USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=22 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 75:sc= 0.535 USER MOD Set 1.2: B 7 HIS :FLIP no HE2:sc= -0.861 F(o=-3.6,f=-0.33) 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 -20:sc= 0.0123 USER MOD Single : A 6 G O2' : rot -13:sc= 0.113 USER MOD Single : A 7 C O2' : rot -111:sc= 0.789 USER MOD Single : A 8 U O2' : rot -15:sc= 0.108 USER MOD Single : A 9 G O2' : rot -15:sc= 0.0926 USER MOD Single : A 10 A O2' : rot 164:sc= -0.156 USER MOD Single : A 12 A O2' : rot -23:sc= 0.0326 USER MOD Single : A 13 A O2' : rot -25:sc= 0.0139 USER MOD Single : A 14 A O2' : rot 180:sc= 0 USER MOD Single : A 15 G O2' : rot -16:sc= 0.0503 USER MOD Single : A 16 C O2' : rot -63:sc= 0.0542 USER MOD Single : A 17 G O2' : rot -19:sc= 0.0671 USER MOD Single : A 18 C O2' : rot -14:sc= 0.0708 USER MOD Single : A 18 C O3' : rot 180:sc= 0.0771 USER MOD Single : B 1 ASN : amide:sc= -0.573 X(o=-0.57,f=-0.18) USER MOD Single : B 1 ASN N :NH3+ 166:sc= -0.0498 (180deg=-0.072) USER MOD Single : B 3 LYS NZ :NH3+ 152:sc= 0.476 (180deg=0.00479) 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 33:sc= -0.773 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 4 9.536 6.811 7.676 1.00 0.00 O ATOM 2 C5' G A 4 10.617 6.054 7.145 1.00 0.00 C ATOM 3 C4' G A 4 11.190 6.700 5.875 1.00 0.00 C ATOM 4 O4' G A 4 12.365 5.959 5.435 1.00 0.00 O ATOM 5 C3' G A 4 10.264 6.644 4.657 1.00 0.00 C ATOM 6 O3' G A 4 9.300 7.705 4.620 1.00 0.00 O ATOM 7 C2' G A 4 11.235 6.678 3.482 1.00 0.00 C ATOM 8 O2' G A 4 11.451 7.949 2.868 1.00 0.00 O ATOM 9 C1' G A 4 12.534 6.100 4.016 1.00 0.00 C ATOM 10 N9 G A 4 12.901 4.816 3.367 1.00 0.00 N ATOM 11 C8 G A 4 12.912 3.591 3.921 1.00 0.00 C ATOM 12 N7 G A 4 13.279 2.621 3.121 1.00 0.00 N ATOM 13 C5 G A 4 13.534 3.248 1.930 1.00 0.00 C ATOM 14 C6 G A 4 13.958 2.683 0.720 1.00 0.00 C ATOM 15 O6 G A 4 14.185 1.483 0.537 1.00 0.00 O ATOM 16 N1 G A 4 14.106 3.675 -0.294 1.00 0.00 N ATOM 17 C2 G A 4 13.870 5.055 -0.145 1.00 0.00 C ATOM 18 N2 G A 4 14.093 5.754 -1.293 1.00 0.00 N ATOM 19 N3 G A 4 13.460 5.557 1.052 1.00 0.00 N ATOM 20 C4 G A 4 13.311 4.622 2.034 1.00 0.00 C ATOM 0 H5' G A 4 10.277 5.043 6.918 1.00 0.00 H new ATOM 0 H5'' G A 4 11.403 5.965 7.895 1.00 0.00 H new ATOM 0 H4' G A 4 11.374 7.735 6.165 1.00 0.00 H new ATOM 0 H3' G A 4 9.631 5.756 4.658 1.00 0.00 H new ATOM 0 H2' G A 4 10.799 6.103 2.665 1.00 0.00 H new ATOM 0 HO2' G A 4 12.089 7.852 2.131 1.00 0.00 H new ATOM 0 HO5' G A 4 9.194 6.371 8.482 1.00 0.00 H new ATOM 0 H1' G A 4 13.365 6.767 3.788 1.00 0.00 H new ATOM 0 H8 G A 4 12.638 3.419 4.951 1.00 0.00 H new ATOM 0 H1 G A 4 14.411 3.355 -1.213 1.00 0.00 H new ATOM 0 H21 G A 4 13.955 6.765 -1.310 1.00 0.00 H new ATOM 0 H22 G A 4 14.398 5.267 -2.136 1.00 0.00 H new ATOM 33 P C A 5 7.892 7.568 3.883 1.00 0.00 P ATOM 34 OP1 C A 5 7.112 8.799 4.143 1.00 0.00 O ATOM 35 OP2 C A 5 7.256 6.293 4.289 1.00 0.00 O ATOM 36 O5' C A 5 8.256 7.481 2.328 1.00 0.00 O ATOM 37 C5' C A 5 8.498 8.643 1.536 1.00 0.00 C ATOM 38 C4' C A 5 8.807 8.359 0.034 1.00 0.00 C ATOM 39 O4' C A 5 10.130 7.756 -0.193 1.00 0.00 O ATOM 40 C3' C A 5 7.824 7.449 -0.712 1.00 0.00 C ATOM 41 O3' C A 5 6.628 8.139 -1.095 1.00 0.00 O ATOM 42 C2' C A 5 8.674 6.932 -1.889 1.00 0.00 C ATOM 43 O2' C A 5 8.760 7.845 -2.985 1.00 0.00 O ATOM 44 C1' C A 5 10.053 6.741 -1.233 1.00 0.00 C ATOM 45 N1 C A 5 10.293 5.362 -0.673 1.00 0.00 N ATOM 46 C2 C A 5 10.711 4.284 -1.536 1.00 0.00 C ATOM 47 O2 C A 5 10.875 4.435 -2.761 1.00 0.00 O ATOM 48 N3 C A 5 10.934 3.048 -0.963 1.00 0.00 N ATOM 49 C4 C A 5 10.773 2.832 0.372 1.00 0.00 C ATOM 50 N4 C A 5 10.977 1.603 0.927 1.00 0.00 N ATOM 51 C5 C A 5 10.359 3.920 1.224 1.00 0.00 C ATOM 52 C6 C A 5 10.137 5.113 0.667 1.00 0.00 C ATOM 0 H5' C A 5 9.336 9.191 1.967 1.00 0.00 H new ATOM 0 H5'' C A 5 7.626 9.294 1.596 1.00 0.00 H new ATOM 0 H4' C A 5 8.733 9.371 -0.363 1.00 0.00 H new ATOM 0 H3' C A 5 7.428 6.631 -0.110 1.00 0.00 H new ATOM 0 H2' C A 5 8.247 6.034 -2.336 1.00 0.00 H new ATOM 0 HO2' C A 5 8.023 8.489 -2.933 1.00 0.00 H new ATOM 0 H1' C A 5 10.834 6.847 -1.986 1.00 0.00 H new ATOM 0 H41 C A 5 10.849 1.469 1.930 1.00 0.00 H new ATOM 0 H42 C A 5 11.257 0.818 0.339 1.00 0.00 H new ATOM 0 H5 C A 5 10.232 3.773 2.286 1.00 0.00 H new ATOM 0 H6 C A 5 9.818 5.924 1.305 1.00 0.00 H new ATOM 64 P G A 6 5.294 7.365 -1.499 1.00 0.00 P ATOM 65 OP1 G A 6 4.195 8.348 -1.629 1.00 0.00 O ATOM 66 OP2 G A 6 5.067 6.231 -0.570 1.00 0.00 O ATOM 67 O5' G A 6 5.658 6.856 -2.957 1.00 0.00 O ATOM 68 C5' G A 6 5.432 5.521 -3.376 1.00 0.00 C ATOM 69 C4' G A 6 6.231 5.228 -4.661 1.00 0.00 C ATOM 70 O4' G A 6 7.593 4.827 -4.312 1.00 0.00 O ATOM 71 C3' G A 6 5.654 4.057 -5.457 1.00 0.00 C ATOM 72 O3' G A 6 4.862 4.559 -6.539 1.00 0.00 O ATOM 73 C2' G A 6 6.871 3.253 -5.939 1.00 0.00 C ATOM 74 O2' G A 6 7.375 3.666 -7.211 1.00 0.00 O ATOM 75 C1' G A 6 7.900 3.534 -4.836 1.00 0.00 C ATOM 76 N9 G A 6 8.079 2.539 -3.735 1.00 0.00 N ATOM 77 C8 G A 6 7.906 2.703 -2.393 1.00 0.00 C ATOM 78 N7 G A 6 8.188 1.653 -1.664 1.00 0.00 N ATOM 79 C5 G A 6 8.579 0.710 -2.571 1.00 0.00 C ATOM 80 C6 G A 6 8.992 -0.603 -2.325 1.00 0.00 C ATOM 81 O6 G A 6 9.081 -1.128 -1.210 1.00 0.00 O ATOM 82 N1 G A 6 9.314 -1.276 -3.537 1.00 0.00 N ATOM 83 C2 G A 6 9.244 -0.733 -4.834 1.00 0.00 C ATOM 84 N2 G A 6 9.604 -1.619 -5.803 1.00 0.00 N ATOM 85 N3 G A 6 8.840 0.549 -5.023 1.00 0.00 N ATOM 86 C4 G A 6 8.526 1.211 -3.875 1.00 0.00 C ATOM 0 H5' G A 6 4.369 5.363 -3.555 1.00 0.00 H new ATOM 0 H5'' G A 6 5.729 4.829 -2.588 1.00 0.00 H new ATOM 0 H4' G A 6 6.193 6.142 -5.254 1.00 0.00 H new ATOM 0 H3' G A 6 4.993 3.421 -4.868 1.00 0.00 H new ATOM 0 H2' G A 6 6.627 2.201 -6.090 1.00 0.00 H new ATOM 0 HO2' G A 6 6.722 4.253 -7.646 1.00 0.00 H new ATOM 0 H1' G A 6 8.872 3.462 -5.324 1.00 0.00 H new