USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 379 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 NoAdj-H: A 23 HIS HE2 : A 23 HIS NE2 : A 54H ZNZN :(H bumps) USER MOD NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 55H ZNZN :(H bumps) USER MOD Single : A 12 ASN : amide:sc= 0.985 K(o=0.98,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0.658 K(o=0.66,f=-2) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -140:sc= 0.0133 USER MOD Single : A 27 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 33 LYS NZ :NH3+ -129:sc= 0.677 (180deg=-0.0239) USER MOD Single : A 34 LYS NZ :NH3+ 161:sc= 0.472 (180deg=0.223) USER MOD Single : A 38 LYS NZ :NH3+ 175:sc= 0.941 (180deg=0.914) USER MOD Single : A 41 LYS NZ :NH3+ -168:sc= 1.11 (180deg=0.77) USER MOD Single : A 45 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.19) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -161:sc= 1.11 (180deg=0.652) USER MOD Single : A 50 THR OG1 : rot -52:sc= 0.663 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 1 DA O5' : rot 180:sc= 0 USER MOD Single : D 5 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA D 1 5.176 22.166 20.034 1.00 0.00 O ATOM 2 C5' DA D 1 6.435 22.238 19.398 1.00 1.00 C ATOM 3 C4' DA D 1 6.823 23.680 19.061 1.00 4.00 C ATOM 4 O4' DA D 1 6.123 24.166 17.939 1.00 0.00 O ATOM 5 C3' DA D 1 6.533 24.737 20.120 1.00 4.00 C ATOM 6 O3' DA D 1 7.373 24.593 21.249 1.00 0.00 O ATOM 7 C2' DA D 1 6.805 25.988 19.286 1.00 1.00 C ATOM 8 C1' DA D 1 6.375 25.556 17.875 1.00 4.00 C ATOM 9 N9 DA D 1 5.163 26.251 17.387 1.00 0.00 N ATOM 10 C8 DA D 1 4.058 26.661 18.094 1.00 0.00 C ATOM 11 N7 DA D 1 3.162 27.281 17.378 1.00 0.00 N ATOM 12 C5 DA D 1 3.697 27.263 16.096 1.00 0.00 C ATOM 13 C6 DA D 1 3.239 27.762 14.857 1.00 0.00 C ATOM 14 N6 DA D 1 2.091 28.437 14.727 1.00 0.00 N ATOM 15 N1 DA D 1 3.993 27.552 13.762 1.00 0.00 N ATOM 16 C2 DA D 1 5.143 26.896 13.888 1.00 0.00 C ATOM 17 N3 DA D 1 5.696 26.398 14.992 1.00 0.00 N ATOM 18 C4 DA D 1 4.909 26.617 16.083 1.00 0.00 C ATOM 0 H5' DA D 1 6.414 21.645 18.484 1.00 1.00 H new ATOM 0 H5'' DA D 1 7.194 21.800 20.046 1.00 1.00 H new ATOM 0 H4' DA D 1 7.899 23.570 18.925 1.00 4.00 H new ATOM 0 H3' DA D 1 5.543 24.713 20.575 1.00 4.00 H new ATOM 0 H2' DA D 1 6.230 26.843 19.640 1.00 1.00 H new ATOM 0 H2'' DA D 1 7.856 26.275 19.318 1.00 1.00 H new ATOM 0 HO5' DA D 1 4.962 21.230 20.232 1.00 0.00 H new ATOM 0 H1' DA D 1 7.169 25.813 17.174 1.00 4.00 H new ATOM 0 H8 DA D 1 3.942 26.485 19.153 1.00 0.00 H new ATOM 0 H61 DA D 1 1.801 28.778 13.811 1.00 0.00 H new ATOM 0 H62 DA D 1 1.506 28.610 15.544 1.00 0.00 H new ATOM 0 H2 DA D 1 5.701 26.748 12.975 1.00 0.00 H new ATOM 31 P DC D 2 7.313 25.629 22.485 1.00 4.00 P ATOM 32 OP1 DC D 2 7.976 24.992 23.647 1.00 0.00 O ATOM 33 OP2 DC D 2 5.930 26.140 22.607 1.00 0.00 O ATOM 34 O5' DC D 2 8.259 26.825 21.973 1.00 0.00 O ATOM 35 C5' DC D 2 9.649 26.780 22.210 1.00 1.00 C ATOM 36 C4' DC D 2 10.407 27.765 21.329 1.00 4.00 C ATOM 37 O4' DC D 2 10.281 27.404 19.984 1.00 0.00 O ATOM 38 C3' DC D 2 9.938 29.214 21.376 1.00 4.00 C ATOM 39 O3' DC D 2 10.457 29.779 22.567 1.00 0.00 O ATOM 40 C2' DC D 2 10.479 29.743 20.035 1.00 1.00 C ATOM 41 C1' DC D 2 10.808 28.473 19.237 1.00 4.00 C ATOM 42 N1 DC D 2 10.197 28.354 17.889 1.00 0.00 N ATOM 43 C2 DC D 2 11.006 27.984 16.811 1.00 0.00 C ATOM 44 O2 DC D 2 12.230 27.953 16.907 1.00 0.00 O ATOM 45 N3 DC D 2 10.407 27.624 15.643 1.00 0.00 N ATOM 46 C4 DC D 2 9.077 27.688 15.506 1.00 0.00 C ATOM 47 N4 DC D 2 8.536 27.277 14.361 1.00 0.00 N ATOM 48 C5 DC D 2 8.235 28.172 16.562 1.00 0.00 C ATOM 49 C6 DC D 2 8.839 28.487 17.730 1.00 0.00 C ATOM 0 H5' DC D 2 10.016 25.771 22.025 1.00 1.00 H new ATOM 0 H5'' DC D 2 9.846 27.004 23.258 1.00 1.00 H new ATOM 0 H4' DC D 2 11.420 27.713 21.728 1.00 4.00 H new ATOM 0 H3' DC D 2 8.872 29.431 21.440 1.00 4.00 H new ATOM 0 H2' DC D 2 9.739 30.356 19.521 1.00 1.00 H new ATOM 0 H2'' DC D 2 11.363 30.364 20.179 1.00 1.00 H new ATOM 0 H1' DC D 2 11.887 28.487 19.083 1.00 4.00 H new ATOM 0 H41 DC D 2 7.525 27.316 14.232 1.00 0.00 H new ATOM 0 H42 DC D 2 9.133 26.924 13.613 1.00 0.00 H new ATOM 0 H5 DC D 2 7.169 28.280 16.430 1.00 0.00 H new ATOM 0 H6 DC D 2 8.242 28.850 18.554 1.00 0.00 H new ATOM 61 P DG D 3 10.730 31.350 22.777 1.00 4.00 P ATOM 62 OP1 DG D 3 10.778 31.631 24.229 1.00 0.00 O ATOM 63 OP2 DG D 3 9.800 32.127 21.925 1.00 0.00 O ATOM 64 O5' DG D 3 12.225 31.503 22.191 1.00 0.00 O ATOM 65 C5' DG D 3 13.233 30.546 22.447 1.00 1.00 C ATOM 66 C4' DG D 3 14.563 31.201 22.833 1.00 4.00 C ATOM 67 O4' DG D 3 14.990 32.077 21.816 1.00 0.00 O ATOM 68 C3' DG D 3 14.481 32.007 24.128 1.00 4.00 C ATOM 69 O3' DG D 3 15.744 31.933 24.766 1.00 0.00 O ATOM 70 C2' DG D 3 14.199 33.416 23.630 1.00 1.00 C ATOM 71 C1' DG D 3 14.867 33.412 22.255 1.00 4.00 C ATOM 72 N9 DG D 3 14.110 34.195 21.256 1.00 0.00 N ATOM 73 C8 DG D 3 12.753 34.298 21.079 1.00 0.00 C ATOM 74 N7 DG D 3 12.398 35.044 20.075 1.00 0.00 N ATOM 75 C5 DG D 3 13.605 35.499 19.566 1.00 0.00 C ATOM 76 C6 DG D 3 13.856 36.388 18.484 1.00 0.00 C ATOM 77 O6 DG D 3 13.036 36.963 17.779 1.00 0.00 O ATOM 78 N1 DG D 3 15.213 36.582 18.262 1.00 0.00 N ATOM 79 C2 DG D 3 16.218 36.027 19.029 1.00 0.00 C ATOM 80 N2 DG D 3 17.471 36.336 18.686 1.00 0.00 N ATOM 81 N3 DG D 3 15.986 35.207 20.065 1.00 0.00 N ATOM 82 C4 DG D 3 14.660 34.983 20.278 1.00 0.00 C ATOM 0 H5' DG D 3 13.378 29.926 21.562 1.00 1.00 H new ATOM 0 H5'' DG D 3 12.909 29.884 23.250 1.00 1.00 H new ATOM 0 H4' DG D 3 15.266 30.381 22.976 1.00 4.00 H new ATOM 0 H3' DG D 3 13.732 31.665 24.843 1.00 4.00 H new ATOM 0 H2' DG D 3 13.130 33.618 23.563 1.00 1.00 H new ATOM 0 H2'' DG D 3 14.626 34.173 24.288 1.00 1.00 H new ATOM 0 H1' DG D 3 15.845 33.882 22.355 1.00 4.00 H new ATOM 0 H8 DG D 3 12.040 33.801 21.720 1.00 0.00 H new ATOM 0 H1 DG D 3 