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 147:sc= -0.575 USER MOD Set 1.2: B 7 HIS : no HD1:sc= -2.78 K(o=-3.4,f=-0.18) USER MOD Single : A 4 G O2' : rot 180:sc= 0 USER MOD Single : A 4 G O5' : rot 180:sc= 0 USER MOD Single : A 5 C O2' : rot -27:sc= 0.0225 USER MOD Single : A 6 G O2' : rot -14:sc= 0.0587 USER MOD Single : A 7 C O2' : rot -121:sc= 0.986 USER MOD Single : A 8 U O2' : rot -11:sc= 0.131 USER MOD Single : A 9 G O2' : rot -169:sc= 0.166 USER MOD Single : A 10 A O2' : rot 92:sc= 0.481 USER MOD Single : A 12 A O2' : rot -28:sc= 0.0185 USER MOD Single : A 13 A O2' : rot -27:sc= 0.0207 USER MOD Single : A 14 A O2' : rot -65:sc= 0.0822 USER MOD Single : A 15 G O2' : rot -20:sc= 0.0783 USER MOD Single : A 16 C O2' : rot -24:sc= 0.0104 USER MOD Single : A 17 G O2' : rot -26:sc= 0.0485 USER MOD Single : A 18 C O2' : rot -14:sc= 0.0767 USER MOD Single : A 18 C O3' : rot 180:sc= 0.0954 USER MOD Single : B 1 ASN : amide:sc= -0.0214 X(o=-0.021,f=-0.21) USER MOD Single : B 1 ASN N :NH3+ 166:sc=-0.00595 (180deg=-0.205) USER MOD Single : B 3 LYS NZ :NH3+ 139:sc= 0.233 (180deg=-0.851) 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 -36:sc= -0.0846 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 4 9.426 6.157 7.742 1.00 0.00 O ATOM 2 C5' G A 4 10.487 5.318 7.307 1.00 0.00 C ATOM 3 C4' G A 4 11.221 5.962 6.120 1.00 0.00 C ATOM 4 O4' G A 4 12.323 5.116 5.688 1.00 0.00 O ATOM 5 C3' G A 4 10.371 6.112 4.855 1.00 0.00 C ATOM 6 O3' G A 4 9.558 7.295 4.865 1.00 0.00 O ATOM 7 C2' G A 4 11.410 6.111 3.742 1.00 0.00 C ATOM 8 O2' G A 4 11.782 7.391 3.238 1.00 0.00 O ATOM 9 C1' G A 4 12.599 5.358 4.299 1.00 0.00 C ATOM 10 N9 G A 4 12.896 4.107 3.561 1.00 0.00 N ATOM 11 C8 G A 4 12.749 2.845 3.998 1.00 0.00 C ATOM 12 N7 G A 4 13.096 1.916 3.140 1.00 0.00 N ATOM 13 C5 G A 4 13.502 2.617 2.032 1.00 0.00 C ATOM 14 C6 G A 4 13.974 2.123 0.807 1.00 0.00 C ATOM 15 O6 G A 4 14.114 0.929 0.526 1.00 0.00 O ATOM 16 N1 G A 4 14.289 3.184 -0.094 1.00 0.00 N ATOM 17 C2 G A 4 14.163 4.560 0.169 1.00 0.00 C ATOM 18 N2 G A 4 14.534 5.337 -0.888 1.00 0.00 N ATOM 19 N3 G A 4 13.702 4.991 1.374 1.00 0.00 N ATOM 20 C4 G A 4 13.393 3.992 2.249 1.00 0.00 C ATOM 0 H5' G A 4 10.094 4.344 7.016 1.00 0.00 H new ATOM 0 H5'' G A 4 11.185 5.148 8.127 1.00 0.00 H new ATOM 0 H4' G A 4 11.519 6.939 6.500 1.00 0.00 H new ATOM 0 H3' G A 4 9.635 5.316 4.743 1.00 0.00 H new ATOM 0 H2' G A 4 10.979 5.636 2.860 1.00 0.00 H new ATOM 0 HO2' G A 4 12.452 7.282 2.531 1.00 0.00 H new ATOM 0 HO5' G A 4 8.965 5.736 8.497 1.00 0.00 H new ATOM 0 H1' G A 4 13.502 5.956 4.182 1.00 0.00 H new ATOM 0 H8 G A 4 12.373 2.613 4.983 1.00 0.00 H new ATOM 0 H1 G A 4 14.638 2.920 -1.015 1.00 0.00 H new ATOM 0 H21 G A 4 14.486 6.353 -0.816 1.00 0.00 H new ATOM 0 H22 G A 4 14.860 4.902 -1.751 1.00 0.00 H new ATOM 33 P C A 5 8.239 7.474 3.994 1.00 0.00 P ATOM 34 OP1 C A 5 7.670 8.805 4.308 1.00 0.00 O ATOM 35 OP2 C A 5 7.353 6.313 4.228 1.00 0.00 O ATOM 36 O5' C A 5 8.737 7.436 2.474 1.00 0.00 O ATOM 37 C5' C A 5 9.146 8.587 1.742 1.00 0.00 C ATOM 38 C4' C A 5 9.471 8.316 0.238 1.00 0.00 C ATOM 39 O4' C A 5 10.708 7.554 0.027 1.00 0.00 O ATOM 40 C3' C A 5 8.404 7.566 -0.560 1.00 0.00 C ATOM 41 O3' C A 5 7.342 8.429 -0.968 1.00 0.00 O ATOM 42 C2' C A 5 9.192 6.929 -1.715 1.00 0.00 C ATOM 43 O2' C A 5 9.360 7.766 -2.856 1.00 0.00 O ATOM 44 C1' C A 5 10.543 6.604 -1.059 1.00 0.00 C ATOM 45 N1 C A 5 10.635 5.192 -0.558 1.00 0.00 N ATOM 46 C2 C A 5 11.034 4.138 -1.454 1.00 0.00 C ATOM 47 O2 C A 5 11.301 4.343 -2.652 1.00 0.00 O ATOM 48 N3 C A 5 11.115 2.861 -0.945 1.00 0.00 N ATOM 49 C4 C A 5 10.834 2.581 0.354 1.00 0.00 C ATOM 50 N4 C A 5 10.905 1.306 0.828 1.00 0.00 N ATOM 51 C5 C A 5 10.438 3.645 1.245 1.00 0.00 C ATOM 52 C6 C A 5 10.353 4.884 0.751 1.00 0.00 C ATOM 0 H5' C A 5 10.028 9.012 2.221 1.00 0.00 H new ATOM 0 H5'' C A 5 8.359 9.338 1.801 1.00 0.00 H new ATOM 0 H4' C A 5 9.549 9.341 -0.126 1.00 0.00 H new ATOM 0 H3' C A 5 7.881 6.804 0.018 1.00 0.00 H new ATOM 0 H2' C A 5 8.665 6.068 -2.127 1.00 0.00 H new ATOM 0 HO2' C A 5 8.624 8.411 -2.900 1.00 0.00 H new ATOM 0 H1' C A 5 11.339 6.689 -1.799 1.00 0.00 H new ATOM 0 H41 C A 5 10.691 1.113 1.806 1.00 0.00 H new ATOM 0 H42 C A 5 11.172 0.544 0.205 1.00 0.00 H new ATOM 0 H5 C A 5 10.216 3.445 2.283 1.00 0.00 H new ATOM 0 H6 C A 5 10.048 5.681 1.413 1.00 0.00 H new ATOM 64 P G A 6 5.908 7.863 -1.353 1.00 0.00 P ATOM 65 OP1 G A 6 4.957 8.994 -1.364 1.00 0.00 O ATOM 66 OP2 G A 6 5.572 6.710 -0.486 1.00 0.00 O ATOM 67 O5' G A 6 6.136 7.392 -2.852 1.00 0.00 O ATOM 68 C5' G A 6 5.583 6.179 -3.341 1.00 0.00 C ATOM 69 C4' G A 6 6.329 5.721 -4.608 1.00 0.00 C ATOM 70 O4' G A 6 7.676 5.250 -4.282 1.00 0.00 O ATOM 71 C3' G A 6 5.651 4.535 -5.295 1.00 0.00 C ATOM 72 O3' G A 6 4.742 4.985 -6.304 1.00 0.00 O ATOM 73 C2' G A 6 6.804 3.696 -5.860 1.00 0.00 C ATOM 74 O2' G A 6 7.263 4.135 -7.140 1.00 0.00 O ATOM 75 C1' G A 6 7.892 3.931 -4.803 1.00 0.00 C ATOM 76 N9 G A 6 8.072 2.930 -3.706 1.00 0.00 N ATOM 77 C8 G A 6 7.917 3.095 -2.364 1.00 0.00 C ATOM 78 N7 G A 6 8.196 2.041 -1.640 1.00 0.00 N ATOM 79 C5 G A 6 8.566 1.092 -2.552 1.00 0.00 C ATOM 80 C6 G A 6 8.968 -0.230 -2.317 1.00 0.00 C ATOM 81 O6 G A 6 9.067 -0.763 -1.207 1.00 0.00 O ATOM 82 N1 G A 6 9.267 -0.903 -3.535 1.00 0.00 N ATOM 83 C2 G A 6 9.186 -0.355 -4.830 1.00 0.00 C ATOM 84 N2 G A 6 9.520 -1.239 -5.810 1.00 0.00 N ATOM 85 N3 G A 6 8.793 0.934 -5.007 1.00 0.00 N ATOM 86 C4 G A 6 8.502 1.597 -3.854 1.00 0.00 C ATOM 0 H5' G A 6 4.525 6.318 -3.564 1.00 0.00 H new ATOM 0 H5'' G A 6 5.648 5.407 -2.574 1.00 0.00 H new ATOM 0 H4' G A 6 6.337 6.595 -5.259 1.00 0.00 H new ATOM 0 H3' G A 6 5.040 3.942 -4.614 1.00 0.00 H new ATOM 0 H2' G A 6 6.517 2.658 -6.026 1.00 0.00 H new ATOM 0 HO2' G A 6 6.608 4.752 -7.528 1.00 0.00 H new ATOM 0 H1' G A 6 8.840 3.806 -5.326 1.00 