ATOM 0 H8 G A 6 7.561 3.632 -1.962 1.00 0.00 H new ATOM 0 H1 G A 6 9.625 -2.244 -3.458 1.00 0.00 H new ATOM 0 H21 G A 6 9.592 -1.336 -6.783 1.00 0.00 H new ATOM 0 H22 G A 6 9.886 -2.566 -5.549 1.00 0.00 H new ATOM 98 P C A 7 3.467 3.957 -6.963 1.00 0.00 P ATOM 99 OP1 C A 7 3.033 4.607 -8.222 1.00 0.00 O ATOM 100 OP2 C A 7 2.533 4.027 -5.818 1.00 0.00 O ATOM 101 O5' C A 7 3.818 2.450 -7.221 1.00 0.00 O ATOM 102 C5' C A 7 4.312 1.873 -8.418 1.00 0.00 C ATOM 103 C4' C A 7 4.542 0.346 -8.254 1.00 0.00 C ATOM 104 O4' C A 7 5.743 0.062 -7.444 1.00 0.00 O ATOM 105 C3' C A 7 3.440 -0.359 -7.456 1.00 0.00 C ATOM 106 O3' C A 7 2.136 -0.484 -8.014 1.00 0.00 O ATOM 107 C2' C A 7 4.105 -1.593 -6.881 1.00 0.00 C ATOM 108 O2' C A 7 4.088 -2.750 -7.706 1.00 0.00 O ATOM 109 C1' C A 7 5.563 -1.168 -6.691 1.00 0.00 C ATOM 110 N1 C A 7 5.770 -1.054 -5.222 1.00 0.00 N ATOM 111 C2 C A 7 6.140 -2.233 -4.469 1.00 0.00 C ATOM 112 O2 C A 7 6.382 -3.326 -5.017 1.00 0.00 O ATOM 113 N3 C A 7 6.222 -2.127 -3.100 1.00 0.00 N ATOM 114 C4 C A 7 5.965 -0.954 -2.460 1.00 0.00 C ATOM 115 N4 C A 7 6.025 -0.879 -1.098 1.00 0.00 N ATOM 116 C5 C A 7 5.606 0.211 -3.242 1.00 0.00 C ATOM 117 C6 C A 7 5.526 0.116 -4.557 1.00 0.00 C ATOM 0 H5' C A 7 5.248 2.356 -8.698 1.00 0.00 H new ATOM 0 H5'' C A 7 3.606 2.052 -9.229 1.00 0.00 H new ATOM 0 H4' C A 7 4.599 -0.007 -9.284 1.00 0.00 H new ATOM 0 H3' C A 7 3.080 0.298 -6.664 1.00 0.00 H new ATOM 0 H2' C A 7 3.566 -1.892 -5.982 1.00 0.00 H new ATOM 0 HO2' C A 7 3.498 -3.425 -7.311 1.00 0.00 H new ATOM 0 H1' C A 7 6.311 -1.867 -7.065 1.00 0.00 H new ATOM 0 H41 C A 7 5.831 0.005 -0.627 1.00 0.00 H new ATOM 0 H42 C A 7 6.264 -1.707 -0.552 1.00 0.00 H new ATOM 0 H5 C A 7 5.405 1.152 -2.753 1.00 0.00 H new ATOM 0 H6 C A 7 5.258 0.993 -5.127 1.00 0.00 H new ATOM 129 P U A 8 1.550 -1.239 -9.267 1.00 0.00 P ATOM 130 OP1 U A 8 2.470 -1.062 -10.414 1.00 0.00 O ATOM 131 OP2 U A 8 0.152 -0.791 -9.465 1.00 0.00 O ATOM 132 O5' U A 8 1.554 -2.776 -8.863 1.00 0.00 O ATOM 133 C5' U A 8 0.786 -3.298 -7.790 1.00 0.00 C ATOM 134 C4' U A 8 1.123 -4.790 -7.549 1.00 0.00 C ATOM 135 O4' U A 8 2.457 -4.996 -6.984 1.00 0.00 O ATOM 136 C3' U A 8 0.162 -5.478 -6.587 1.00 0.00 C ATOM 137 O3' U A 8 -0.892 -6.104 -7.321 1.00 0.00 O ATOM 138 C2' U A 8 1.025 -6.500 -5.833 1.00 0.00 C ATOM 139 O2' U A 8 1.116 -7.779 -6.467 1.00 0.00 O ATOM 140 C1' U A 8 2.406 -5.838 -5.818 1.00 0.00 C ATOM 141 N1 U A 8 2.791 -5.111 -4.560 1.00 0.00 N ATOM 142 C2 U A 8 3.102 -5.892 -3.391 1.00 0.00 C ATOM 143 O2 U A 8 3.074 -7.129 -3.330 1.00 0.00 O ATOM 144 N3 U A 8 3.463 -5.128 -2.258 1.00 0.00 N ATOM 145 C4 U A 8 3.540 -3.711 -2.177 1.00 0.00 C ATOM 146 O4 U A 8 3.870 -3.144 -1.132 1.00 0.00 O ATOM 147 C5 U A 8 3.205 -3.021 -3.412 1.00 0.00 C ATOM 148 C6 U A 8 2.859 -3.726 -4.509 1.00 0.00 C ATOM 0 H5' U A 8 -0.276 -3.191 -8.011 1.00 0.00 H new ATOM 0 H5'' U A 8 0.982 -2.725 -6.884 1.00 0.00 H new ATOM 0 H4' U A 8 1.050 -5.220 -8.548 1.00 0.00 H new ATOM 0 H3' U A 8 -0.320 -4.787 -5.895 1.00 0.00 H new ATOM 0 H2' U A 8 0.598 -6.716 -4.854 1.00 0.00 H new ATOM 0 HO2' U A 8 0.419 -7.855 -7.152 1.00 0.00 H new ATOM 0 H1' U A 8 3.160 -6.625 -5.839 1.00 0.00 H new ATOM 0 H3 U A 8 3.692 -5.647 -1.411 1.00 0.00 H new ATOM 0 H5 U A 8 3.233 -1.942 -3.451 1.00 0.00 H new ATOM 0 H6 U A 8 2.619 -3.176 -5.407 1.00 0.00 H new ATOM 159 P G A 9 -2.415 -6.084 -6.911 1.00 0.00 P ATOM 160 OP1 G A 9 -3.161 -6.985 -7.822 1.00 0.00 O ATOM 161 OP2 G A 9 -2.875 -4.682 -6.848 1.00 0.00 O ATOM 162 O5' G A 9 -2.404 -6.683 -5.445 1.00 0.00 O ATOM 163 C5' G A 9 -2.249 -8.073 -5.173 1.00 0.00 C ATOM 164 C4' G A 9 -2.168 -8.372 -3.652 1.00 0.00 C ATOM 165 O4' G A 9 -0.902 -7.917 -3.073 1.00 0.00 O ATOM 166 C3' G A 9 -3.263 -7.689 -2.826 1.00 0.00 C ATOM 167 O3' G A 9 -4.419 -8.521 -2.794 1.00 0.00 O ATOM 168 C2' G A 9 -2.618 -7.441 -1.457 1.00 0.00 C ATOM 169 O2' G A 9 -2.817 -8.522 -0.545 1.00 0.00 O ATOM 170 C1' G A 9 -1.112 -7.287 -1.797 1.00 0.00 C ATOM 171 N9 G A 9 -0.574 -5.884 -1.863 1.00 0.00 N ATOM 172 C8 G A 9 -0.473 -5.054 -2.945 1.00 0.00 C ATOM 173 N7 G A 9 0.019 -3.870 -2.698 1.00 0.00 N ATOM 174 C5 G A 9 0.277 -3.885 -1.361 1.00 0.00 C ATOM 175 C6 G A 9 0.816 -2.860 -0.580 1.00 0.00 C ATOM 176 O6 G A 9 1.141 -1.750 -1.006 1.00 0.00 O ATOM 177 N1 G A 9 0.940 -3.252 0.778 1.00 0.00 N ATOM 178 C2 G A 9 0.579 -4.502 1.308 1.00 0.00 C ATOM 179 N2 G A 9 0.828 -4.598 2.637 1.00 0.00 N ATOM 180 N3 G A 9 0.055 -5.476 0.515 1.00 0.00 N ATOM 181 C4 G A 9 -0.071 -5.117 -0.792 1.00 0.00 C ATOM 0 H5' G A 9 -1.345 -8.437 -5.661 1.00 0.00 H new ATOM 0 H5'' G A 9 -3.087 -8.621 -5.604 1.00 0.00 H new ATOM 0 H4' G A 9 -2.279 -9.455 -3.600 1.00 0.00 H new ATOM 0 H3' G A 9 -3.616 -6.743 -3.236 1.00 0.00 H new ATOM 0 H2' G A 9 -3.052 -6.575 -0.957 1.00 0.00 H new ATOM 0 HO2' G A 9 -3.523 -9.111 -0.885 1.00 0.00 H new ATOM 0 H1' G A 9 -0.570 -7.746 -0.970 1.00 0.00 H new ATOM 0 H8 G A 9 -0.779 -5.357 -3.935 1.00 0.00 H new ATOM 0 H1 G A 9 1.325 -2.566 1.427 1.00 0.00 H new ATOM 0 H21 G A 9 0.608 -5.460 3.136 1.00 0.00 H new ATOM 0 H22 G A 9 1.236 -3.808 3.138 1.00 0.00 H new ATOM 193 P A A 10 -5.823 -8.196 -3.456 1.00 0.00 P ATOM 194 OP1 A A 10 -6.516 -9.475 -3.730 1.00 0.00 O ATOM 195 OP2 A A 10 -5.644 -7.279 -4.606 1.00 0.00 O ATOM 196 O5' A A 10 -6.601 -7.414 -2.316 1.00 0.00 O ATOM 197 C5' A A 10 -6.822 -7.999 -1.033 1.00 0.00 C ATOM 198 C4' A A 10 -6.968 -6.910 0.048 1.00 0.00 C ATOM 199 O4' A A 10 -7.036 -7.550 1.354 1.00 0.00 O ATOM 200 C3' A A 10 -5.800 -5.904 0.114 1.00 0.00 C ATOM 201 O3' A A 10 -6.276 -4.566 -0.065 1.00 0.00 O ATOM 202 C2' A A 10 -5.102 -6.160 1.462 1.00 0.00 C ATOM 203 O2' A A 10 -4.699 -4.985 2.161 1.00 0.00 O ATOM 204 C1' A A 10 -6.107 -6.982 2.275 1.00 0.00 C ATOM 205 N9 A A 10 -5.513 -8.131 3.004 1.00 0.00 N ATOM 206 C8 A A 10 -4.755 -9.169 2.537 1.00 0.00 C