15.486 37.175 17.478 1.00 0.00 H new ATOM 0 H21 DG D 3 18.254 35.955 19.217 1.00 0.00 H new ATOM 0 H22 DG D 3 17.645 36.953 17.893 1.00 0.00 H new ATOM 94 P DC D 4 16.006 32.365 26.302 1.00 4.00 P ATOM 95 OP1 DC D 4 17.351 31.858 26.656 1.00 0.00 O ATOM 96 OP2 DC D 4 14.832 31.950 27.101 1.00 0.00 O ATOM 97 O5' DC D 4 16.071 33.981 26.286 1.00 0.00 O ATOM 98 C5' DC D 4 17.158 34.677 25.699 1.00 1.00 C ATOM 99 C4' DC D 4 16.888 36.185 25.654 1.00 4.00 C ATOM 100 O4' DC D 4 15.653 36.458 25.018 1.00 0.00 O ATOM 101 C3' DC D 4 16.823 36.854 27.025 1.00 4.00 C ATOM 102 O3' DC D 4 18.106 37.221 27.503 1.00 0.00 O ATOM 103 C2' DC D 4 16.033 38.107 26.679 1.00 1.00 C ATOM 104 C1' DC D 4 15.094 37.644 25.564 1.00 4.00 C ATOM 105 N1 DC D 4 13.712 37.426 26.080 1.00 0.00 N ATOM 106 C2 DC D 4 12.921 38.556 26.303 1.00 0.00 C ATOM 107 O2 DC D 4 13.365 39.687 26.109 1.00 0.00 O ATOM 108 N3 DC D 4 11.644 38.382 26.745 1.00 0.00 N ATOM 109 C4 DC D 4 11.143 37.159 26.960 1.00 0.00 C ATOM 110 N4 DC D 4 9.890 37.049 27.414 1.00 0.00 N ATOM 111 C5 DC D 4 11.932 35.982 26.730 1.00 0.00 C ATOM 112 C6 DC D 4 13.207 36.167 26.315 1.00 0.00 C ATOM 0 H5' DC D 4 17.329 34.305 24.689 1.00 1.00 H new ATOM 0 H5'' DC D 4 18.067 34.484 26.268 1.00 1.00 H new ATOM 0 H4' DC D 4 17.737 36.591 25.104 1.00 4.00 H new ATOM 0 H3' DC D 4 16.400 36.218 27.803 1.00 4.00 H new ATOM 0 H2' DC D 4 15.479 38.482 27.540 1.00 1.00 H new ATOM 0 H2'' DC D 4 16.686 38.913 26.344 1.00 1.00 H new ATOM 0 H1' DC D 4 15.003 38.405 24.789 1.00 4.00 H new ATOM 0 H41 DC D 4 9.488 36.127 27.585 1.00 0.00 H new ATOM 0 H42 DC D 4 9.336 37.887 27.590 1.00 0.00 H new ATOM 0 H5 DC D 4 11.526 34.993 26.881 1.00 0.00 H new ATOM 0 H6 DC D 4 13.843 35.307 26.165 1.00 0.00 H new ATOM 124 P DC D 5 18.663 36.722 28.932 1.00 4.00 P ATOM 125 OP1 DC D 5 19.891 37.486 29.244 1.00 0.00 O ATOM 126 OP2 DC D 5 18.699 35.244 28.917 1.00 0.00 O ATOM 127 O5' DC D 5 17.501 37.183 29.951 1.00 0.00 O ATOM 128 C5' DC D 5 17.259 38.539 30.272 1.00 1.00 C ATOM 129 C4' DC D 5 15.888 38.669 30.950 1.00 4.00 C ATOM 130 O4' DC D 5 14.856 38.261 30.067 1.00 0.00 O ATOM 131 C3' DC D 5 15.726 37.811 32.204 1.00 4.00 C ATOM 132 O3' DC D 5 16.254 38.438 33.354 1.00 0.00 O ATOM 133 C2' DC D 5 14.210 37.684 32.278 1.00 1.00 C ATOM 134 C1' DC D 5 13.780 37.701 30.806 1.00 4.00 C ATOM 135 N1 DC D 5 13.479 36.330 30.298 1.00 0.00 N ATOM 136 C2 DC D 5 12.146 35.922 30.178 1.00 0.00 C ATOM 137 O2 DC D 5 11.225 36.640 30.559 1.00 0.00 O ATOM 138 N3 DC D 5 11.884 34.705 29.616 1.00 0.00 N ATOM 139 C4 DC D 5 12.877 33.904 29.198 1.00 0.00 C ATOM 140 N4 DC D 5 12.571 32.760 28.577 1.00 0.00 N ATOM 141 C5 DC D 5 14.251 34.266 29.391 1.00 0.00 C ATOM 142 C6 DC D 5 14.496 35.476 29.941 1.00 0.00 C ATOM 0 H5' DC D 5 17.289 39.148 29.369 1.00 1.00 H new ATOM 0 H5'' DC D 5 18.041 38.912 30.934 1.00 1.00 H new ATOM 0 H4' DC D 5 15.821 39.722 31.225 1.00 4.00 H new ATOM 0 H3' DC D 5 16.257 36.860 32.160 1.00 4.00 H new ATOM 0 H2' DC D 5 13.908 36.762 32.774 1.00 1.00 H new ATOM 0 H2'' DC D 5 13.765 38.507 32.836 1.00 1.00 H new ATOM 0 HO3' DC D 5 16.127 37.855 34.132 1.00 0.00 H new ATOM 0 H1' DC D 5 12.866 38.286 30.698 1.00 4.00 H new ATOM 0 H41 DC D 5 13.314 32.141 28.253 1.00 0.00 H new ATOM 0 H42 DC D 5 11.594 32.507 28.427 1.00 0.00 H new ATOM 0 H5 DC D 5 15.054 33.601 29.109 1.00 0.00 H new ATOM 0 H6 DC D 5 15.519 35.781 30.105 1.00 0.00 H new TER 155 DC D 5 ATOM 156 N ASN A 12 6.700 19.060 13.112 1.00 0.00 N ATOM 157 CA ASN A 12 6.710 20.244 12.235 1.00 4.00 C ATOM 158 C ASN A 12 6.697 21.532 13.056 1.00 0.00 C ATOM 159 O ASN A 12 5.726 21.789 13.763 1.00 0.00 O ATOM 160 CB ASN A 12 5.520 20.219 11.263 1.00 0.00 C ATOM 161 CG ASN A 12 5.362 21.543 10.513 1.00 0.00 C ATOM 162 OD1 ASN A 12 4.482 22.337 10.834 1.00 0.00 O ATOM 163 ND2 ASN A 12 6.215 21.792 9.520 1.00 0.00 N ATOM 0 HA ASN A 12 7.631 20.217 11.652 1.00 4.00 H new ATOM 0 HB2 ASN A 12 5.656 19.410 10.545 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.605 20.004 11.816 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.149 22.666 8.998 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.934 21.108 9.281 1.00 0.00 H new ATOM 172 N VAL A 13 7.778 22.318 12.970 1.00 0.00 N ATOM 173 CA VAL A 13 7.874 23.637 13.589 1.00 4.00 C ATOM 174 C VAL A 13 8.567 24.591 12.624 1.00 0.00 C ATOM 175 O VAL A 13 8.030 25.611 12.203 1.00 0.00 O ATOM 176 CB VAL A 13 8.515 23.631 15.006 1.00 0.00 C ATOM 177 CG1 VAL A 13 7.954 22.562 15.939 1.00 0.00 C ATOM 178 CG2 VAL A 13 10.030 23.437 15.095 1.00 0.00 C ATOM 0 H VAL A 13 8.619 22.048 12.461 1.00 0.00 H new ATOM 0 HA VAL A 13 6.860 23.993 13.774 1.00 4.00 H new ATOM 0 HB VAL A 13 8.255 24.647 15.304 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.453 22.625 16.906 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.884 22.720 16.072 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.124 21.576 15.506 1.00 0.00 H new ATOM 0 HG21 VAL A 13 10.338 23.454 16.140 1.00 0.00 H new ATOM 0 HG22 VAL A 13 10.301 22.478 14.653 1.00 0.00 H new ATOM 0 HG23 VAL A 13 10.532 24.240 14.555 1.00 0.00 H new ATOM 188 N LYS A 14 9.761 24.148 12.276 1.00 0.00 N ATOM 189 CA LYS A 14 10.818 24.752 11.491 1.00 4.00 C ATOM 190 C LYS A 14 11.516 25.778 12.390 1.00 0.00 C ATOM 191 O LYS A 14 10.968 26.829 12.720 1.00 0.00 O ATOM 192 CB LYS A 14 10.382 25.242 10.098 1.00 0.00 C ATOM 193 CG LYS A 14 10.109 26.742 9.991 1.00 0.00 C ATOM 194 CD LYS A 14 9.544 27.129 8.623 1.00 0.00 C ATOM 195 CE LYS A 14 9.306 28.645 8.573 1.00 0.00 C ATOM 196 NZ LYS A 14 8.781 29.074 7.265 1.00 0.00 N ATOM 0 H LYS A 14 10.050 23.220 12.585 1.00 0.00 H new ATOM 0 HA LYS A 14 11.551 24.001 11.197 1.00 4.00 H new ATOM 0 HB2 LYS A 14 11.157 24.978 9.379 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.480 24.703 9.807 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.406 27.038 10.770 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.033 27.292 10.170 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.237 26.834 7.835 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.610 26.598 8.441 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.604 28.929 9.357 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.241 29.167 8.