USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=11 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 Set 1.1: A 24 THR OG1 : rot -140:sc= 0.263 USER MOD Set 1.2: A 27 ASN : amide:sc= 0.419 K(o=0.68,f=-0.13) USER MOD Single : A 12 ASN : amide:sc= 0.0543 K(o=0.054,f=-2!) USER MOD Single : A 14 LYS NZ :NH3+ -111:sc= -0.357 (180deg=-1.46) USER MOD Single : A 17 ASN : amide:sc= -0.241 K(o=-0.24,f=-1.2) USER MOD Single : A 20 LYS NZ :NH3+ 145:sc= -3.4! (180deg=-8.41!) USER MOD Single : A 33 LYS NZ :NH3+ -175:sc= 0.302 (180deg=0.291) USER MOD Single : A 34 LYS NZ :NH3+ 177:sc= 0.894 (180deg=0.888) USER MOD Single : A 38 LYS NZ :NH3+ 170:sc= 0.798 (180deg=0.718) USER MOD Single : A 41 LYS NZ :NH3+ 155:sc= 0.913 (180deg=0.215) USER MOD Single : A 45 GLN : amide:sc= -0.285 K(o=-0.29,f=-1.2) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 159:sc= 1.21 (180deg=0.775) USER MOD Single : A 50 THR OG1 : rot -42:sc= 0.737 USER MOD Single : A 53 GLN : amide:sc= 0.683 K(o=0.68,f=-0.043) 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 4.246 22.101 18.298 1.00 0.00 O ATOM 2 C5' DA D 1 5.573 22.231 17.829 1.00 1.00 C ATOM 3 C4' DA D 1 5.932 23.697 17.565 1.00 4.00 C ATOM 4 O4' DA D 1 5.131 24.255 16.546 1.00 0.00 O ATOM 5 C3' DA D 1 5.726 24.637 18.754 1.00 4.00 C ATOM 6 O3' DA D 1 6.797 24.572 19.682 1.00 0.00 O ATOM 7 C2' DA D 1 5.629 25.992 18.054 1.00 1.00 C ATOM 8 C1' DA D 1 5.351 25.652 16.584 1.00 4.00 C ATOM 9 N9 DA D 1 4.204 26.410 16.030 1.00 0.00 N ATOM 10 C8 DA D 1 3.089 25.935 15.382 1.00 0.00 C ATOM 11 N7 DA D 1 2.245 26.861 15.018 1.00 0.00 N ATOM 12 C5 DA D 1 2.843 28.041 15.446 1.00 0.00 C ATOM 13 C6 DA D 1 2.459 29.398 15.369 1.00 0.00 C ATOM 14 N6 DA D 1 1.310 29.800 14.810 1.00 0.00 N ATOM 15 N1 DA D 1 3.287 30.329 15.883 1.00 0.00 N ATOM 16 C2 DA D 1 4.428 29.937 16.448 1.00 0.00 C ATOM 17 N3 DA D 1 4.894 28.699 16.592 1.00 0.00 N ATOM 18 C4 DA D 1 4.043 27.779 16.061 1.00 0.00 C ATOM 0 H5' DA D 1 5.694 21.654 16.912 1.00 1.00 H new ATOM 0 H5'' DA D 1 6.262 21.812 18.562 1.00 1.00 H new ATOM 0 H4' DA D 1 6.990 23.637 17.308 1.00 4.00 H new ATOM 0 H3' DA D 1 4.856 24.399 19.366 1.00 4.00 H new ATOM 0 H2' DA D 1 4.830 26.600 18.478 1.00 1.00 H new ATOM 0 H2'' DA D 1 6.553 26.560 18.161 1.00 1.00 H new ATOM 0 HO5' DA D 1 4.046 21.155 18.456 1.00 0.00 H new ATOM 0 H1' DA D 1 6.194 25.939 15.956 1.00 4.00 H new ATOM 0 H8 DA D 1 2.925 24.885 15.190 1.00 0.00 H new ATOM 0 H61 DA D 1 1.078 30.793 14.779 1.00 0.00 H new ATOM 0 H62 DA D 1 0.667 29.113 14.415 1.00 0.00 H new ATOM 0 H2 DA D 1 5.055 30.725 16.839 1.00 0.00 H new ATOM 31 P DC D 2 6.851 25.526 20.991 1.00 4.00 P ATOM 32 OP1 DC D 2 7.696 24.861 22.012 1.00 0.00 O ATOM 33 OP2 DC D 2 5.472 25.930 21.343 1.00 0.00 O ATOM 34 O5' DC D 2 7.636 26.840 20.476 1.00 0.00 O ATOM 35 C5' DC D 2 9.045 26.909 20.543 1.00 1.00 C ATOM 36 C4' DC D 2 9.626 28.056 19.718 1.00 4.00 C ATOM 37 O4' DC D 2 9.265 27.974 18.364 1.00 0.00 O ATOM 38 C3' DC D 2 9.227 29.459 20.177 1.00 4.00 C ATOM 39 O3' DC D 2 10.285 29.924 20.990 1.00 0.00 O ATOM 40 C2' DC D 2 9.088 30.225 18.853 1.00 1.00 C ATOM 41 C1' DC D 2 9.587 29.227 17.806 1.00 4.00 C ATOM 42 N1 DC D 2 8.986 29.406 16.455 1.00 0.00 N ATOM 43 C2 DC D 2 9.428 30.471 15.671 1.00 0.00 C ATOM 44 O2 DC D 2 10.282 31.251 16.089 1.00 0.00 O ATOM 45 N3 DC D 2 8.898 30.620 14.423 1.00 0.00 N ATOM 46 C4 DC D 2 7.996 29.756 13.935 1.00 0.00 C ATOM 47 N4 DC D 2 7.526 29.940 12.695 1.00 0.00 N ATOM 48 C5 DC D 2 7.535 28.648 14.720 1.00 0.00 C ATOM 49 C6 DC D 2 8.047 28.527 15.967 1.00 0.00 C ATOM 0 H5' DC D 2 9.467 25.967 20.193 1.00 1.00 H new ATOM 0 H5'' DC D 2 9.349 27.027 21.583 1.00 1.00 H new ATOM 0 H4' DC D 2 10.698 27.927 19.866 1.00 4.00 H new ATOM 0 H3' DC D 2 8.311 29.548 20.762 1.00 4.00 H new ATOM 0 H2' DC D 2 8.055 30.519 18.666 1.00 1.00 H new ATOM 0 H2'' DC D 2 9.684 31.138 18.853 1.00 1.00 H new ATOM 0 H1' DC D 2 10.652 29.357 17.613 1.00 4.00 H new ATOM 0 H41 DC D 2 6.840 29.292 12.308 1.00 0.00 H new ATOM 0 H42 DC D 2 7.854 30.728 12.137 1.00 0.00 H new ATOM 0 H5 DC D 2 6.813 27.943 14.334 1.00 0.00 H new ATOM 0 H6 DC D 2 7.709 27.717 16.597 1.00 0.00 H new ATOM 61 P DG D 3 10.180 31.202 21.964 1.00 4.00 P ATOM 62 OP1 DG D 3 9.800 30.719 23.311 1.00 0.00 O ATOM 63 OP2 DG D 3 9.373 32.258 21.310 1.00 0.00 O ATOM 64 O5' DG D 3 11.728 31.669 21.999 1.00 0.00 O ATOM 65 C5' DG D 3 12.740 30.721 22.274 1.00 1.00 C ATOM 66 C4' DG D 3 14.133 31.285 22.554 1.00 4.00 C ATOM 67 O4' DG D 3 14.524 32.153 21.518 1.00 0.00 O ATOM 68 C3' DG D 3 14.255 32.077 23.853 1.00 4.00 C ATOM 69 O3' DG D 3 15.581 31.944 24.339 1.00 0.00 O ATOM 70 C2' DG D 3 13.940 33.472 23.398 1.00 1.00 C ATOM 71 C1' DG D 3 14.621 33.463 22.033 1.00 4.00 C ATOM 72 N9 DG D 3 13.952 34.379 21.104 1.00 0.00 N ATOM 73 C8 DG D 3 12.611 34.562 20.904 1.00 0.00 C ATOM 74 N7 DG D 3 12.327 35.418 19.966 1.00 0.00 N ATOM 75 C5 DG D 3 13.575 35.839 19.524 1.00 0.00 C ATOM 76 C6 DG D 3 13.909 36.771 18.506 1.00 0.00 C ATOM 77 O6 DG D 3 13.135 37.403 17.796 1.00 0.00 O ATOM 78 N1 DG D 3 15.284 36.914 18.349 1.00 0.00 N ATOM 79 C2 DG D 3 16.230 36.256 19.111 1.00 0.00 C ATOM 80 N2 DG D 3 17.513 36.527 18.863 1.00 0.00 N ATOM 81 N3 DG D 3 15.919 35.373 20.069 1.00 0.00 N ATOM 82 C4 DG D 3 14.578 35.213 20.220 1.00 0.00 C ATOM 0 H5' DG D 3 12.810 30.039 21.427 1.00 1.00 H new ATOM 0 H5'' DG D 3 12.430 