ATOM 207 N7 A A 10 -4.407 -10.038 3.458 1.00 0.00 N ATOM 208 C5 A A 10 -4.963 -9.550 4.614 1.00 0.00 C ATOM 209 C6 A A 10 -4.928 -10.057 5.932 1.00 0.00 C ATOM 210 N6 A A 10 -4.250 -11.216 6.197 1.00 0.00 N ATOM 211 N1 A A 10 -5.607 -9.298 6.861 1.00 0.00 N ATOM 212 C2 A A 10 -6.230 -8.178 6.476 1.00 0.00 C ATOM 213 N3 A A 10 -6.319 -7.629 5.279 1.00 0.00 N ATOM 214 C4 A A 10 -5.653 -8.372 4.370 1.00 0.00 C ATOM 0 H5' A A 10 -5.991 -8.658 -0.781 1.00 0.00 H new ATOM 0 H5'' A A 10 -7.721 -8.615 -1.059 1.00 0.00 H new ATOM 0 H4' A A 10 -7.869 -6.357 -0.219 1.00 0.00 H new ATOM 0 H3' A A 10 -5.077 -6.036 -0.691 1.00 0.00 H new ATOM 0 H2' A A 10 -4.158 -6.679 1.296 1.00 0.00 H new ATOM 0 HO2' A A 10 -4.506 -5.210 3.095 1.00 0.00 H new ATOM 0 H1' A A 10 -6.540 -6.302 3.009 1.00 0.00 H new ATOM 0 H8 A A 10 -4.467 -9.266 1.500 1.00 0.00 H new ATOM 0 H61 A A 10 -4.223 -11.585 7.148 1.00 0.00 H new ATOM 0 H62 A A 10 -3.772 -11.711 5.444 1.00 0.00 H new ATOM 0 H2 A A 10 -6.737 -7.642 7.265 1.00 0.00 H new ATOM 226 P C A 11 -6.237 -3.860 -1.495 1.00 0.00 P ATOM 227 OP1 C A 11 -7.405 -4.320 -2.281 1.00 0.00 O ATOM 228 OP2 C A 11 -4.900 -4.040 -2.118 1.00 0.00 O ATOM 229 O5' C A 11 -6.478 -2.340 -1.109 1.00 0.00 O ATOM 230 C5' C A 11 -5.446 -1.364 -0.985 1.00 0.00 C ATOM 231 C4' C A 11 -5.326 -0.741 0.423 1.00 0.00 C ATOM 232 O4' C A 11 -6.581 -0.177 0.866 1.00 0.00 O ATOM 233 C3' C A 11 -4.974 -1.764 1.492 1.00 0.00 C ATOM 234 O3' C A 11 -3.685 -1.461 1.994 1.00 0.00 O ATOM 235 C2' C A 11 -6.098 -1.718 2.532 1.00 0.00 C ATOM 236 O2' C A 11 -5.697 -1.948 3.879 1.00 0.00 O ATOM 237 C1' C A 11 -6.732 -0.351 2.280 1.00 0.00 C ATOM 238 N1 C A 11 -8.188 -0.355 2.644 1.00 0.00 N ATOM 239 C2 C A 11 -8.612 -0.028 3.990 1.00 0.00 C ATOM 240 O2 C A 11 -7.801 0.279 4.889 1.00 0.00 O ATOM 241 N3 C A 11 -9.966 -0.069 4.268 1.00 0.00 N ATOM 242 C4 C A 11 -10.883 -0.402 3.315 1.00 0.00 C ATOM 243 N4 C A 11 -12.220 -0.455 3.586 1.00 0.00 N ATOM 244 C5 C A 11 -10.439 -0.721 1.976 1.00 0.00 C ATOM 245 C6 C A 11 -9.143 -0.688 1.703 1.00 0.00 C ATOM 0 H5' C A 11 -5.626 -0.568 -1.708 1.00 0.00 H new ATOM 0 H5'' C A 11 -4.494 -1.824 -1.248 1.00 0.00 H new ATOM 0 H4' C A 11 -4.543 0.010 0.316 1.00 0.00 H new ATOM 0 H3' C A 11 -4.913 -2.788 1.123 1.00 0.00 H new ATOM 0 H2' C A 11 -6.801 -2.542 2.412 1.00 0.00 H new ATOM 0 HO2' C A 11 -5.240 -1.153 4.225 1.00 0.00 H new ATOM 0 H1' C A 11 -6.273 0.441 2.872 1.00 0.00 H new ATOM 0 H41 C A 11 -12.880 -0.708 2.850 1.00 0.00 H new ATOM 0 H42 C A 11 -12.559 -0.242 4.524 1.00 0.00 H new ATOM 0 H5 C A 11 -11.154 -0.982 1.210 1.00 0.00 H new ATOM 0 H6 C A 11 -8.819 -0.932 0.702 1.00 0.00 H new ATOM 257 P A A 12 -2.338 -2.240 1.730 1.00 0.00 P ATOM 258 OP1 A A 12 -1.227 -1.260 1.787 1.00 0.00 O ATOM 259 OP2 A A 12 -2.453 -3.041 0.488 1.00 0.00 O ATOM 260 O5' A A 12 -2.230 -3.229 2.971 1.00 0.00 O ATOM 261 C5' A A 12 -2.263 -2.712 4.304 1.00 0.00 C ATOM 262 C4' A A 12 -2.306 -3.811 5.391 1.00 0.00 C ATOM 263 O4' A A 12 -3.076 -4.986 4.958 1.00 0.00 O ATOM 264 C3' A A 12 -0.941 -4.384 5.774 1.00 0.00 C ATOM 265 O3' A A 12 -0.219 -3.532 6.669 1.00 0.00 O ATOM 266 C2' A A 12 -1.311 -5.736 6.385 1.00 0.00 C ATOM 267 O2' A A 12 -1.730 -5.664 7.749 1.00 0.00 O ATOM 268 C1' A A 12 -2.470 -6.184 5.474 1.00 0.00 C ATOM 269 N9 A A 12 -2.097 -7.136 4.372 1.00 0.00 N ATOM 270 C8 A A 12 -2.077 -6.954 3.012 1.00 0.00 C ATOM 271 N7 A A 12 -1.743 -8.011 2.319 1.00 0.00 N ATOM 272 C5 A A 12 -1.517 -8.979 3.257 1.00 0.00 C ATOM 273 C6 A A 12 -1.133 -10.324 3.083 1.00 0.00 C ATOM 274 N6 A A 12 -0.970 -10.815 1.815 1.00 0.00 N ATOM 275 N1 A A 12 -0.983 -11.037 4.246 1.00 0.00 N ATOM 276 C2 A A 12 -1.201 -10.446 5.426 1.00 0.00 C ATOM 277 N3 A A 12 -1.571 -9.192 5.691 1.00 0.00 N ATOM 278 C4 A A 12 -1.717 -8.487 4.541 1.00 0.00 C ATOM 0 H5' A A 12 -3.136 -2.069 4.414 1.00 0.00 H new ATOM 0 H5'' A A 12 -1.384 -2.087 4.465 1.00 0.00 H new ATOM 0 H4' A A 12 -2.754 -3.287 6.235 1.00 0.00 H new ATOM 0 H3' A A 12 -0.256 -4.477 4.932 1.00 0.00 H new ATOM 0 H2' A A 12 -0.461 -6.417 6.423 1.00 0.00 H new ATOM 0 HO2' A A 12 -1.370 -4.850 8.159 1.00 0.00 H new ATOM 0 H1' A A 12 -3.164 -6.772 6.074 1.00 0.00 H new ATOM 0 H8 A A 12 -2.319 -6.009 2.549 1.00 0.00 H new ATOM 0 H61 A A 12 -0.692 -11.787 1.676 1.00 0.00 H new ATOM 0 H62 A A 12 -1.126 -10.209 1.010 1.00 0.00 H new ATOM 0 H2 A A 12 -1.056 -11.076 6.291 1.00 0.00 H new ATOM 290 P A A 13 1.326 -3.198 6.471 1.00 0.00 P ATOM 291 OP1 A A 13 1.704 -2.137 7.435 1.00 0.00 O ATOM 292 OP2 A A 13 1.586 -2.910 5.042 1.00 0.00 O ATOM 293 O5' A A 13 2.056 -4.561 6.853 1.00 0.00 O ATOM 294 C5' A A 13 2.109 -5.016 8.206 1.00 0.00 C ATOM 295 C4' A A 13 2.400 -6.533 8.329 1.00 0.00 C ATOM 296 O4' A A 13 1.365 -7.336 7.659 1.00 0.00 O ATOM 297 C3' A A 13 3.702 -7.014 7.684 1.00 0.00 C ATOM 298 O3' A A 13 4.867 -6.785 8.478 1.00 0.00 O ATOM 299 C2' A A 13 3.417 -8.504 7.460 1.00 0.00 C ATOM 300 O2' A A 13 3.557 -9.312 8.630 1.00 0.00 O ATOM 301 C1' A A 13 1.959 -8.463 6.980 1.00 0.00 C ATOM 302 N9 A A 13 1.807 -8.355 5.486 1.00 0.00 N ATOM 303 C8 A A 13 1.438 -7.278 4.736 1.00 0.00 C ATOM 304 N7 A A 13 1.392 -7.485 3.449 1.00 0.00 N ATOM 305 C5 A A 13 1.755 -8.787 3.298 1.00 0.00 C ATOM 306 C6 A A 13 1.882 -9.549 2.121 1.00 0.00 C ATOM 307 N6 A A 13 1.609 -8.971 0.907 1.00 0.00 N ATOM 308 N1 A A 13 2.274 -10.850 2.318 1.00 0.00 N ATOM 309 C2 A A 13 2.503 -11.300 3.556 1.00 0.00 C ATOM 310 N3 A A 13 2.411 -10.661 4.725 1.00 0.00 N ATOM 311 C4 A A 13 2.025 -9.375 4.529 1.00 0.00 C ATOM 0 H5' A A 13 1.160 -4.794 8.695 1.00 0.00 H new ATOM 0 H5'' A A 13 2.880 -4.460 8.739 1.00 0.00 H new ATOM 0 H4' A A 13 2.446 -6.667 9.410 1.00 0.00 H new ATOM 0 H3' A A 13 3.944 -6.469 6.772 1.00 0.00 H new ATOM 0 H2' A A 13 4.123 -8.963 6.768 1.00 0.00 H new ATOM 0 HO2' A A 13 4.171 -8.876 9.257 1.00 0.00 H new ATOM 0 