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.633 30.103 7.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.462 28.826 6.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.876 28.596 7.080 1.00 0.00 H new ATOM 210 N CYS A 15 12.709 25.397 12.843 1.00 0.00 N ATOM 211 CA CYS A 15 13.566 26.085 13.785 1.00 4.00 C ATOM 212 C CYS A 15 13.782 27.544 13.388 1.00 0.00 C ATOM 213 O CYS A 15 14.225 27.818 12.276 1.00 0.00 O ATOM 214 CB CYS A 15 14.879 25.295 13.827 1.00 0.00 C ATOM 215 SG CYS A 15 16.317 26.119 14.504 1.00 0.00 S ATOM 0 H CYS A 15 13.130 24.523 12.528 1.00 0.00 H new ATOM 0 HA CYS A 15 13.111 26.125 14.775 1.00 4.00 H new ATOM 0 HB2 CYS A 15 14.707 24.388 14.406 1.00 0.00 H new ATOM 0 HB3 CYS A 15 15.117 24.984 12.810 1.00 0.00 H new ATOM 220 N PHE A 16 13.497 28.487 14.296 1.00 0.00 N ATOM 221 CA PHE A 16 13.719 29.912 14.066 1.00 4.00 C ATOM 222 C PHE A 16 15.195 30.282 14.273 1.00 0.00 C ATOM 223 O PHE A 16 15.512 31.257 14.952 1.00 0.00 O ATOM 224 CB PHE A 16 12.794 30.738 14.974 1.00 0.00 C ATOM 225 CG PHE A 16 11.293 30.664 14.734 1.00 0.00 C ATOM 226 CD1 PHE A 16 10.744 30.139 13.545 1.00 0.00 C ATOM 227 CD2 PHE A 16 10.431 31.179 15.720 1.00 0.00 C ATOM 228 CE1 PHE A 16 9.358 30.202 13.319 1.00 0.00 C ATOM 229 CE2 PHE A 16 9.047 31.253 15.489 1.00 0.00 C ATOM 230 CZ PHE A 16 8.510 30.773 14.283 1.00 0.00 C ATOM 0 H PHE A 16 13.104 28.277 15.214 1.00 0.00 H new ATOM 0 HA PHE A 16 13.476 30.144 13.029 1.00 4.00 H new ATOM 0 HB2 PHE A 16 12.981 30.434 16.004 1.00 0.00 H new ATOM 0 HB3 PHE A 16 13.093 31.783 14.891 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.390 29.688 12.807 1.00 0.00 H new ATOM 0 HD2 PHE A 16 10.836 31.520 16.661 1.00 0.00 H new ATOM 0 HE1 PHE A 16 8.944 29.810 12.402 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.396 31.679 16.238 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.448 30.843 14.097 1.00 0.00 H new ATOM 240 N ASN A 17 16.102 29.516 13.658 1.00 0.00 N ATOM 241 CA ASN A 17 17.532 29.767 13.644 1.00 4.00 C ATOM 242 C ASN A 17 18.104 29.178 12.354 1.00 0.00 C ATOM 243 O ASN A 17 18.412 29.923 11.425 1.00 0.00 O ATOM 244 CB ASN A 17 18.189 29.192 14.906 1.00 0.00 C ATOM 245 CG ASN A 17 19.679 29.505 14.981 1.00 0.00 C ATOM 246 OD1 ASN A 17 20.140 30.513 14.451 1.00 0.00 O ATOM 247 ND2 ASN A 17 20.439 28.636 15.647 1.00 0.00 N ATOM 0 H ASN A 17 15.843 28.676 13.140 1.00 0.00 H new ATOM 0 HA ASN A 17 17.741 30.837 13.657 1.00 4.00 H new ATOM 0 HB2 ASN A 17 17.691 29.596 15.787 1.00 0.00 H new ATOM 0 HB3 ASN A 17 18.046 28.112 14.926 1.00 0.00 H new ATOM 0 HD21 ASN A 17 21.443 28.796 15.731 1.00 0.00 H new ATOM 0 HD22 ASN A 17 20.017 27.811 16.073 1.00 0.00 H new ATOM 254 N CYS A 18 18.216 27.845 12.293 1.00 0.00 N ATOM 255 CA CYS A 18 18.703 27.110 11.136 1.00 4.00 C ATOM 256 C CYS A 18 17.583 26.866 10.114 1.00 0.00 C ATOM 257 O CYS A 18 17.823 27.043 8.921 1.00 0.00 O ATOM 258 CB CYS A 18 19.428 25.822 11.555 1.00 0.00 C ATOM 259 SG CYS A 18 18.442 24.334 11.878 1.00 0.00 S ATOM 0 H CYS A 18 17.961 27.238 13.072 1.00 0.00 H new ATOM 0 HA CYS A 18 19.446 27.727 10.631 1.00 4.00 H new ATOM 0 HB2 CYS A 18 20.148 25.579 10.773 1.00 0.00 H new ATOM 0 HB3 CYS A 18 19.999 26.042 12.457 1.00 0.00 H new ATOM 264 N GLY A 19 16.369 26.492 10.560 1.00 0.00 N ATOM 265 CA GLY A 19 15.203 26.328 9.686 1.00 4.00 C ATOM 266 C GLY A 19 14.689 24.892 9.588 1.00 0.00 C ATOM 267 O GLY A 19 13.671 24.666 8.938 1.00 0.00 O ATOM 0 H GLY A 19 16.174 26.295 11.542 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.398 26.966 10.050 1.00 4.00 H new ATOM 0 HA3 GLY A 19 15.460 26.679 8.687 1.00 4.00 H new ATOM 271 N LYS A 20 15.366 23.915 10.201 1.00 0.00 N ATOM 272 CA LYS A 20 14.975 22.523 10.119 1.00 4.00 C ATOM 273 C LYS A 20 13.784 22.216 10.993 1.00 0.00 C ATOM 274 O LYS A 20 13.557 22.826 12.032 1.00 0.00 O ATOM 275 CB LYS A 20 16.095 21.638 10.619 1.00 0.00 C ATOM 276 CG LYS A 20 17.308 21.671 9.721 1.00 0.00 C ATOM 277 CD LYS A 20 17.071 21.110 8.317 1.00 0.00 C ATOM 278 CE LYS A 20 18.415 20.925 7.605 1.00 0.00 C ATOM 279 NZ LYS A 20 18.238 20.395 6.243 1.00 0.00 N ATOM 0 H LYS A 20 16.200 24.078 10.766 1.00 0.00 H new ATOM 0 HA LYS A 20 14.735 22.336 9.072 1.00 4.00 H new ATOM 0 HB2 LYS A 20 16.382 21.954 11.622 1.00 0.00 H new ATOM 0 HB3 LYS A 20 15.734 20.612 10.698 1.00 0.00 H new ATOM 0 HG2 LYS A 20 17.652 22.701 9.634 1.00 0.00 H new ATOM 0 HG3 LYS A 20 18.111 21.106 10.194 1.00 0.00 H new ATOM 0 HD2 LYS A 20 16.546 20.157 8.379 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.436 21.787 7.746 1.00 0.00 H new ATOM 0 HE2 LYS A 20 18.938 21.880 7.559 1.00 0.00 H new ATOM 0 HE3 LYS A 20 19.043 20.246 8.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 19.168 20.282 5.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.761 19.472 6.