30.129 23.135 1.00 1.00 H new ATOM 0 H4' DG D 3 14.769 30.403 22.633 1.00 4.00 H new ATOM 0 H3' DG D 3 13.606 31.758 24.669 1.00 4.00 H new ATOM 0 H2' DG D 3 12.868 33.656 23.328 1.00 1.00 H new ATOM 0 H2'' DG D 3 14.351 34.231 24.064 1.00 1.00 H new ATOM 0 H1' DG D 3 15.658 33.781 22.144 1.00 4.00 H new ATOM 0 H8 DG D 3 11.855 34.042 21.474 1.00 0.00 H new ATOM 0 H1 DG D 3 15.616 37.548 17.622 1.00 0.00 H new ATOM 0 H21 DG D 3 18.245 36.064 19.402 1.00 0.00 H new ATOM 0 H22 DG D 3 17.761 37.197 18.135 1.00 0.00 H new ATOM 94 P DC D 4 15.975 32.195 25.885 1.00 4.00 P ATOM 95 OP1 DC D 4 16.342 30.886 26.473 1.00 0.00 O ATOM 96 OP2 DC D 4 14.923 33.026 26.512 1.00 0.00 O ATOM 97 O5' DC D 4 17.307 33.093 25.747 1.00 0.00 O ATOM 98 C5' DC D 4 18.551 32.539 25.356 1.00 1.00 C ATOM 99 C4' DC D 4 19.292 33.520 24.444 1.00 4.00 C ATOM 100 O4' DC D 4 18.505 33.856 23.312 1.00 0.00 O ATOM 101 C3' DC D 4 19.650 34.841 25.120 1.00 4.00 C ATOM 102 O3' DC D 4 20.802 34.723 25.938 1.00 0.00 O ATOM 103 C2' DC D 4 19.899 35.678 23.872 1.00 1.00 C ATOM 104 C1' DC D 4 18.811 35.186 22.914 1.00 4.00 C ATOM 105 N1 DC D 4 17.630 36.093 22.985 1.00 0.00 N ATOM 106 C2 DC D 4 17.726 37.338 22.350 1.00 0.00 C ATOM 107 O2 DC D 4 18.722 37.646 21.698 1.00 0.00 O ATOM 108 N3 DC D 4 16.697 38.220 22.488 1.00 0.00 N ATOM 109 C4 DC D 4 15.609 37.909 23.204 1.00 0.00 C ATOM 110 N4 DC D 4 14.658 38.835 23.354 1.00 0.00 N ATOM 111 C5 DC D 4 15.458 36.616 23.811 1.00 0.00 C ATOM 112 C6 DC D 4 16.488 35.749 23.674 1.00 0.00 C ATOM 0 H5' DC D 4 18.391 31.594 24.836 1.00 1.00 H new ATOM 0 H5'' DC D 4 19.155 32.320 26.237 1.00 1.00 H new ATOM 0 H4' DC D 4 20.207 32.995 24.170 1.00 4.00 H new ATOM 0 H3' DC D 4 18.906 35.242 25.808 1.00 4.00 H new ATOM 0 H2' DC D 4 19.807 36.745 24.075 1.00 1.00 H new ATOM 0 H2'' DC D 4 20.898 35.515 23.468 1.00 1.00 H new ATOM 0 H1' DC D 4 19.135 35.192 21.873 1.00 4.00 H new ATOM 0 H41 DC D 4 13.820 38.622 23.895 1.00 0.00 H new ATOM 0 H42 DC D 4 14.770 39.755 22.928 1.00 0.00 H new ATOM 0 H5 DC D 4 14.563 36.348 24.352 1.00 0.00 H new ATOM 0 H6 DC D 4 16.413 34.766 24.115 1.00 0.00 H new ATOM 124 P DC D 5 21.252 35.896 26.958 1.00 4.00 P ATOM 125 OP1 DC D 5 22.473 35.446 27.663 1.00 0.00 O ATOM 126 OP2 DC D 5 20.066 36.310 27.740 1.00 0.00 O ATOM 127 O5' DC D 5 21.658 37.123 25.997 1.00 0.00 O ATOM 128 C5' DC D 5 22.859 37.112 25.250 1.00 1.00 C ATOM 129 C4' DC D 5 22.923 38.348 24.347 1.00 4.00 C ATOM 130 O4' DC D 5 21.765 38.444 23.537 1.00 0.00 O ATOM 131 C3' DC D 5 22.984 39.664 25.117 1.00 4.00 C ATOM 132 O3' DC D 5 24.288 39.964 25.568 1.00 0.00 O ATOM 133 C2' DC D 5 22.537 40.635 24.033 1.00 1.00 C ATOM 134 C1' DC D 5 21.551 39.806 23.200 1.00 4.00 C ATOM 135 N1 DC D 5 20.141 40.217 23.466 1.00 0.00 N ATOM 136 C2 DC D 5 19.566 41.175 22.628 1.00 0.00 C ATOM 137 O2 DC D 5 20.212 41.677 21.709 1.00 0.00 O ATOM 138 N3 DC D 5 18.274 41.557 22.853 1.00 0.00 N ATOM 139 C4 DC D 5 17.564 41.035 23.864 1.00 0.00 C ATOM 140 N4 DC D 5 16.303 41.444 24.037 1.00 0.00 N ATOM 141 C5 DC D 5 18.140 40.065 24.754 1.00 0.00 C ATOM 142 C6 DC D 5 19.421 39.692 24.515 1.00 0.00 C ATOM 0 H5' DC D 5 22.913 36.206 24.646 1.00 1.00 H new ATOM 0 H5'' DC D 5 23.716 37.098 25.923 1.00 1.00 H new ATOM 0 H4' DC D 5 23.835 38.211 23.766 1.00 4.00 H new ATOM 0 H3' DC D 5 22.385 39.676 26.028 1.00 4.00 H new ATOM 0 H2' DC D 5 22.061 41.519 24.457 1.00 1.00 H new ATOM 0 H2'' DC D 5 23.378 40.982 23.433 1.00 1.00 H new ATOM 0 HO3' DC D 5 24.278 40.815 26.054 1.00 0.00 H new ATOM 0 H1' DC D 5 21.719 39.966 22.135 1.00 4.00 H new ATOM 0 H41 DC D 5 15.743 41.062 24.799 1.00 0.00 H new ATOM 0 H42 DC D 5 15.901 42.138 23.407 1.00 0.00 H new ATOM 0 H5 DC D 5 17.577 39.651 25.577 1.00 0.00 H new ATOM 0 H6 DC D 5 19.888 38.965 25.163 1.00 0.00 H new TER 155 DC D 5 ATOM 156 N ASN A 12 7.925 19.365 9.866 1.00 0.00 N ATOM 157 CA ASN A 12 6.834 20.355 9.796 1.00 4.00 C ATOM 158 C ASN A 12 7.362 21.789 9.930 1.00 0.00 C ATOM 159 O ASN A 12 7.286 22.550 8.969 1.00 0.00 O ATOM 160 CB ASN A 12 5.696 20.037 10.787 1.00 0.00 C ATOM 161 CG ASN A 12 6.134 19.933 12.250 1.00 0.00 C ATOM 162 OD1 ASN A 12 7.319 19.807 12.551 1.00 0.00 O ATOM 163 ND2 ASN A 12 5.170 19.978 13.171 1.00 0.00 N ATOM 0 HA ASN A 12 6.392 20.282 8.802 1.00 4.00 H new ATOM 0 HB2 ASN A 12 4.933 20.811 10.704 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.229 19.097 10.494 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.406 19.907 14.161 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.196 20.083 12.886 1.00 0.00 H new ATOM 172 N VAL A 13 7.923 22.153 11.092 1.00 0.00 N ATOM 173 CA VAL A 13 8.513 23.467 11.323 1.00 4.00 C ATOM 174 C VAL A 13 9.915 23.537 10.738 1.00 0.00 C ATOM 175 O VAL A 13 10.508 22.517 10.390 1.00 0.00 O ATOM 176 CB VAL A 13 8.561 23.773 12.834 1.00 0.00 C ATOM 177 CG1 VAL A 13 9.585 22.933 13.612 1.00 0.00 C ATOM 178 CG2 VAL A 13 8.872 25.234 13.167 1.00 0.00 C ATOM 0 H VAL A 13 7.977 21.534 11.901 1.00 0.00 H new ATOM 0 HA VAL A 13 7.890 24.212 10.827 1.00 4.00 H new ATOM 0 HB VAL A 13 7.547 23.520 13.143 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.556 23.209 14.666 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.343 21.875 13.507 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.583 23.118 13.216 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.887 25.365 14.249 