0.00 H new ATOM 0 H8 G A 6 7.588 4.027 -1.929 1.00 0.00 H new ATOM 0 H1 G A 6 9.569 -1.875 -3.463 1.00 0.00 H new ATOM 0 H21 G A 6 9.497 -0.949 -6.788 1.00 0.00 H new ATOM 0 H22 G A 6 9.794 -2.191 -5.566 1.00 0.00 H new ATOM 98 P C A 7 3.307 4.336 -6.481 1.00 0.00 P ATOM 99 OP1 C A 7 2.651 4.944 -7.661 1.00 0.00 O ATOM 100 OP2 C A 7 2.571 4.413 -5.196 1.00 0.00 O ATOM 101 O5' C A 7 3.658 2.824 -6.770 1.00 0.00 O ATOM 102 C5' C A 7 4.108 2.326 -8.026 1.00 0.00 C ATOM 103 C4' C A 7 4.352 0.792 -7.997 1.00 0.00 C ATOM 104 O4' C A 7 5.595 0.445 -7.285 1.00 0.00 O ATOM 105 C3' C A 7 3.264 0.019 -7.250 1.00 0.00 C ATOM 106 O3' C A 7 2.123 -0.245 -8.070 1.00 0.00 O ATOM 107 C2' C A 7 3.981 -1.217 -6.738 1.00 0.00 C ATOM 108 O2' C A 7 3.899 -2.332 -7.614 1.00 0.00 O ATOM 109 C1' C A 7 5.440 -0.809 -6.577 1.00 0.00 C ATOM 110 N1 C A 7 5.693 -0.712 -5.116 1.00 0.00 N ATOM 111 C2 C A 7 6.069 -1.893 -4.370 1.00 0.00 C ATOM 112 O2 C A 7 6.282 -2.991 -4.917 1.00 0.00 O ATOM 113 N3 C A 7 6.187 -1.783 -3.000 1.00 0.00 N ATOM 114 C4 C A 7 5.962 -0.604 -2.362 1.00 0.00 C ATOM 115 N4 C A 7 6.056 -0.521 -1.001 1.00 0.00 N ATOM 116 C5 C A 7 5.596 0.561 -3.145 1.00 0.00 C ATOM 117 C6 C A 7 5.482 0.461 -4.452 1.00 0.00 C ATOM 0 H5' C A 7 5.031 2.834 -8.306 1.00 0.00 H new ATOM 0 H5'' C A 7 3.370 2.560 -8.793 1.00 0.00 H new ATOM 0 H4' C A 7 4.380 0.519 -9.052 1.00 0.00 H new ATOM 0 H3' C A 7 2.825 0.581 -6.425 1.00 0.00 H new ATOM 0 H2' C A 7 3.513 -1.542 -5.809 1.00 0.00 H new ATOM 0 HO2' C A 7 3.482 -3.085 -7.146 1.00 0.00 H new ATOM 0 H1' C A 7 6.162 -1.513 -6.990 1.00 0.00 H new ATOM 0 H41 C A 7 5.885 0.368 -0.531 1.00 0.00 H new ATOM 0 H42 C A 7 6.297 -1.348 -0.455 1.00 0.00 H new ATOM 0 H5 C A 7 5.418 1.508 -2.657 1.00 0.00 H new ATOM 0 H6 C A 7 5.212 1.339 -5.020 1.00 0.00 H new ATOM 129 P U A 8 0.677 -0.632 -7.535 1.00 0.00 P ATOM 130 OP1 U A 8 -0.255 -0.625 -8.688 1.00 0.00 O ATOM 131 OP2 U A 8 0.318 0.266 -6.416 1.00 0.00 O ATOM 132 O5' U A 8 0.849 -2.132 -6.974 1.00 0.00 O ATOM 133 C5' U A 8 0.909 -3.210 -7.914 1.00 0.00 C ATOM 134 C4' U A 8 1.305 -4.593 -7.324 1.00 0.00 C ATOM 135 O4' U A 8 2.586 -4.624 -6.643 1.00 0.00 O ATOM 136 C3' U A 8 0.314 -5.256 -6.384 1.00 0.00 C ATOM 137 O3' U A 8 -0.666 -5.926 -7.172 1.00 0.00 O ATOM 138 C2' U A 8 1.194 -6.245 -5.599 1.00 0.00 C ATOM 139 O2' U A 8 1.323 -7.535 -6.204 1.00 0.00 O ATOM 140 C1' U A 8 2.559 -5.557 -5.547 1.00 0.00 C ATOM 141 N1 U A 8 2.916 -4.901 -4.243 1.00 0.00 N ATOM 142 C2 U A 8 3.233 -5.731 -3.106 1.00 0.00 C ATOM 143 O2 U A 8 3.224 -6.969 -3.105 1.00 0.00 O ATOM 144 N3 U A 8 3.569 -5.012 -1.933 1.00 0.00 N ATOM 145 C4 U A 8 3.618 -3.600 -1.791 1.00 0.00 C ATOM 146 O4 U A 8 3.924 -3.068 -0.720 1.00 0.00 O ATOM 147 C5 U A 8 3.284 -2.865 -2.996 1.00 0.00 C ATOM 148 C6 U A 8 2.957 -3.520 -4.129 1.00 0.00 C ATOM 0 H5' U A 8 1.624 -2.949 -8.694 1.00 0.00 H new ATOM 0 H5'' U A 8 -0.065 -3.305 -8.394 1.00 0.00 H new ATOM 0 H4' U A 8 1.337 -5.159 -8.255 1.00 0.00 H new ATOM 0 H3' U A 8 -0.224 -4.579 -5.721 1.00 0.00 H new ATOM 0 H2' U A 8 0.749 -6.452 -4.626 1.00 0.00 H new ATOM 0 HO2' U A 8 0.674 -7.621 -6.933 1.00 0.00 H new ATOM 0 H1' U A 8 3.328 -6.324 -5.635 1.00 0.00 H new ATOM 0 H3 U A 8 3.799 -5.564 -1.107 1.00 0.00 H new ATOM 0 H5 U A 8 3.297 -1.785 -2.986 1.00 0.00 H new ATOM 0 H6 U A 8 2.712 -2.932 -5.001 1.00 0.00 H new ATOM 159 P G A 9 -2.193 -6.132 -6.881 1.00 0.00 P ATOM 160 OP1 G A 9 -2.737 -7.069 -7.892 1.00 0.00 O ATOM 161 OP2 G A 9 -2.841 -4.806 -6.808 1.00 0.00 O ATOM 162 O5' G A 9 -2.197 -6.820 -5.447 1.00 0.00 O ATOM 163 C5' G A 9 -1.914 -8.211 -5.276 1.00 0.00 C ATOM 164 C4' G A 9 -1.695 -8.614 -3.791 1.00 0.00 C ATOM 165 O4' G A 9 -0.471 -8.031 -3.233 1.00 0.00 O ATOM 166 C3' G A 9 -2.819 -8.152 -2.865 1.00 0.00 C ATOM 167 O3' G A 9 -3.871 -9.119 -2.842 1.00 0.00 O ATOM 168 C2' G A 9 -2.131 -7.939 -1.516 1.00 0.00 C ATOM 169 O2' G A 9 -2.164 -9.091 -0.669 1.00 0.00 O ATOM 170 C1' G A 9 -0.680 -7.584 -1.880 1.00 0.00 C ATOM 171 N9 G A 9 -0.341 -6.128 -1.754 1.00 0.00 N ATOM 172 C8 G A 9 -0.388 -5.145 -2.698 1.00 0.00 C ATOM 173 N7 G A 9 -0.070 -3.949 -2.277 1.00 0.00 N ATOM 174 C5 G A 9 0.217 -4.124 -0.958 1.00 0.00 C ATOM 175 C6 G A 9 0.615 -3.159 -0.030 1.00 0.00 C ATOM 176 O6 G A 9 0.761 -1.963 -0.275 1.00 0.00 O ATOM 177 N1 G A 9 0.827 -3.724 1.249 1.00 0.00 N ATOM 178 C2 G A 9 0.669 -5.077 1.580 1.00 0.00 C ATOM 179 N2 G A 9 0.970 -5.320 2.874 1.00 0.00 N ATOM 180 N3 G A 9 0.277 -5.992 0.654 1.00 0.00 N ATOM 181 C4 G A 9 0.069 -5.463 -0.582 1.00 0.00 C ATOM 0 H5' G A 9 -1.024 -8.467 -5.850 1.00 0.00 H new ATOM 0 H5'' G A 9 -2.737 -8.796 -5.687 1.00 0.00 H new ATOM 0 H4' G A 9 -1.648 -9.702 -3.826 1.00 0.00 H new ATOM 0 H3' G A 9 -3.311 -7.233 -3.185 1.00 0.00 H new ATOM 0 H2' G A 9 -2.642 -7.164 -0.944 1.00 0.00 H new ATOM 0 HO2' G A 9 -1.864 -8.844 0.231 1.00 0.00 H new ATOM 0 H1' G A 9 -0.020 -8.079 -1.167 1.00 0.00 H new ATOM 0 H8 G A 9 -0.668 -5.341 -3.722 1.00 0.00 H new ATOM 0 H1 G A 9 1.120 -3.093 1.995 1.00 0.00 H new ATOM 0 H21 G A 9 0.897 -6.267 3.245 1.00 0.00 H new ATOM 0 H22 G A 9 1.271 -4.556 3.480 1.00 0.00 H new ATOM 193 P A A 10 -5.390 -8.856 -3.199 1.00 0.00 P ATOM 194 OP1 A A 10 -5.896 -10.019 -3.960 1.00 0.00 O ATOM 195 OP2 A A 10 -5.544 -7.522 -3.834 1.00 0.00 O ATOM 196 O5' A A 10 -6.050 -8.879 -1.749 1.00 0.00 O ATOM 197 C5' A A 10 -7.199 -8.098 -1.418 1.00 0.00 C ATOM 198 C4' A A 10 -6.929 -7.092 -0.265 1.00 0.00 C ATOM 199 O4' A A 10 -6.779 -7.796 1.011 1.00 0.00 O ATOM 200 C3' A A 10 -5.660 -6.240 -0.452 1.00 0.00 C ATOM 201 O3' A A 10 -5.906 -4.830 -0.299 1.00 0.00 O ATOM 202 C2' A A 10 -4.692 -6.828 0.573 1.00 0.00 C ATOM 203 O2' A A 10 -3.670 -5.960 1.040 1.00 0.00 O ATOM 204 C1' A A 10 -5.562 -7.436 1.665 1.00 0.00 C ATOM 205 N9 A A 10 -5.011 -8.697 2.214 1.00 0.00 N ATOM 206 C8 A A 10 -4.467 -9.762 1.557 