1.00 0.00 H new ATOM 0 H3 U A 8 3.423 -5.698 -1.099 1.00 0.00 H new ATOM 0 H5 U A 8 3.297 -1.945 -3.086 1.00 0.00 H new ATOM 0 H6 U A 8 2.707 -3.097 -5.096 1.00 0.00 H new ATOM 159 P G A 9 -2.493 -5.649 -6.728 1.00 0.00 P ATOM 160 OP1 G A 9 -3.300 -6.445 -7.683 1.00 0.00 O ATOM 161 OP2 G A 9 -2.823 -4.210 -6.630 1.00 0.00 O ATOM 162 O5' G A 9 -2.560 -6.301 -5.285 1.00 0.00 O ATOM 163 C5' G A 9 -2.473 -7.715 -5.099 1.00 0.00 C ATOM 164 C4' G A 9 -2.412 -8.125 -3.605 1.00 0.00 C ATOM 165 O4' G A 9 -1.125 -7.791 -2.993 1.00 0.00 O ATOM 166 C3' G A 9 -3.458 -7.434 -2.727 1.00 0.00 C ATOM 167 O3' G A 9 -4.693 -8.136 -2.800 1.00 0.00 O ATOM 168 C2' G A 9 -2.821 -7.428 -1.335 1.00 0.00 C ATOM 169 O2' G A 9 -3.054 -8.633 -0.604 1.00 0.00 O ATOM 170 C1' G A 9 -1.309 -7.291 -1.653 1.00 0.00 C ATOM 171 N9 G A 9 -0.735 -5.906 -1.561 1.00 0.00 N ATOM 172 C8 G A 9 -0.510 -4.998 -2.560 1.00 0.00 C ATOM 173 N7 G A 9 -0.012 -3.854 -2.171 1.00 0.00 N ATOM 174 C5 G A 9 0.116 -3.983 -0.821 1.00 0.00 C ATOM 175 C6 G A 9 0.603 -3.040 0.088 1.00 0.00 C ATOM 176 O6 G A 9 0.997 -1.914 -0.211 1.00 0.00 O ATOM 177 N1 G A 9 0.587 -3.538 1.414 1.00 0.00 N ATOM 178 C2 G A 9 0.145 -4.811 1.806 1.00 0.00 C ATOM 179 N2 G A 9 0.259 -5.010 3.141 1.00 0.00 N ATOM 180 N3 G A 9 -0.326 -5.704 0.892 1.00 0.00 N ATOM 181 C4 G A 9 -0.317 -5.241 -0.388 1.00 0.00 C ATOM 0 H5' G A 9 -1.586 -8.090 -5.610 1.00 0.00 H new ATOM 0 H5'' G A 9 -3.335 -8.191 -5.566 1.00 0.00 H new ATOM 0 H4' G A 9 -2.590 -9.200 -3.637 1.00 0.00 H new ATOM 0 H3' G A 9 -3.708 -6.418 -3.034 1.00 0.00 H new ATOM 0 H2' G A 9 -3.233 -6.638 -0.708 1.00 0.00 H new ATOM 0 HO2' G A 9 -2.720 -8.530 0.311 1.00 0.00 H new ATOM 0 H1' G A 9 -0.773 -7.853 -0.888 1.00 0.00 H new ATOM 0 H8 G A 9 -0.728 -5.212 -3.596 1.00 0.00 H new ATOM 0 H1 G A 9 0.927 -2.917 2.148 1.00 0.00 H new ATOM 0 H21 G A 9 -0.030 -5.898 3.551 1.00 0.00 H new ATOM 0 H22 G A 9 0.634 -4.272 3.736 1.00 0.00 H new ATOM 193 P A A 10 -6.027 -7.635 -3.504 1.00 0.00 P ATOM 194 OP1 A A 10 -6.731 -8.815 -4.054 1.00 0.00 O ATOM 195 OP2 A A 10 -5.726 -6.539 -4.455 1.00 0.00 O ATOM 196 O5' A A 10 -6.882 -7.031 -2.312 1.00 0.00 O ATOM 197 C5' A A 10 -7.175 -7.796 -1.143 1.00 0.00 C ATOM 198 C4' A A 10 -7.312 -6.890 0.098 1.00 0.00 C ATOM 199 O4' A A 10 -7.375 -7.728 1.291 1.00 0.00 O ATOM 200 C3' A A 10 -6.139 -5.909 0.315 1.00 0.00 C ATOM 201 O3' A A 10 -6.604 -4.556 0.380 1.00 0.00 O ATOM 202 C2' A A 10 -5.414 -6.388 1.581 1.00 0.00 C ATOM 203 O2' A A 10 -5.033 -5.335 2.463 1.00 0.00 O ATOM 204 C1' A A 10 -6.392 -7.359 2.260 1.00 0.00 C ATOM 205 N9 A A 10 -5.770 -8.627 2.735 1.00 0.00 N ATOM 206 C8 A A 10 -5.099 -9.600 2.039 1.00 0.00 C ATOM 207 N7 A A 10 -4.696 -10.611 2.774 1.00 0.00 N ATOM 208 C5 A A 10 -5.118 -10.299 4.040 1.00 0.00 C ATOM 209 C6 A A 10 -4.973 -11.010 5.251 1.00 0.00 C ATOM 210 N6 A A 10 -4.327 -12.217 5.256 1.00 0.00 N ATOM 211 N1 A A 10 -5.527 -10.395 6.352 1.00 0.00 N ATOM 212 C2 A A 10 -6.142 -9.212 6.213 1.00 0.00 C ATOM 213 N3 A A 10 -6.327 -8.478 5.133 1.00 0.00 N ATOM 214 C4 A A 10 -5.784 -9.080 4.054 1.00 0.00 C ATOM 0 H5' A A 10 -6.384 -8.528 -0.977 1.00 0.00 H new ATOM 0 H5'' A A 10 -8.099 -8.354 -1.293 1.00 0.00 H new ATOM 0 H4' A A 10 -8.213 -6.301 -0.074 1.00 0.00 H new ATOM 0 H3' A A 10 -5.438 -5.906 -0.520 1.00 0.00 H new ATOM 0 H2' A A 10 -4.468 -6.859 1.315 1.00 0.00 H new ATOM 0 HO2' A A 10 -4.630 -5.715 3.271 1.00 0.00 H new ATOM 0 H1' A A 10 -6.790 -6.840 3.132 1.00 0.00 H new ATOM 0 H8 A A 10 -4.917 -9.540 0.976 1.00 0.00 H new ATOM 0 H61 A A 10 -4.220 -12.734 6.128 1.00 0.00 H new ATOM 0 H62 A A 10 -3.953 -12.599 4.387 1.00 0.00 H new ATOM 0 H2 A A 10 -6.548 -8.797 7.124 1.00 0.00 H new ATOM 226 P C A 11 -6.783 -3.671 -0.933 1.00 0.00 P ATOM 227 OP1 C A 11 -8.156 -3.869 -1.449 1.00 0.00 O ATOM 228 OP2 C A 11 -5.671 -3.914 -1.886 1.00 0.00 O ATOM 229 O5' C A 11 -6.691 -2.213 -0.334 1.00 0.00 O ATOM 230 C5' C A 11 -5.485 -1.462 -0.241 1.00 0.00 C ATOM 231 C4' C A 11 -5.346 -0.717 1.106 1.00 0.00 C ATOM 232 O4' C A 11 -6.528 0.088 1.389 1.00 0.00 O ATOM 233 C3' C A 11 -5.215 -1.666 2.299 1.00 0.00 C ATOM 234 O3' C A 11 -3.925 -1.520 2.882 1.00 0.00 O ATOM 235 C2' C A 11 -6.366 -1.313 3.248 1.00 0.00 C ATOM 236 O2' C A 11 -6.058 -1.397 4.636 1.00 0.00 O ATOM 237 C1' C A 11 -6.821 0.076 2.791 1.00 0.00 C ATOM 238 N1 C A 11 -8.297 0.239 3.040 1.00 0.00 N ATOM 239 C2 C A 11 -8.775 0.734 4.317 1.00 0.00 C ATOM 240 O2 C A 11 -7.998 1.068 5.234 1.00 0.00 O ATOM 241 N3 C A 11 -10.142 0.830 4.502 1.00 0.00 N ATOM 242 C4 C A 11 -11.024 0.476 3.526 1.00 0.00 C ATOM 243 N4 C A 11 -12.375 0.554 3.712 1.00 0.00 N ATOM 244 C5 C A 11 -10.530 -0.009 2.257 1.00 0.00 C ATOM 245 C6 C A 11 -9.220 -0.108 2.072 