H1' A A 13 1.461 -9.403 7.218 1.00 0.00 H new ATOM 0 H8 A A 13 1.201 -6.321 5.176 1.00 0.00 H new ATOM 0 H61 A A 13 1.699 -9.517 0.050 1.00 0.00 H new ATOM 0 H62 A A 13 1.316 -7.995 0.861 1.00 0.00 H new ATOM 0 H2 A A 13 2.808 -12.334 3.620 1.00 0.00 H new ATOM 323 P A A 14 6.218 -6.226 7.833 1.00 0.00 P ATOM 324 OP1 A A 14 7.239 -6.126 8.902 1.00 0.00 O ATOM 325 OP2 A A 14 5.919 -4.980 7.087 1.00 0.00 O ATOM 326 O5' A A 14 6.653 -7.343 6.783 1.00 0.00 O ATOM 327 C5' A A 14 7.103 -8.629 7.189 1.00 0.00 C ATOM 328 C4' A A 14 7.128 -9.684 6.051 1.00 0.00 C ATOM 329 O4' A A 14 5.789 -9.919 5.491 1.00 0.00 O ATOM 330 C3' A A 14 7.988 -9.325 4.838 1.00 0.00 C ATOM 331 O3' A A 14 9.365 -9.646 5.031 1.00 0.00 O ATOM 332 C2' A A 14 7.309 -10.116 3.709 1.00 0.00 C ATOM 333 O2' A A 14 7.674 -11.494 3.634 1.00 0.00 O ATOM 334 C1' A A 14 5.827 -9.949 4.052 1.00 0.00 C ATOM 335 N9 A A 14 5.234 -8.694 3.462 1.00 0.00 N ATOM 336 C8 A A 14 4.848 -7.558 4.106 1.00 0.00 C ATOM 337 N7 A A 14 4.386 -6.606 3.346 1.00 0.00 N ATOM 338 C5 A A 14 4.458 -7.124 2.085 1.00 0.00 C ATOM 339 C6 A A 14 4.093 -6.541 0.862 1.00 0.00 C ATOM 340 N6 A A 14 3.583 -5.275 0.857 1.00 0.00 N ATOM 341 N1 A A 14 4.290 -7.327 -0.242 1.00 0.00 N ATOM 342 C2 A A 14 4.795 -8.559 -0.101 1.00 0.00 C ATOM 343 N3 A A 14 5.172 -9.202 1.009 1.00 0.00 N ATOM 344 C4 A A 14 4.974 -8.415 2.099 1.00 0.00 C ATOM 0 H5' A A 14 6.458 -8.991 7.990 1.00 0.00 H new ATOM 0 H5'' A A 14 8.106 -8.536 7.605 1.00 0.00 H new ATOM 0 H4' A A 14 7.548 -10.553 6.558 1.00 0.00 H new ATOM 0 H3' A A 14 8.031 -8.257 4.626 1.00 0.00 H new ATOM 0 H2' A A 14 7.603 -9.746 2.727 1.00 0.00 H new ATOM 0 HO2' A A 14 7.196 -11.919 2.891 1.00 0.00 H new ATOM 0 H1' A A 14 5.229 -10.759 3.634 1.00 0.00 H new ATOM 0 H8 A A 14 4.920 -7.453 5.178 1.00 0.00 H new ATOM 0 H61 A A 14 3.313 -4.837 -0.024 1.00 0.00 H new ATOM 0 H62 A A 14 3.472 -4.767 1.734 1.00 0.00 H new ATOM 0 H2 A A 14 4.916 -9.115 -1.019 1.00 0.00 H new ATOM 356 P G A 15 10.540 -8.783 4.381 1.00 0.00 P ATOM 357 OP1 G A 15 11.831 -9.277 4.917 1.00 0.00 O ATOM 358 OP2 G A 15 10.258 -7.340 4.567 1.00 0.00 O ATOM 359 O5' G A 15 10.452 -9.113 2.824 1.00 0.00 O ATOM 360 C5' G A 15 10.663 -10.443 2.358 1.00 0.00 C ATOM 361 C4' G A 15 10.098 -10.690 0.940 1.00 0.00 C ATOM 362 O4' G A 15 8.702 -10.295 0.786 1.00 0.00 O ATOM 363 C3' G A 15 10.846 -9.997 -0.192 1.00 0.00 C ATOM 364 O3' G A 15 11.964 -10.785 -0.606 1.00 0.00 O ATOM 365 C2' G A 15 9.776 -9.838 -1.276 1.00 0.00 C ATOM 366 O2' G A 15 9.615 -10.988 -2.110 1.00 0.00 O ATOM 367 C1' G A 15 8.510 -9.589 -0.448 1.00 0.00 C ATOM 368 N9 G A 15 8.124 -8.165 -0.179 1.00 0.00 N ATOM 369 C8 G A 15 8.099 -7.504 1.011 1.00 0.00 C ATOM 370 N7 G A 15 7.705 -6.256 0.948 1.00 0.00 N ATOM 371 C5 G A 15 7.441 -6.048 -0.380 1.00 0.00 C ATOM 372 C6 G A 15 6.984 -4.875 -1.011 1.00 0.00 C ATOM 373 O6 G A 15 6.743 -3.799 -0.450 1.00 0.00 O ATOM 374 N1 G A 15 6.833 -5.073 -2.415 1.00 0.00 N ATOM 375 C2 G A 15 7.095 -6.265 -3.119 1.00 0.00 C ATOM 376 N2 G A 15 6.863 -6.153 -4.455 1.00 0.00 N ATOM 377 N3 G A 15 7.534 -7.373 -2.465 1.00 0.00 N ATOM 378 C4 G A 15 7.687 -7.211 -1.123 1.00 0.00 C ATOM 0 H5' G A 15 10.199 -11.142 3.054 1.00 0.00 H new ATOM 0 H5'' G A 15 11.732 -10.655 2.358 1.00 0.00 H new ATOM 0 H4' G A 15 10.221 -11.770 0.856 1.00 0.00 H new ATOM 0 H3' G A 15 11.280 -9.035 0.079 1.00 0.00 H new ATOM 0 H2' G A 15 10.030 -9.047 -1.981 1.00 0.00 H new ATOM 0 HO2' G A 15 10.387 -11.582 -2.000 1.00 0.00 H new ATOM 0 H1' G A 15 7.670 -9.942 -1.046 1.00 0.00 H new ATOM 0 H8 G A 15 8.384 -7.975 1.940 1.00 0.00 H new ATOM 0 H1 G A 15 6.504 -4.277 -2.961 1.00 0.00 H new ATOM 0 H21 G A 15 7.018 -6.953 -5.068 1.00 0.00 H new ATOM 0 H22 G A 15 6.534 -5.269 -4.843 1.00 0.00 H new ATOM 390 P C A 16 13.385 -10.162 -0.925 1.00 0.00 P ATOM 391 OP1 C A 16 14.328 -11.266 -1.226 1.00 0.00 O ATOM 392 OP2 C A 16 13.775 -9.234 0.160 1.00 0.00 O ATOM 393 O5' C A 16 13.113 -9.316 -2.235 1.00 0.00 O ATOM 394 C5' C A 16 12.858 -9.918 -3.502 1.00 0.00 C ATOM 395 C4' C A 16 12.411 -8.882 -4.562 1.00 0.00 C ATOM 396 O4' C A 16 11.093 -8.314 -4.244 1.00 0.00 O ATOM 397 C3' C A 16 13.335 -7.667 -4.673 1.00 0.00 C ATOM 398 O3' C A 16 14.489 -7.952 -5.471 1.00 0.00 O ATOM 399 C2' C A 16 12.411 -6.571 -5.206 1.00 0.00 C ATOM 400 O2' C A 16 12.265 -6.557 -6.626 1.00 0.00 O ATOM 401 C1' C A 16 11.077 -6.893 -4.501 1.00 0.00 C ATOM 402 N1 C A 16 10.795 -6.086 -3.250 1.00 0.00 N ATOM 403 C2 C A 16 10.351 -4.720 -3.416 1.00 0.00 C ATOM 404 O2 C A 16 10.185 -4.201 -4.537 1.00 0.00 O ATOM 405 N3 C A 16 10.104 -3.976 -2.284 1.00 0.00 N ATOM 406 C4 C A 16 10.265 -4.481 -1.036 1.00 0.00 C ATOM 407 N4 C A 16 10.015 -3.722 0.070 1.00 0.00 N ATOM 408 C5 C A 16 10.706 -5.842 -0.863 1.00 0.00 C ATOM 409 C6 C A 16 10.950 -6.582 -1.955 1.00 0.00 C ATOM 0 H5' C A 16 12.086 -10.679 -3.392 1.00 0.00 H new ATOM 0 H5'' C A 16 13.758 -10.425 -3.849 1.00 0.00 H new ATOM 0 H4' C A 16 12.416 -9.454 -5.490 1.00 0.00 H new ATOM 0 H3' C A 16 13.789 -7.355 -3.732 1.00 0.00 H new ATOM 0 H2' C A 16 12.805 -5.576 -5.000 1.00 0.00 H new ATOM 0 HO2' C A 16 13.134 -6.377 -7.042 1.00 0.00 H new ATOM 0 H1' C A 16 10.254 -6.603 -5.154 1.00 0.00 H new ATOM 0 H41 C A 16 10.142 -4.120 1.001 1.00 0.00 H new ATOM 0 H42 C A 16 9.701 -2.757 -0.034 1.00 0.00 H new ATOM 0 H5 C A 16 10.837 -6.258 0.125 1.00 0.00 H new ATOM 0 H6 C A 16 11.280 -7.602 -1.827 1.00 0.00 H new ATOM 421 P G A 17 15.770 -7.012 -5.494 1.00 0.00 P ATOM 422 OP1 G A 17 16.899 -7.777 -6.071 1.00 0.00 O ATOM 423 OP2 G A 17 15.982 -6.407 -4.154 1.00 0.00 O ATOM 424 O5' G A 17 15.309 -5.919 -6.551 1.00 0.00 O ATOM 425 C5' G A 17 15.810 -4.594 -6.509 1.00 0.00 C ATOM 426 C4' G A 17 15.036 -3.690 -7.490 1.00 0.00 C ATOM 427 O4' G A 17 13.616 -3.586 -7.109 1.00 0.00 O ATOM 428 C3' G A 17 15.558 -2.247 -7.481 1.00 0.00 C