1.00 0.00 C ATOM 207 N7 A A 10 -4.089 -10.747 2.340 1.00 0.00 N ATOM 208 C5 A A 10 -4.400 -10.307 3.603 1.00 0.00 C ATOM 209 C6 A A 10 -4.229 -10.932 4.857 1.00 0.00 C ATOM 210 N6 A A 10 -3.681 -12.185 4.922 1.00 0.00 N ATOM 211 N1 A A 10 -4.659 -10.190 5.936 1.00 0.00 N ATOM 212 C2 A A 10 -5.191 -8.976 5.735 1.00 0.00 C ATOM 213 N3 A A 10 -5.392 -8.316 4.613 1.00 0.00 N ATOM 214 C4 A A 10 -4.970 -9.043 3.559 1.00 0.00 C ATOM 0 H5' A A 10 -8.014 -8.762 -1.132 1.00 0.00 H new ATOM 0 H5'' A A 10 -7.529 -7.552 -2.302 1.00 0.00 H new ATOM 0 H4' A A 10 -7.795 -6.431 -0.274 1.00 0.00 H new ATOM 0 H3' A A 10 -5.254 -6.286 -1.462 1.00 0.00 H new ATOM 0 H2' A A 10 -4.074 -7.588 0.095 1.00 0.00 H new ATOM 0 HO2' A A 10 -3.978 -5.497 1.847 1.00 0.00 H new ATOM 0 H1' A A 10 -5.654 -6.721 2.482 1.00 0.00 H new ATOM 0 H8 A A 10 -4.356 -9.793 0.483 1.00 0.00 H new ATOM 0 H61 A A 10 -3.556 -12.640 5.826 1.00 0.00 H new ATOM 0 H62 A A 10 -3.398 -12.663 4.066 1.00 0.00 H new ATOM 0 H2 A A 10 -5.503 -8.460 6.631 1.00 0.00 H new ATOM 226 P C A 11 -5.265 -3.867 -1.414 1.00 0.00 P ATOM 227 OP1 C A 11 -6.172 -3.783 -2.584 1.00 0.00 O ATOM 228 OP2 C A 11 -3.873 -4.298 -1.669 1.00 0.00 O ATOM 229 O5' C A 11 -5.183 -2.462 -0.704 1.00 0.00 O ATOM 230 C5' C A 11 -6.322 -1.649 -0.464 1.00 0.00 C ATOM 231 C4' C A 11 -6.141 -0.897 0.864 1.00 0.00 C ATOM 232 O4' C A 11 -7.286 -0.028 1.128 1.00 0.00 O ATOM 233 C3' C A 11 -6.109 -1.826 2.080 1.00 0.00 C ATOM 234 O3' C A 11 -4.795 -1.817 2.629 1.00 0.00 O ATOM 235 C2' C A 11 -7.168 -1.319 3.064 1.00 0.00 C ATOM 236 O2' C A 11 -6.786 -1.356 4.438 1.00 0.00 O ATOM 237 C1' C A 11 -7.504 0.080 2.547 1.00 0.00 C ATOM 238 N1 C A 11 -8.932 0.403 2.897 1.00 0.00 N ATOM 239 C2 C A 11 -9.255 0.983 4.189 1.00 0.00 C ATOM 240 O2 C A 11 -8.379 1.258 5.035 1.00 0.00 O ATOM 241 N3 C A 11 -10.586 1.230 4.475 1.00 0.00 N ATOM 242 C4 C A 11 -11.574 0.944 3.582 1.00 0.00 C ATOM 243 N4 C A 11 -12.890 1.173 3.866 1.00 0.00 N ATOM 244 C5 C A 11 -11.233 0.371 2.299 1.00 0.00 C ATOM 245 C6 C A 11 -9.960 0.131 2.019 1.00 0.00 C ATOM 0 H5' C A 11 -7.221 -2.265 -0.427 1.00 0.00 H new ATOM 0 H5'' C A 11 -6.455 -0.940 -1.281 1.00 0.00 H new ATOM 0 H4' C A 11 -5.200 -0.361 0.745 1.00 0.00 H new ATOM 0 H3' C A 11 -6.340 -2.860 1.824 1.00 0.00 H new ATOM 0 H2' C A 11 -8.038 -1.976 3.084 1.00 0.00 H new ATOM 0 HO2' C A 11 -7.201 -0.606 4.913 1.00 0.00 H new ATOM 0 H1' C A 11 -6.906 0.883 2.977 1.00 0.00 H new ATOM 0 H41 C A 11 -13.607 0.948 3.176 1.00 0.00 H new ATOM 0 H42 C A 11 -13.156 1.569 4.768 1.00 0.00 H new ATOM 0 H5 C A 11 -12.005 0.142 1.579 1.00 0.00 H new ATOM 0 H6 C A 11 -9.716 -0.298 1.058 1.00 0.00 H new ATOM 257 P A A 12 -3.865 -3.071 2.736 1.00 0.00 P ATOM 258 OP1 A A 12 -3.032 -3.144 1.511 1.00 0.00 O ATOM 259 OP2 A A 12 -4.672 -4.255 3.110 1.00 0.00 O ATOM 260 O5' A A 12 -2.975 -2.649 3.977 1.00 0.00 O ATOM 261 C5' A A 12 -1.756 -3.315 4.285 1.00 0.00 C ATOM 262 C4' A A 12 -1.933 -4.345 5.420 1.00 0.00 C ATOM 263 O4' A A 12 -2.641 -5.528 4.924 1.00 0.00 O ATOM 264 C3' A A 12 -0.610 -4.916 5.926 1.00 0.00 C ATOM 265 O3' A A 12 0.064 -4.051 6.846 1.00 0.00 O ATOM 266 C2' A A 12 -1.006 -6.277 6.496 1.00 0.00 C ATOM 267 O2' A A 12 -1.460 -6.237 7.847 1.00 0.00 O ATOM 268 C1' A A 12 -2.117 -6.723 5.525 1.00 0.00 C ATOM 269 N9 A A 12 -1.703 -7.725 4.477 1.00 0.00 N ATOM 270 C8 A A 12 -1.649 -7.611 3.108 1.00 0.00 C ATOM 271 N7 A A 12 -1.278 -8.695 2.477 1.00 0.00 N ATOM 272 C5 A A 12 -1.061 -9.610 3.467 1.00 0.00 C ATOM 273 C6 A A 12 -0.646 -10.952 3.369 1.00 0.00 C ATOM 274 N6 A A 12 -0.431 -11.498 2.132 1.00 0.00 N ATOM 275 N1 A A 12 -0.514 -11.606 4.568 1.00 0.00 N ATOM 276 C2 A A 12 -0.778 -10.964 5.712 1.00 0.00 C ATOM 277 N3 A A 12 -1.177 -9.708 5.907 1.00 0.00 N ATOM 278 C4 A A 12 -1.305 -9.060 4.720 1.00 0.00 C ATOM 0 H5' A A 12 -1.005 -2.581 4.575 1.00 0.00 H new ATOM 0 H5'' A A 12 -1.382 -3.818 3.393 1.00 0.00 H new ATOM 0 H4' A A 12 -2.459 -3.802 6.205 1.00 0.00 H new ATOM 0 H3' A A 12 0.140 -5.016 5.142 1.00 0.00 H new ATOM 0 H2' A A 12 -0.159 -6.961 6.556 1.00 0.00 H new ATOM 0 HO2' A A 12 -1.044 -5.480 8.310 1.00 0.00 H new ATOM 0 H1' A A 12 -2.867 -7.266 6.100 1.00 0.00 H new ATOM 0 H8 A A 12 -1.895 -6.695 2.592 1.00 0.00 H new ATOM 0 H61 A A 12 -0.130 -12.469 2.048 1.00 0.00 H new ATOM 0 H62 A A 12 -0.572 -10.934 1.294 1.00 0.00 H new ATOM 0 H2 A A 12 -0.649 -11.551 6.610 1.00 0.00 H new ATOM 290 P A A 13 1.607 -3.680 6.663 1.00 0.00 P ATOM 291 OP1 A A 13 1.938 -2.563 7.579 1.00 0.00 O ATOM 292 OP2 A A 13 1.897 -3.466 5.225 1.00 0.00 O ATOM 293 O5' A A 13 2.361 -5.001 7.127 1.00 0.00 O ATOM 294 C5' A A 13 2.362 -5.418 8.491 1.00 0.00 C ATOM 295 C4' A A 13 2.652 -6.930 8.653 1.00 0.00 C ATOM 296 O4' A A 13 1.666 -7.743 7.925 1.00 0.00 O ATOM 297 C3' A A 13 3.995 -7.400 8.086 1.00 0.00 C ATOM 298 O3' A A 13 5.108 -7.181 8.956 1.00 0.00 O ATOM 299 C2' A A 13 3.741 -8.886 7.827 1.00 0.00 C ATOM 300 O2' A A 13 3.839 -9.711 8.990 1.00 0.00 O ATOM 301 C1' A A 13 2.308 -8.867 7.285 1.00 0.00 C ATOM 302 N9 A A 13 2.203 -8.816 5.786 1.00 0.00 N ATOM 303 C8 A A 13 1.820 -7.784 4.986 1.00 0.00 C ATOM 304 N7 A A 13 1.825 -8.044 3.707 1.00 0.00 N ATOM 305 C5 A A 13 2.240 -9.334 3.617 1.00 0.00 C ATOM 306 C6 A A 13 2.430 -10.130 2.474 1.00 0.00 C ATOM 307 N6 A A 13 2.176 -9.604 1.231 1.00 0.00 N ATOM 308 N1 A A 13 2.863 -11.408 2.732 1.00 0.00 N ATOM 309 C2 A A 13 3.068 -11.805 3.993 1.00 0.00 C ATOM 310 N3 A A 13 2.916 -11.126 5.134 1.00 0.00 N ATOM 311 C4 A A 13 2.489 -9.864 4.878 1.00 0.00 C ATOM 0 H5' A A 13 1.395 -5.188 8.938 1.00 0.00 H new ATOM 0 H5'' A A 13 3.111 -4.848 9.041 1.00 0.00 H new ATOM 0 H4' A A 13 2.631 -7.061 9.735 1.00 0.00 H new ATOM 0 H3' A A 13 4.285 -6.839 7.198 1.00 0.00 H new ATOM 0 H2' A A 13 4.485 -9.318 7.158 1.00 0.00 H new ATOM 0 HO2' A A 13 4.453 -9.298 9.633 1.00 0.00 H new ATOM 