1.00 0.00 C ATOM 0 H5' C A 11 -5.449 -0.739 -1.056 1.00 0.00 H new ATOM 0 H5'' C A 11 -4.635 -2.131 -0.370 1.00 0.00 H new ATOM 0 H4' C A 11 -4.447 -0.111 0.993 1.00 0.00 H new ATOM 0 H3' C A 11 -5.292 -2.718 2.024 1.00 0.00 H new ATOM 0 H2' C A 11 -7.166 -2.050 3.180 1.00 0.00 H new ATOM 0 HO2' C A 11 -5.421 -0.691 4.873 1.00 0.00 H new ATOM 0 H1' C A 11 -6.328 0.890 3.322 1.00 0.00 H new ATOM 0 H41 C A 11 -13.010 0.282 2.961 1.00 0.00 H new ATOM 0 H42 C A 11 -12.749 0.885 4.601 1.00 0.00 H new ATOM 0 H5 C A 11 -11.217 -0.287 1.471 1.00 0.00 H new ATOM 0 H6 C A 11 -8.859 -0.476 1.123 1.00 0.00 H new ATOM 257 P A A 12 -2.673 -2.467 2.669 1.00 0.00 P ATOM 258 OP1 A A 12 -1.469 -1.725 3.109 1.00 0.00 O ATOM 259 OP2 A A 12 -2.665 -2.975 1.276 1.00 0.00 O ATOM 260 O5' A A 12 -2.917 -3.689 3.658 1.00 0.00 O ATOM 261 C5' A A 12 -3.166 -3.469 5.046 1.00 0.00 C ATOM 262 C4' A A 12 -3.020 -4.738 5.915 1.00 0.00 C ATOM 263 O4' A A 12 -3.609 -5.912 5.265 1.00 0.00 O ATOM 264 C3' A A 12 -1.583 -5.169 6.208 1.00 0.00 C ATOM 265 O3' A A 12 -0.952 -4.377 7.219 1.00 0.00 O ATOM 266 C2' A A 12 -1.765 -6.635 6.604 1.00 0.00 C ATOM 267 O2' A A 12 -2.170 -6.823 7.963 1.00 0.00 O ATOM 268 C1' A A 12 -2.873 -7.089 5.636 1.00 0.00 C ATOM 269 N9 A A 12 -2.425 -7.862 4.430 1.00 0.00 N ATOM 270 C8 A A 12 -2.415 -7.515 3.102 1.00 0.00 C ATOM 271 N7 A A 12 -2.001 -8.457 2.295 1.00 0.00 N ATOM 272 C5 A A 12 -1.707 -9.510 3.114 1.00 0.00 C ATOM 273 C6 A A 12 -1.225 -10.792 2.787 1.00 0.00 C ATOM 274 N6 A A 12 -1.019 -11.118 1.474 1.00 0.00 N ATOM 275 N1 A A 12 -1.026 -11.626 3.861 1.00 0.00 N ATOM 276 C2 A A 12 -1.292 -11.197 5.099 1.00 0.00 C ATOM 277 N3 A A 12 -1.754 -10.014 5.505 1.00 0.00 N ATOM 278 C4 A A 12 -1.948 -9.191 4.443 1.00 0.00 C ATOM 0 H5' A A 12 -4.174 -3.072 5.166 1.00 0.00 H new ATOM 0 H5'' A A 12 -2.478 -2.708 5.413 1.00 0.00 H new ATOM 0 H4' A A 12 -3.522 -4.442 6.836 1.00 0.00 H new ATOM 0 H3' A A 12 -0.908 -5.035 5.363 1.00 0.00 H new ATOM 0 H2' A A 12 -0.833 -7.196 6.538 1.00 0.00 H new ATOM 0 HO2' A A 12 -1.996 -6.004 8.472 1.00 0.00 H new ATOM 0 H1' A A 12 -3.489 -7.818 6.163 1.00 0.00 H new ATOM 0 H8 A A 12 -2.724 -6.541 2.751 1.00 0.00 H new ATOM 0 H61 A A 12 -0.670 -12.044 1.227 1.00 0.00 H new ATOM 0 H62 A A 12 -1.214 -10.435 0.742 1.00 0.00 H new ATOM 0 H2 A A 12 -1.105 -11.914 5.885 1.00 0.00 H new ATOM 290 P A A 13 0.597 -3.997 7.157 1.00 0.00 P ATOM 291 OP1 A A 13 0.888 -3.047 8.257 1.00 0.00 O ATOM 292 OP2 A A 13 0.941 -3.545 5.789 1.00 0.00 O ATOM 293 O5' A A 13 1.343 -5.378 7.430 1.00 0.00 O ATOM 294 C5' A A 13 1.312 -6.001 8.714 1.00 0.00 C ATOM 295 C4' A A 13 1.741 -7.491 8.675 1.00 0.00 C ATOM 296 O4' A A 13 0.893 -8.269 7.763 1.00 0.00 O ATOM 297 C3' A A 13 3.168 -7.744 8.182 1.00 0.00 C ATOM 298 O3' A A 13 4.126 -7.605 9.235 1.00 0.00 O ATOM 299 C2' A A 13 3.089 -9.162 7.604 1.00 0.00 C ATOM 300 O2' A A 13 3.246 -10.195 8.579 1.00 0.00 O ATOM 301 C1' A A 13 1.681 -9.196 6.996 1.00 0.00 C ATOM 302 N9 A A 13 1.568 -8.927 5.521 1.00 0.00 N ATOM 303 C8 A A 13 1.146 -7.799 4.879 1.00 0.00 C ATOM 304 N7 A A 13 1.137 -7.875 3.576 1.00 0.00 N ATOM 305 C5 A A 13 1.582 -9.131 3.301 1.00 0.00 C ATOM 306 C6 A A 13 1.773 -9.756 2.056 1.00 0.00 C ATOM 307 N6 A A 13 1.481 -9.073 0.903 1.00 0.00 N ATOM 308 N1 A A 13 2.241 -11.045 2.127 1.00 0.00 N ATOM 309 C2 A A 13 2.478 -11.608 3.315 1.00 0.00 C ATOM 310 N3 A A 13 2.327 -11.100 4.542 1.00 0.00 N ATOM 311 C4 A A 13 1.866 -9.826 4.472 1.00 0.00 C ATOM 0 H5' A A 13 0.304 -5.929 9.122 1.00 0.00 H new ATOM 0 H5'' A A 13 1.970 -5.457 9.392 1.00 0.00 H new ATOM 0 H4' A A 13 1.652 -7.793 9.719 1.00 0.00 H new ATOM 0 H3' A A 13 3.510 -7.023 7.440 1.00 0.00 H new ATOM 0 H2' A A 13 3.896 -9.354 6.897 1.00 0.00 H new ATOM 0 HO2' A A 13 3.723 -9.840 9.358 1.00 0.00 H new ATOM 0 H1' A A 13 1.323 -10.224 7.058 1.00 0.00 H new ATOM 0 H8 A A 13 0.842 -6.909 5.410 1.00 0.00 H new ATOM 0 H61 A A 13 1.617 -9.521 -0.003 1.00 0.00 H new ATOM 0 H62 A A 13 1.128 -8.117 0.952 1.00 0.00 H new ATOM 0 H2 A A 13 2.846 -12.623 3.279 1.00 0.00 H new ATOM 323 P A A 14 5.619 -7.133 8.963 1.00 0.00 P ATOM 324 OP1 A A 14 6.306 -7.003 10.266 1.00 0.00 O ATOM 325 OP2 A A 14 5.597 -5.927 8.098 1.00 0.00 O ATOM 326 O5' A A 14 6.229 -8.399 8.206 1.00 0.00 O ATOM 327 C5' A A 14 7.063 -8.247 7.065 1.00 0.00 C ATOM 328 C4' A A 14 7.114 -9.533 6.206 1.00 0.00 C ATOM 329 O4' A A 14 5.772 -9.937 5.752 1.00 0.00 O ATOM 330 C3' A A 14 7.893 -9.308 4.911 1.00 0.00 C ATOM 331 O3' A A 14 9.277 -9.621 5.065 1.00 0.00 O ATOM 332 C2' A A 14 7.151 -10.176 3.884 1.00 0.00 C ATOM 333 O2' A A 14 7.541 -11.548 3.859 1.00 0.00 O ATOM 334 C1' A A 14 5.696 -10.015 4.318 1.00 0.00 C ATOM 335 N9 A A 14 5.042 -8.781 3.739 1.00 