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.660 21.056 5.686 1.00 0.00 H new ATOM 293 N GLU A 21 13.061 21.204 10.543 1.00 0.00 N ATOM 294 CA GLU A 21 11.860 20.725 11.205 1.00 4.00 C ATOM 295 C GLU A 21 12.223 19.767 12.333 1.00 0.00 C ATOM 296 O GLU A 21 13.352 19.285 12.428 1.00 0.00 O ATOM 297 CB GLU A 21 10.906 20.086 10.191 1.00 0.00 C ATOM 298 CG GLU A 21 10.100 21.160 9.452 1.00 0.00 C ATOM 299 CD GLU A 21 9.145 20.505 8.461 1.00 0.00 C ATOM 300 OE1 GLU A 21 8.183 19.870 8.947 1.00 0.00 O ATOM 301 OE2 GLU A 21 9.395 20.643 7.245 1.00 0.00 O ATOM 0 H GLU A 21 13.295 20.686 9.696 1.00 0.00 H new ATOM 0 HA GLU A 21 11.337 21.571 11.651 1.00 4.00 H new ATOM 0 HB2 GLU A 21 11.474 19.493 9.474 1.00 0.00 H new ATOM 0 HB3 GLU A 21 10.228 19.403 10.703 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.539 21.762 10.167 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.775 21.836 8.927 1.00 0.00 H new ATOM 308 N GLY A 22 11.242 19.517 13.204 1.00 0.00 N ATOM 309 CA GLY A 22 11.365 18.582 14.304 1.00 4.00 C ATOM 310 C GLY A 22 12.124 19.151 15.503 1.00 0.00 C ATOM 311 O GLY A 22 12.274 18.432 16.489 1.00 0.00 O ATOM 0 H GLY A 22 10.329 19.970 13.156 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.369 18.277 14.625 1.00 4.00 H new ATOM 0 HA3 GLY A 22 11.875 17.685 13.953 1.00 4.00 H new ATOM 315 N HIS A 23 12.600 20.408 15.455 1.00 0.00 N ATOM 316 CA HIS A 23 13.227 21.017 16.617 1.00 4.00 C ATOM 317 C HIS A 23 13.076 22.531 16.582 1.00 0.00 C ATOM 318 O HIS A 23 12.908 23.105 15.508 1.00 0.00 O ATOM 319 CB HIS A 23 14.695 20.601 16.783 1.00 0.00 C ATOM 320 CG HIS A 23 15.619 21.235 15.781 1.00 0.00 C ATOM 321 ND1 HIS A 23 16.086 20.614 14.647 1.00 0.00 N ATOM 322 CD2 HIS A 23 16.192 22.478 15.746 1.00 0.00 C ATOM 323 CE1 HIS A 23 16.908 21.497 14.055 1.00 0.00 C ATOM 324 NE2 HIS A 23 16.972 22.715 14.617 1.00 0.00 N ATOM 0 H HIS A 23 12.559 21.007 14.630 1.00 0.00 H new ATOM 0 HA HIS A 23 12.703 20.642 17.496 1.00 4.00 H new ATOM 0 HB2 HIS A 23 15.027 20.864 17.787 1.00 0.00 H new ATOM 0 HB3 HIS A 23 14.768 19.517 16.697 1.00 0.00 H new ATOM 0 HD1 HIS A 23 15.856 19.675 14.322 1.00 0.00 H new ATOM 0 HD2 HIS A 23 16.051 23.211 16.526 1.00 0.00 H new ATOM 0 HE1 HIS A 23 17.484 21.242 13.178 1.00 0.00 H new ATOM 332 N THR A 24 13.150 23.165 17.752 1.00 0.00 N ATOM 333 CA THR A 24 13.016 24.601 17.917 1.00 4.00 C ATOM 334 C THR A 24 14.400 25.226 18.127 1.00 0.00 C ATOM 335 O THR A 24 15.365 24.531 18.429 1.00 0.00 O ATOM 336 CB THR A 24 12.064 24.870 19.085 1.00 4.00 C ATOM 337 OG1 THR A 24 12.454 24.134 20.225 1.00 0.00 O ATOM 338 CG2 THR A 24 10.622 24.496 18.709 1.00 0.00 C ATOM 0 H THR A 24 13.309 22.675 18.632 1.00 0.00 H new ATOM 0 HA THR A 24 12.592 25.062 17.024 1.00 4.00 H new ATOM 0 HB THR A 24 12.110 25.935 19.312 1.00 4.00 H new ATOM 0 HG1 THR A 24 11.658 23.784 20.677 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.962 24.695 19.554 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.304 25.090 17.852 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.575 23.437 18.454 1.00 0.00 H new ATOM 346 N ALA A 25 14.500 26.547 17.970 1.00 0.00 N ATOM 347 CA ALA A 25 15.750 27.295 18.018 1.00 4.00 C ATOM 348 C ALA A 25 16.570 27.100 19.301 1.00 0.00 C ATOM 349 O ALA A 25 17.786 26.956 19.206 1.00 0.00 O ATOM 350 CB ALA A 25 15.459 28.763 17.718 1.00 0.00 C ATOM 0 H ALA A 25 13.688 27.140 17.801 1.00 0.00 H new ATOM 0 HA ALA A 25 16.404 26.886 17.247 1.00 4.00 H new ATOM 0 HB1 ALA A 25 16.388 29.332 17.751 1.00 0.00 H new ATOM 0 HB2 ALA A 25 15.015 28.851 16.726 1.00 0.00 H new ATOM 0 HB3 ALA A 25 14.766 29.156 18.462 1.00 0.00 H new ATOM 356 N ARG A 26 15.947 27.061 20.490 1.00 0.00 N ATOM 357 CA ARG A 26 16.681 26.770 21.724 1.00 4.00 C ATOM 358 C ARG A 26 17.072 25.287 21.867 1.00 0.00 C ATOM 359 O ARG A 26 17.816 24.949 22.785 1.00 0.00 O ATOM 360 CB ARG A 26 15.946 27.314 22.961 1.00 0.00 C ATOM 361 CG ARG A 26 14.424 27.122 23.012 1.00 0.00 C ATOM 362 CD ARG A 26 14.026 25.656 22.831 1.00 0.00 C ATOM 363 NE ARG A 26 12.629 25.408 23.211 1.00 0.00 N ATOM 364 CZ ARG A 26 12.107 24.177 23.362 1.00 0.00 C ATOM 365 NH1 ARG A 26 12.849 23.093 23.092 1.00 0.00 N ATOM 366 NH2 ARG A 26 10.843 24.021 23.783 1.00 0.00 N ATOM 0 H ARG A 26 14.949 27.226 20.619 1.00 0.00 H new ATOM 0 HA ARG A 26 17.627 27.306 21.653 1.00 4.00 H new ATOM 0 HB2 ARG A 26 16.376 26.842 23.844 1.00 0.00 H new ATOM 0 HB3 ARG A 26 16.155 28.381 23.036 1.00 0.00 H new ATOM 0 HG2 ARG A 26 14.044 27.486 23.967 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.956 27.724 22.233 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.174 25.367 21.790 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.681 25.027 23.433 1.00 0.00 H new ATOM 0 HE ARG A 26 12.022 26.212 23.369 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.811 23.201 22.771 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.451 22.161 23.207 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.270 24.839 23.991 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.455 23.084 23.895 1.00 0.00 H new ATOM 380 N ASN A 27 16.601 24.408 20.970 1.00 0.00 N ATOM 381 CA ASN A 27 16.967 22.994 20.910 1.00 0.00 C ATOM 382 C ASN A 27 18.127 22.785 19.930 1.00 0.00 C ATOM 383 O ASN A 27 18.993 21.939 20.147 1.00 0.00 O ATOM 384 CB ASN A 27 15.755 22.182 20.424 1.00 0.00 C ATOM 385 CG ASN A 27 15.839 20.690 20.742 1.00 0.00 C ATOM 386 OD1 ASN A 27 16.825 20.208 21.294 1.00 0.00 O ATOM 387 ND2 ASN A 27 14.792 19.944 20.387 1.00 0.00 N ATOM 0 H ASN A 27 15.934 24.675 20.246 1.00 0.00 H new ATOM 0 HA ASN A 27 17.273 22.665 21.903 1.00 0.00 H new ATOM 0 HB2 ASN A 27 14.852 22.590 20.878 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.655 22.308 19.346 1.00 0.00 H new ATOM 0 HD21 ASN A 27 14.794 18.941 20.572 1.00 0.00 H new ATOM 0 HD22 ASN A 27 13.989 20.376 19.930 1.00 0.00 H new ATOM 394 N CYS A 28 18.097 23.549 18.832 1.00 0.00 N ATOM 395 CA CYS A 28 18.998 23.482 17.694 1.00 4.00 C ATOM 396 C CYS A 28 20.489 23.448 18.045 1.00 0.00 C ATOM 397 O CYS A 28 20.934 24.031 19.031 1.00 0.00 O ATOM 398 CB CYS A 28 18.690 24.665 16.778 1.00 0.00 C ATOM 399 SG CYS A 28 19.669 24.771 15.263 1.00 0.00 S ATOM 0 H CYS A 28 17.392 24.277 18.715 1.00 0.00 H new ATOM 0 HA CYS A 28 18.817 22.527 17.200 1.00 4.00 H new ATOM 0 HB2 CYS A 28 17.636 24.621 16.503 1.00 0.00 H new ATOM 0 HB3 CYS A 28 18.834 25.585 17.345 1.00 0.00 H new ATOM 404 N ARG A 29 21.238 22.760 17.177 1.00 0.00 N ATOM 405 CA ARG A 29 22.683 22.611 17.169 1.00 