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.845 25.502 12.755 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.105 25.877 12.734 1.00 0.00 H new ATOM 188 N LYS A 14 10.422 24.766 10.674 1.00 0.00 N ATOM 189 CA LYS A 14 11.785 25.099 10.293 1.00 4.00 C ATOM 190 C LYS A 14 12.288 26.030 11.402 1.00 0.00 C ATOM 191 O LYS A 14 11.609 26.987 11.772 1.00 0.00 O ATOM 192 CB LYS A 14 11.940 25.625 8.860 1.00 0.00 C ATOM 193 CG LYS A 14 11.822 27.140 8.711 1.00 0.00 C ATOM 194 CD LYS A 14 11.593 27.575 7.256 1.00 0.00 C ATOM 195 CE LYS A 14 12.709 27.173 6.279 1.00 0.00 C ATOM 196 NZ LYS A 14 12.602 25.775 5.814 1.00 0.00 N ATOM 0 H LYS A 14 9.866 25.591 10.897 1.00 0.00 H new ATOM 0 HA LYS A 14 12.412 24.210 10.229 1.00 4.00 H new ATOM 0 HB2 LYS A 14 12.912 25.312 8.478 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.184 25.154 8.232 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.998 27.499 9.327 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.730 27.610 9.088 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.653 27.147 6.907 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.479 28.659 7.229 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.684 27.839 5.416 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.675 27.315 6.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.383 25.216 6.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.694 25.374 6.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.653 25.750 4.776 1.00 0.00 H new ATOM 210 N CYS A 15 13.443 25.699 11.977 1.00 0.00 N ATOM 211 CA CYS A 15 14.023 26.382 13.125 1.00 4.00 C ATOM 212 C CYS A 15 14.559 27.760 12.722 1.00 0.00 C ATOM 213 O CYS A 15 15.323 27.869 11.767 1.00 0.00 O ATOM 214 CB CYS A 15 15.111 25.465 13.687 1.00 0.00 C ATOM 215 SG CYS A 15 16.222 26.171 14.899 1.00 0.00 S ATOM 0 H CYS A 15 14.016 24.924 11.644 1.00 0.00 H new ATOM 0 HA CYS A 15 13.276 26.573 13.896 1.00 4.00 H new ATOM 0 HB2 CYS A 15 14.625 24.599 14.137 1.00 0.00 H new ATOM 0 HB3 CYS A 15 15.709 25.098 12.853 1.00 0.00 H new ATOM 220 N PHE A 16 14.152 28.816 13.437 1.00 0.00 N ATOM 221 CA PHE A 16 14.583 30.185 13.159 1.00 4.00 C ATOM 222 C PHE A 16 16.077 30.383 13.452 1.00 0.00 C ATOM 223 O PHE A 16 16.703 31.275 12.879 1.00 0.00 O ATOM 224 CB PHE A 16 13.708 31.183 13.939 1.00 0.00 C ATOM 225 CG PHE A 16 12.380 31.566 13.297 1.00 0.00 C ATOM 226 CD1 PHE A 16 11.766 30.762 12.313 1.00 0.00 C ATOM 227 CD2 PHE A 16 11.758 32.766 13.689 1.00 0.00 C ATOM 228 CE1 PHE A 16 10.588 31.197 11.678 1.00 0.00 C ATOM 229 CE2 PHE A 16 10.564 33.186 13.075 1.00 0.00 C ATOM 230 CZ PHE A 16 9.988 32.410 12.054 1.00 0.00 C ATOM 0 H PHE A 16 13.512 28.741 14.227 1.00 0.00 H new ATOM 0 HA PHE A 16 14.451 30.376 12.094 1.00 4.00 H new ATOM 0 HB2 PHE A 16 13.503 30.761 14.923 1.00 0.00 H new ATOM 0 HB3 PHE A 16 14.286 32.093 14.097 1.00 0.00 H new ATOM 0 HD1 PHE A 16 12.201 29.810 12.047 1.00 0.00 H new ATOM 0 HD2 PHE A 16 12.201 33.369 14.468 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.144 30.596 10.899 1.00 0.00 H new ATOM 0 HE2 PHE A 16 10.090 34.105 13.388 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.088 32.745 11.561 1.00 0.00 H new ATOM 240 N ASN A 17 16.654 29.549 14.325 1.00 0.00 N ATOM 241 CA ASN A 17 18.069 29.571 14.654 1.00 4.00 C ATOM 242 C ASN A 17 18.909 28.964 13.522 1.00 0.00 C ATOM 243 O ASN A 17 19.543 29.701 12.771 1.00 0.00 O ATOM 244 CB ASN A 17 18.285 28.856 15.996 1.00 0.00 C ATOM 245 CG ASN A 17 19.731 28.865 16.468 1.00 0.00 C ATOM 246 OD1 ASN A 17 20.595 29.501 15.867 1.00 0.00 O ATOM 247 ND2 ASN A 17 19.984 28.138 17.554 1.00 0.00 N ATOM 0 H ASN A 17 16.134 28.830 14.827 1.00 0.00 H new ATOM 0 HA ASN A 17 18.406 30.602 14.760 1.00 4.00 H new ATOM 0 HB2 ASN A 17 17.662 29.330 16.754 1.00 0.00 H new ATOM 0 HB3 ASN A 17 17.948 27.823 15.906 1.00 0.00 H new ATOM 0 HD21 ASN A 17 20.933 28.090 17.926 1.00 0.00 H new ATOM 0 HD22 ASN A 17 19.229 27.629 18.014 1.00 0.00 H new ATOM 254 N CYS A 18 18.940 27.631 13.420 1.00 0.00 N ATOM 255 CA CYS A 18 19.776 26.900 12.477 1.00 4.00 C ATOM 256 C CYS A 18 19.094 26.679 11.117 1.00 0.00 C ATOM 257 O CYS A 18 19.727 26.890 10.084 1.00 0.00 O ATOM 258 CB CYS A 18 20.247 25.584 13.105 1.00 0.00 C ATOM 259 SG CYS A 18 19.042 24.233 13.172 1.00 0.00 S ATOM 0 H CYS A 18 18.370 27.022 14.006 1.00 0.00 H new ATOM 0 HA CYS A 18 20.650 27.516 12.265 1.00 4.00 H new ATOM 0 HB2 CYS A 18 21.118 25.235 12.550 1.00 0.00 H new ATOM 0 HB3 CYS A 18 20.580 25.793 14.122 1.00 0.00 H new ATOM 264 N GLY A 19 17.820 26.261 11.104 1.00 0.00 N ATOM 265 CA GLY A 19 17.051 26.078 9.876 1.00 4.00 C ATOM 266 C GLY A 19 17.089 24.667 9.285 1.00 0.00 C ATOM 267 O GLY A 19 17.298 24.496 8.086 1.00 0.00 O ATOM 0 H GLY A 19 17.297 26.041 11.951 1.00 0.00 H new ATOM 0 HA2 GLY A 19 16.013 26.343 10.074 1.00 4.00 H new ATOM 0 HA3 GLY A 19 17.421 26.778 9.127 1.00 4.00 H new ATOM 271 N LYS A 20 16.844 23.656 10.124 1.00 0.00 N ATOM 272 CA LYS A 20 16.677 22.269 9.828 1.00 4.00 C ATOM 273 C LYS A 20 15.148 22.188 9.603 1.00 0.00 C ATOM 274 O LYS A 20 14.475 23.222 9.610 1.00 0.00 O ATOM 275 CB LYS A 20 17.258 21.612 11.109 1.00 0.00 C ATOM 276 CG LYS A 20 16.419 20.547 11.748 1.00 0.00 C ATOM 277 CD LYS A 20 15.039 20.840 12.348 1.00 0.00 C ATOM 278 CE LYS A 20 14.678 22.298 12.645 1.00 0.00 C ATOM 279 NZ LYS A 20 13.379 22.684 12.090 1.00 0.00 N ATOM 0 H LYS A 20 16.752 23.830 11.125 1.00 0.00 H new ATOM 0 HA LYS A 20 17.156 21.791 8.973 1.00 4.00 H new ATOM 0 HB2 LYS A 20 18.228 21.181 10.863 1.00 0.00 H new ATOM 0 HB3 LYS A 20 17.435 22.396 11.845 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.275 19.770 10.997 1.00 0.00 H new ATOM 0 HG3 LYS A 20 17.021 20.112 12.546 1.00 0.00 H new ATOM 0 HD2 LYS A 20 14.287 20.442 11.666 1.00 0.00 H new ATOM 0 HD3 LYS A 20 14.954 20.279 13.279 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.668 22.453 13.724 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.451 22.950 12.