0.00 N ATOM 336 C8 A A 14 4.596 -7.686 4.407 1.00 0.00 C ATOM 337 N7 A A 14 4.102 -6.726 3.673 1.00 0.00 N ATOM 338 C5 A A 14 4.215 -7.201 2.398 1.00 0.00 C ATOM 339 C6 A A 14 3.844 -6.594 1.188 1.00 0.00 C ATOM 340 N6 A A 14 3.289 -5.346 1.213 1.00 0.00 N ATOM 341 N1 A A 14 4.090 -7.339 0.065 1.00 0.00 N ATOM 342 C2 A A 14 4.645 -8.551 0.176 1.00 0.00 C ATOM 343 N3 A A 14 5.033 -9.213 1.271 1.00 0.00 N ATOM 344 C4 A A 14 4.788 -8.471 2.382 1.00 0.00 C ATOM 0 H5' A A 14 8.071 -7.986 7.386 1.00 0.00 H new ATOM 0 H5'' A A 14 6.697 -7.420 6.457 1.00 0.00 H new ATOM 0 H4' A A 14 7.577 -10.284 6.846 1.00 0.00 H new ATOM 0 H3' A A 14 7.919 -8.267 4.590 1.00 0.00 H new ATOM 0 H2' A A 14 7.365 -9.858 2.864 1.00 0.00 H new ATOM 0 HO2' A A 14 7.019 -12.024 3.180 1.00 0.00 H new ATOM 0 H1' A A 14 5.078 -10.840 3.962 1.00 0.00 H new ATOM 0 H8 A A 14 4.647 -7.614 5.483 1.00 0.00 H new ATOM 0 H61 A A 14 3.014 -4.892 0.342 1.00 0.00 H new ATOM 0 H62 A A 14 3.149 -4.868 2.103 1.00 0.00 H new ATOM 0 H2 A A 14 4.803 -9.072 -0.757 1.00 0.00 H new ATOM 356 P G A 15 10.424 -8.751 4.377 1.00 0.00 P ATOM 357 OP1 G A 15 11.737 -9.257 4.839 1.00 0.00 O ATOM 358 OP2 G A 15 10.156 -7.310 4.600 1.00 0.00 O ATOM 359 O5' G A 15 10.249 -9.056 2.823 1.00 0.00 O ATOM 360 C5' G A 15 10.424 -10.388 2.343 1.00 0.00 C ATOM 361 C4' G A 15 9.802 -10.613 0.949 1.00 0.00 C ATOM 362 O4' G A 15 8.404 -10.205 0.855 1.00 0.00 O ATOM 363 C3' G A 15 10.520 -9.907 -0.194 1.00 0.00 C ATOM 364 O3' G A 15 11.601 -10.712 -0.671 1.00 0.00 O ATOM 365 C2' G A 15 9.412 -9.693 -1.227 1.00 0.00 C ATOM 366 O2' G A 15 9.229 -10.796 -2.116 1.00 0.00 O ATOM 367 C1' G A 15 8.175 -9.471 -0.353 1.00 0.00 C ATOM 368 N9 G A 15 7.810 -8.054 -0.032 1.00 0.00 N ATOM 369 C8 G A 15 7.781 -7.436 1.181 1.00 0.00 C ATOM 370 N7 G A 15 7.413 -6.174 1.149 1.00 0.00 N ATOM 371 C5 G A 15 7.172 -5.919 -0.178 1.00 0.00 C ATOM 372 C6 G A 15 6.748 -4.719 -0.785 1.00 0.00 C ATOM 373 O6 G A 15 6.522 -3.648 -0.203 1.00 0.00 O ATOM 374 N1 G A 15 6.615 -4.880 -2.198 1.00 0.00 N ATOM 375 C2 G A 15 6.865 -6.058 -2.928 1.00 0.00 C ATOM 376 N2 G A 15 6.659 -5.918 -4.265 1.00 0.00 N ATOM 377 N3 G A 15 7.271 -7.186 -2.297 1.00 0.00 N ATOM 378 C4 G A 15 7.406 -7.064 -0.949 1.00 0.00 C ATOM 0 H5' G A 15 9.977 -11.085 3.051 1.00 0.00 H new ATOM 0 H5'' G A 15 11.489 -10.616 2.301 1.00 0.00 H new ATOM 0 H4' G A 15 9.903 -11.693 0.841 1.00 0.00 H new ATOM 0 H3' G A 15 10.988 -8.962 0.081 1.00 0.00 H new ATOM 0 H2' G A 15 9.640 -8.866 -1.899 1.00 0.00 H new ATOM 0 HO2' G A 15 10.013 -11.382 -2.076 1.00 0.00 H new ATOM 0 H1' G A 15 7.316 -9.813 -0.930 1.00 0.00 H new ATOM 0 H8 G A 15 8.040 -7.943 2.099 1.00 0.00 H new ATOM 0 H1 G A 15 6.310 -4.064 -2.729 1.00 0.00 H new ATOM 0 H21 G A 15 6.810 -6.710 -4.890 1.00 0.00 H new ATOM 0 H22 G A 15 6.353 -5.021 -4.643 1.00 0.00 H new ATOM 390 P C A 16 13.013 -10.114 -1.067 1.00 0.00 P ATOM 391 OP1 C A 16 13.917 -11.234 -1.421 1.00 0.00 O ATOM 392 OP2 C A 16 13.479 -9.197 0.000 1.00 0.00 O ATOM 393 O5' C A 16 12.684 -9.258 -2.355 1.00 0.00 O ATOM 394 C5' C A 16 12.369 -9.845 -3.614 1.00 0.00 C ATOM 395 C4' C A 16 11.921 -8.786 -4.651 1.00 0.00 C ATOM 396 O4' C A 16 10.637 -8.171 -4.282 1.00 0.00 O ATOM 397 C3' C A 16 12.882 -7.601 -4.784 1.00 0.00 C ATOM 398 O3' C A 16 14.010 -7.919 -5.606 1.00 0.00 O ATOM 399 C2' C A 16 11.980 -6.479 -5.297 1.00 0.00 C ATOM 400 O2' C A 16 11.797 -6.467 -6.712 1.00 0.00 O ATOM 401 C1' C A 16 10.656 -6.753 -4.554 1.00 0.00 C ATOM 402 N1 C A 16 10.434 -5.923 -3.304 1.00 0.00 N ATOM 403 C2 C A 16 10.038 -4.541 -3.470 1.00 0.00 C ATOM 404 O2 C A 16 9.870 -4.023 -4.590 1.00 0.00 O ATOM 405 N3 C A 16 9.843 -3.776 -2.340 1.00 0.00 N ATOM 406 C4 C A 16 10.009 -4.279 -1.092 1.00 0.00 C ATOM 407 N4 C A 16 9.811 -3.505 0.016 1.00 0.00 N ATOM 408 C5 C A 16 10.402 -5.657 -0.917 1.00 0.00 C ATOM 409 C6 C A 16 10.597 -6.415 -2.008 1.00 0.00 C ATOM 0 H5' C A 16 11.577 -10.582 -3.483 1.00 0.00 H new ATOM 0 H5'' C A 16 13.240 -10.378 -3.994 1.00 0.00 H new ATOM 0 H4' C A 16 11.872 -9.353 -5.581 1.00 0.00 H new ATOM 0 H3' C A 16 13.368 -7.305 -3.854 1.00 0.00 H new ATOM 0 H2' C A 16 12.411 -5.496 -5.107 1.00 0.00 H new ATOM 0 HO2' C A 16 12.662 -6.335 -7.153 1.00 0.00 H new ATOM 0 H1' C A 16 9.823 -6.446 -5.187 1.00 0.00 H new ATOM 0 H41 C A 16 9.941 -3.903 0.946 1.00 0.00 H new ATOM 0 H42 C A 16 9.533 -2.529 -0.087 1.00 0.00 H new ATOM 0 H5 C A 16 10.536 -6.070 0.072 1.00 0.00 H new ATOM 0 H6 C A 16 10.892 -7.446 -1.878 1.00 0.00 H new ATOM 421 P G A 17 15.305 -6.998 -5.683 1.00 0.00 P ATOM 422 OP1 G A 17 16.415 -7.798 -6.248 1.00 0.00 O ATOM 423 OP2 G A 17 15.544 -6.347 -4.370 1.00 0.00 O ATOM 424 O5' G A 17 14.844 -5.936 -6.771 1.00 0.00 O ATOM 425 