ATOM 429 O3' G A 17 16.544 -2.049 -8.497 1.00 0.00 O ATOM 430 C2' G A 17 14.304 -1.391 -7.688 1.00 0.00 C ATOM 431 O2' G A 17 13.937 -1.241 -9.062 1.00 0.00 O ATOM 432 C1' G A 17 13.243 -2.210 -6.927 1.00 0.00 C ATOM 433 N9 G A 17 12.993 -1.920 -5.470 1.00 0.00 N ATOM 434 C8 G A 17 13.069 -2.771 -4.398 1.00 0.00 C ATOM 435 N7 G A 17 12.780 -2.236 -3.243 1.00 0.00 N ATOM 436 C5 G A 17 12.483 -0.938 -3.532 1.00 0.00 C ATOM 437 C6 G A 17 12.103 0.075 -2.644 1.00 0.00 C ATOM 438 O6 G A 17 11.977 -0.058 -1.422 1.00 0.00 O ATOM 439 N1 G A 17 11.876 1.300 -3.324 1.00 0.00 N ATOM 440 C2 G A 17 12.003 1.518 -4.711 1.00 0.00 C ATOM 441 N2 G A 17 11.719 2.798 -5.078 1.00 0.00 N ATOM 442 N3 G A 17 12.374 0.500 -5.537 1.00 0.00 N ATOM 443 C4 G A 17 12.598 -0.685 -4.904 1.00 0.00 C ATOM 0 H5' G A 17 16.870 -4.592 -6.763 1.00 0.00 H new ATOM 0 H5'' G A 17 15.724 -4.199 -5.497 1.00 0.00 H new ATOM 0 H4' G A 17 15.168 -4.152 -8.469 1.00 0.00 H new ATOM 0 H3' G A 17 16.068 -1.982 -6.555 1.00 0.00 H new ATOM 0 H2' G A 17 14.436 -0.366 -7.342 1.00 0.00 H new ATOM 0 HO2' G A 17 14.705 -1.457 -9.631 1.00 0.00 H new ATOM 0 H1' G A 17 12.282 -1.923 -7.353 1.00 0.00 H new ATOM 0 H8 G A 17 13.348 -3.809 -4.502 1.00 0.00 H new ATOM 0 H1 G A 17 11.594 2.098 -2.755 1.00 0.00 H new ATOM 0 H21 G A 17 11.778 3.072 -6.059 1.00 0.00 H new ATOM 0 H22 G A 17 11.448 3.483 -4.372 1.00 0.00 H new ATOM 455 P C A 18 17.923 -1.310 -8.231 1.00 0.00 P ATOM 456 OP1 C A 18 18.727 -1.351 -9.475 1.00 0.00 O ATOM 457 OP2 C A 18 18.555 -1.874 -7.015 1.00 0.00 O ATOM 458 O5' C A 18 17.487 0.182 -7.921 1.00 0.00 O ATOM 459 C5' C A 18 16.976 1.060 -8.919 1.00 0.00 C ATOM 460 C4' C A 18 16.444 2.384 -8.316 1.00 0.00 C ATOM 461 O4' C A 18 15.289 2.144 -7.451 1.00 0.00 O ATOM 462 C3' C A 18 17.454 3.130 -7.449 1.00 0.00 C ATOM 463 O3' C A 18 18.241 4.049 -8.205 1.00 0.00 O ATOM 464 C2' C A 18 16.643 3.770 -6.323 1.00 0.00 C ATOM 465 O2' C A 18 16.294 5.138 -6.532 1.00 0.00 O ATOM 466 C1' C A 18 15.379 2.900 -6.226 1.00 0.00 C ATOM 467 N1 C A 18 15.343 2.051 -4.994 1.00 0.00 N ATOM 468 C2 C A 18 15.078 2.657 -3.702 1.00 0.00 C ATOM 469 O2 C A 18 14.869 3.878 -3.564 1.00 0.00 O ATOM 470 N3 C A 18 15.058 1.835 -2.593 1.00 0.00 N ATOM 471 C4 C A 18 15.278 0.496 -2.699 1.00 0.00 C ATOM 472 N4 C A 18 15.259 -0.330 -1.613 1.00 0.00 N ATOM 473 C5 C A 18 15.537 -0.084 -3.992 1.00 0.00 C ATOM 474 C6 C A 18 15.560 0.703 -5.064 1.00 0.00 C ATOM 0 H5' C A 18 16.173 0.562 -9.462 1.00 0.00 H new ATOM 0 H5'' C A 18 17.761 1.282 -9.642 1.00 0.00 H new ATOM 0 H4' C A 18 16.199 2.986 -9.191 1.00 0.00 H new ATOM 0 H3' C A 18 18.203 2.460 -7.027 1.00 0.00 H new ATOM 0 H2' C A 18 17.239 3.799 -5.411 1.00 0.00 H new ATOM 0 HO2' C A 18 16.824 5.502 -7.272 1.00 0.00 H new ATOM 0 HO3' C A 18 18.872 4.505 -7.610 1.00 0.00 H new ATOM 0 H1' C A 18 14.496 3.531 -6.119 1.00 0.00 H new ATOM 0 H41 C A 18 15.428 -1.329 -1.729 1.00 0.00 H new ATOM 0 H42 C A 18 15.076 0.052 -0.685 1.00 0.00 H new ATOM 0 H5 C A 18 15.710 -1.145 -4.090 1.00 0.00 H new ATOM 0 H6 C A 18 15.758 0.259 -6.029 1.00 0.00 H new TER 487 C A 18 ATOM 488 N ASN B 1 10.545 2.262 5.673 1.00 0.00 N ATOM 489 CA ASN B 1 9.767 1.671 4.545 1.00 0.00 C ATOM 490 C ASN B 1 8.397 2.313 4.407 1.00 0.00 C ATOM 491 O ASN B 1 7.703 2.540 5.404 1.00 0.00 O ATOM 492 CB ASN B 1 9.723 0.103 4.620 1.00 0.00 C ATOM 493 CG ASN B 1 9.235 -0.485 5.966 1.00 0.00 C ATOM 494 OD1 ASN B 1 9.891 -0.346 7.006 1.00 0.00 O ATOM 495 ND2 ASN B 1 8.070 -1.195 5.924 1.00 0.00 N ATOM 0 H1 ASN B 1 11.361 1.654 5.888 1.00 0.00 H new ATOM 0 H2 ASN B 1 10.881 3.209 5.405 1.00 0.00 H new ATOM 0 H3 ASN B 1 9.937 2.336 6.513 1.00 0.00 H new ATOM 0 HA ASN B 1 10.296 1.904 3.621 1.00 0.00 H new ATOM 0 HB2 ASN B 1 9.072 -0.263 3.826 1.00 0.00 H new ATOM 0 HB3 ASN B 1 10.722 -0.282 4.416 1.00 0.00 H new ATOM 0 HD21 ASN B 1 7.710 -1.635 6.771 1.00 0.00 H new ATOM 0 HD22 ASN B 1 7.559 -1.286 5.046 1.00 0.00 H new ATOM 503 N ALA B 2 8.006 2.639 3.135 1.00 0.00 N ATOM 504 CA ALA B 2 6.767 3.299 2.774 1.00 0.00 C ATOM 505 C ALA B 2 5.638 2.319 2.525 1.00 0.00 C ATOM 506 O ALA B 2 5.387 1.867 1.400 1.00 0.00 O ATOM 507 CB ALA B 2 6.893 4.282 1.591 1.00 0.00 C ATOM 0 H ALA B 2 8.587 2.429 2.323 1.00 0.00 H new ATOM 0 HA ALA B 2 6.521 3.897 3.651 1.00 0.00 H new ATOM 0 HB1 ALA B 2 5.921 4.732 1.387 1.00 0.00 H new ATOM 0 HB2 ALA B 2 7.609 5.064 1.843 1.00 0.00 H new ATOM 0 HB3 ALA B 2 7.237 3.745 0.707 1.00 0.00 H new ATOM 513 N LYS B 3 4.930 2.000 3.636 1.00 0.00 N ATOM 514 CA LYS B 3 3.751 1.160 3.715 1.00 0.00 C ATOM 515 C LYS B 3 2.557 2.111 3.766 1.00 0.00 C ATOM 516 O LYS B 3 1.753 2.124 2.834 1.00 0.00 O ATOM 517 CB LYS B 3 3.739 0.123 4.890 1.00 0.00 C ATOM 518 CG LYS B 3 4.856 -0.951 4.852 1.00 0.00 C ATOM 519 CD LYS B 3 4.790 -1.982 3.698 1.00 0.00 C ATOM 520 CE LYS B 3 6.028 -2.893 3.596 1.00 0.00 C ATOM 521 NZ LYS B 3 5.868 -3.877 2.506 1.00 0.00 N ATOM 0 H LYS B 3 5.201 2.356 4.552 1.00 0.00 H new ATOM 0 HA LYS B 3 3.722 0.511 2.840 1.00 0.00 H new ATOM 0 HB2 LYS B 3 3.816 0.667 5.831 1.00 0.00 H new ATOM 0 HB3 LYS B 3 2.774 -0.383 4.893 1.00 0.00 H new ATOM 0 HG2 LYS B 3 5.817 -0.440 4.798 1.00 0.00 H new ATOM 0 HG3 LYS B 3 4.837 -1.495 5.796 1.00 0.00 H new ATOM 0 HD2 LYS B 3 3.905 -2.604 3.831 1.00 0.00 H new ATOM 0 HD3 LYS B 3 4.666 -1.449 2.755 1.00 0.00 H new ATOM 0 HE2 LYS B 3 6.917 -2.288 3.418 1.00 0.00 H new ATOM 0 HE3 LYS B 3 6.181 -3.413 4.542 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 6.804 -4.141 2.136 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 5.388 -4.724 2.871 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 5.299 -3.459 1.742 1.00 0.00 H new ATOM 535 N THR B 4 2.445 2.940 4.857 1.00 0.00 N ATOM 536 CA THR B 4 1.393 3.918 5.137 1.00 0.00 C ATOM 537 C THR B 4 1.318 5.078 4.152 1.00 0.00 C ATOM 538 O THR B 4 0.206 5.441 3.767 1.00 