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.913 23.357 12.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 13.517 23.131 11.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.783 21.839 11.982 1.00 0.00 H new ATOM 293 N GLU A 21 14.576 21.009 9.350 1.00 0.00 N ATOM 294 CA GLU A 21 13.111 20.832 9.282 1.00 4.00 C ATOM 295 C GLU A 21 12.685 19.667 10.190 1.00 0.00 C ATOM 296 O GLU A 21 13.129 18.534 10.017 1.00 0.00 O ATOM 297 CB GLU A 21 12.566 20.701 7.873 1.00 0.00 C ATOM 298 CG GLU A 21 12.503 22.085 7.207 1.00 0.00 C ATOM 299 CD GLU A 21 12.098 22.034 5.736 1.00 0.00 C ATOM 300 OE1 GLU A 21 11.628 20.961 5.298 1.00 0.00 O ATOM 301 OE2 GLU A 21 12.247 23.087 5.078 1.00 0.00 O ATOM 0 H GLU A 21 15.104 20.152 9.187 1.00 0.00 H new ATOM 0 HA GLU A 21 12.660 21.752 9.653 1.00 4.00 H new ATOM 0 HB2 GLU A 21 13.201 20.035 7.289 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.572 20.254 7.898 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.793 22.709 7.750 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.478 22.565 7.291 1.00 0.00 H new ATOM 308 N GLY A 22 11.934 20.032 11.240 1.00 0.00 N ATOM 309 CA GLY A 22 11.469 19.186 12.343 1.00 4.00 C ATOM 310 C GLY A 22 11.893 19.551 13.799 1.00 0.00 C ATOM 311 O GLY A 22 11.993 18.634 14.610 1.00 0.00 O ATOM 0 H GLY A 22 11.615 20.995 11.345 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.380 19.170 12.310 1.00 4.00 H new ATOM 0 HA3 GLY A 22 11.809 18.169 12.145 1.00 4.00 H new ATOM 315 N HIS A 23 12.151 20.826 14.167 1.00 0.00 N ATOM 316 CA HIS A 23 12.420 21.300 15.544 1.00 4.00 C ATOM 317 C HIS A 23 12.364 22.834 15.575 1.00 0.00 C ATOM 318 O HIS A 23 12.465 23.478 14.535 1.00 0.00 O ATOM 319 CB HIS A 23 13.695 20.807 16.292 1.00 0.00 C ATOM 320 CG HIS A 23 15.018 21.388 15.848 1.00 0.00 C ATOM 321 ND1 HIS A 23 15.997 20.678 15.192 1.00 0.00 N ATOM 322 CD2 HIS A 23 15.609 22.611 16.061 1.00 0.00 C ATOM 323 CE1 HIS A 23 16.892 21.586 14.766 1.00 0.00 C ATOM 324 NE2 HIS A 23 16.768 22.806 15.312 1.00 0.00 N ATOM 0 H HIS A 23 12.179 21.584 13.485 1.00 0.00 H new ATOM 0 HA HIS A 23 11.625 20.819 16.113 1.00 4.00 H new ATOM 0 HB2 HIS A 23 13.570 21.022 17.353 1.00 0.00 H new ATOM 0 HB3 HIS A 23 13.750 19.723 16.190 1.00 0.00 H new ATOM 0 HD1 HIS A 23 16.036 19.668 15.056 1.00 0.00 H new ATOM 0 HD2 HIS A 23 15.213 23.349 16.743 1.00 0.00 H new ATOM 0 HE1 HIS A 23 17.655 21.351 14.038 1.00 0.00 H new ATOM 332 N THR A 24 12.215 23.428 16.760 1.00 0.00 N ATOM 333 CA THR A 24 12.142 24.873 16.953 1.00 4.00 C ATOM 334 C THR A 24 13.353 25.366 17.742 1.00 0.00 C ATOM 335 O THR A 24 14.063 24.581 18.359 1.00 0.00 O ATOM 336 CB THR A 24 10.870 25.206 17.741 1.00 4.00 C ATOM 337 OG1 THR A 24 10.799 24.380 18.888 1.00 0.00 O ATOM 338 CG2 THR A 24 9.592 25.075 16.905 1.00 0.00 C ATOM 0 H THR A 24 12.140 22.903 17.631 1.00 0.00 H new ATOM 0 HA THR A 24 12.128 25.361 15.978 1.00 4.00 H new ATOM 0 HB THR A 24 10.934 26.254 18.035 1.00 4.00 H new ATOM 0 HG1 THR A 24 9.873 24.091 19.026 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.728 25.324 17.520 1.00 0.00 H new ATOM 0 HG22 THR A 24 9.641 25.756 16.056 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.497 24.051 16.544 1.00 0.00 H new ATOM 346 N ALA A 25 13.563 26.684 17.752 1.00 0.00 N ATOM 347 CA ALA A 25 14.685 27.323 18.419 1.00 4.00 C ATOM 348 C ALA A 25 14.849 26.894 19.883 1.00 0.00 C ATOM 349 O ALA A 25 15.980 26.683 20.320 1.00 0.00 O ATOM 350 CB ALA A 25 14.524 28.830 18.282 1.00 0.00 C ATOM 0 H ALA A 25 12.942 27.345 17.285 1.00 0.00 H new ATOM 0 HA ALA A 25 15.606 26.999 17.935 1.00 4.00 H new ATOM 0 HB1 ALA A 25 15.356 29.331 18.776 1.00 0.00 H new ATOM 0 HB2 ALA A 25 14.513 29.100 17.226 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.587 29.139 18.746 1.00 0.00 H new ATOM 356 N ARG A 26 13.748 26.734 20.639 1.00 0.00 N ATOM 357 CA ARG A 26 13.802 26.220 22.005 1.00 4.00 C ATOM 358 C ARG A 26 14.466 24.847 22.083 1.00 0.00 C ATOM 359 O ARG A 26 15.217 24.577 23.018 1.00 0.00 O ATOM 360 CB ARG A 26 12.411 26.170 22.660 1.00 0.00 C ATOM 361 CG ARG A 26 12.038 27.527 23.266 1.00 0.00 C ATOM 362 CD ARG A 26 11.078 27.415 24.457 1.00 0.00 C ATOM 363 NE ARG A 26 9.783 26.820 24.090 1.00 0.00 N ATOM 364 CZ ARG A 26 8.572 27.382 24.266 1.00 0.00 C ATOM 365 NH1 ARG A 26 8.428 28.677 24.578 1.00 0.00 N ATOM 366 NH2 ARG A 26 7.479 26.627 24.114 1.00 0.00 N ATOM 0 H ARG A 26 12.806 26.957 20.317 1.00 0.00 H new ATOM 0 HA ARG A 26 14.418 26.925 22.563 1.00 4.00 H new ATOM 0 HB2 ARG A 26 11.666 25.883 21.918 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.399 25.405 23.437 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.947 28.036 23.587 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.580 28.148 22.496 