C5' G A 17 15.389 -4.628 -6.807 1.00 0.00 C ATOM 426 C4' G A 17 14.587 -3.730 -7.774 1.00 0.00 C ATOM 427 O4' G A 17 13.192 -3.583 -7.325 1.00 0.00 O ATOM 428 C3' G A 17 15.140 -2.299 -7.829 1.00 0.00 C ATOM 429 O3' G A 17 16.075 -2.146 -8.900 1.00 0.00 O ATOM 430 C2' G A 17 13.897 -1.419 -7.991 1.00 0.00 C ATOM 431 O2' G A 17 13.449 -1.311 -9.346 1.00 0.00 O ATOM 432 C1' G A 17 12.864 -2.193 -7.151 1.00 0.00 C ATOM 433 N9 G A 17 12.696 -1.876 -5.687 1.00 0.00 N ATOM 434 C8 G A 17 12.803 -2.719 -4.612 1.00 0.00 C ATOM 435 N7 G A 17 12.580 -2.169 -3.449 1.00 0.00 N ATOM 436 C5 G A 17 12.300 -0.867 -3.736 1.00 0.00 C ATOM 437 C6 G A 17 11.987 0.158 -2.840 1.00 0.00 C ATOM 438 O6 G A 17 11.911 0.033 -1.614 1.00 0.00 O ATOM 439 N1 G A 17 11.756 1.384 -3.517 1.00 0.00 N ATOM 440 C2 G A 17 11.823 1.591 -4.909 1.00 0.00 C ATOM 441 N2 G A 17 11.552 2.876 -5.268 1.00 0.00 N ATOM 442 N3 G A 17 12.133 0.560 -5.746 1.00 0.00 N ATOM 443 C4 G A 17 12.358 -0.627 -5.114 1.00 0.00 C ATOM 0 H5' G A 17 16.431 -4.671 -7.123 1.00 0.00 H new ATOM 0 H5'' G A 17 15.377 -4.196 -5.806 1.00 0.00 H new ATOM 0 H4' G A 17 14.660 -4.219 -8.745 1.00 0.00 H new ATOM 0 H3' G A 17 15.704 -2.026 -6.937 1.00 0.00 H new ATOM 0 H2' G A 17 14.074 -0.387 -7.687 1.00 0.00 H new ATOM 0 HO2' G A 17 14.172 -1.576 -9.952 1.00 0.00 H new ATOM 0 H1' G A 17 11.890 -1.880 -7.528 1.00 0.00 H new ATOM 0 H8 G A 17 13.054 -3.764 -4.719 1.00 0.00 H new ATOM 0 H1 G A 17 11.519 2.192 -2.941 1.00 0.00 H new ATOM 0 H21 G A 17 11.571 3.145 -6.252 1.00 0.00 H new ATOM 0 H22 G A 17 11.330 3.569 -4.553 1.00 0.00 H new ATOM 455 P C A 18 17.482 -1.434 -8.719 1.00 0.00 P ATOM 456 OP1 C A 18 18.208 -1.493 -10.009 1.00 0.00 O ATOM 457 OP2 C A 18 18.175 -2.010 -7.542 1.00 0.00 O ATOM 458 O5' C A 18 17.097 0.068 -8.385 1.00 0.00 O ATOM 459 C5' C A 18 16.553 0.957 -9.357 1.00 0.00 C ATOM 460 C4' C A 18 16.083 2.293 -8.727 1.00 0.00 C ATOM 461 O4' C A 18 14.971 2.080 -7.802 1.00 0.00 O ATOM 462 C3' C A 18 17.154 3.018 -7.916 1.00 0.00 C ATOM 463 O3' C A 18 17.919 3.918 -8.717 1.00 0.00 O ATOM 464 C2' C A 18 16.418 3.676 -6.751 1.00 0.00 C ATOM 465 O2' C A 18 16.079 5.048 -6.954 1.00 0.00 O ATOM 466 C1' C A 18 15.147 2.828 -6.581 1.00 0.00 C ATOM 467 N1 C A 18 15.164 1.973 -5.353 1.00 0.00 N ATOM 468 C2 C A 18 14.977 2.575 -4.046 1.00 0.00 C ATOM 469 O2 C A 18 14.795 3.799 -3.890 1.00 0.00 O ATOM 470 N3 C A 18 15.001 1.747 -2.942 1.00 0.00 N ATOM 471 C4 C A 18 15.193 0.406 -3.066 1.00 0.00 C ATOM 472 N4 C A 18 15.215 -0.427 -1.985 1.00 0.00 N ATOM 473 C5 C A 18 15.375 -0.169 -4.373 1.00 0.00 C ATOM 474 C6 C A 18 15.354 0.623 -5.440 1.00 0.00 C ATOM 0 H5' C A 18 15.712 0.477 -9.856 1.00 0.00 H new ATOM 0 H5'' C A 18 17.303 1.161 -10.121 1.00 0.00 H new ATOM 0 H4' C A 18 15.805 2.899 -9.589 1.00 0.00 H new ATOM 0 H3' C A 18 17.910 2.333 -7.531 1.00 0.00 H new ATOM 0 H2' C A 18 17.062 3.700 -5.872 1.00 0.00 H new ATOM 0 HO2' C A 18 16.587 5.402 -7.714 1.00 0.00 H new ATOM 0 HO3' C A 18 18.591 4.362 -8.159 1.00 0.00 H new ATOM 0 H1' C A 18 14.286 3.475 -6.417 1.00 0.00 H new ATOM 0 H41 C A 18 15.361 -1.428 -2.115 1.00 0.00 H new ATOM 0 H42 C A 18 15.085 -0.048 -1.047 1.00 0.00 H new ATOM 0 H5 C A 18 15.527 -1.232 -4.485 1.00 0.00 H new ATOM 0 H6 C A 18 15.493 0.181 -6.416 1.00 0.00 H new TER 487 C A 18 ATOM 488 N ASN B 1 10.534 2.316 5.606 1.00 0.00 N ATOM 489 CA ASN B 1 9.737 1.945 4.398 1.00 0.00 C ATOM 490 C ASN B 1 8.460 2.768 4.309 1.00 0.00 C ATOM 491 O ASN B 1 7.846 3.092 5.334 1.00 0.00 O ATOM 492 CB ASN B 1 9.439 0.407 4.408 1.00 0.00 C ATOM 493 CG ASN B 1 9.317 -0.201 2.993 1.00 0.00 C ATOM 494 OD1 ASN B 1 10.277 -0.810 2.501 1.00 0.00 O ATOM 495 ND2 ASN B 1 8.125 -0.050 2.340 1.00 0.00 N ATOM 0 H1 ASN B 1 11.399 1.740 5.642 1.00 0.00 H new ATOM 0 H2 ASN B 1 10.790 3.323 5.557 1.00 0.00 H new ATOM 0 H3 ASN B 1 9.968 2.144 6.461 1.00 0.00 H new ATOM 0 HA ASN B 1 10.321 2.172 3.506 1.00 0.00 H new ATOM 0 HB2 ASN B 1 10.234 -0.106 4.949 1.00 0.00 H new ATOM 0 HB3 ASN B 1 8.513 0.227 4.954 1.00 0.00 H new ATOM 0 HD21 ASN B 1 8.000 -0.447 1.409 1.00 0.00 H new ATOM 0 HD22 ASN B 1 7.361 0.460 2.784 1.00 0.00 H new ATOM 503 N ALA B 2 8.038 3.117 3.055 1.00 0.00 N ATOM 504 CA ALA B 2 6.846 3.888 2.757 1.00 0.00 C ATOM 505 C ALA B 2 5.653 2.957 2.690 1.00 0.00 C ATOM 506 O ALA B 2 5.284 2.431 1.631 1.00 0.00 O ATOM 507 CB ALA B 2 6.960 4.770 1.505 1.00 0.00 C ATOM 0 H ALA B 2 8.552 2.848 2.216 1.00 0.00 H new ATOM 0 HA ALA B 2 6.711 4.600 3.571 1.00 0.00 H new ATOM 0 HB1 ALA B 2 6.026 5.312 1.355 1.00 0.00 H new ATOM 0 HB2 ALA B 2 7.775 5.482 1.634 1.00 0.00 H new ATOM 0 HB3 ALA B 2 7.160 4.144 0.636 1.00 0.00 H new ATOM 513 N LYS B 3 5.048 2.745 3.891 1.00 0.00 N ATOM 514 CA LYS