0.00 O ATOM 539 CB THR B 4 1.327 4.450 6.584 1.00 0.00 C ATOM 540 OG1 THR B 4 2.604 4.854 7.075 1.00 0.00 O ATOM 541 CG2 THR B 4 0.692 3.392 7.526 1.00 0.00 C ATOM 0 H THR B 4 3.145 2.923 5.599 1.00 0.00 H new ATOM 0 HA THR B 4 0.507 3.299 4.996 1.00 0.00 H new ATOM 0 HB THR B 4 0.695 5.338 6.568 1.00 0.00 H new ATOM 0 HG1 THR B 4 2.512 5.185 7.993 1.00 0.00 H new ATOM 0 HG21 THR B 4 0.654 3.785 8.542 1.00 0.00 H new ATOM 0 HG22 THR B 4 -0.319 3.163 7.187 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.294 2.483 7.511 1.00 0.00 H new ATOM 549 N ARG B 5 2.472 5.670 3.714 1.00 0.00 N ATOM 550 CA ARG B 5 2.557 6.776 2.763 1.00 0.00 C ATOM 551 C ARG B 5 1.857 6.429 1.436 1.00 0.00 C ATOM 552 O ARG B 5 1.003 7.199 0.986 1.00 0.00 O ATOM 553 CB ARG B 5 4.040 7.233 2.566 1.00 0.00 C ATOM 554 CG ARG B 5 4.263 8.630 1.935 1.00 0.00 C ATOM 555 CD ARG B 5 3.913 9.825 2.843 1.00 0.00 C ATOM 556 NE ARG B 5 4.169 11.115 2.097 1.00 0.00 N ATOM 557 CZ ARG B 5 5.283 11.912 2.203 1.00 0.00 C ATOM 558 NH1 ARG B 5 6.383 11.575 2.940 1.00 0.00 N ATOM 559 NH2 ARG B 5 5.291 13.105 1.531 1.00 0.00 N ATOM 0 H ARG B 5 3.390 5.364 4.038 1.00 0.00 H new ATOM 0 HA ARG B 5 2.019 7.628 3.179 1.00 0.00 H new ATOM 0 HB2 ARG B 5 4.532 7.217 3.538 1.00 0.00 H new ATOM 0 HB3 ARG B 5 4.543 6.494 1.942 1.00 0.00 H new ATOM 0 HG2 ARG B 5 5.308 8.714 1.638 1.00 0.00 H new ATOM 0 HG3 ARG B 5 3.667 8.699 1.025 1.00 0.00 H new ATOM 0 HD2 ARG B 5 2.868 9.770 3.148 1.00 0.00 H new ATOM 0 HD3 ARG B 5 4.513 9.793 3.752 1.00 0.00 H new ATOM 0 HE ARG B 5 3.443 11.424 1.451 1.00 0.00 H new ATOM 0 HH11 ARG B 5 6.405 10.691 3.448 1.00 0.00 H new ATOM 0 HH12 ARG B 5 7.182 12.207 2.982 1.00 0.00 H new ATOM 0 HH21 ARG B 5 4.484 13.380 0.971 1.00 0.00 H new ATOM 0 HH22 ARG B 5 6.104 13.718 1.590 1.00 0.00 H new ATOM 573 N ARG B 6 2.168 5.235 0.834 1.00 0.00 N ATOM 574 CA ARG B 6 1.561 4.671 -0.367 1.00 0.00 C ATOM 575 C ARG B 6 0.088 4.346 -0.066 1.00 0.00 C ATOM 576 O ARG B 6 -0.790 4.818 -0.795 1.00 0.00 O ATOM 577 CB ARG B 6 2.349 3.422 -0.891 1.00 0.00 C ATOM 578 CG ARG B 6 1.665 2.569 -1.994 1.00 0.00 C ATOM 579 CD ARG B 6 2.507 1.385 -2.493 1.00 0.00 C ATOM 580 NE ARG B 6 1.618 0.286 -3.028 1.00 0.00 N ATOM 581 CZ ARG B 6 1.278 0.095 -4.341 1.00 0.00 C ATOM 582 NH1 ARG B 6 1.356 1.092 -5.270 1.00 0.00 N ATOM 583 NH2 ARG B 6 0.848 -1.140 -4.748 1.00 0.00 N ATOM 0 H ARG B 6 2.892 4.626 1.214 1.00 0.00 H new ATOM 0 HA ARG B 6 1.607 5.403 -1.173 1.00 0.00 H new ATOM 0 HB2 ARG B 6 3.310 3.764 -1.275 1.00 0.00 H new ATOM 0 HB3 ARG B 6 2.558 2.772 -0.041 1.00 0.00 H new ATOM 0 HG2 ARG B 6 0.719 2.189 -1.608 1.00 0.00 H new ATOM 0 HG3 ARG B 6 1.429 3.214 -2.841 1.00 0.00 H new ATOM 0 HD2 ARG B 6 3.189 1.721 -3.274 1.00 0.00 H new ATOM 0 HD3 ARG B 6 3.120 1.000 -1.679 1.00 0.00 H new ATOM 0 HE ARG B 6 1.237 -0.373 -2.350 1.00 0.00 H new ATOM 0 HH11 ARG B 6 1.677 2.021 -4.996 1.00 0.00 H new ATOM 0 HH12 ARG B 6 1.093 0.908 -6.238 1.00 0.00 H new ATOM 0 HH21 ARG B 6 0.784 -1.905 -4.076 1.00 0.00 H new ATOM 0 HH22 ARG B 6 0.592 -1.295 -5.723 1.00 0.00 H new ATOM 597 N HIS B 7 -0.196 3.540 1.016 1.00 0.00 N ATOM 598 CA HIS B 7 -1.493 3.105 1.510 1.00 0.00 C ATOM 599 C HIS B 7 -2.522 4.223 1.518 1.00 0.00 C ATOM 600 O HIS B 7 -3.528 4.052 0.856 1.00 0.00 O ATOM 601 CB HIS B 7 -1.419 2.435 2.917 1.00 0.00 C ATOM 602 CG HIS B 7 -2.738 2.067 3.555 1.00 0.00 C ATOM 603 ND1 HIS B 7 -3.729 2.867 4.014 1.00 0.00 N flip ATOM 604 CD2 HIS B 7 -3.130 0.779 3.787 1.00 0.00 C flip ATOM 605 CE1 HIS B 7 -4.705 2.056 4.520 1.00 0.00 C flip ATOM 606 NE2 HIS B 7 -4.326 0.802 4.356 1.00 0.00 N flip ATOM 0 H HIS B 7 0.559 3.164 1.590 1.00 0.00 H new ATOM 0 HA HIS B 7 -1.821 2.347 0.799 1.00 0.00 H new ATOM 0 HB2 HIS B 7 -0.816 1.531 2.834 1.00 0.00 H new ATOM 0 HB3 HIS B 7 -0.890 3.110 3.590 1.00 0.00 H new ATOM 0 HD1 HIS B 7 -3.744 3.887 3.987 1.00 0.00 H new ATOM 0 HD2 HIS B 7 -2.561 -0.107 3.547 1.00 0.00 H new ATOM 0 HE1 HIS B 7 -5.628 2.384 4.976 1.00 0.00 H new ATOM 615 N GLU B 8 -2.301 5.370 2.232 1.00 0.00 N ATOM 616 CA GLU B 8 -3.160 6.546 2.370 1.00 0.00 C ATOM 617 C GLU B 8 -4.011 6.870 1.122 1.00 0.00 C ATOM 618 O GLU B 8 -5.241 6.839 1.206 1.00 0.00 O ATOM 619 CB GLU B 8 -2.309 7.775 2.845 1.00 0.00 C ATOM 620 CG GLU B 8 -3.121 8.973 3.395 1.00 0.00 C ATOM 621 CD GLU B 8 -2.190 10.106 3.838 1.00 0.00 C ATOM 622 OE1 GLU B 8 -1.573 10.760 2.954 1.00 0.00 O ATOM 623 OE2 GLU B 8 -2.096 10.342 5.073 1.00 0.00 O ATOM 0 H GLU B 8 -1.438 5.485 2.764 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.898 6.304 3.134 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -1.619 7.440 3.619 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -1.704 8.122 2.007 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -3.804 9.337 2.628 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -3.731 8.648 4.237 1.00 0.00 H new ATOM 630 N ARG B 9 -3.369 7.150 -0.054 1.00 0.00 N ATOM 631 CA ARG B 9 -3.999 7.449 -1.344 1.00 0.00 C ATOM 632 C ARG B 9 -4.631 6.216 -2.007 1.00 0.00 C ATOM 633 O ARG B 9 -5.793 6.286 -2.418 1.00 0.00 O ATOM 634 CB ARG B 9 -3.105 8.264 -2.332 1.00 0.00 C ATOM 635 CG ARG B 9 -1.679 7.720 -2.568 1.00 0.00 C ATOM 636 CD ARG B 9 -0.824 8.567 -3.528 1.00 0.00 C ATOM 637 NE ARG B 9 0.590 8.037 -3.565 1.00 0.00 N ATOM 638 CZ ARG B 9 1.050 7.014 -4.357 1.00 0.00 C ATOM 639 NH1 ARG B 9 0.231 6.225 -5.110 1.00 0.00 N ATOM 640 NH2 ARG B 9 2.394 6.770 -4.382 1.00 0.00 N ATOM 0 H ARG B 9 -2.351 7.170 -0.112 1.00 0.00 H new ATOM 0 HA ARG B 9 -4.818 8.121 -1.088 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -3.616 8.315 -3.294 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -3.025 9.285 -1.959 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -1.166 7.652 -1.609 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -1.751 6.707 -2.963 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -1.256 