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.542 26.811 25.237 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.911 28.406 24.878 1.00 0.00 H new ATOM 0 HE ARG A 26 9.805 25.894 23.662 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.251 29.269 24.689 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.495 29.071 24.704 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.570 25.641 23.868 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.554 27.037 24.244 1.00 0.00 H new ATOM 380 N ASN A 27 14.184 23.987 21.105 1.00 0.00 N ATOM 381 CA ASN A 27 14.663 22.639 21.004 1.00 0.00 C ATOM 382 C ASN A 27 16.042 22.588 20.333 1.00 0.00 C ATOM 383 O ASN A 27 16.739 21.584 20.462 1.00 0.00 O ATOM 384 CB ASN A 27 13.608 21.905 20.185 1.00 0.00 C ATOM 385 CG ASN A 27 12.375 21.536 21.005 1.00 0.00 C ATOM 386 OD1 ASN A 27 12.332 20.471 21.616 1.00 0.00 O ATOM 387 ND2 ASN A 27 11.362 22.408 21.009 1.00 0.00 N ATOM 0 H ASN A 27 13.579 24.243 20.325 1.00 0.00 H new ATOM 0 HA ASN A 27 14.801 22.179 21.983 1.00 0.00 H new ATOM 0 HB2 ASN A 27 13.306 22.531 19.345 1.00 0.00 H new ATOM 0 HB3 ASN A 27 14.045 20.998 19.766 1.00 0.00 H new ATOM 0 HD21 ASN A 27 10.512 22.200 21.533 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.439 23.281 20.488 1.00 0.00 H new ATOM 394 N CYS A 28 16.437 23.647 19.616 1.00 0.00 N ATOM 395 CA CYS A 28 17.682 23.676 18.869 1.00 4.00 C ATOM 396 C CYS A 28 18.894 23.668 19.797 1.00 0.00 C ATOM 397 O CYS A 28 18.940 24.403 20.783 1.00 0.00 O ATOM 398 CB CYS A 28 17.734 24.883 17.952 1.00 0.00 C ATOM 399 SG CYS A 28 19.141 24.880 16.822 1.00 0.00 S ATOM 0 H CYS A 28 15.894 24.507 19.543 1.00 0.00 H new ATOM 0 HA CYS A 28 17.716 22.772 18.261 1.00 4.00 H new ATOM 0 HB2 CYS A 28 16.813 24.926 17.370 1.00 0.00 H new ATOM 0 HB3 CYS A 28 17.770 25.788 18.559 1.00 0.00 H new ATOM 404 N ARG A 29 19.880 22.831 19.458 1.00 0.00 N ATOM 405 CA ARG A 29 21.122 22.674 20.189 1.00 4.00 C ATOM 406 C ARG A 29 22.004 23.919 20.082 1.00 0.00 C ATOM 407 O ARG A 29 22.587 24.359 21.071 1.00 0.00 O ATOM 408 CB ARG A 29 21.847 21.440 19.672 1.00 0.00 C ATOM 409 CG ARG A 29 21.070 20.206 20.126 1.00 0.00 C ATOM 410 CD ARG A 29 21.636 18.932 19.493 1.00 0.00 C ATOM 411 NE ARG A 29 20.881 17.750 19.929 1.00 0.00 N ATOM 412 CZ ARG A 29 21.247 16.474 19.715 1.00 0.00 C ATOM 413 NH1 ARG A 29 22.385 16.183 19.065 1.00 0.00 N ATOM 414 NH2 ARG A 29 20.465 15.479 20.157 1.00 0.00 N ATOM 0 H ARG A 29 19.824 22.228 18.637 1.00 0.00 H new ATOM 0 HA ARG A 29 20.895 22.545 21.247 1.00 4.00 H new ATOM 0 HB2 ARG A 29 21.916 21.467 18.585 1.00 0.00 H new ATOM 0 HB3 ARG A 29 22.867 21.410 20.055 1.00 0.00 H new ATOM 0 HG2 ARG A 29 21.112 20.125 21.212 1.00 0.00 H new ATOM 0 HG3 ARG A 29 20.020 20.314 19.855 1.00 0.00 H new ATOM 0 HD2 ARG A 29 21.597 19.013 18.407 1.00 0.00 H new ATOM 0 HD3 ARG A 29 22.685 18.820 19.767 1.00 0.00 H new ATOM 0 HE ARG A 29 20.010 17.910 20.434 1.00 0.00 H new ATOM 0 HH11 ARG A 29 22.985 16.935 18.726 1.00 0.00 H new ATOM 0 HH12 ARG A 29 22.649 15.210 18.910 1.00 0.00 H new ATOM 0 HH21 ARG A 29 19.599 15.692 20.652 1.00 0.00 H new ATOM 0 HH22 ARG A 29 20.736 14.509 19.998 1.00 0.00 H new ATOM 428 N ALA A 30 22.108 24.460 18.864 1.00 0.00 N ATOM 429 CA ALA A 30 22.946 25.601 18.518 1.00 4.00 C ATOM 430 C ALA A 30 22.602 26.838 19.348 1.00 0.00 C ATOM 431 O ALA A 30 21.473 26.966 19.821 1.00 0.00 O ATOM 432 CB ALA A 30 22.751 25.934 17.032 1.00 0.00 C ATOM 0 H ALA A 30 21.589 24.097 18.065 1.00 0.00 H new ATOM 0 HA ALA A 30 23.981 25.330 18.727 1.00 4.00 H new ATOM 0 HB1 ALA A 30 23.375 26.787 16.765 1.00 0.00 H new ATOM 0 HB2 ALA A 30 23.035 25.073 16.426 1.00 0.00 H new ATOM 0 HB3 ALA A 30 21.705 26.178 16.848 1.00 0.00 H new ATOM 438 N PRO A 31 23.549 27.779 19.508 1.00 0.00 N ATOM 439 CA PRO A 31 23.291 29.038 20.177 1.00 4.00 C ATOM 440 C PRO A 31 22.410 29.893 19.275 1.00 0.00 C ATOM 441 O PRO A 31 22.435 29.754 18.055 1.00 0.00 O ATOM 442 CB PRO A 31 24.648 29.687 20.428 1.00 0.00 C ATOM 443 CG PRO A 31 25.567 29.057 19.380 1.00 0.00 C ATOM 444 CD PRO A 31 24.926 27.707 19.046 1.00 0.00 C ATOM 0 HA PRO A 31 22.769 28.912 21.125 1.00 4.00 H new ATOM 0 HB2 PRO A 31 24.598 30.770 20.314 1.00 0.00 H new ATOM 0 HB3 PRO A 31 25.003 29.489 21.439 1.00 0.00 H new ATOM 0 HG2 PRO A 31 25.644 29.687 18.494 1.00 0.00 H new ATOM 0 HG3 PRO A 31 26.577 28.928 19.768 1.00 0.00 H new ATOM 0 HD2 PRO A 31 24.966 27.513 17.974 1.00 0.00 H new ATOM 0 HD3 PRO A 31 25.458 26.893 19.537 1.00 0.00 H new ATOM 452 N ARG A 32 21.626 30.769 19.901 1.00 0.00 N ATOM 453 CA ARG A 32 20.633 31.587 19.219 1.00 4.00 C ATOM 454 C ARG A 32 21.256 32.909 18.762 1.00 0.00 C ATOM 455 O ARG A 32 22.435 33.177 18.993 1.00 0.00 O ATOM 456 CB ARG A 32 19.418 31.780 20.145 1.00 0.00 C ATOM 457 CG ARG A 32 18.835 30.403 20.505 1.00 0.00 C ATOM 458 CD ARG A 32 17.508 30.460 21.266 1.00 0.00 C ATOM 459 NE ARG A 32 17.100 29.092 21.629 1.00 0.00 N ATOM 460 CZ ARG A 32 17.065 28.553 22.862 1.00 0.00 C ATOM 461 NH1 ARG A 32 17.138 29.308 23.966 1.00 0.00 N ATOM 462 NH2 ARG A 32 16.947 27.225 22.986 1.00 0.00 N ATOM 0 H ARG A 32 21.665 30.930 20.907 1.00 0.00 H new ATOM 0 HA ARG A 32 20.282 31.087 18.316 1.00 4.00 H new ATOM 0 HB2 ARG A 32 19.715 32.310 21.050 1.00 0.00 H new ATOM 0 HB3 ARG A 32 18.662 32.391 19.651 1.00 0.00 H new ATOM 0 HG2 ARG A 32 18.690 29.832 19.588 1.00 0.00 