B 3 3.880 1.931 4.147 1.00 0.00 C ATOM 515 C LYS B 3 2.676 2.863 4.167 1.00 0.00 C ATOM 516 O LYS B 3 1.820 2.729 3.298 1.00 0.00 O ATOM 517 CB LYS B 3 3.956 1.020 5.421 1.00 0.00 C ATOM 518 CG LYS B 3 5.152 0.027 5.501 1.00 0.00 C ATOM 519 CD LYS B 3 5.323 -1.011 4.360 1.00 0.00 C ATOM 520 CE LYS B 3 4.345 -2.204 4.348 1.00 0.00 C ATOM 521 NZ LYS B 3 4.714 -3.163 3.277 1.00 0.00 N ATOM 0 H LYS B 3 5.404 3.176 4.744 1.00 0.00 H new ATOM 0 HA LYS B 3 3.799 1.197 3.345 1.00 0.00 H new ATOM 0 HB2 LYS B 3 3.990 1.665 6.299 1.00 0.00 H new ATOM 0 HB3 LYS B 3 3.032 0.445 5.484 1.00 0.00 H new ATOM 0 HG2 LYS B 3 6.069 0.614 5.557 1.00 0.00 H new ATOM 0 HG3 LYS B 3 5.067 -0.521 6.439 1.00 0.00 H new ATOM 0 HD2 LYS B 3 5.231 -0.487 3.409 1.00 0.00 H new ATOM 0 HD3 LYS B 3 6.338 -1.405 4.410 1.00 0.00 H new ATOM 0 HE2 LYS B 3 4.361 -2.706 5.316 1.00 0.00 H new ATOM 0 HE3 LYS B 3 3.327 -1.847 4.191 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 4.347 -4.107 3.515 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 4.304 -2.850 2.374 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 5.750 -3.206 3.191 1.00 0.00 H new ATOM 535 N THR B 4 2.602 3.838 5.135 1.00 0.00 N ATOM 536 CA THR B 4 1.524 4.821 5.325 1.00 0.00 C ATOM 537 C THR B 4 1.417 5.842 4.203 1.00 0.00 C ATOM 538 O THR B 4 0.297 6.096 3.761 1.00 0.00 O ATOM 539 CB THR B 4 1.472 5.529 6.696 1.00 0.00 C ATOM 540 OG1 THR B 4 2.744 6.022 7.109 1.00 0.00 O ATOM 541 CG2 THR B 4 0.855 4.604 7.778 1.00 0.00 C ATOM 0 H THR B 4 3.341 3.948 5.829 1.00 0.00 H new ATOM 0 HA THR B 4 0.646 4.176 5.296 1.00 0.00 H new ATOM 0 HB THR B 4 0.825 6.397 6.575 1.00 0.00 H new ATOM 0 HG1 THR B 4 2.657 6.462 7.980 1.00 0.00 H new ATOM 0 HG21 THR B 4 0.831 5.128 8.734 1.00 0.00 H new ATOM 0 HG22 THR B 4 -0.160 4.331 7.488 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.460 3.702 7.874 1.00 0.00 H new ATOM 549 N ARG B 5 2.551 6.422 3.698 1.00 0.00 N ATOM 550 CA ARG B 5 2.592 7.375 2.588 1.00 0.00 C ATOM 551 C ARG B 5 1.914 6.786 1.349 1.00 0.00 C ATOM 552 O ARG B 5 1.019 7.429 0.795 1.00 0.00 O ATOM 553 CB ARG B 5 4.040 7.843 2.239 1.00 0.00 C ATOM 554 CG ARG B 5 4.755 8.792 3.231 1.00 0.00 C ATOM 555 CD ARG B 5 4.077 10.141 3.565 1.00 0.00 C ATOM 556 NE ARG B 5 3.042 9.967 4.660 1.00 0.00 N ATOM 557 CZ ARG B 5 3.295 9.934 6.010 1.00 0.00 C ATOM 558 NH1 ARG B 5 4.553 10.026 6.534 1.00 0.00 N ATOM 559 NH2 ARG B 5 2.233 9.797 6.859 1.00 0.00 N ATOM 0 H ARG B 5 3.476 6.220 4.077 1.00 0.00 H new ATOM 0 HA ARG B 5 2.045 8.258 2.918 1.00 0.00 H new ATOM 0 HB2 ARG B 5 4.659 6.954 2.122 1.00 0.00 H new ATOM 0 HB3 ARG B 5 4.006 8.338 1.268 1.00 0.00 H new ATOM 0 HG2 ARG B 5 4.899 8.250 4.166 1.00 0.00 H new ATOM 0 HG3 ARG B 5 5.746 9.007 2.832 1.00 0.00 H new ATOM 0 HD2 ARG B 5 4.830 10.863 3.881 1.00 0.00 H new ATOM 0 HD3 ARG B 5 3.603 10.546 2.671 1.00 0.00 H new ATOM 0 HE ARG B 5 2.070 9.865 4.368 1.00 0.00 H new ATOM 0 HH11 ARG B 5 5.357 10.124 5.915 1.00 0.00 H new ATOM 0 HH12 ARG B 5 4.688 9.996 7.545 1.00 0.00 H new ATOM 0 HH21 ARG B 5 1.287 9.723 6.485 1.00 0.00 H new ATOM 0 HH22 ARG B 5 2.386 9.769 7.867 1.00 0.00 H new ATOM 573 N ARG B 6 2.291 5.532 0.947 1.00 0.00 N ATOM 574 CA ARG B 6 1.714 4.754 -0.134 1.00 0.00 C ATOM 575 C ARG B 6 0.238 4.474 0.188 1.00 0.00 C ATOM 576 O ARG B 6 -0.628 4.809 -0.626 1.00 0.00 O ATOM 577 CB ARG B 6 2.504 3.423 -0.354 1.00 0.00 C ATOM 578 CG ARG B 6 1.839 2.395 -1.299 1.00 0.00 C ATOM 579 CD ARG B 6 2.597 1.071 -1.405 1.00 0.00 C ATOM 580 NE ARG B 6 1.757 0.057 -2.134 1.00 0.00 N ATOM 581 CZ ARG B 6 1.551 -0.014 -3.488 1.00 0.00 C ATOM 582 NH1 ARG B 6 1.955 0.971 -4.339 1.00 0.00 N ATOM 583 NH2 ARG B 6 0.930 -1.121 -4.001 1.00 0.00 N ATOM 0 H ARG B 6 3.050 5.033 1.412 1.00 0.00 H new ATOM 0 HA ARG B 6 1.780 5.322 -1.062 1.00 0.00 H new ATOM 0 HB2 ARG B 6 3.489 3.668 -0.750 1.00 0.00 H new ATOM 0 HB3 ARG B 6 2.659 2.950 0.616 1.00 0.00 H new ATOM 0 HG2 ARG B 6 0.826 2.196 -0.948 1.00 0.00 H new ATOM 0 HG3 ARG B 6 1.752 2.833 -2.293 1.00 0.00 H new ATOM 0 HD2 ARG B 6 3.539 1.222 -1.932 1.00 0.00 H new ATOM 0 HD3 ARG B 6 2.845 0.703 -0.409 1.00 0.00 H new ATOM 0 HE ARG B 6 1.294 -0.650 -1.563 1.00 0.00 H new ATOM 0 HH11 ARG B 6 2.429 1.797 -3.974 1.00 0.00 H new ATOM 0 HH12 ARG B 6 1.784 0.882 -5.341 1.00 0.00 H new ATOM 0 HH21 ARG B 6 0.631 -1.872 -3.379 1.00 0.00 H new ATOM 0 HH22 ARG B 6 0.767 -1.195 -5.005 1.00 0.00 H new ATOM 597 N HIS B 7 -0.052 3.841 1.377 1.00 0.00 N ATOM 598 CA HIS B 7 -1.339 3.456 1.917 1.00 0.00 C ATOM 599 C HIS B 7 -2.376 4.543 1.737 1.00 0.00 C ATOM 600 O HIS B 7 -3.358 4.256 1.081 1.00 0.00 O ATOM 601 CB HIS B 7 -1.285 2.978 3.394 1.00 0.00 C ATOM 602 CG HIS B 7 -2.593 2.489 3.938 1.00 0.00 C ATOM 603 ND1 