0 H1' A A 13 1.812 -9.809 7.521 1.00 0.00 H new ATOM 0 H8 A A 13 1.533 -6.820 5.380 1.00 0.00 H new ATOM 0 H61 A A 13 2.312 -10.176 0.398 1.00 0.00 H new ATOM 0 H62 A A 13 1.852 -8.641 1.141 1.00 0.00 H new ATOM 0 H2 A A 13 3.406 -12.824 4.105 1.00 0.00 H new ATOM 323 P A A 14 6.508 -6.660 8.394 1.00 0.00 P ATOM 324 OP1 A A 14 7.494 -6.686 9.501 1.00 0.00 O ATOM 325 OP2 A A 14 6.298 -5.354 7.726 1.00 0.00 O ATOM 326 O5' A A 14 6.929 -7.722 7.285 1.00 0.00 O ATOM 327 C5' A A 14 7.280 -9.065 7.588 1.00 0.00 C ATOM 328 C4' A A 14 7.369 -9.986 6.338 1.00 0.00 C ATOM 329 O4' A A 14 6.075 -10.124 5.650 1.00 0.00 O ATOM 330 C3' A A 14 8.337 -9.503 5.261 1.00 0.00 C ATOM 331 O3' A A 14 9.670 -9.933 5.550 1.00 0.00 O ATOM 332 C2' A A 14 7.726 -10.061 3.963 1.00 0.00 C ATOM 333 O2' A A 14 8.139 -11.394 3.672 1.00 0.00 O ATOM 334 C1' A A 14 6.217 -9.976 4.226 1.00 0.00 C ATOM 335 N9 A A 14 5.586 -8.689 3.760 1.00 0.00 N ATOM 336 C8 A A 14 5.192 -7.627 4.514 1.00 0.00 C ATOM 337 N7 A A 14 4.696 -6.614 3.852 1.00 0.00 N ATOM 338 C5 A A 14 4.752 -7.014 2.546 1.00 0.00 C ATOM 339 C6 A A 14 4.353 -6.329 1.384 1.00 0.00 C ATOM 340 N6 A A 14 3.833 -5.071 1.493 1.00 0.00 N ATOM 341 N1 A A 14 4.542 -7.014 0.211 1.00 0.00 N ATOM 342 C2 A A 14 5.071 -8.241 0.234 1.00 0.00 C ATOM 343 N3 A A 14 5.481 -8.973 1.276 1.00 0.00 N ATOM 344 C4 A A 14 5.293 -8.293 2.435 1.00 0.00 C ATOM 0 H5' A A 14 6.544 -9.476 8.279 1.00 0.00 H new ATOM 0 H5'' A A 14 8.241 -9.073 8.103 1.00 0.00 H new ATOM 0 H4' A A 14 7.718 -10.927 6.764 1.00 0.00 H new ATOM 0 H3' A A 14 8.446 -8.421 5.190 1.00 0.00 H new ATOM 0 H2' A A 14 8.048 -9.501 3.085 1.00 0.00 H new ATOM 0 HO2' A A 14 9.102 -11.406 3.491 1.00 0.00 H new ATOM 0 H1' A A 14 5.698 -10.750 3.660 1.00 0.00 H new ATOM 0 H8 A A 14 5.283 -7.621 5.590 1.00 0.00 H new ATOM 0 H61 A A 14 3.541 -4.566 0.657 1.00 0.00 H new ATOM 0 H62 A A 14 3.737 -4.637 2.411 1.00 0.00 H new ATOM 0 H2 A A 14 5.184 -8.711 -0.732 1.00 0.00 H new ATOM 356 P G A 15 10.943 -9.304 4.841 1.00 0.00 P ATOM 357 OP1 G A 15 12.152 -9.766 5.560 1.00 0.00 O ATOM 358 OP2 G A 15 10.766 -7.837 4.701 1.00 0.00 O ATOM 359 O5' G A 15 10.885 -10.043 3.436 1.00 0.00 O ATOM 360 C5' G A 15 11.200 -9.386 2.222 1.00 0.00 C ATOM 361 C4' G A 15 10.496 -10.069 1.031 1.00 0.00 C ATOM 362 O4' G A 15 9.058 -9.800 1.017 1.00 0.00 O ATOM 363 C3' G A 15 11.020 -9.553 -0.303 1.00 0.00 C ATOM 364 O3' G A 15 12.024 -10.440 -0.803 1.00 0.00 O ATOM 365 C2' G A 15 9.783 -9.465 -1.202 1.00 0.00 C ATOM 366 O2' G A 15 9.515 -10.647 -1.959 1.00 0.00 O ATOM 367 C1' G A 15 8.656 -9.186 -0.211 1.00 0.00 C ATOM 368 N9 G A 15 8.266 -7.755 0.037 1.00 0.00 N ATOM 369 C8 G A 15 8.269 -7.086 1.221 1.00 0.00 C ATOM 370 N7 G A 15 7.870 -5.838 1.157 1.00 0.00 N ATOM 371 C5 G A 15 7.571 -5.640 -0.164 1.00 0.00 C ATOM 372 C6 G A 15 7.096 -4.473 -0.789 1.00 0.00 C ATOM 373 O6 G A 15 6.867 -3.394 -0.226 1.00 0.00 O ATOM 374 N1 G A 15 6.908 -4.680 -2.188 1.00 0.00 N ATOM 375 C2 G A 15 7.154 -5.877 -2.890 1.00 0.00 C ATOM 376 N2 G A 15 6.887 -5.777 -4.222 1.00 0.00 N ATOM 377 N3 G A 15 7.614 -6.979 -2.242 1.00 0.00 N ATOM 378 C4 G A 15 7.802 -6.808 -0.904 1.00 0.00 C ATOM 0 H5' G A 15 12.279 -9.396 2.067 1.00 0.00 H new ATOM 0 H5'' G A 15 10.896 -8.341 2.279 1.00 0.00 H new ATOM 0 H4' G A 15 10.697 -11.133 1.156 1.00 0.00 H new ATOM 0 H3' G A 15 11.505 -8.579 -0.237 1.00 0.00 H new ATOM 0 H2' G A 15 9.912 -8.702 -1.970 1.00 0.00 H new ATOM 0 HO2' G A 15 10.329 -11.190 -2.017 1.00 0.00 H new ATOM 0 H1' G A 15 7.748 -9.592 -0.658 1.00 0.00 H new ATOM 0 H8 G A 15 8.578 -7.549 2.147 1.00 0.00 H new ATOM 0 H1 G A 15 6.563 -3.888 -2.731 1.00 0.00 H new ATOM 0 H21 G A 15 7.028 -6.582 -4.832 1.00 0.00 H new ATOM 0 H22 G A 15 6.546 -4.897 -4.609 1.00 0.00 H new ATOM 390 P C A 16 13.426 -9.937 -1.339 1.00 0.00 P ATOM 391 OP1 C A 16 14.238 -11.116 -1.722 1.00 0.00 O ATOM 392 OP2 C A 16 14.028 -9.006 -0.356 1.00 0.00 O ATOM 393 O5' C A 16 13.023 -9.115 -2.628 1.00 0.00 O ATOM 394 C5' C A 16 12.577 -9.735 -3.831 1.00 0.00 C ATOM 395 C4' C A 16 12.075 -8.700 -4.867 1.00 0.00 C ATOM 396 O4' C A 16 10.817 -8.068 -4.445 1.00 0.00 O ATOM 397 C3' C A 16 13.035 -7.528 -5.085 1.00 0.00 C ATOM 398 O3' C A 16 14.101 -7.883 -5.970 1.00 0.00 O ATOM 399 C2' C A 16 12.117 -6.407 -5.566 1.00 0.00 C ATOM 400 O2' C A 16 11.855 -6.419 -6.969 1.00 0.00 O ATOM 401 C1' C A 16 10.839 -6.653 -4.734 1.00 0.00 C ATOM 402 N1 C A 16 10.682 -5.815 -3.479 1.00 0.00 N ATOM 403 C2 C A 16 10.261 -4.440 -3.629 1.00 0.00 C ATOM 404 O2 C A 16 10.025 -3.927 -4.740 1.00 0.00 O ATOM 405 N3 C A 16 10.119 -3.673 -2.493 1.00 0.00 N ATOM 406 C4 C A 16 10.361 -4.167 -1.253 1.00 0.00 C ATOM 407 N4 C A 16 10.214 -3.391 -0.140 1.00 0.00 N ATOM 408 C5 C A 16 10.780 -5.536 -1.095 1.00 0.00 C ATOM 409 C6 C A 16 10.923 -6.298 -2.191 1.00 0.00 C ATOM 0 H5' C A 16 11.775 -10.436 -3.601 1.00 0.00 H new ATOM 0 H5'' C A 16 13.392 -10.315 -4.264 1.00 0.00 H new ATOM 0 H4' C A 16 11.968 -9.290 -5.777 1.00 0.00 H new ATOM 0 H3' C A 16 13.579 -7.213 -4.194 1.00 0.00 H new ATOM 0 H2' C A 16 12.564 -5.423 -5.425 1.00 0.00 H new ATOM 0 HO2' C A 16 12.582 -6.884 -7.434 1.00 0.00 H new ATOM 0 H1' C A 16 9.982 -6.329 -5.325 1.00 0.00 H new ATOM 0 H41 C A 16 10.401 -3.783 0.783 1.00 0.00 H new ATOM 0 H42 C A 16 9.917 -2.420 -0.231 1.00 0.00 H new ATOM 0 H5 C A 16 10.975 -5.942 -0.113 1.00 0.00 H new ATOM 0 H6 C A 16 11.237 -7.325 -2.072 1.00 0.00 H new ATOM 421 P G A 17 15.469 -7.078 -6.035 1.00 0.00 P ATOM 422 OP1 G A 17 16.480 -7.930 -6.702 1.00 0.00 O ATOM 423 OP2 G A 17 15.815 -6.551 -4.691 1.00 0.00 O ATOM 424 O5' G A 17 15.065 -5.907 -7.027 1.00 0.00 O ATOM 425 C5' G A 17 15.655 -4.621 -6.941 1.00 0.00 C ATOM 426 C4' G A 17 14.906 -3.627 -7.850 1.00 0.00 C ATOM 427 O4' G A 17 13.500 -3.489 -7.433 1.00 0.00 O ATOM 428 C3' G A 17 15.484 -2.206 -7.768 1.00 0.00 