4.00 C ATOM 406 C ARG A 29 23.374 23.970 17.109 1.00 0.00 C ATOM 407 O ARG A 29 24.124 24.341 18.010 1.00 0.00 O ATOM 408 CB ARG A 29 23.056 21.794 15.930 1.00 0.00 C ATOM 409 CG ARG A 29 22.571 20.359 16.118 1.00 0.00 C ATOM 410 CD ARG A 29 22.441 19.613 14.784 1.00 0.00 C ATOM 411 NE ARG A 29 21.337 20.152 13.969 1.00 0.00 N ATOM 412 CZ ARG A 29 21.440 21.009 12.935 1.00 0.00 C ATOM 413 NH1 ARG A 29 22.634 21.409 12.471 1.00 0.00 N ATOM 414 NH2 ARG A 29 20.323 21.478 12.365 1.00 0.00 N ATOM 0 H ARG A 29 20.807 22.255 16.403 1.00 0.00 H new ATOM 0 HA ARG A 29 23.006 22.113 18.083 1.00 4.00 H new ATOM 0 HB2 ARG A 29 22.603 22.231 15.040 1.00 0.00 H new ATOM 0 HB3 ARG A 29 24.135 21.810 15.779 1.00 0.00 H new ATOM 0 HG2 ARG A 29 23.266 19.824 16.765 1.00 0.00 H new ATOM 0 HG3 ARG A 29 21.606 20.367 16.624 1.00 0.00 H new ATOM 0 HD2 ARG A 29 23.376 19.692 14.229 1.00 0.00 H new ATOM 0 HD3 ARG A 29 22.271 18.553 14.974 1.00 0.00 H new ATOM 0 HE ARG A 29 20.396 19.843 14.214 1.00 0.00 H new ATOM 0 HH11 ARG A 29 23.491 21.063 12.903 1.00 0.00 H new ATOM 0 HH12 ARG A 29 22.685 22.059 11.686 1.00 0.00 H new ATOM 0 HH21 ARG A 29 19.411 21.186 12.715 1.00 0.00 H new ATOM 0 HH22 ARG A 29 20.385 22.128 11.581 1.00 0.00 H new ATOM 428 N ALA A 30 23.131 24.677 16.000 1.00 0.00 N ATOM 429 CA ALA A 30 23.737 25.961 15.672 1.00 4.00 C ATOM 430 C ALA A 30 23.412 27.011 16.740 1.00 0.00 C ATOM 431 O ALA A 30 22.351 26.943 17.361 1.00 0.00 O ATOM 432 CB ALA A 30 23.239 26.437 14.302 1.00 0.00 C ATOM 0 H ALA A 30 22.482 24.354 15.283 1.00 0.00 H new ATOM 0 HA ALA A 30 24.819 25.831 15.640 1.00 4.00 H new ATOM 0 HB1 ALA A 30 23.696 27.397 14.062 1.00 0.00 H new ATOM 0 HB2 ALA A 30 23.512 25.706 13.541 1.00 0.00 H new ATOM 0 HB3 ALA A 30 22.155 26.547 14.327 1.00 0.00 H new ATOM 438 N PRO A 31 24.299 27.996 16.955 1.00 0.00 N ATOM 439 CA PRO A 31 24.069 29.062 17.909 1.00 4.00 C ATOM 440 C PRO A 31 23.000 30.004 17.377 1.00 0.00 C ATOM 441 O PRO A 31 22.800 30.112 16.168 1.00 0.00 O ATOM 442 CB PRO A 31 25.405 29.776 18.087 1.00 0.00 C ATOM 443 CG PRO A 31 26.140 29.500 16.773 1.00 0.00 C ATOM 444 CD PRO A 31 25.563 28.177 16.264 1.00 0.00 C ATOM 0 HA PRO A 31 23.712 28.684 18.867 1.00 4.00 H new ATOM 0 HB2 PRO A 31 25.269 30.845 18.253 1.00 0.00 H new ATOM 0 HB3 PRO A 31 25.956 29.388 18.944 1.00 0.00 H new ATOM 0 HG2 PRO A 31 25.978 30.303 16.054 1.00 0.00 H new ATOM 0 HG3 PRO A 31 27.216 29.426 16.931 1.00 0.00 H new ATOM 0 HD2 PRO A 31 25.416 28.206 15.184 1.00 0.00 H new ATOM 0 HD3 PRO A 31 26.242 27.350 16.471 1.00 0.00 H new ATOM 452 N ARG A 32 22.321 30.691 18.297 1.00 0.00 N ATOM 453 CA ARG A 32 21.193 31.545 17.975 1.00 4.00 C ATOM 454 C ARG A 32 21.646 32.972 17.672 1.00 0.00 C ATOM 455 O ARG A 32 22.788 33.358 17.921 1.00 0.00 O ATOM 456 CB ARG A 32 20.134 31.469 19.086 1.00 0.00 C ATOM 457 CG ARG A 32 20.586 32.036 20.439 1.00 0.00 C ATOM 458 CD ARG A 32 19.508 31.738 21.487 1.00 0.00 C ATOM 459 NE ARG A 32 19.874 32.257 22.812 1.00 0.00 N ATOM 460 CZ ARG A 32 19.265 31.920 23.963 1.00 0.00 C ATOM 461 NH1 ARG A 32 18.318 30.975 23.991 1.00 0.00 N ATOM 462 NH2 ARG A 32 19.595 32.533 25.107 1.00 0.00 N ATOM 0 H ARG A 32 22.546 30.665 19.292 1.00 0.00 H new ATOM 0 HA ARG A 32 20.722 31.183 17.061 1.00 4.00 H new ATOM 0 HB2 ARG A 32 19.245 32.008 18.760 1.00 0.00 H new ATOM 0 HB3 ARG A 32 19.843 30.427 19.222 1.00 0.00 H new ATOM 0 HG2 ARG A 32 21.535 31.590 20.737 1.00 0.00 H new ATOM 0 HG3 ARG A 32 20.750 33.111 20.362 1.00 0.00 H new ATOM 0 HD2 ARG A 32 18.563 32.181 21.172 1.00 0.00 H new ATOM 0 HD3 ARG A 32 19.350 30.661 21.550 1.00 0.00 H new ATOM 0 HE ARG A 32 20.646 32.921 22.863 1.00 0.00 H new ATOM 0 HH11 ARG A 32 18.048 30.498 23.131 1.00 0.00 H new ATOM 0 HH12 ARG A 32 17.866 30.732 24.873 1.00 0.00 H new ATOM 0 HH21 ARG A 32 20.311 33.259 25.108 1.00 0.00 H new ATOM 0 HH22 ARG A 32 19.130 32.274 25.977 1.00 0.00 H new ATOM 476 N LYS A 33 20.707 33.746 17.129 1.00 0.00 N ATOM 477 CA LYS A 33 20.870 35.097 16.636 1.00 4.00 C ATOM 478 C LYS A 33 20.616 36.098 17.767 1.00 0.00 C ATOM 479 O LYS A 33 20.213 35.712 18.865 1.00 0.00 O ATOM 480 CB LYS A 33 19.838 35.255 15.513 1.00 0.00 C ATOM 481 CG LYS A 33 20.060 34.247 14.370 1.00 0.00 C ATOM 482 CD LYS A 33 18.793 34.002 13.540 1.00 0.00 C ATOM 483 CE LYS A 33 19.114 33.170 12.294 1.00 0.00 C ATOM 484 NZ LYS A 33 17.886 32.819 11.559 1.00 0.00 N ATOM 0 H LYS A 33 19.749 33.415 17.018 1.00 0.00 H new ATOM 0 HA LYS A 33 21.879 35.284 16.268 1.00 4.00 H new ATOM 0 HB2 LYS A 33 18.836 35.123 15.922 1.00 0.00 H new ATOM 0 HB3 LYS A 33 19.889 36.269 15.116 1.00 0.00 H new ATOM 0 HG2 LYS A 33 20.852 34.614 13.717 1.00 0.00 H new ATOM 0 HG3 LYS A 33 20.404 33.301 14.788 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.049 33.485 14.147 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.356 34.956 13.244 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.784 33.730 11.642 1.00 0.00 H new ATOM 0 HE3 LYS A 33 19.639 32.261 12.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.871 31.795 11.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 17.055 33.082 12.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 17.864 33.331 10.654 1.00 0.00 H new ATOM 498 N LYS A 34 20.855 37.386 17.494 1.00 0.00 N ATOM 499 CA LYS A 34 20.590 38.485 18.405 1.00 4.00 C ATOM 500 C LYS A 34 19.196 39.065 18.178 1.00 0.00 C ATOM 501 O LYS A 34 18.495 38.666 17.249 1.00 0.00 O ATOM 502 CB LYS A 34 21.647 39.579 18.212 1.00 0.00 C ATOM 503 CG LYS A 34 21.571 40.316 16.862 1.00 0.00 C ATOM 504 CD LYS A 34 22.399 41.609 16.910 1.00 0.00 C ATOM 505 CE LYS A 34 22.136 42.505 15.692 1.00 0.00 C ATOM 506 NZ LYS A 34 20.777 43.085 15.704 1.00 0.00 N ATOM 0 H LYS A 34 21.250 37.692 16.605 1.00 0.00 H new ATOM 0 HA LYS A 34 20.637 38.104 19.425 1.00 4.00 H new ATOM 0 HB2 LYS A 34 21.546 40.309 19.015 1.00 0.00 H new ATOM 0 HB3 LYS A 34 22.636 39.131 18.311 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.941 39.669 16.066 1.00 0.00 H new ATOM 0 HG3 LYS A 34 20.533 40.550 16.626 1.00 0.00 H new ATOM 0 HD2 LYS A 34 22.162 42.158 17.822 1.00 0.00 H new ATOM 0 HD3 LYS A 34 23.459 41.359 16.954 1.00 0.00 H new ATOM 0 HE2 LYS A 34 22.871 43.309 15.670 1.00 0.00 H new ATOM 0 HE3 LYS A 34 22.272 41.924 14.