HIS B 7 -3.666 3.203 4.342 1.00 0.00 N flip ATOM 604 CD2 HIS B 7 -2.910 1.169 4.086 1.00 0.00 C flip ATOM 605 CE1 HIS B 7 -4.618 2.313 4.745 1.00 0.00 C flip ATOM 606 NE2 HIS B 7 -4.139 1.091 4.572 1.00 0.00 N flip ATOM 0 H HIS B 7 0.701 3.579 2.013 1.00 0.00 H new ATOM 0 HA HIS B 7 -1.644 2.590 1.330 1.00 0.00 H new ATOM 0 HB2 HIS B 7 -0.550 2.178 3.477 1.00 0.00 H new ATOM 0 HB3 HIS B 7 -0.932 3.801 4.016 1.00 0.00 H new ATOM 0 HD1 HIS B 7 -3.749 4.220 4.345 1.00 0.00 H new ATOM 0 HD2 HIS B 7 -2.269 0.333 3.848 1.00 0.00 H new ATOM 0 HE1 HIS B 7 -5.593 2.562 5.137 1.00 0.00 H new ATOM 615 N GLU B 8 -2.191 5.793 2.259 1.00 0.00 N ATOM 616 CA GLU B 8 -3.076 6.956 2.146 1.00 0.00 C ATOM 617 C GLU B 8 -3.751 7.081 0.762 1.00 0.00 C ATOM 618 O GLU B 8 -4.982 7.077 0.692 1.00 0.00 O ATOM 619 CB GLU B 8 -2.315 8.280 2.515 1.00 0.00 C ATOM 620 CG GLU B 8 -2.127 8.529 4.031 1.00 0.00 C ATOM 621 CD GLU B 8 -1.317 9.808 4.259 1.00 0.00 C ATOM 622 OE1 GLU B 8 -0.059 9.738 4.218 1.00 0.00 O ATOM 623 OE2 GLU B 8 -1.949 10.874 4.495 1.00 0.00 O ATOM 0 H GLU B 8 -1.357 6.011 2.804 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.879 6.795 2.866 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -1.333 8.260 2.041 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -2.858 9.124 2.089 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -3.099 8.614 4.517 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -1.616 7.680 4.486 1.00 0.00 H new ATOM 630 N ARG B 9 -2.959 7.153 -0.355 1.00 0.00 N ATOM 631 CA ARG B 9 -3.409 7.252 -1.745 1.00 0.00 C ATOM 632 C ARG B 9 -4.118 5.970 -2.211 1.00 0.00 C ATOM 633 O ARG B 9 -5.273 6.042 -2.640 1.00 0.00 O ATOM 634 CB ARG B 9 -2.278 7.648 -2.758 1.00 0.00 C ATOM 635 CG ARG B 9 -1.654 9.062 -2.595 1.00 0.00 C ATOM 636 CD ARG B 9 -0.643 9.225 -1.442 1.00 0.00 C ATOM 637 NE ARG B 9 -0.237 10.675 -1.335 1.00 0.00 N ATOM 638 CZ ARG B 9 0.368 11.251 -0.244 1.00 0.00 C ATOM 639 NH1 ARG B 9 0.759 10.534 0.852 1.00 0.00 N ATOM 640 NH2 ARG B 9 0.587 12.601 -0.256 1.00 0.00 N ATOM 0 H ARG B 9 -1.942 7.141 -0.284 1.00 0.00 H new ATOM 0 HA ARG B 9 -4.126 8.073 -1.746 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -1.478 6.912 -2.678 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -2.683 7.570 -3.767 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -1.157 9.328 -3.528 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -2.462 9.779 -2.448 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -1.086 8.890 -0.504 1.00 0.00 H new ATOM 0 HD3 ARG B 9 0.234 8.602 -1.621 1.00 0.00 H new ATOM 0 HE ARG B 9 -0.427 11.276 -2.137 1.00 0.00 H new ATOM 0 HH11 ARG B 9 0.605 9.526 0.884 1.00 0.00 H new ATOM 0 HH12 ARG B 9 1.205 11.007 1.638 1.00 0.00 H new ATOM 0 HH21 ARG B 9 0.303 13.157 -1.063 1.00 0.00 H new ATOM 0 HH22 ARG B 9 1.034 13.052 0.542 1.00 0.00 H new ATOM 654 N ARG B 10 -3.450 4.774 -2.107 1.00 0.00 N ATOM 655 CA ARG B 10 -3.947 3.437 -2.458 1.00 0.00 C ATOM 656 C ARG B 10 -5.270 3.118 -1.736 1.00 0.00 C ATOM 657 O ARG B 10 -6.160 2.585 -2.382 1.00 0.00 O ATOM 658 CB ARG B 10 -2.853 2.349 -2.191 1.00 0.00 C ATOM 659 CG ARG B 10 -3.203 0.886 -2.575 1.00 0.00 C ATOM 660 CD ARG B 10 -2.010 -0.087 -2.479 1.00 0.00 C ATOM 661 NE ARG B 10 -2.460 -1.528 -2.600 1.00 0.00 N ATOM 662 CZ ARG B 10 -2.681 -2.239 -3.751 1.00 0.00 C ATOM 663 NH1 ARG B 10 -2.519 -1.721 -5.001 1.00 0.00 N ATOM 664 NH2 ARG B 10 -3.057 -3.549 -3.615 1.00 0.00 N ATOM 0 H ARG B 10 -2.494 4.738 -1.752 1.00 0.00 H new ATOM 0 HA ARG B 10 -4.164 3.427 -3.526 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -1.952 2.635 -2.734 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -2.606 2.370 -1.130 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -4.002 0.531 -1.924 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -3.591 0.871 -3.594 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -1.291 0.138 -3.266 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -1.497 0.057 -1.528 1.00 0.00 H new ATOM 0 HE ARG B 10 -2.617 -2.027 -1.724 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -2.217 -0.754 -5.117 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -2.699 -2.301 -5.821 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -3.162 -3.956 -2.685 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -3.233 -4.118 -4.443 1.00 0.00 H new ATOM 678 N ARG B 11 -5.434 3.454 -0.419 1.00 0.00 N ATOM 679 CA ARG B 11 -6.572 3.319 0.475 1.00 0.00 C ATOM 680 C ARG B 11 -7.779 4.011 -0.139 1.00 0.00 C ATOM 681 O ARG B 11 -8.742 3.307 -0.420 1.00 0.00 O ATOM 682 CB ARG B 11 -6.250 3.827 1.906 1.00 0.00 C ATOM 683 CG ARG B 11 -7.371 3.674 2.950 1.00 0.00 C ATOM 684 CD ARG B 11 -7.424 4.812 3.966 1.00 0.00 C ATOM 685 NE ARG