C ATOM 429 O3' G A 17 16.474 -1.982 -8.775 1.00 0.00 O ATOM 430 C2' G A 17 14.263 -1.297 -7.921 1.00 0.00 C ATOM 431 O2' G A 17 13.869 -1.087 -9.281 1.00 0.00 O ATOM 432 C1' G A 17 13.189 -2.110 -7.173 1.00 0.00 C ATOM 433 N9 G A 17 12.982 -1.879 -5.701 1.00 0.00 N ATOM 434 C8 G A 17 13.067 -2.768 -4.663 1.00 0.00 C ATOM 435 N7 G A 17 12.812 -2.269 -3.484 1.00 0.00 N ATOM 436 C5 G A 17 12.532 -0.959 -3.721 1.00 0.00 C ATOM 437 C6 G A 17 12.192 0.027 -2.792 1.00 0.00 C ATOM 438 O6 G A 17 12.083 -0.148 -1.574 1.00 0.00 O ATOM 439 N1 G A 17 11.973 1.279 -3.427 1.00 0.00 N ATOM 440 C2 G A 17 12.075 1.543 -4.807 1.00 0.00 C ATOM 441 N2 G A 17 11.810 2.839 -5.121 1.00 0.00 N ATOM 442 N3 G A 17 12.409 0.549 -5.675 1.00 0.00 N ATOM 443 C4 G A 17 12.624 -0.660 -5.086 1.00 0.00 C ATOM 0 H5' G A 17 16.703 -4.674 -7.235 1.00 0.00 H new ATOM 0 H5'' G A 17 15.630 -4.270 -5.909 1.00 0.00 H new ATOM 0 H4' G A 17 15.006 -4.033 -8.857 1.00 0.00 H new ATOM 0 H3' G A 17 16.010 -2.016 -6.832 1.00 0.00 H new ATOM 0 H2' G A 17 14.443 -0.290 -7.544 1.00 0.00 H new ATOM 0 HO2' G A 17 14.644 -1.207 -9.868 1.00 0.00 H new ATOM 0 H1' G A 17 12.229 -1.766 -7.559 1.00 0.00 H new ATOM 0 H8 G A 17 13.326 -3.806 -4.809 1.00 0.00 H new ATOM 0 H1 G A 17 11.717 2.062 -2.826 1.00 0.00 H new ATOM 0 H21 G A 17 11.853 3.148 -6.092 1.00 0.00 H new ATOM 0 H22 G A 17 11.568 3.503 -4.385 1.00 0.00 H new ATOM 455 P C A 18 17.863 -1.275 -8.467 1.00 0.00 P ATOM 456 OP1 C A 18 18.658 -1.234 -9.716 1.00 0.00 O ATOM 457 OP2 C A 18 18.497 -1.931 -7.299 1.00 0.00 O ATOM 458 O5' C A 18 17.447 0.196 -8.044 1.00 0.00 O ATOM 459 C5' C A 18 16.948 1.154 -8.976 1.00 0.00 C ATOM 460 C4' C A 18 16.475 2.455 -8.280 1.00 0.00 C ATOM 461 O4' C A 18 15.330 2.202 -7.405 1.00 0.00 O ATOM 462 C3' C A 18 17.528 3.113 -7.392 1.00 0.00 C ATOM 463 O3' C A 18 18.326 4.053 -8.109 1.00 0.00 O ATOM 464 C2' C A 18 16.763 3.705 -6.209 1.00 0.00 C ATOM 465 O2' C A 18 16.453 5.093 -6.330 1.00 0.00 O ATOM 466 C1' C A 18 15.475 2.870 -6.136 1.00 0.00 C ATOM 467 N1 C A 18 15.441 1.941 -4.962 1.00 0.00 N ATOM 468 C2 C A 18 15.229 2.466 -3.626 1.00 0.00 C ATOM 469 O2 C A 18 15.070 3.681 -3.398 1.00 0.00 O ATOM 470 N3 C A 18 15.205 1.572 -2.575 1.00 0.00 N ATOM 471 C4 C A 18 15.372 0.238 -2.774 1.00 0.00 C ATOM 472 N4 C A 18 15.346 -0.657 -1.744 1.00 0.00 N ATOM 473 C5 C A 18 15.580 -0.262 -4.111 1.00 0.00 C ATOM 474 C6 C A 18 15.606 0.594 -5.127 1.00 0.00 C ATOM 0 H5' C A 18 16.118 0.719 -9.532 1.00 0.00 H new ATOM 0 H5'' C A 18 17.726 1.394 -9.700 1.00 0.00 H new ATOM 0 H4' C A 18 16.233 3.117 -9.112 1.00 0.00 H new ATOM 0 H3' C A 18 18.264 2.395 -7.030 1.00 0.00 H new ATOM 0 H2' C A 18 17.378 3.659 -5.310 1.00 0.00 H new ATOM 0 HO2' C A 18 16.978 5.483 -7.060 1.00 0.00 H new ATOM 0 HO3' C A 18 18.985 4.452 -7.503 1.00 0.00 H new ATOM 0 H1' C A 18 14.617 3.519 -5.963 1.00 0.00 H new ATOM 0 H41 C A 18 15.475 -1.652 -1.929 1.00 0.00 H new ATOM 0 H42 C A 18 15.198 -0.331 -0.789 1.00 0.00 H new ATOM 0 H5 C A 18 15.713 -1.320 -4.284 1.00 0.00 H new ATOM 0 H6 C A 18 15.764 0.210 -6.124 1.00 0.00 H new TER 487 C A 18 ATOM 488 N ASN B 1 10.080 1.762 5.760 1.00 0.00 N ATOM 489 CA ASN B 1 9.410 1.458 4.462 1.00 0.00 C ATOM 490 C ASN B 1 8.136 2.276 4.298 1.00 0.00 C ATOM 491 O ASN B 1 7.420 2.535 5.273 1.00 0.00 O ATOM 492 CB ASN B 1 9.128 -0.080 4.373 1.00 0.00 C ATOM 493 CG ASN B 1 9.015 -0.615 2.929 1.00 0.00 C ATOM 494 OD1 ASN B 1 9.980 -1.189 2.407 1.00 0.00 O ATOM 495 ND2 ASN B 1 7.814 -0.460 2.293 1.00 0.00 N ATOM 0 H1 ASN B 1 10.800 1.038 5.957 1.00 0.00 H new ATOM 0 H2 ASN B 1 10.535 2.696 5.706 1.00 0.00 H new ATOM 0 H3 ASN B 1 9.373 1.765 6.523 1.00 0.00 H new ATOM 0 HA ASN B 1 10.070 1.738 3.641 1.00 0.00 H new ATOM 0 HB2 ASN B 1 9.926 -0.616 4.887 1.00 0.00 H new ATOM 0 HB3 ASN B 1 8.203 -0.301 4.905 1.00 0.00 H new ATOM 0 HD21 ASN B 1 7.686 -0.825 1.349 1.00 0.00 H new ATOM 0 HD22 ASN B 1 7.046 0.020 2.763 1.00 0.00 H new ATOM 503 N ALA B 2 7.838 2.691 3.031 1.00 0.00 N ATOM 504 CA ALA B 2 6.673 3.464 2.646 1.00 0.00 C ATOM 505 C ALA B 2 5.510 2.513 2.413 1.00 0.00 C ATOM 506 O ALA B 2 5.270 2.034 1.299 1.00 0.00 O ATOM 507 CB ALA B 2 6.931 4.395 1.446 1.00 0.00 C ATOM 0 H ALA B 2 8.442 2.475 2.238 1.00 0.00 H new ATOM 0 HA ALA B 2 6.421 4.142 3.462 1.00 0.00 H new ATOM 0 HB1 ALA B 2 6.020 4.944 1.209 1.00 0.00 H new ATOM 0 HB2 ALA B 2 7.725 5.099 1.696 1.00 0.00 H new ATOM 0 HB3 ALA B 2 7.231 3.801 0.583 1.00 0.00 H new ATOM 513 N LYS B 3 4.785 2.227 3.531 1.00 0.00 N ATOM 514 CA LYS B 3 3.608 1.385 3.644 1.00 0.00 C ATOM 515 C LYS B 3 2.378 2.293 3.627 1.00 0.00 C ATOM 516 O LYS B 3 1.538 2.163 2.736 1.00 0.00 O ATOM 517 CB LYS B 3 3.575 0.449 4.904 1.00 0.00 C ATOM 518 CG LYS B 3 4.728 -0.575 5.081 1.00 0.00 C ATOM 519 CD LYS B 3 4.841 -1.700 4.022 1.00 0.00 C ATOM 520 CE LYS B 3 5.968 -2.710 4.321 1.00 0.00 C ATOM 521 NZ LYS B 3 6.151 -3.686 3.222 1.00 0.00 N ATOM 0 H LYS B 3 5.047 2.621 4.435 1.00 0.00 H new ATOM 0 HA LYS B 3 3.625 0.699 2.797 1.00 0.00 H new ATOM 0 HB2 LYS B 3 3.552 1.083 5.790 1.00 0.00 H new ATOM 0 HB3 LYS B 3 2.636 -0.105 4.884 1.00 0.00 H new ATOM 0 HG2 LYS B 3 5.669 -0.026 5.093 1.00 0.00 H new ATOM 0 HG3 LYS B 3 4.619 -1.042 6.060 1.00 0.00 H new ATOM 0 HD2 LYS B 3 3.892 -2.232 3.965 1.00 0.00 H new ATOM 0 HD3 LYS B 3 5.014 -1.252 3.044 1.00 0.00 H new ATOM 0 HE2 LYS B 3 6.901 -2.172 4.486 1.00 0.00 H new ATOM 0 HE3 LYS B 3 5.740 -3.243 5.244 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 7.167 -3.846 3.065 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 5.694 -4.585 3.476 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 5.721 -3.313 2.352 1.00 0.00 H new ATOM 535 N THR B 4 2.260 3.241 4.615 1.00 0.00 N ATOM 536 CA THR B 4 1.166 4.196 4.811 1.00 0.00 C ATOM 537 C THR B 4 1.066 5.250 3.719 1.00 0.00 C ATOM 538 O THR B 4 -0.046 5.526 3.273 