H new ATOM 0 HG3 ARG A 32 19.563 29.860 21.108 1.00 0.00 H new ATOM 0 HD2 ARG A 32 17.615 31.071 22.163 1.00 0.00 H new ATOM 0 HD3 ARG A 32 16.741 30.930 20.650 1.00 0.00 H new ATOM 0 HE ARG A 32 16.812 28.486 20.861 1.00 0.00 H new ATOM 0 HH11 ARG A 32 17.223 30.321 23.886 1.00 0.00 H new ATOM 0 HH12 ARG A 32 17.109 28.870 24.887 1.00 0.00 H new ATOM 0 HH21 ARG A 32 16.885 26.639 22.154 1.00 0.00 H new ATOM 0 HH22 ARG A 32 16.919 26.800 23.913 1.00 0.00 H new ATOM 476 N LYS A 33 20.443 33.735 18.099 1.00 0.00 N ATOM 477 CA LYS A 33 20.839 35.008 17.523 1.00 4.00 C ATOM 478 C LYS A 33 20.658 36.116 18.565 1.00 0.00 C ATOM 479 O LYS A 33 20.165 35.865 19.663 1.00 0.00 O ATOM 480 CB LYS A 33 19.930 35.283 16.317 1.00 0.00 C ATOM 481 CG LYS A 33 20.061 34.238 15.198 1.00 0.00 C ATOM 482 CD LYS A 33 19.201 34.623 13.985 1.00 0.00 C ATOM 483 CE LYS A 33 19.650 33.934 12.693 1.00 0.00 C ATOM 484 NZ LYS A 33 19.422 32.480 12.739 1.00 0.00 N ATOM 0 H LYS A 33 19.457 33.522 17.947 1.00 0.00 H new ATOM 0 HA LYS A 33 21.884 34.980 17.213 1.00 4.00 H new ATOM 0 HB2 LYS A 33 18.894 35.315 16.653 1.00 0.00 H new ATOM 0 HB3 LYS A 33 20.165 36.268 15.913 1.00 0.00 H new ATOM 0 HG2 LYS A 33 21.105 34.152 14.896 1.00 0.00 H new ATOM 0 HG3 LYS A 33 19.755 33.260 15.570 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.161 34.364 14.186 1.00 0.00 H new ATOM 0 HD3 LYS A 33 19.240 35.704 13.847 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.109 34.360 11.848 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.709 34.130 12.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 19.816 32.040 11.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.889 32.082 13.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 18.401 32.290 12.788 1.00 0.00 H new ATOM 498 N LYS A 34 21.053 37.343 18.210 1.00 0.00 N ATOM 499 CA LYS A 34 20.858 38.530 19.019 1.00 4.00 C ATOM 500 C LYS A 34 19.565 39.235 18.607 1.00 0.00 C ATOM 501 O LYS A 34 18.908 38.830 17.645 1.00 0.00 O ATOM 502 CB LYS A 34 22.065 39.461 18.883 1.00 0.00 C ATOM 503 CG LYS A 34 22.334 39.924 17.443 1.00 0.00 C ATOM 504 CD LYS A 34 23.255 41.149 17.393 1.00 0.00 C ATOM 505 CE LYS A 34 22.501 42.425 17.794 1.00 0.00 C ATOM 506 NZ LYS A 34 23.351 43.621 17.703 1.00 0.00 N ATOM 0 H LYS A 34 21.528 37.533 17.328 1.00 0.00 H new ATOM 0 HA LYS A 34 20.769 38.244 20.067 1.00 4.00 H new ATOM 0 HB2 LYS A 34 21.909 40.337 19.513 1.00 0.00 H new ATOM 0 HB3 LYS A 34 22.950 38.950 19.261 1.00 0.00 H new ATOM 0 HG2 LYS A 34 22.786 39.108 16.879 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.388 40.162 16.957 1.00 0.00 H new ATOM 0 HD2 LYS A 34 24.102 40.998 18.062 1.00 0.00 H new ATOM 0 HD3 LYS A 34 23.659 41.263 16.387 1.00 0.00 H new ATOM 0 HE2 LYS A 34 21.631 42.549 17.149 1.00 0.00 H new ATOM 0 HE3 LYS A 34 22.130 42.321 18.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 22.789 44.465 17.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 24.141 43.537 18.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 23.726 43.708 16.737 1.00 0.00 H new ATOM 520 N GLY A 35 19.238 40.300 19.345 1.00 0.00 N ATOM 521 CA GLY A 35 18.045 41.127 19.219 1.00 4.00 C ATOM 522 C GLY A 35 16.806 40.336 18.803 1.00 0.00 C ATOM 523 O GLY A 35 16.557 39.249 19.316 1.00 0.00 O ATOM 0 H GLY A 35 19.845 40.625 20.097 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.850 41.620 20.171 1.00 4.00 H new ATOM 0 HA3 GLY A 35 18.230 41.912 18.486 1.00 4.00 H new ATOM 527 N CYS A 36 16.054 40.879 17.845 1.00 0.00 N ATOM 528 CA CYS A 36 14.895 40.269 17.213 1.00 4.00 C ATOM 529 C CYS A 36 15.316 39.341 16.060 1.00 0.00 C ATOM 530 O CYS A 36 16.448 39.407 15.587 1.00 0.00 O ATOM 531 CB CYS A 36 13.975 41.408 16.765 1.00 0.00 C ATOM 532 SG CYS A 36 12.479 40.996 15.863 1.00 0.00 S ATOM 0 H CYS A 36 16.252 41.807 17.472 1.00 0.00 H new ATOM 0 HA CYS A 36 14.356 39.626 17.909 1.00 4.00 H new ATOM 0 HB2 CYS A 36 13.683 41.967 17.654 1.00 0.00 H new ATOM 0 HB3 CYS A 36 14.562 42.083 16.142 1.00 0.00 H new ATOM 537 N TRP A 37 14.414 38.443 15.639 1.00 0.00 N ATOM 538 CA TRP A 37 14.571 37.533 14.507 1.00 4.00 C ATOM 539 C TRP A 37 13.894 38.131 13.274 1.00 0.00 C ATOM 540 O TRP A 37 14.457 38.072 12.182 1.00 0.00 O ATOM 541 CB TRP A 37 13.979 36.145 14.830 1.00 0.00 C ATOM 542 CG TRP A 37 14.798 35.212 15.684 1.00 0.00 C ATOM 543 CD1 TRP A 37 16.151 35.176 15.718 1.00 0.00 C ATOM 544 CD2 TRP A 37 14.360 34.166 16.620 1.00 0.00 C ATOM 545 NE1 TRP A 37 16.584 34.181 16.564 1.00 0.00 N ATOM 546 CE2 TRP A 37 15.524 33.536 17.158 1.00 0.00 C ATOM 547 CE3 TRP A 37 13.112 33.694 17.103 1.00 0.00 C ATOM 548 CZ2 TRP A 37 15.460 32.502 18.099 1.00 0.00 C ATOM 549 CZ3 TRP A 37 13.041 32.671 18.074 1.00 0.00 C ATOM 550 CH2 TRP A 37 14.210 32.064 18.547 1.00 0.00 C ATOM 0 H TRP A 37 13.513 38.330 16.104 1.00 0.00 H new ATOM 0 HA TRP A 37 15.634 37.402 14.305 1.00 4.00 H new ATOM 0 HB2 TRP A 37 13.020 36.297 15.325 1.00 0.00 H new ATOM 0 HB3 TRP A 37 13.773 35.641 13.886 1.00 0.00 H new ATOM 0 HD1 TRP A 37 16.799 35.835 15.160 1.00 0.00 H new ATOM 0 HE1 TRP A 37 17.564 33.951 16.729 1.00 0.00 H new ATOM 0 HE3 TRP A 37 12.199 34.125 16.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 16.365 32.048 18.