B 11 -8.543 4.475 4.921 1.00 0.00 N ATOM 686 CZ ARG B 11 -9.305 5.370 5.626 1.00 0.00 C ATOM 687 NH1 ARG B 11 -9.039 6.708 5.666 1.00 0.00 N ATOM 688 NH2 ARG B 11 -10.387 4.887 6.312 1.00 0.00 N ATOM 0 H ARG B 11 -4.653 3.880 0.081 1.00 0.00 H new ATOM 0 HA ARG B 11 -6.810 2.262 0.592 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.370 3.296 2.268 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -5.982 4.882 1.843 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.330 3.614 2.435 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -7.235 2.731 3.480 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.476 4.905 4.495 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -7.608 5.766 3.472 1.00 0.00 H new ATOM 0 HE ARG B 11 -8.752 3.486 5.055 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -8.241 7.085 5.155 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -9.639 7.331 6.207 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -10.603 3.890 6.287 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -10.977 5.524 6.848 1.00 0.00 H new ATOM 702 N LYS B 12 -7.754 5.367 -0.383 1.00 0.00 N ATOM 703 CA LYS B 12 -8.819 6.172 -1.006 1.00 0.00 C ATOM 704 C LYS B 12 -9.420 5.459 -2.227 1.00 0.00 C ATOM 705 O LYS B 12 -10.631 5.234 -2.289 1.00 0.00 O ATOM 706 CB LYS B 12 -8.362 7.623 -1.374 1.00 0.00 C ATOM 707 CG LYS B 12 -8.076 8.547 -0.164 1.00 0.00 C ATOM 708 CD LYS B 12 -7.560 9.954 -0.542 1.00 0.00 C ATOM 709 CE LYS B 12 -7.262 10.861 0.667 1.00 0.00 C ATOM 710 NZ LYS B 12 -6.788 12.194 0.225 1.00 0.00 N ATOM 0 H LYS B 12 -6.945 5.935 -0.132 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.597 6.276 -0.249 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -7.461 7.560 -1.985 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -9.133 8.085 -1.990 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -8.990 8.654 0.420 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -7.341 8.065 0.480 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -6.652 9.849 -1.136 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -8.300 10.443 -1.175 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -8.161 10.973 1.273 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -6.507 10.394 1.300 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -6.594 12.787 1.057 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -5.917 12.085 -0.333 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -7.520 12.646 -0.359 1.00 0.00 H new ATOM 724 N LEU B 13 -8.539 5.038 -3.176 1.00 0.00 N ATOM 725 CA LEU B 13 -8.790 4.284 -4.383 1.00 0.00 C ATOM 726 C LEU B 13 -9.390 2.899 -4.080 1.00 0.00 C ATOM 727 O LEU B 13 -10.463 2.583 -4.587 1.00 0.00 O ATOM 728 CB LEU B 13 -7.469 4.207 -5.201 1.00 0.00 C ATOM 729 CG LEU B 13 -7.457 3.247 -6.419 1.00 0.00 C ATOM 730 CD1 LEU B 13 -8.540 3.583 -7.484 1.00 0.00 C ATOM 731 CD2 LEU B 13 -6.005 3.087 -6.942 1.00 0.00 C ATOM 0 H LEU B 13 -7.546 5.252 -3.082 1.00 0.00 H new ATOM 0 HA LEU B 13 -9.543 4.792 -4.985 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -7.230 5.210 -5.556 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -6.668 3.909 -4.525 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.772 2.254 -6.098 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -8.474 2.872 -8.307 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -9.529 3.521 -7.030 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -8.377 4.592 -7.863 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -5.999 2.412 -7.798 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -5.618 4.060 -7.244 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -5.377 2.676 -6.152 1.00 0.00 H new ATOM 743 N ALA B 14 -8.711 2.057 -3.249 1.00 0.00 N ATOM 744 CA ALA B 14 -9.061 0.721 -2.793 1.00 0.00 C ATOM 745 C ALA B 14 -10.452 0.652 -2.247 1.00 0.00 C ATOM 746 O ALA B 14 -11.200 -0.247 -2.641 1.00 0.00 O ATOM 747 CB ALA B 14 -8.144 0.181 -1.684 1.00 0.00 C ATOM 0 H ALA B 14 -7.817 2.348 -2.854 1.00 0.00 H new ATOM 0 HA ALA B 14 -8.953 0.115 -3.692 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -8.469 -0.819 -1.398 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -7.118 0.138 -2.049 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -8.194 0.840 -0.818 1.00 0.00 H new ATOM 753 N ILE B 15 -10.827 1.624 -1.345 1.00 0.00 N ATOM 754 CA ILE B 15 -12.142 1.716 -0.762 1.00 0.00 C ATOM 755 C ILE B 15 -13.151 1.768 -1.911 1.00 0.00 C ATOM 756 O ILE B 15 -14.011 0.889 -1.980 1.00 0.00 O ATOM 757 CB ILE B 15 -12.472 2.798 0.295 1.00 0.00 C ATOM 758 CG1 ILE B 15 -11.413 3.020 1.422 1.00 0.00 C ATOM 759 CG2 ILE B 15 -13.817 2.348 0.924 1.00 0.00 C ATOM 760 CD1 ILE B 15 -10.977 4.471 1.528 1.00 0.00 C ATOM 0 H