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 20.746 43.909 15.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 20.093 42.372 15.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 20.535 43.382 16.671 1.00 0.00 H new ATOM 520 N GLY A 35 18.848 40.048 19.017 1.00 0.00 N ATOM 521 CA GLY A 35 17.627 40.841 18.947 1.00 4.00 C ATOM 522 C GLY A 35 16.382 40.019 18.611 1.00 0.00 C ATOM 523 O GLY A 35 16.066 39.044 19.286 1.00 0.00 O ATOM 0 H GLY A 35 19.443 40.321 19.799 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.474 41.343 19.903 1.00 4.00 H new ATOM 0 HA3 GLY A 35 17.752 41.620 18.195 1.00 4.00 H new ATOM 527 N CYS A 36 15.722 40.431 17.530 1.00 0.00 N ATOM 528 CA CYS A 36 14.564 39.828 16.888 1.00 4.00 C ATOM 529 C CYS A 36 14.989 38.772 15.853 1.00 0.00 C ATOM 530 O CYS A 36 16.168 38.657 15.530 1.00 0.00 O ATOM 531 CB CYS A 36 13.781 40.989 16.262 1.00 0.00 C ATOM 532 SG CYS A 36 12.299 40.626 15.325 1.00 0.00 S ATOM 0 H CYS A 36 16.015 41.275 17.038 1.00 0.00 H new ATOM 0 HA CYS A 36 13.939 39.288 17.600 1.00 4.00 H new ATOM 0 HB2 CYS A 36 13.504 41.671 17.066 1.00 0.00 H new ATOM 0 HB3 CYS A 36 14.462 41.530 15.605 1.00 0.00 H new ATOM 537 N TRP A 37 14.033 37.969 15.366 1.00 0.00 N ATOM 538 CA TRP A 37 14.216 36.981 14.304 1.00 4.00 C ATOM 539 C TRP A 37 13.475 37.418 13.040 1.00 0.00 C ATOM 540 O TRP A 37 13.961 37.158 11.941 1.00 0.00 O ATOM 541 CB TRP A 37 13.764 35.580 14.754 1.00 0.00 C ATOM 542 CG TRP A 37 14.699 34.801 15.637 1.00 0.00 C ATOM 543 CD1 TRP A 37 16.048 34.883 15.619 1.00 0.00 C ATOM 544 CD2 TRP A 37 14.387 33.810 16.668 1.00 0.00 C ATOM 545 NE1 TRP A 37 16.592 34.037 16.561 1.00 0.00 N ATOM 546 CE2 TRP A 37 15.611 33.359 17.246 1.00 0.00 C ATOM 547 CE3 TRP A 37 13.195 33.266 17.198 1.00 0.00 C ATOM 548 CZ2 TRP A 37 15.652 32.431 18.296 1.00 0.00 C ATOM 549 CZ3 TRP A 37 13.224 32.343 18.263 1.00 0.00 C ATOM 550 CH2 TRP A 37 14.449 31.913 18.795 1.00 0.00 C ATOM 0 H TRP A 37 13.076 37.994 15.717 1.00 0.00 H new ATOM 0 HA TRP A 37 15.281 36.920 14.078 1.00 4.00 H new ATOM 0 HB2 TRP A 37 12.814 35.685 15.279 1.00 0.00 H new ATOM 0 HB3 TRP A 37 13.571 34.986 13.861 1.00 0.00 H new ATOM 0 HD1 TRP A 37 16.618 35.521 14.960 1.00 0.00 H new ATOM 0 HE1 TRP A 37 17.592 33.928 16.728 1.00 0.00 H new ATOM 0 HE3 TRP A 37 12.245 33.563 16.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 16.598 32.120 18.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.299 31.965 18.672 1.00 0.00 H new ATOM 0 HH2 TRP A 37 14.465 31.182 19.590 1.00 0.00 H new ATOM 561 N LYS A 38 12.314 38.071 13.180 1.00 0.00 N ATOM 562 CA LYS A 38 11.565 38.637 12.067 1.00 4.00 C ATOM 563 C LYS A 38 12.442 39.607 11.278 1.00 0.00 C ATOM 564 O LYS A 38 12.844 39.315 10.152 1.00 0.00 O ATOM 565 CB LYS A 38 10.308 39.350 12.591 1.00 0.00 C ATOM 566 CG LYS A 38 9.120 38.402 12.696 1.00 0.00 C ATOM 567 CD LYS A 38 7.890 39.171 13.204 1.00 0.00 C ATOM 568 CE LYS A 38 6.630 38.303 13.297 1.00 0.00 C ATOM 569 NZ LYS A 38 6.758 37.229 14.296 1.00 0.00 N ATOM 0 H LYS A 38 11.868 38.219 14.085 1.00 0.00 H new ATOM 0 HA LYS A 38 11.258 37.832 11.400 1.00 4.00 H new ATOM 0 HB2 LYS A 38 10.517 39.781 13.570 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.056 40.176 11.926 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.908 37.959 11.723 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.355 37.582 13.375 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.110 39.587 14.187 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.695 40.012 12.539 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.777 38.932 13.552 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.422 37.864 12.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.853 36.724 14.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.499 36.563 13.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.013 37.640 15.217 1.00 0.00 H new ATOM 583 N CYS A 39 12.714 40.766 11.881 1.00 0.00 N ATOM 584 CA CYS A 39 13.449 41.856 11.284 1.00 4.00 C ATOM 585 C CYS A 39 14.921 41.834 11.705 1.00 0.00 C ATOM 586 O CYS A 39 15.782 42.136 10.880 1.00 0.00 O ATOM 587 CB CYS A 39 12.743 43.165 11.629 1.00 0.00 C ATOM 588 SG CYS A 39 12.961 43.821 13.300 1.00 0.00 S ATOM 0 H CYS A 39 12.412 40.967 12.834 1.00 0.00 H new ATOM 0 HA CYS A 39 13.461 41.751 10.199 1.00 4.00 H new ATOM 0 HB2 CYS A 39 13.081 43.924 10.924 1.00 0.00 H new ATOM 0 HB3 CYS A 39 11.675 43.025 11.460 1.00 0.00 H new ATOM 593 N GLY A 40 15.220 41.461 12.962 1.00 0.00 N ATOM 594 CA GLY A 40 16.590 41.300 13.439 1.00 4.00 C ATOM 595 C GLY A 40 16.999 42.325 14.496 1.00 0.00 C ATOM 596 O GLY A 40 18.105 42.228 15.029 1.00 0.00 O ATOM 0 H GLY A 40 14.513 41.264 13.670 1.00 0.00 H new ATOM 0 HA2 GLY A 40 16.705 40.299 13.854 1.00 4.00 H new ATOM 0 HA3 GLY A 40 17.271 41.374 12.591 1.00 4.00 H new ATOM 600 N LYS A 41 16.144 43.311 14.800 1.00 0.00 N ATOM 601 CA LYS A 41 16.454 44.395 15.696 1.00 4.00 C ATOM 602 C LYS A 41 16.269 43.974 17.149 1.00 0.00 C ATOM 603 O LYS A 41 15.396 43.180 17.476 1.00 0.00 O ATOM 604 CB LYS A 41 15.522 45.565 15.376 1.00 0.00 C ATOM 605 CG LYS A 41 16.289 46.750 14.815 1.00 0.00 C ATOM 606 CD LYS A 41 15.453 48.024 14.965 1.00 0.00 C ATOM 607 CE LYS A 41 16.224 49.254 14.482 1.00 0.00 C ATOM 608 NZ LYS A 41 15.470 50.487 14.766 1.00 0.00 N ATOM 0 H LYS A 41 15.202 43.364 14.413 1.00 0.00 H new ATOM 0 HA LYS A 41 17.496 44.686 15.562 1.00 4.00 H new ATOM 0 HB2 LYS A 41 14.768 45.245 14.657 1.00 0.00 H new ATOM 0 HB3 LYS A 41 14.993 45.868 16.280 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.238 46.862 15.339 1.00 0.00 H new ATOM 0 HG3 LYS A 41 16.524 46.579 13.764 1.00 0.00 H new ATOM 0 HD2 LYS A 41 14.529 47.924 14.396 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.171 48.156 16.010 1.00 0.00 H new ATOM 0 HE2 LYS A 41 17.196 49.295 14.973 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.411 49.175 13.