8.545 -4.529 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -0.823 9.608 -3.205 1.00 0.00 H new ATOM 0 HE ARG B 9 1.266 8.481 -2.944 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -0.777 6.382 -5.102 1.00 0.00 H new ATOM 0 HH12 ARG B 9 0.626 5.478 -5.681 1.00 0.00 H new ATOM 0 HH21 ARG B 9 3.027 7.341 -3.822 1.00 0.00 H new ATOM 0 HH22 ARG B 9 2.765 6.017 -4.961 1.00 0.00 H new ATOM 654 N ARG B 10 -3.896 5.059 -2.095 1.00 0.00 N ATOM 655 CA ARG B 10 -4.329 3.770 -2.645 1.00 0.00 C ATOM 656 C ARG B 10 -5.623 3.285 -1.955 1.00 0.00 C ATOM 657 O ARG B 10 -6.545 2.867 -2.647 1.00 0.00 O ATOM 658 CB ARG B 10 -3.161 2.725 -2.524 1.00 0.00 C ATOM 659 CG ARG B 10 -3.392 1.284 -3.054 1.00 0.00 C ATOM 660 CD ARG B 10 -2.158 0.356 -2.904 1.00 0.00 C ATOM 661 NE ARG B 10 -2.492 -1.092 -3.220 1.00 0.00 N ATOM 662 CZ ARG B 10 -2.620 -1.658 -4.462 1.00 0.00 C ATOM 663 NH1 ARG B 10 -2.378 -0.988 -5.624 1.00 0.00 N ATOM 664 NH2 ARG B 10 -3.005 -2.969 -4.516 1.00 0.00 N ATOM 0 H ARG B 10 -2.934 5.021 -1.759 1.00 0.00 H new ATOM 0 HA ARG B 10 -4.565 3.888 -3.703 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -2.296 3.134 -3.046 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -2.892 2.650 -1.470 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -4.234 0.842 -2.522 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -3.671 1.334 -4.106 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -1.364 0.698 -3.568 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -1.774 0.426 -1.886 1.00 0.00 H new ATOM 0 HE ARG B 10 -2.637 -1.710 -2.422 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -2.084 -0.012 -5.598 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -2.490 -1.463 -6.520 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -3.184 -3.484 -3.654 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -3.113 -3.432 -5.418 1.00 0.00 H new ATOM 678 N ARG B 11 -5.722 3.375 -0.589 1.00 0.00 N ATOM 679 CA ARG B 11 -6.805 3.073 0.335 1.00 0.00 C ATOM 680 C ARG B 11 -8.081 3.729 -0.142 1.00 0.00 C ATOM 681 O ARG B 11 -9.020 2.996 -0.429 1.00 0.00 O ATOM 682 CB ARG B 11 -6.435 3.489 1.784 1.00 0.00 C ATOM 683 CG ARG B 11 -7.457 3.153 2.884 1.00 0.00 C ATOM 684 CD ARG B 11 -7.467 4.149 4.044 1.00 0.00 C ATOM 685 NE ARG B 11 -8.322 3.548 5.132 1.00 0.00 N ATOM 686 CZ ARG B 11 -8.516 4.066 6.387 1.00 0.00 C ATOM 687 NH1 ARG B 11 -7.963 5.245 6.798 1.00 0.00 N ATOM 688 NH2 ARG B 11 -9.301 3.362 7.259 1.00 0.00 N ATOM 0 H ARG B 11 -4.915 3.712 -0.064 1.00 0.00 H new ATOM 0 HA ARG B 11 -6.969 1.996 0.355 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.489 3.014 2.043 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.265 4.566 1.796 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.453 3.115 2.442 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -7.243 2.158 3.274 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.455 4.331 4.405 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -7.869 5.110 3.724 1.00 0.00 H new ATOM 0 HE ARG B 11 -8.801 2.674 4.914 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -7.376 5.782 6.160 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -8.137 5.588 7.743 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -9.722 2.480 6.968 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -9.465 3.720 8.200 1.00 0.00 H new ATOM 702 N LYS B 12 -8.134 5.097 -0.261 1.00 0.00 N ATOM 703 CA LYS B 12 -9.263 5.900 -0.736 1.00 0.00 C ATOM 704 C LYS B 12 -9.933 5.257 -1.954 1.00 0.00 C ATOM 705 O LYS B 12 -11.135 4.986 -1.920 1.00 0.00 O ATOM 706 CB LYS B 12 -8.875 7.391 -1.019 1.00 0.00 C ATOM 707 CG LYS B 12 -8.454 8.207 0.231 1.00 0.00 C ATOM 708 CD LYS B 12 -7.963 9.642 -0.070 1.00 0.00 C ATOM 709 CE LYS B 12 -7.500 10.420 1.176 1.00 0.00 C ATOM 710 NZ LYS B 12 -7.038 11.780 0.811 1.00 0.00 N ATOM 0 H LYS B 12 -7.335 5.679 -0.009 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.988 5.920 0.077 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -8.056 7.407 -1.738 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -9.723 7.888 -1.490 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -9.302 8.263 0.914 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -7.662 7.668 0.750 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -7.138 9.591 -0.781 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -8.767 10.196 -0.554 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -8.320 10.490 1.891 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -6.693 9.878 1.669 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -6.731 12.284 1.667 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -6.241 11.709 0.147 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -7.817 12.303 0.362 1.00 0.00 H new ATOM 724 N LEU B 13 -9.137 4.954 -3.020 1.00 0.00 N ATOM 725 CA LEU B 13 -9.525 4.298 -4.259 1.00 0.00 C ATOM 726 C LEU B 13 -9.973 2.865 -4.063 1.00 0.00 C ATOM 727 O LEU B 13 -11.069 2.534 -4.510 1.00 0.00 O ATOM 728 CB LEU B 13 -8.398 4.355 -5.323 1.00 0.00 C ATOM 729 CG LEU B 13 -8.078 5.799 -5.795 1.00 0.00 C ATOM 730 CD1 LEU B 13 -6.667 5.860 -6.439 1.00 0.00 C ATOM 731 CD2 LEU B 13 -9.259 6.386 -6.628 1.00 0.00 C ATOM 0 H LEU B 13 -8.144 5.186 -3.014 1.00 0.00 H new ATOM 0 HA LEU B 13 -10.384 4.863 -4.622 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -7.495 3.905 -4.911 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -8.689 3.754 -6.184 1.00 0.00 H new ATOM 0 HG LEU B 13 -8.007 6.477 -4.945 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -6.459 6.879 -6.764 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -5.920 5.553 -5.707 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -6.630 5.190 -7.298 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -9.011 7.398 -6.947 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -9.432 