1.00 0.00 O ATOM 539 CB THR B 4 1.082 4.862 6.202 1.00 0.00 C ATOM 540 OG1 THR B 4 2.340 5.370 6.641 1.00 0.00 O ATOM 541 CG2 THR B 4 0.502 3.870 7.245 1.00 0.00 C ATOM 0 H THR B 4 2.982 3.347 5.328 1.00 0.00 H new ATOM 0 HA THR B 4 0.297 3.541 4.743 1.00 0.00 H new ATOM 0 HB THR B 4 0.410 5.715 6.107 1.00 0.00 H new ATOM 0 HG1 THR B 4 2.236 5.783 7.524 1.00 0.00 H new ATOM 0 HG21 THR B 4 0.450 4.356 8.219 1.00 0.00 H new ATOM 0 HG22 THR B 4 -0.498 3.563 6.938 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.146 2.993 7.311 1.00 0.00 H new ATOM 549 N ARG B 5 2.203 5.843 3.253 1.00 0.00 N ATOM 550 CA ARG B 5 2.285 6.847 2.196 1.00 0.00 C ATOM 551 C ARG B 5 1.581 6.390 0.913 1.00 0.00 C ATOM 552 O ARG B 5 0.722 7.122 0.409 1.00 0.00 O ATOM 553 CB ARG B 5 3.765 7.253 1.922 1.00 0.00 C ATOM 554 CG ARG B 5 4.456 8.137 2.987 1.00 0.00 C ATOM 555 CD ARG B 5 3.894 9.565 3.140 1.00 0.00 C ATOM 556 NE ARG B 5 4.713 10.294 4.180 1.00 0.00 N ATOM 557 CZ ARG B 5 4.403 10.423 5.513 1.00 0.00 C ATOM 558 NH1 ARG B 5 3.233 9.973 6.056 1.00 0.00 N ATOM 559 NH2 ARG B 5 5.316 11.031 6.332 1.00 0.00 N ATOM 0 H ARG B 5 3.120 5.610 3.634 1.00 0.00 H new ATOM 0 HA ARG B 5 1.755 7.732 2.548 1.00 0.00 H new ATOM 0 HB2 ARG B 5 4.351 6.341 1.806 1.00 0.00 H new ATOM 0 HB3 ARG B 5 3.802 7.779 0.968 1.00 0.00 H new ATOM 0 HG2 ARG B 5 4.385 7.634 3.951 1.00 0.00 H new ATOM 0 HG3 ARG B 5 5.516 8.208 2.741 1.00 0.00 H new ATOM 0 HD2 ARG B 5 3.936 10.093 2.187 1.00 0.00 H new ATOM 0 HD3 ARG B 5 2.846 9.530 3.439 1.00 0.00 H new ATOM 0 HE ARG B 5 5.578 10.732 3.863 1.00 0.00 H new ATOM 0 HH11 ARG B 5 2.539 9.515 5.465 1.00 0.00 H new ATOM 0 HH12 ARG B 5 3.053 10.095 7.053 1.00 0.00 H new ATOM 0 HH21 ARG B 5 6.197 11.373 5.948 1.00 0.00 H new ATOM 0 HH22 ARG B 5 5.115 11.142 7.326 1.00 0.00 H new ATOM 573 N ARG B 6 1.887 5.158 0.397 1.00 0.00 N ATOM 574 CA ARG B 6 1.244 4.546 -0.762 1.00 0.00 C ATOM 575 C ARG B 6 -0.207 4.161 -0.436 1.00 0.00 C ATOM 576 O ARG B 6 -1.096 4.447 -1.244 1.00 0.00 O ATOM 577 CB ARG B 6 2.006 3.337 -1.383 1.00 0.00 C ATOM 578 CG ARG B 6 2.261 2.121 -0.457 1.00 0.00 C ATOM 579 CD ARG B 6 2.835 0.885 -1.155 1.00 0.00 C ATOM 580 NE ARG B 6 1.752 0.122 -1.882 1.00 0.00 N ATOM 581 CZ ARG B 6 1.561 0.073 -3.238 1.00 0.00 C ATOM 582 NH1 ARG B 6 2.070 1.011 -4.086 1.00 0.00 N ATOM 583 NH2 ARG B 6 0.869 -0.988 -3.762 1.00 0.00 N ATOM 0 H ARG B 6 2.611 4.565 0.803 1.00 0.00 H new ATOM 0 HA ARG B 6 1.263 5.316 -1.533 1.00 0.00 H new ATOM 0 HB2 ARG B 6 1.444 2.991 -2.251 1.00 0.00 H new ATOM 0 HB3 ARG B 6 2.969 3.694 -1.748 1.00 0.00 H new ATOM 0 HG2 ARG B 6 2.946 2.424 0.335 1.00 0.00 H new ATOM 0 HG3 ARG B 6 1.322 1.845 0.023 1.00 0.00 H new ATOM 0 HD2 ARG B 6 3.608 1.188 -1.861 1.00 0.00 H new ATOM 0 HD3 ARG B 6 3.311 0.236 -0.420 1.00 0.00 H new ATOM 0 HE ARG B 6 1.099 -0.409 -1.306 1.00 0.00 H new ATOM 0 HH11 ARG B 6 2.618 1.788 -3.717 1.00 0.00 H new ATOM 0 HH12 ARG B 6 1.903 0.935 -5.089 1.00 0.00 H new ATOM 0 HH21 ARG B 6 0.510 -1.717 -3.146 1.00 0.00 H new ATOM 0 HH22 ARG B 6 0.713 -1.048 -4.768 1.00 0.00 H new ATOM 597 N HIS B 7 -0.467 3.520 0.759 1.00 0.00 N ATOM 598 CA HIS B 7 -1.752 3.089 1.289 1.00 0.00 C ATOM 599 C HIS B 7 -2.774 4.210 1.201 1.00 0.00 C ATOM 600 O HIS B 7 -3.809 3.973 0.606 1.00 0.00 O ATOM 601 CB HIS B 7 -1.681 2.520 2.737 1.00 0.00 C ATOM 602 CG HIS B 7 -3.011 2.137 3.335 1.00 0.00 C ATOM 603 ND1 HIS B 7 -3.415 0.849 3.552 1.00 0.00 N ATOM 604 CD2 HIS B 7 -4.007 2.941 3.774 1.00 0.00 C ATOM 605 CE1 HIS B 7 -4.618 0.881 4.104 1.00 0.00 C ATOM 606 NE2 HIS B 7 -4.998 2.138 4.257 1.00 0.00 N ATOM 0 H HIS B 7 0.293 3.289 1.399 1.00 0.00 H new ATOM 0 HA HIS B 7 -2.070 2.259 0.658 1.00 0.00 H new ATOM 0 HB2 HIS B 7 -1.034 1.643 2.736 1.00 0.00 H new ATOM 0 HB3 HIS B 7 -1.210 3.263 3.381 1.00 0.00 H new ATOM 0 HD2 HIS B 7 -4.016 4.021 3.747 1.00 0.00 H new ATOM 0 HE1 HIS B 7 -5.199 0.015 4.386 1.00 0.00 H new ATOM 0 HE2 HIS B 7 -5.878 2.452 4.665 1.00 0.00 H new ATOM 615 N GLU B 8 -2.510 5.439 1.743 1.00 0.00 N ATOM 616 CA GLU B 8 -3.343 6.643 1.718 1.00 0.00 C ATOM 617 C GLU B 8 -4.066 6.845 0.368 1.00 0.00 C ATOM 618 O GLU B 8 -5.292 6.967 0.355 1.00 0.00 O ATOM 619 CB GLU B 8 -2.505 7.914 2.103 1.00 0.00 C ATOM 620 CG GLU B 8 -2.216 8.085 3.619 1.00 0.00 C ATOM 621 CD GLU B 8 -1.257 9.257 3.864 1.00 0.00 C ATOM 622 OE1 GLU B 8 -1.684 10.429 3.673 1.00 0.00 O ATOM 623 OE2 GLU B 8 -0.088 8.999 4.259 1.00 0.00 O ATOM 0 H GLU B 8 -1.637 5.606 2.243 1.00 0.00 H new ATOM 0 HA GLU B 8 -4.121 6.498 2.468 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -1.554 7.877 1.571 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -3.034 8.799 1.749 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -3.150 8.256 4.154 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -1.784 7.167 4.017 1.00 0.00 H new ATOM 630 N ARG B 9 -3.323 6.838 -0.784 1.00 0.00 N ATOM 631 CA ARG B 9 -3.814 6.972 -2.159 1.00 0.00 C ATOM 632 C ARG B 9 -4.612 5.734 -2.596 1.00 0.00 C ATOM 633 O ARG B 9 -5.759 5.865 -3.020 1.00 0.00 O ATOM 634 CB ARG B 9 -2.676 7.230 -3.207 1.00 0.00 C ATOM 635 CG ARG B 9 -1.699 8.392 -2.897 1.00 0.00 C ATOM 636 CD ARG B 9 -0.560 8.544 -3.924 1.00 0.00 C ATOM 637 NE ARG B 9 0.450 9.526 -3.376 1.00 0.00 N ATOM 638 CZ ARG B 9 1.728 9.228 -2.969 1.00 0.00 C ATOM 639 NH1 ARG B 9 2.283 7.984 -3.088 1.00 0.00 N ATOM 640 NH2 ARG B 9 2.482 10.225 -2.415 1.00 0.00 N ATOM 0 H ARG B 9 -2.309 6.731 -0.755 1.00 0.00 H new ATOM 0 HA ARG B 9 -4.461 7.849 -2.141 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -2.094 6.314 -3.311 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -3.141 7.424 -4.174 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -2.262 9.324 -2.853 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -1.265 8.235 -1.909 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -0.088 7.580 -4.112 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -0.954 8.897 -4.877 1.00 0.00 H new ATOM 0 HE ARG B 9 0.156 10.500 -3.301 1.00 0.00 H new ATOM 0 HH11 ARG B 9 1.742 7.221 -3.496 1.00 0.00 H new ATOM 0 HH12 ARG B 9 3.238 7.819 -2.769 1.00 0.00 H new ATOM 0 HH21 ARG B 9 2.092 11.162 -2.313 1.00 0.00 H new ATOM 0 HH22 ARG B 9 3.434 10.032 -2.104 1.00 0.00 H new ATOM 654 N ARG B 10 -4.014 4.506 -2.490 1.00 0.00 N ATOM 655 CA ARG B 10 -4.560 3.188 -2.820 1.00 0.00 C ATOM 656 C ARG B 10 -5.903 2.919 -2.116 1.00 0.00 C ATOM 657 O ARG B 10 -6.844 2.459 -2.761 1.00 0.00 O ATOM 658 CB ARG B 10 -3.472 2.117 -2.484 1.00 0.00 C ATOM 659 CG ARG B 10 -3.709 0.653 -2.918 1.00 0.00 C ATOM 660 CD ARG B 10 -2.470 -0.233 -2.658 1.00 0.00 C ATOM 661 NE ARG B 10 -2.766 -1.675 -2.979 1.00 0.00 N ATOM 662 CZ ARG B 10 -2.509 -2.322 -4.163 1.00 0.00 C ATOM 663 NH1 ARG B 10 -2.041 -1.699 -5.280 1.00 0.00 N ATOM 664 NH2 ARG B 10 -2.738 -3.667 -4.205 1.00 0.00 N ATOM 0 H ARG B 10 -3.059 4.428 -2.141 1.00 0.00 H new ATOM 0 HA ARG B 10 -4.793 3.140 -3.884 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -2.535 2.447 -2.933 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -3.327 2.122 -1.404 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -4.565 0.248 -2.378 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -3.959 0.625 -3.978 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -1.635 0.115 -3.265 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -2.165 -0.143 -1.615 1.00 0.00 H new ATOM 0 HE ARG B 10 -3.202 -2.228 -2.241 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -1.862 -0.695 -5.267 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -1.870 -2.236 -6.130 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -3.086 -4.151 -3.378 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -2.561 -4.188 -5.064 1.00 0.00 H new ATOM 678 N ARG B 11 -6.019 3.247 -0.791 1.00 0.00 N ATOM 679 CA ARG B 11 -7.143 3.190 0.122 1.00 0.00 C ATOM 680 C ARG B 11 -8.319 3.913 -0.514 1.00 0.00 C ATOM 681 O ARG B 11 -9.345 3.264 -0.689 1.00 0.00 O ATOM 682 CB ARG B 11 -6.760 3.763 1.512 1.00 0.00 C ATOM 683 CG ARG B 11 -7.829 3.671 2.610 1.00 0.00 C ATOM 684 CD ARG B 11 -7.790 4.809 3.627 1.00 0.00 C ATOM 685 NE ARG B 11 -8.828 4.486 4.673 1.00 0.00 N ATOM 686 CZ ARG B 11 -9.249 5.310 5.685 1.00 0.00 C ATOM 687 NH1 ARG B 11 -8.738 6.560 5.890 1.00 0.00 N ATOM 688 NH2 ARG B 11 -10.229 4.843 6.518 1.00 0.00 N ATOM 0 H ARG B 11 -5.198 3.602 -0.301 1.00 0.00 H new ATOM 0 HA ARG B 11 -7.434 2.155 0.301 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.867 3.244 1.861 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.490 4.811 1.386 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.813 3.653 2.141 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -7.710 2.725 3.138 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.800 4.894 4.076 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -8.006 5.764 3.148 1.00 0.00 H new ATOM 0 HE ARG B 11 -9.259 3.563 4.622 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -8.008 6.920 5.275 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -9.086 7.134 6.658 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -10.620 3.912 6.374 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -10.569 5.426 7.283 1.00 0.00 H new ATOM 702 N LYS B 12 -8.192 5.228 -0.906 1.00 0.00 N ATOM 703 CA LYS B 12 -9.200 6.052 -1.583 1.00 0.00 C ATOM 704 C LYS B 12 -9.923 5.261 -2.683 1.00 0.00 C ATOM 705 O LYS B 12 -11.150 5.152 -2.645 1.00 0.00 O ATOM 706 CB LYS B 12 -8.638 7.405 -2.139 1.00 0.00 C ATOM 707 CG LYS B 12 -8.229 8.439 -1.060 1.00 0.00 C ATOM 708 CD LYS B 12 -7.558 9.718 -1.620 1.00 0.00 C ATOM 709 CE LYS B 12 -7.113 10.757 -0.568 1.00 0.00 C ATOM 710 NZ LYS B 12 -8.264 11.412 0.106 1.00 0.00 N ATOM 0 H LYS B 12 -7.330 5.747 -0.738 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.925 6.321 -0.814 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -7.770 7.191 -2.763 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -9.392 7.856 -2.785 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -9.116 8.726 -0.495 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -7.545 7.962 -0.358 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -6.686 9.423 -2.203 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -8.253 10.199 -2.308 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -6.488 10.268 0.180 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -6.498 11.517 -1.050 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -7.913 12.100 0.802 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -8.847 11.902 -0.602 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -8.838 10.692 0.590 1.00 0.00 H new ATOM 724 N LEU B 13 -9.157 4.650 -3.638 1.00 0.00 N ATOM 725 CA LEU B 13 -9.638 3.809 -4.726 1.00 0.00 C ATOM 726 C LEU B 13 -10.301 2.531 -4.249 1.00 0.00 C ATOM 727 O LEU B 13 -11.445 2.295 -4.628 1.00 0.00 O ATOM 728 CB LEU B 13 -8.612 3.540 -5.842 1.00 0.00 C ATOM 729 CG LEU B 13 -8.213 4.808 -6.666 1.00 0.00 C ATOM 730 CD1 LEU B 13 -9.365 5.811 -7.001 1.00 0.00 C ATOM 731 CD2 LEU B 13 -6.944 5.502 -6.107 1.00 0.00 C ATOM 0 H LEU B 13 -8.142 4.750 -3.650 1.00 0.00 H new ATOM 0 HA LEU B 13 -10.413 4.418 -5.192 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -7.713 3.111 -5.398 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -9.020 2.792 -6.522 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.961 4.403 -7.646 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -8.964 6.647 -7.574 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -10.131 5.303 -7.587 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -9.804 6.183 -6.075 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -6.710 6.376 -6.715 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -7.123 5.813 -5.078 