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 15.903 51.284 14.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.485 50.371 14.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.488 50.678 15.788 1.00 0.00 H new ATOM 622 N GLU A 42 17.091 44.546 18.023 1.00 0.00 N ATOM 623 CA GLU A 42 17.063 44.321 19.454 1.00 4.00 C ATOM 624 C GLU A 42 16.098 45.295 20.132 1.00 0.00 C ATOM 625 O GLU A 42 15.404 46.069 19.470 1.00 0.00 O ATOM 626 CB GLU A 42 18.498 44.348 20.011 1.00 0.00 C ATOM 627 CG GLU A 42 19.441 45.358 19.345 1.00 0.00 C ATOM 628 CD GLU A 42 18.828 46.750 19.211 1.00 0.00 C ATOM 629 OE1 GLU A 42 18.714 47.429 20.253 1.00 0.00 O ATOM 630 OE2 GLU A 42 18.469 47.095 18.063 1.00 0.00 O ATOM 0 H GLU A 42 17.819 45.201 17.739 1.00 0.00 H new ATOM 0 HA GLU A 42 16.670 43.329 19.678 1.00 4.00 H new ATOM 0 HB2 GLU A 42 18.452 44.568 21.078 1.00 0.00 H new ATOM 0 HB3 GLU A 42 18.929 43.352 19.909 1.00 0.00 H new ATOM 0 HG2 GLU A 42 20.360 45.427 19.927 1.00 0.00 H new ATOM 0 HG3 GLU A 42 19.716 44.992 18.356 1.00 0.00 H new ATOM 637 N GLY A 43 16.011 45.195 21.461 1.00 0.00 N ATOM 638 CA GLY A 43 15.073 45.949 22.276 1.00 4.00 C ATOM 639 C GLY A 43 13.814 45.106 22.445 1.00 0.00 C ATOM 640 O GLY A 43 13.384 44.851 23.568 1.00 0.00 O ATOM 0 H GLY A 43 16.607 44.572 22.006 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.511 46.179 23.247 1.00 4.00 H new ATOM 0 HA3 GLY A 43 14.834 46.900 21.801 1.00 4.00 H new ATOM 644 N HIS A 44 13.249 44.660 21.316 1.00 0.00 N ATOM 645 CA HIS A 44 12.114 43.754 21.256 1.00 4.00 C ATOM 646 C HIS A 44 12.591 42.340 20.890 1.00 0.00 C ATOM 647 O HIS A 44 13.766 42.006 21.039 1.00 0.00 O ATOM 648 CB HIS A 44 11.079 44.310 20.266 1.00 0.00 C ATOM 649 CG HIS A 44 11.540 44.317 18.832 1.00 0.00 C ATOM 650 ND1 HIS A 44 12.198 45.361 18.221 1.00 0.00 N ATOM 651 CD2 HIS A 44 11.435 43.378 17.848 1.00 0.00 C ATOM 652 CE1 HIS A 44 12.385 44.990 16.941 1.00 0.00 C ATOM 653 NE2 HIS A 44 11.877 43.794 16.604 1.00 0.00 N ATOM 0 H HIS A 44 13.587 44.934 20.393 1.00 0.00 H new ATOM 0 HA HIS A 44 11.630 43.679 22.230 1.00 4.00 H new ATOM 0 HB2 HIS A 44 10.167 43.718 20.340 1.00 0.00 H new ATOM 0 HB3 HIS A 44 10.823 45.328 20.559 1.00 0.00 H new ATOM 0 HD1 HIS A 44 12.486 46.239 18.652 1.00 0.00 H new ATOM 0 HD2 HIS A 44 11.039 42.389 18.025 1.00 0.00 H new ATOM 0 HE1 HIS A 44 12.909 45.613 16.232 1.00 0.00 H new ATOM 661 N GLN A 45 11.655 41.514 20.417 1.00 0.00 N ATOM 662 CA GLN A 45 11.796 40.106 20.093 1.00 4.00 C ATOM 663 C GLN A 45 10.693 39.795 19.070 1.00 0.00 C ATOM 664 O GLN A 45 9.727 40.545 19.013 1.00 0.00 O ATOM 665 CB GLN A 45 11.627 39.342 21.411 1.00 0.00 C ATOM 666 CG GLN A 45 12.044 37.881 21.305 1.00 0.00 C ATOM 667 CD GLN A 45 12.221 37.271 22.694 1.00 0.00 C ATOM 668 OE1 GLN A 45 11.322 37.338 23.526 1.00 0.00 O ATOM 669 NE2 GLN A 45 13.391 36.688 22.957 1.00 0.00 N ATOM 0 H GLN A 45 10.707 41.846 20.239 1.00 0.00 H new ATOM 0 HA GLN A 45 12.757 39.827 19.660 1.00 4.00 H new ATOM 0 HB2 GLN A 45 12.219 39.829 22.186 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.585 39.396 21.725 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.291 37.322 20.749 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.976 37.803 20.746 1.00 0.00 H new ATOM 0 HE21 GLN A 45 14.115 36.651 22.240 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.562 36.279 23.876 1.00 0.00 H new ATOM 678 N MET A 46 10.792 38.732 18.260 1.00 0.00 N ATOM 679 CA MET A 46 9.826 38.451 17.187 1.00 4.00 C ATOM 680 C MET A 46 8.353 38.419 17.612 1.00 0.00 C ATOM 681 O MET A 46 7.476 38.568 16.763 1.00 0.00 O ATOM 682 CB MET A 46 10.204 37.170 16.430 1.00 0.00 C ATOM 683 CG MET A 46 10.200 35.900 17.294 1.00 0.00 C ATOM 684 SD MET A 46 8.580 35.133 17.596 1.00 0.00 S ATOM 685 CE MET A 46 9.077 33.719 18.618 1.00 0.00 C ATOM 0 H MET A 46 11.542 38.044 18.329 1.00 0.00 H new ATOM 0 HA MET A 46 9.901 39.311 16.522 1.00 4.00 H new ATOM 0 HB2 MET A 46 9.509 37.034 15.601 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.196 37.297 15.997 1.00 0.00 H new ATOM 0 HG2 MET A 46 10.844 35.161 16.818 1.00 0.00 H new ATOM 0 HG3 MET A 46 10.649 36.141 18.258 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.195 33.140 18.892 1.00 0.00 H new ATOM 0 HE2 MET A 46 9.765 33.088 18.056 1.00 0.00 H new ATOM 0 HE3 MET A 46 9.570 34.078 19.521 1.00 0.00 H new ATOM 695 N LYS A 47 8.070 38.213 18.900 1.00 0.00 N ATOM 696 CA LYS A 47 6.710 38.176 19.423 1.00 4.00 C ATOM 697 C LYS A 47 6.223 39.626 19.537 1.00 0.00 C ATOM 698 O LYS A 47 5.093 39.947 19.175 1.00 0.00 O ATOM 699 CB LYS A 47 6.612 37.447 20.770 1.00 0.00 C ATOM 700 CG LYS A 47 7.910 36.906 21.394 1.00 0.00 C ATOM 701 CD LYS A 47 7.655 35.729 22.351 1.00 0.00 C ATOM 702 CE LYS A 47 8.940 35.380 23.111 1.00 0.00 C ATOM 703 NZ LYS A 47 8.869 34.054 23.749 1.00 0.00 N ATOM 0 H LYS A 47 8.786 38.067 19.611 1.00 0.00 H new ATOM 0 HA LYS A 47 6.077 37.607 18.742 1.00 4.00 H new ATOM 0 HB2 LYS A 47 6.156 38.130 21.487 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.926 36.609 20.647 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.585 36.586 20.601 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.412 37.708 21.935 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.865 35.988 23.056 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.309 34.862 21.789 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.785 35.405 22.423 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.127 36.138 23.