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.080 32.356 18.453 1.00 0.00 H new ATOM 0 HH2 TRP A 37 14.146 31.255 19.260 1.00 0.00 H new ATOM 561 N LYS A 38 12.693 38.694 13.451 1.00 0.00 N ATOM 562 CA LYS A 38 11.940 39.353 12.394 1.00 4.00 C ATOM 563 C LYS A 38 12.747 40.472 11.741 1.00 0.00 C ATOM 564 O LYS A 38 13.232 40.319 10.622 1.00 0.00 O ATOM 565 CB LYS A 38 10.634 39.923 12.959 1.00 0.00 C ATOM 566 CG LYS A 38 9.501 38.910 13.027 1.00 0.00 C ATOM 567 CD LYS A 38 8.333 39.574 13.762 1.00 0.00 C ATOM 568 CE LYS A 38 7.077 38.701 13.776 1.00 0.00 C ATOM 569 NZ LYS A 38 6.013 39.333 14.577 1.00 0.00 N ATOM 0 H LYS A 38 12.214 38.701 14.352 1.00 0.00 H new ATOM 0 HA LYS A 38 11.718 38.607 11.631 1.00 4.00 H new ATOM 0 HB2 LYS A 38 10.821 40.312 13.960 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.319 40.765 12.343 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.199 38.604 12.025 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.822 38.010 13.552 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.631 39.793 14.787 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.104 40.527 13.286 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.726 38.543 12.756 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.314 37.720 14.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.121 38.817 14.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.275 39.308 15.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.892 40.321 14.275 1.00 0.00 H new ATOM 583 N CYS A 39 12.848 41.606 12.438 1.00 0.00 N ATOM 584 CA CYS A 39 13.467 42.813 11.946 1.00 4.00 C ATOM 585 C CYS A 39 14.960 42.863 12.286 1.00 0.00 C ATOM 586 O CYS A 39 15.750 43.275 11.439 1.00 0.00 O ATOM 587 CB CYS A 39 12.677 44.006 12.483 1.00 0.00 C ATOM 588 SG CYS A 39 12.898 44.426 14.225 1.00 0.00 S ATOM 0 H CYS A 39 12.487 41.700 13.387 1.00 0.00 H new ATOM 0 HA CYS A 39 13.433 42.841 10.857 1.00 4.00 H new ATOM 0 HB2 CYS A 39 12.941 44.881 11.889 1.00 0.00 H new ATOM 0 HB3 CYS A 39 11.618 43.813 12.314 1.00 0.00 H new ATOM 593 N GLY A 40 15.352 42.428 13.495 1.00 0.00 N ATOM 594 CA GLY A 40 16.751 42.353 13.901 1.00 4.00 C ATOM 595 C GLY A 40 17.094 43.277 15.070 1.00 0.00 C ATOM 596 O GLY A 40 18.226 43.239 15.548 1.00 0.00 O ATOM 0 H GLY A 40 14.699 42.119 14.215 1.00 0.00 H new ATOM 0 HA2 GLY A 40 16.987 41.326 14.178 1.00 4.00 H new ATOM 0 HA3 GLY A 40 17.383 42.606 13.050 1.00 4.00 H new ATOM 600 N LYS A 41 16.154 44.114 15.528 1.00 0.00 N ATOM 601 CA LYS A 41 16.407 45.102 16.551 1.00 4.00 C ATOM 602 C LYS A 41 16.327 44.461 17.921 1.00 0.00 C ATOM 603 O LYS A 41 15.506 43.580 18.154 1.00 0.00 O ATOM 604 CB LYS A 41 15.342 46.187 16.455 1.00 0.00 C ATOM 605 CG LYS A 41 15.909 47.531 16.042 1.00 0.00 C ATOM 606 CD LYS A 41 16.658 48.267 17.161 1.00 0.00 C ATOM 607 CE LYS A 41 15.773 49.239 17.957 1.00 0.00 C ATOM 608 NZ LYS A 41 14.658 48.565 18.644 1.00 0.00 N ATOM 0 H LYS A 41 15.193 44.114 15.187 1.00 0.00 H new ATOM 0 HA LYS A 41 17.401 45.525 16.408 1.00 4.00 H new ATOM 0 HB2 LYS A 41 14.582 45.882 15.735 1.00 0.00 H new ATOM 0 HB3 LYS A 41 14.845 46.288 17.420 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.587 47.384 15.201 1.00 0.00 H new ATOM 0 HG3 LYS A 41 15.095 48.163 15.688 1.00 0.00 H new ATOM 0 HD2 LYS A 41 17.084 47.533 17.845 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.491 48.820 16.727 1.00 0.00 H new ATOM 0 HE2 LYS A 41 16.385 49.760 18.693 1.00 0.00 H new ATOM 0 HE3 LYS A 41 15.373 49.995 17.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.362 49.132 19.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.858 48.462 17.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.966 47.625 18.965 1.00 0.00 H new ATOM 622 N GLU A 42 17.155 44.948 18.839 1.00 0.00 N ATOM 623 CA GLU A 42 17.276 44.378 20.154 1.00 4.00 C ATOM 624 C GLU A 42 16.403 45.104 21.173 1.00 0.00 C ATOM 625 O GLU A 42 15.766 46.112 20.861 1.00 0.00 O ATOM 626 CB GLU A 42 18.755 44.267 20.522 1.00 0.00 C ATOM 627 CG GLU A 42 19.633 45.485 20.264 1.00 0.00 C ATOM 628 CD GLU A 42 20.070 45.677 18.811 1.00 0.00 C ATOM 629 OE1 GLU A 42 21.062 45.024 18.419 1.00 0.00 O ATOM 630 OE2 GLU A 42 19.416 46.490 18.124 1.00 0.00 O ATOM 0 H GLU A 42 17.760 45.754 18.680 1.00 0.00 H new ATOM 0 HA GLU A 42 16.880 43.362 20.161 1.00 4.00 H new ATOM 0 HB2 GLU A 42 18.821 44.022 21.582 1.00 0.00 H new ATOM 0 HB3 GLU A 42 19.177 43.425 19.973 1.00 0.00 H new ATOM 0 HG2 GLU A 42 19.094 46.376 20.585 1.00 0.00 H new ATOM 0 HG3 GLU A 42 20.524 45.409 20.888 1.00 0.00 H new ATOM 637 N GLY A 43 16.335 44.527 22.378 1.00 0.00 N ATOM 638 CA GLY A 43 15.476 44.981 23.456 1.00 4.00 C ATOM 639 C GLY A 43 14.240 44.087 23.499 1.00 0.00 C ATOM 640 O GLY A 43 13.905 43.554 24.555 1.00 0.00 O ATOM 0 H GLY A 43 16.894 43.711 22.628 1.00 0.00 H new ATOM 0 HA2 GLY A 43 16.007 44.939 24.407 1.00 4.00 H new ATOM 0 HA3 GLY A 43 15.187 46.020 23.298 1.00 4.00 H new ATOM 644 N HIS A 44 13.593 43.902 22.338 1.00 0.00 N ATOM 645 CA HIS A 44 12.422 43.049 22.164 1.00 4.00 C ATOM 646 C HIS A 44 12.814 41.677 21.590 1.00 0.00 C ATOM 647 O HIS A 44 13.974 41.270 21.661 1.00 0.00 O ATOM 648 CB HIS A 44 11.374 43.796 21.318 1.00 0.00 C ATOM 649 CG HIS A 44 11.734 44.041 19.873 1.00 0.00 C ATOM 650 ND1 HIS A 44 12.359 45.173 19.402 1.00 0.00 N ATOM 651 CD2 HIS A 44 11.524 43.302 18.743 1.00 0.00 C ATOM 652 CE1 HIS A 44 12.429 45.036 18.064 1.00 0.00 C ATOM 653 NE2 HIS A 44 11.910 43.908 17.560 1.00 0.00 N ATOM 0 H HIS A 44 13.884 44.358 21.473 