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -6.106 4.806 -6.135 1.00 0.00 H new ATOM 743 N ALA B 14 -9.618 1.710 -3.392 1.00 0.00 N ATOM 744 CA ALA B 14 -10.093 0.469 -2.782 1.00 0.00 C ATOM 745 C ALA B 14 -11.444 0.642 -2.123 1.00 0.00 C ATOM 746 O ALA B 14 -12.330 -0.185 -2.361 1.00 0.00 O ATOM 747 CB ALA B 14 -9.128 -0.098 -1.727 1.00 0.00 C ATOM 0 H ALA B 14 -8.664 1.929 -3.104 1.00 0.00 H new ATOM 0 HA ALA B 14 -10.163 -0.233 -3.613 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -9.540 -1.019 -1.314 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -8.164 -0.308 -2.191 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -8.994 0.630 -0.927 1.00 0.00 H new ATOM 753 N ILE B 15 -11.637 1.740 -1.316 1.00 0.00 N ATOM 754 CA ILE B 15 -12.896 2.063 -0.681 1.00 0.00 C ATOM 755 C ILE B 15 -13.927 2.284 -1.783 1.00 0.00 C ATOM 756 O ILE B 15 -14.944 1.593 -1.791 1.00 0.00 O ATOM 757 CB ILE B 15 -13.021 3.216 0.349 1.00 0.00 C ATOM 758 CG1 ILE B 15 -11.849 3.415 1.359 1.00 0.00 C ATOM 759 CG2 ILE B 15 -14.348 2.954 1.106 1.00 0.00 C ATOM 760 CD1 ILE B 15 -11.282 4.823 1.270 1.00 0.00 C ATOM 0 H ILE B 15 -10.896 2.409 -1.108 1.00 0.00 H new ATOM 0 HA ILE B 15 -13.044 1.198 -0.034 1.00 0.00 H new ATOM 0 HB ILE B 15 -12.992 4.150 -0.212 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -12.202 3.225 2.373 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -11.062 2.689 1.155 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -14.501 3.733 1.852 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -15.178 2.961 0.399 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -14.300 1.983 1.600 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -10.467 4.933 1.985 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -10.907 5.001 0.262 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -12.065 5.546 1.499 1.00 0.00 H new ATOM 772 N GLU B 16 -13.676 3.254 -2.717 1.00 0.00 N ATOM 773 CA GLU B 16 -14.547 3.628 -3.813 1.00 0.00 C ATOM 774 C GLU B 16 -15.018 2.436 -4.694 1.00 0.00 C ATOM 775 O GLU B 16 -16.115 2.502 -5.254 1.00 0.00 O ATOM 776 CB GLU B 16 -13.879 4.757 -4.684 1.00 0.00 C ATOM 777 CG GLU B 16 -14.814 5.506 -5.666 1.00 0.00 C ATOM 778 CD GLU B 16 -14.052 6.610 -6.408 1.00 0.00 C ATOM 779 OE1 GLU B 16 -13.185 6.275 -7.261 1.00 0.00 O ATOM 780 OE2 GLU B 16 -14.338 7.808 -6.137 1.00 0.00 O ATOM 0 H GLU B 16 -12.817 3.803 -2.701 1.00 0.00 H new ATOM 0 HA GLU B 16 -15.457 4.015 -3.355 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -13.431 5.489 -4.012 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -13.066 4.312 -5.257 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -15.234 4.802 -6.384 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -15.651 5.940 -5.119 1.00 0.00 H new ATOM 787 N ARG B 17 -14.231 1.310 -4.804 1.00 0.00 N ATOM 788 CA ARG B 17 -14.576 0.065 -5.509 1.00 0.00 C ATOM 789 C ARG B 17 -15.882 -0.489 -4.907 1.00 0.00 C ATOM 790 O ARG B 17 -16.842 -0.753 -5.635 1.00 0.00 O ATOM 791 CB ARG B 17 -13.486 -1.065 -5.444 1.00 0.00 C ATOM 792 CG ARG B 17 -12.096 -0.770 -6.055 1.00 0.00 C ATOM 793 CD ARG B 17 -11.091 -1.928 -5.861 1.00 0.00 C ATOM 794 NE ARG B 17 -9.679 -1.433 -6.093 1.00 0.00 N ATOM 795 CZ ARG B 17 -8.564 -1.852 -5.404 1.00 0.00 C ATOM 796 NH1 ARG B 17 -8.606 -2.838 -4.457 1.00 0.00 N ATOM 797 NH2 ARG B 17 -7.363 -1.253 -5.669 1.00 0.00 N ATOM 0 H ARG B 17 -13.305 1.265 -4.379 1.00 0.00 H new ATOM 0 HA ARG B 17 -14.669 0.334 -6.561 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -13.341 -1.329 -4.396 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -13.889 -1.947 -5.942 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -12.209 -0.570 -7.120 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -11.691 0.135 -5.602 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -11.182 -2.334 -4.854 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -11.319 -2.738 -6.553 1.00 0.00 H new ATOM 0 HE ARG B 17 -9.543 -0.731 -6.820 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -9.490 -3.296 -4.236 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -7.753 -3.116 -3.972 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -7.306 -0.511 -6.366 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -6.524 -1.549 -5.169 1.00 0.00 H new ATOM 811 N ASP B 18 -15.913 -0.624 -3.547 1.00 0.00 N ATOM 812 CA ASP B 18 -16.987 -1.063 -2.673 1.00 0.00 C ATOM 813 C ASP B 18 -18.167 -0.081 -2.657 1.00 0.00 C ATOM 814 O ASP B 18 -19.310 -0.523 -2.799 1.00 0.00 O ATOM 815 CB ASP B 18 -16.493 -1.321 -1.205 1.00 0.00 C ATOM 816 CG ASP B 18 -15.465 -2.461 -1.131 1.00 0.00 C ATOM 817 OD1 ASP B 18 -15.848 -3.634 -1.385 1.00 0.00 O ATOM 818 OD2 ASP B 18 -14.282 -2.165 -0.809 1.00 0.00 O ATOM 0 H ASP B 18 -15.082 -0.397 -3.000 1.00 0.00 H new ATOM 0 HA ASP B 18 -17.334 -2.008 -3.091 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -16.050 -0.408 -0.807 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -17.348 -1.563 -0.573 1.00 0.00 H new ATOM 823 N THR B 19 -17.896 1.251 -2.478 1.00 0.00 N ATOM 824 CA THR B 19 -18.829 2.386 -2.410 1.00 0.00 C ATOM 825 C THR B 19 -19.948 2.290 -3.481 1.00 0.00 C ATOM 826 O THR B 19 -21.141 2.286 -3.071 1.00 0.00 O ATOM 827 CB THR B 19 -18.199 3.802 -2.437 1.00 0.00 C ATOM 828 OG1 THR B 19 -17.649 4.157 -3.693 1.00 0.00 O ATOM 829 CG2 THR B 19 -17.229 4.077 -1.265 1.00 0.00 C ATOM 830 OXT THR B 19 -19.633 2.211 -4.699 1.00 0.00 O ATOM 0 H THR B 19 -16.932 1.567 -2.370 1.00 0.00 H new ATOM 0 HA THR B 19 -19.253 2.280 -1.411 1.00 0.00 H new ATOM 0 HB THR B 19 -19.043 4.474 -2.283 1.00 0.00 H new ATOM 0 HG1 THR B 19 -17.251 3.365 -4.111 1.00 0.00 H new ATOM 0 HG21 THR B 19 -16.829 5.087 -1.353 1.00 0.00 H new ATOM 0 HG22 THR B 19 -17.763 3.979 -0.320 1.00 0.00 H new ATOM 0 HG23 THR B 19 -16.410 3.359 -1.295 1.00 0.00 H new TER 838 THR B 19