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.590 33.989 24.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.926 33.919 24.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.041 33.316 23.036 1.00 0.00 H new ATOM 717 N ASP A 48 7.115 40.485 20.038 1.00 0.00 N ATOM 718 CA ASP A 48 6.918 41.904 20.301 1.00 4.00 C ATOM 719 C ASP A 48 7.113 42.802 19.070 1.00 0.00 C ATOM 720 O ASP A 48 6.603 43.921 19.047 1.00 0.00 O ATOM 721 CB ASP A 48 7.953 42.303 21.357 1.00 0.00 C ATOM 722 CG ASP A 48 7.591 41.774 22.739 1.00 0.00 C ATOM 723 OD1 ASP A 48 7.884 40.582 22.982 1.00 0.00 O ATOM 724 OD2 ASP A 48 7.028 42.566 23.525 1.00 0.00 O ATOM 0 H ASP A 48 8.057 40.182 20.286 1.00 0.00 H new ATOM 0 HA ASP A 48 5.886 42.046 20.623 1.00 4.00 H new ATOM 0 HB2 ASP A 48 8.932 41.921 21.068 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.033 43.389 21.394 1.00 0.00 H new ATOM 729 N CYS A 49 7.870 42.329 18.073 1.00 0.00 N ATOM 730 CA CYS A 49 8.287 43.055 16.879 1.00 4.00 C ATOM 731 C CYS A 49 7.197 43.872 16.183 1.00 0.00 C ATOM 732 O CYS A 49 6.061 43.434 16.014 1.00 0.00 O ATOM 733 CB CYS A 49 8.969 42.092 15.907 1.00 0.00 C ATOM 734 SG CYS A 49 9.511 42.791 14.322 1.00 0.00 S ATOM 0 H CYS A 49 8.226 41.373 18.084 1.00 0.00 H new ATOM 0 HA CYS A 49 8.991 43.812 17.226 1.00 4.00 H new ATOM 0 HB2 CYS A 49 9.838 41.662 16.406 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.282 41.271 15.701 1.00 0.00 H new ATOM 739 N THR A 50 7.617 45.082 15.797 1.00 0.00 N ATOM 740 CA THR A 50 6.853 46.173 15.200 1.00 4.00 C ATOM 741 C THR A 50 7.831 47.319 14.881 1.00 0.00 C ATOM 742 O THR A 50 7.497 48.492 15.048 1.00 0.00 O ATOM 743 CB THR A 50 5.770 46.618 16.199 1.00 4.00 C ATOM 744 OG1 THR A 50 4.985 47.668 15.671 1.00 0.00 O ATOM 745 CG2 THR A 50 6.423 47.059 17.516 1.00 0.00 C ATOM 0 H THR A 50 8.597 45.343 15.908 1.00 0.00 H new ATOM 0 HA THR A 50 6.360 45.863 14.278 1.00 4.00 H new ATOM 0 HB THR A 50 5.113 45.769 16.387 1.00 4.00 H new ATOM 0 HG1 THR A 50 5.571 48.384 15.348 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.650 47.373 18.218 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.983 46.226 17.941 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.100 47.892 17.326 1.00 0.00 H new ATOM 753 N GLU A 51 9.052 46.958 14.465 1.00 0.00 N ATOM 754 CA GLU A 51 10.213 47.782 14.196 1.00 4.00 C ATOM 755 C GLU A 51 9.904 49.245 13.896 1.00 0.00 C ATOM 756 O GLU A 51 10.114 50.107 14.748 1.00 0.00 O ATOM 757 CB GLU A 51 11.061 47.136 13.087 1.00 0.00 C ATOM 758 CG GLU A 51 10.433 46.026 12.228 1.00 0.00 C ATOM 759 CD GLU A 51 9.177 46.475 11.489 1.00 0.00 C ATOM 760 OE1 GLU A 51 9.298 47.436 10.698 1.00 0.00 O ATOM 761 OE2 GLU A 51 8.112 45.875 11.749 1.00 0.00 O ATOM 0 H GLU A 51 9.261 45.974 14.294 1.00 0.00 H new ATOM 0 HA GLU A 51 10.786 47.819 15.123 1.00 4.00 H new ATOM 0 HB2 GLU A 51 11.386 47.930 12.415 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.957 46.726 13.553 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.168 45.677 11.503 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.187 45.177 12.866 1.00 0.00 H new ATOM 768 N ARG A 52 9.423 49.499 12.677 1.00 0.00 N ATOM 769 CA ARG A 52 9.161 50.814 12.127 1.00 4.00 C ATOM 770 C ARG A 52 10.456 51.623 12.196 1.00 0.00 C ATOM 771 O ARG A 52 10.598 52.505 13.042 1.00 0.00 O ATOM 772 CB ARG A 52 7.994 51.488 12.851 1.00 0.00 C ATOM 773 CG ARG A 52 6.686 50.724 12.626 1.00 0.00 C ATOM 774 CD ARG A 52 5.518 51.335 13.410 1.00 0.00 C ATOM 775 NE ARG A 52 5.253 52.731 13.023 1.00 0.00 N ATOM 776 CZ ARG A 52 5.748 53.834 13.617 1.00 0.00 C ATOM 777 NH1 ARG A 52 6.585 53.749 14.661 1.00 0.00 N ATOM 778 NH2 ARG A 52 5.402 55.042 13.153 1.00 0.00 N ATOM 0 H ARG A 52 9.197 48.751 12.021 1.00 0.00 H new ATOM 0 HA ARG A 52 8.853 50.741 11.084 1.00 4.00 H new ATOM 0 HB2 ARG A 52 8.208 51.542 13.919 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.885 52.513 12.496 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.446 50.722 11.563 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.818 49.684 12.925 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.621 50.738 13.245 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.738 51.292 14.477 1.00 0.00 H new ATOM 0 HE ARG A 52 4.633 52.877 12.226 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.860 52.835 15.021 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.947 54.598 15.095 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.769 55.120 12.357 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.771 55.883 13.596 1.00 0.00 H new ATOM 792 N GLN A 53 11.385 51.279 11.295 1.00 0.00 N ATOM 793 CA GLN A 53 12.745 51.797 11.205 1.00 4.00 C ATOM 794 C GLN A 53 13.472 51.686 12.551 1.00 0.00 C ATOM 795 O GLN A 53 14.384 52.506 12.801 1.00 0.00 O ATOM 796 CB GLN A 53 12.798 53.192 10.550 1.00 0.00 C ATOM 797 CG GLN A 53 12.121 54.330 11.325 1.00 0.00 C ATOM 798 CD GLN A 53 12.448 55.692 10.717 1.00 0.00 C ATOM 799 OE1 GLN A 53 13.071 56.533 11.361 1.00 0.00 O ATOM 800 NE2 GLN A 53 12.019 55.919 9.474 1.00 0.00 N ATOM 801 OXT GLN A 53 13.141 50.742 13.304 1.00 0.00 O ATOM 0 H GLN A 53 11.190 50.590 10.569 1.00 0.00 H new ATOM 0 HA GLN A 53 13.309 51.163 10.521 1.00 4.00 H new ATOM 0 HB2 GLN A 53 13.844 53.458 10.394 1.00 0.00 H new ATOM 0 HB3 GLN A 53 12.336 53.126 9.565 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.041 54.180 11.325 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.446 54.307 12.365 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.505 55.195 8.972 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.205 56.816 9.026 1.00 0.00 H new TER 810 GLN A 53 HETATM 811 ZN ZN A 54H 17.838 24.465 14.043 1.00 0.00 ZN HETATM 812 ZN ZN A 55H 11.692 42.792 14.872 1.00 0.00 ZN