ILE B 15 -10.191 2.354 -1.024 1.00 0.00 H new ATOM 0 HA ILE B 15 -12.195 0.827 -0.134 1.00 0.00 H new ATOM 0 HB ILE B 15 -12.499 3.763 -0.211 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -11.829 2.698 2.377 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -10.542 2.395 1.227 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -14.120 3.066 1.686 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -14.582 2.296 0.149 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -13.695 1.365 1.379 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -10.241 4.572 2.325 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -10.535 4.788 0.583 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -11.842 5.095 1.751 1.00 0.00 H new ATOM 772 N GLU B 16 -13.016 2.783 -2.822 1.00 0.00 N ATOM 773 CA GLU B 16 -13.852 3.026 -3.983 1.00 0.00 C ATOM 774 C GLU B 16 -14.017 1.780 -4.891 1.00 0.00 C ATOM 775 O GLU B 16 -15.126 1.530 -5.369 1.00 0.00 O ATOM 776 CB GLU B 16 -13.296 4.225 -4.834 1.00 0.00 C ATOM 777 CG GLU B 16 -14.283 4.833 -5.863 1.00 0.00 C ATOM 778 CD GLU B 16 -13.634 6.000 -6.615 1.00 0.00 C ATOM 779 OE1 GLU B 16 -13.420 7.076 -5.991 1.00 0.00 O ATOM 780 OE2 GLU B 16 -13.357 5.834 -7.834 1.00 0.00 O ATOM 0 H GLU B 16 -12.272 3.476 -2.736 1.00 0.00 H new ATOM 0 HA GLU B 16 -14.838 3.275 -3.591 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -12.979 5.014 -4.152 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -12.407 3.887 -5.367 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -14.595 4.066 -6.572 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -15.181 5.179 -5.352 1.00 0.00 H new ATOM 787 N ARG B 17 -12.925 0.980 -5.130 1.00 0.00 N ATOM 788 CA ARG B 17 -12.882 -0.255 -5.913 1.00 0.00 C ATOM 789 C ARG B 17 -13.857 -1.294 -5.346 1.00 0.00 C ATOM 790 O ARG B 17 -14.725 -1.777 -6.077 1.00 0.00 O ATOM 791 CB ARG B 17 -11.449 -0.873 -6.080 1.00 0.00 C ATOM 792 CG ARG B 17 -10.473 -0.077 -6.989 1.00 0.00 C ATOM 793 CD ARG B 17 -9.079 -0.713 -7.220 1.00 0.00 C ATOM 794 NE ARG B 17 -8.190 -0.517 -6.010 1.00 0.00 N ATOM 795 CZ ARG B 17 -6.955 -1.087 -5.813 1.00 0.00 C ATOM 796 NH1 ARG B 17 -6.412 -1.997 -6.676 1.00 0.00 N ATOM 797 NH2 ARG B 17 -6.236 -0.726 -4.706 1.00 0.00 N ATOM 0 H ARG B 17 -12.009 1.215 -4.748 1.00 0.00 H new ATOM 0 HA ARG B 17 -13.194 0.031 -6.918 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -10.998 -0.971 -5.092 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -11.553 -1.880 -6.484 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -10.949 0.067 -7.959 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -10.330 0.912 -6.554 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -9.190 -1.778 -7.426 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -8.611 -0.265 -8.097 1.00 0.00 H new ATOM 0 HE ARG B 17 -8.540 0.095 -5.273 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -6.928 -2.280 -7.509 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -5.491 -2.393 -6.487 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -6.619 -0.047 -4.048 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -5.317 -1.136 -4.539 1.00 0.00 H new ATOM 811 N ASP B 18 -13.732 -1.623 -4.025 1.00 0.00 N ATOM 812 CA ASP B 18 -14.553 -2.553 -3.246 1.00 0.00 C ATOM 813 C ASP B 18 -16.031 -2.139 -3.220 1.00 0.00 C ATOM 814 O ASP B 18 -16.899 -2.930 -3.595 1.00 0.00 O ATOM 815 CB ASP B 18 -14.038 -2.783 -1.783 1.00 0.00 C ATOM 816 CG ASP B 18 -12.635 -3.407 -1.730 1.00 0.00 C ATOM 817 OD1 ASP B 18 -12.463 -4.548 -2.238 1.00 0.00 O ATOM 818 OD2 ASP B 18 -11.720 -2.753 -1.159 1.00 0.00 O ATOM 0 H ASP B 18 -12.998 -1.206 -3.453 1.00 0.00 H new ATOM 0 HA ASP B 18 -14.460 -3.504 -3.771 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -14.026 -1.830 -1.254 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -14.738 -3.431 -1.255 1.00 0.00 H new ATOM 823 N THR B 19 -16.310 -0.875 -2.790 1.00 0.00 N ATOM 824 CA THR B 19 -17.590 -0.173 -2.673 1.00 0.00 C ATOM 825 C THR B 19 -18.359 -0.226 -4.017 1.00 0.00 C ATOM 826 O THR B 19 -19.467 -0.828 -4.022 1.00 0.00 O ATOM 827 CB THR B 19 -17.444 1.292 -2.206 1.00 0.00 C ATOM 828 OG1 THR B 19 -16.421 1.943 -2.887 1.00 0.00 O ATOM 829 CG2 THR B 19 -17.192 1.427 -0.692 1.00 0.00 C ATOM 830 OXT THR B 19 -17.860 0.314 -5.042 1.00 0.00 O ATOM 0 H THR B 19 -15.547 -0.270 -2.487 1.00 0.00 H new ATOM 0 HA THR B 19 -18.156 -0.694 -1.900 1.00 0.00 H new ATOM 0 HB THR B 19 -18.402 1.760 -2.433 1.00 0.00 H new ATOM 0 HG1 THR B 19 -15.555 1.617 -2.565 1.00 0.00 H new ATOM 0 HG21 THR B 19 -17.099 2.481 -0.431 1.00 0.00 H new ATOM 0 HG22 THR B 19 -18.027 0.990 -0.144 1.00 0.00 H new ATOM 0 HG23 THR B 19 -16.272 0.906 -0.428 1.00 0.00 H new TER 838 THR B 19