5.761 -7.504 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -10.160 6.409 -6.015 1.00 0.00 H new ATOM 743 N ALA B 14 -9.156 2.005 -3.379 1.00 0.00 N ATOM 744 CA ALA B 14 -9.407 0.612 -3.034 1.00 0.00 C ATOM 745 C ALA B 14 -10.768 0.452 -2.402 1.00 0.00 C ATOM 746 O ALA B 14 -11.535 -0.411 -2.842 1.00 0.00 O ATOM 747 CB ALA B 14 -8.373 0.036 -2.052 1.00 0.00 C ATOM 0 H ALA B 14 -8.244 2.313 -3.040 1.00 0.00 H new ATOM 0 HA ALA B 14 -9.341 0.066 -3.975 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -8.617 -1.004 -1.836 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -7.379 0.091 -2.496 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -8.389 0.612 -1.127 1.00 0.00 H new ATOM 753 N ILE B 15 -11.103 1.323 -1.387 1.00 0.00 N ATOM 754 CA ILE B 15 -12.385 1.336 -0.734 1.00 0.00 C ATOM 755 C ILE B 15 -13.446 1.645 -1.798 1.00 0.00 C ATOM 756 O ILE B 15 -14.343 0.829 -2.009 1.00 0.00 O ATOM 757 CB ILE B 15 -12.649 2.215 0.515 1.00 0.00 C ATOM 758 CG1 ILE B 15 -11.505 2.358 1.564 1.00 0.00 C ATOM 759 CG2 ILE B 15 -13.906 1.599 1.173 1.00 0.00 C ATOM 760 CD1 ILE B 15 -11.138 3.818 1.781 1.00 0.00 C ATOM 0 H ILE B 15 -10.458 2.025 -1.026 1.00 0.00 H new ATOM 0 HA ILE B 15 -12.423 0.343 -0.287 1.00 0.00 H new ATOM 0 HB ILE B 15 -12.757 3.244 0.171 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -11.817 1.914 2.509 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -10.628 1.806 1.227 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -14.162 2.165 2.069 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -14.739 1.635 0.471 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -13.704 0.563 1.444 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -10.338 3.886 2.518 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -10.803 4.253 0.839 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -12.010 4.363 2.142 1.00 0.00 H new ATOM 772 N GLU B 16 -13.341 2.836 -2.466 1.00 0.00 N ATOM 773 CA GLU B 16 -14.236 3.357 -3.481 1.00 0.00 C ATOM 774 C GLU B 16 -14.514 2.419 -4.695 1.00 0.00 C ATOM 775 O GLU B 16 -15.466 2.660 -5.443 1.00 0.00 O ATOM 776 CB GLU B 16 -13.702 4.761 -3.983 1.00 0.00 C ATOM 777 CG GLU B 16 -14.720 5.659 -4.731 1.00 0.00 C ATOM 778 CD GLU B 16 -14.103 7.025 -5.058 1.00 0.00 C ATOM 779 OE1 GLU B 16 -13.192 7.081 -5.929 1.00 0.00 O ATOM 780 OE2 GLU B 16 -14.547 8.032 -4.445 1.00 0.00 O ATOM 0 H GLU B 16 -12.571 3.478 -2.278 1.00 0.00 H new ATOM 0 HA GLU B 16 -15.204 3.450 -2.988 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -13.329 5.313 -3.120 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -12.851 4.587 -4.642 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -15.037 5.168 -5.651 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -15.611 5.795 -4.118 1.00 0.00 H new ATOM 787 N ARG B 17 -13.729 1.312 -4.899 1.00 0.00 N ATOM 788 CA ARG B 17 -13.911 0.288 -5.930 1.00 0.00 C ATOM 789 C ARG B 17 -15.043 -0.630 -5.456 1.00 0.00 C ATOM 790 O ARG B 17 -16.036 -0.800 -6.168 1.00 0.00 O ATOM 791 CB ARG B 17 -12.623 -0.532 -6.279 1.00 0.00 C ATOM 792 CG ARG B 17 -11.535 0.258 -7.046 1.00 0.00 C ATOM 793 CD ARG B 17 -10.227 -0.517 -7.296 1.00 0.00 C ATOM 794 NE ARG B 17 -9.249 0.403 -7.998 1.00 0.00 N ATOM 795 CZ ARG B 17 -8.134 0.987 -7.444 1.00 0.00 C ATOM 796 NH1 ARG B 17 -7.724 0.744 -6.166 1.00 0.00 N ATOM 797 NH2 ARG B 17 -7.406 1.854 -8.212 1.00 0.00 N ATOM 0 H ARG B 17 -12.919 1.120 -4.309 1.00 0.00 H new ATOM 0 HA ARG B 17 -14.157 0.789 -6.866 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -12.191 -0.913 -5.354 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -12.911 -1.397 -6.876 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -11.944 0.572 -8.006 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -11.302 1.164 -6.487 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -9.808 -0.866 -6.353 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -10.420 -1.400 -7.905 1.00 0.00 H new ATOM 0 HE ARG B 17 -9.436 0.610 -8.979 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -8.252 0.103 -5.574 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -6.889 1.203 -5.802 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -7.695 2.053 -9.170 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -6.574 2.302 -7.827 1.00 0.00 H new ATOM 811 N ASP B 18 -14.903 -1.200 -4.220 1.00 0.00 N ATOM 812 CA ASP B 18 -15.824 -2.064 -3.494 1.00 0.00 C ATOM 813 C ASP B 18 -17.187 -1.391 -3.252 1.00 0.00 C ATOM 814 O ASP B 18 -18.218 -2.005 -3.536 1.00 0.00 O ATOM 815 CB ASP B 18 -15.183 -2.561 -2.152 1.00 0.00 C ATOM 816 CG ASP B 18 -16.025 -3.632 -1.445 1.00 0.00 C ATOM 817 OD1 ASP B 18 -16.156 -4.756 -2.000 1.00 0.00 O ATOM 818 OD2 ASP B 18 -16.540 -3.336 -0.334 1.00 0.00 O ATOM 0 H ASP B 18 -14.056 -1.036 -3.676 1.00 0.00 H new ATOM 0 HA ASP B 18 -16.014 -2.934 -4.122 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -14.191 -2.964 -2.357 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -15.050 -1.711 -1.483 1.00 0.00 H new ATOM 823 N THR B 19 -17.182 -0.123 -2.734 1.00 0.00 N ATOM 824 CA THR B 19 -18.299 0.772 -2.403 1.00 0.00 C ATOM 825 C THR B 19 -19.467 0.668 -3.419 1.00 0.00 C ATOM 826 O THR B 19 -19.251 0.907 -4.639 1.00 0.00 O ATOM 827 CB THR B 19 -17.891 2.253 -2.236 1.00 0.00 C ATOM 828 OG1 THR B 19 -17.322 2.788 -3.414 1.00 0.00 O ATOM 829 CG2 THR B 19 -17.032 2.521 -0.979 1.00 0.00 C ATOM 830 OXT THR B 19 -20.595 0.328 -2.969 1.00 0.00 O ATOM 0 H THR B 19 -16.292 0.329 -2.522 1.00 0.00 H new ATOM 0 HA THR B 19 -18.641 0.417 -1.431 1.00 0.00 H new ATOM 0 HB THR B 19 -18.820 2.797 -2.064 1.00 0.00 H new ATOM 0 HG1 THR B 19 -17.739 2.372 -4.197 1.00 0.00 H new ATOM 0 HG21 THR B 19 -16.783 3.581 -0.927 1.00 0.00 H new ATOM 0 HG22 THR B 19 -17.592 2.236 -0.088 1.00 0.00 H new ATOM 0 HG23 THR B 19 -16.114 1.935 -1.034 1.00 0.00 H new TER 838 THR B 19