1.00 0.00 H new ATOM 0 HA HIS A 44 11.968 42.835 23.132 1.00 4.00 H new ATOM 0 HB2 HIS A 44 10.443 43.230 21.348 1.00 0.00 H new ATOM 0 HB3 HIS A 44 11.176 44.759 21.790 1.00 0.00 H new ATOM 0 HD1 HIS A 44 12.701 45.959 19.956 1.00 0.00 H new ATOM 0 HD2 HIS A 44 11.088 42.315 18.771 1.00 0.00 H new ATOM 0 HE1 HIS A 44 12.877 45.791 17.434 1.00 0.00 H new ATOM 661 N GLN A 45 11.823 40.960 21.043 1.00 0.00 N ATOM 662 CA GLN A 45 11.930 39.661 20.391 1.00 4.00 C ATOM 663 C GLN A 45 10.751 39.562 19.406 1.00 0.00 C ATOM 664 O GLN A 45 9.862 40.406 19.453 1.00 0.00 O ATOM 665 CB GLN A 45 12.027 38.558 21.459 1.00 0.00 C ATOM 666 CG GLN A 45 10.733 37.793 21.730 1.00 0.00 C ATOM 667 CD GLN A 45 10.791 37.036 23.061 1.00 0.00 C ATOM 668 OE1 GLN A 45 9.821 37.019 23.814 1.00 0.00 O ATOM 669 NE2 GLN A 45 11.928 36.408 23.366 1.00 0.00 N ATOM 0 H GLN A 45 10.862 41.302 21.048 1.00 0.00 H new ATOM 0 HA GLN A 45 12.839 39.532 19.803 1.00 4.00 H new ATOM 0 HB2 GLN A 45 12.793 37.846 21.153 1.00 0.00 H new ATOM 0 HB3 GLN A 45 12.365 39.008 22.392 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.894 38.489 21.743 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.550 37.089 20.918 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.717 36.440 22.721 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.008 35.896 24.245 1.00 0.00 H new ATOM 678 N MET A 46 10.691 38.550 18.536 1.00 0.00 N ATOM 679 CA MET A 46 9.674 38.480 17.477 1.00 4.00 C ATOM 680 C MET A 46 8.203 38.536 17.915 1.00 0.00 C ATOM 681 O MET A 46 7.355 38.890 17.097 1.00 0.00 O ATOM 682 CB MET A 46 9.940 37.316 16.509 1.00 0.00 C ATOM 683 CG MET A 46 9.821 35.906 17.094 1.00 0.00 C ATOM 684 SD MET A 46 8.129 35.317 17.406 1.00 0.00 S ATOM 685 CE MET A 46 8.299 33.568 16.943 1.00 0.00 C ATOM 0 H MET A 46 11.338 37.762 18.543 1.00 0.00 H new ATOM 0 HA MET A 46 9.804 39.425 16.949 1.00 4.00 H new ATOM 0 HB2 MET A 46 9.244 37.400 15.674 1.00 0.00 H new ATOM 0 HB3 MET A 46 10.944 37.433 16.101 1.00 0.00 H new ATOM 0 HG2 MET A 46 10.308 35.208 16.413 1.00 0.00 H new ATOM 0 HG3 MET A 46 10.375 35.875 18.032 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.343 33.061 17.078 1.00 0.00 H new ATOM 0 HE2 MET A 46 8.604 33.496 15.899 1.00 0.00 H new ATOM 0 HE3 MET A 46 9.052 33.096 17.574 1.00 0.00 H new ATOM 695 N LYS A 47 7.876 38.213 19.171 1.00 0.00 N ATOM 696 CA LYS A 47 6.494 38.276 19.650 1.00 4.00 C ATOM 697 C LYS A 47 6.189 39.743 19.958 1.00 0.00 C ATOM 698 O LYS A 47 5.144 40.270 19.582 1.00 0.00 O ATOM 699 CB LYS A 47 6.235 37.413 20.890 1.00 0.00 C ATOM 700 CG LYS A 47 7.443 36.665 21.464 1.00 0.00 C ATOM 701 CD LYS A 47 7.077 35.486 22.370 1.00 0.00 C ATOM 702 CE LYS A 47 6.491 34.320 21.562 1.00 0.00 C ATOM 703 NZ LYS A 47 6.796 33.022 22.187 1.00 0.00 N ATOM 0 H LYS A 47 8.550 37.906 19.872 1.00 0.00 H new ATOM 0 HA LYS A 47 5.841 37.875 18.875 1.00 4.00 H new ATOM 0 HB2 LYS A 47 5.826 38.053 21.672 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.466 36.681 20.642 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.055 36.299 20.640 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.056 37.367 22.029 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.964 35.149 22.907 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.355 35.811 23.119 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.411 34.440 21.479 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.892 34.340 20.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.120 32.307 21.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.762 32.733 21.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.721 33.108 23.221 1.00 0.00 H new ATOM 717 N ASP A 48 7.135 40.383 20.648 1.00 0.00 N ATOM 718 CA ASP A 48 7.086 41.766 21.092 1.00 4.00 C ATOM 719 C ASP A 48 7.282 42.753 19.937 1.00 0.00 C ATOM 720 O ASP A 48 6.825 43.891 20.026 1.00 0.00 O ATOM 721 CB ASP A 48 8.190 41.948 22.136 1.00 0.00 C ATOM 722 CG ASP A 48 7.877 41.221 23.438 1.00 0.00 C ATOM 723 OD1 ASP A 48 8.161 40.004 23.483 1.00 0.00 O ATOM 724 OD2 ASP A 48 7.360 41.890 24.357 1.00 0.00 O ATOM 0 H ASP A 48 8.001 39.920 20.924 1.00 0.00 H new ATOM 0 HA ASP A 48 6.102 41.976 21.512 1.00 4.00 H new ATOM 0 HB2 ASP A 48 9.133 41.578 21.733 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.325 43.011 22.338 1.00 0.00 H new ATOM 729 N CYS A 49 7.972 42.325 18.872 1.00 0.00 N ATOM 730 CA CYS A 49 8.354 43.140 17.731 1.00 4.00 C ATOM 731 C CYS A 49 7.166 43.887 17.132 1.00 0.00 C ATOM 732 O CYS A 49 6.081 43.332 16.960 1.00 0.00 O ATOM 733 CB CYS A 49 9.013 42.268 16.664 1.00 0.00 C ATOM 734 SG CYS A 49 9.515 43.122 15.145 1.00 0.00 S ATOM 0 H CYS A 49 8.289 41.359 18.787 1.00 0.00 H new ATOM 0 HA CYS A 49 9.064 43.887 18.087 1.00 4.00 H new ATOM 0 HB2 CYS A 49 9.893 41.796 17.101 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.322 41.469 16.397 1.00 0.00 H new ATOM 739 N THR A 50 7.410 45.162 16.828 1.00 0.00 N ATOM 740 CA THR A 50 6.421 46.106 16.331 1.00 4.00 C ATOM 741 C THR A 50 7.111 47.350 15.747 1.00 0.00 C ATOM 742 O THR A 50 6.547 48.443 15.770 1.00 0.00 O ATOM 743 CB THR A 50 5.443 46.453 17.468 1.00 4.00 C ATOM 744 OG1 THR A 50 4.416 47.301 16.998 1.00 0.00 O ATOM 745 CG2 THR A 50 6.185 47.120 18.631 1.00 0.00 C ATOM 0 H THR A 50 8.337 45.576 16.926 1.00 0.00 H new ATOM 0 HA THR A 50 5.849 45.659 15.518 1.00 4.00 H new ATOM 0 HB THR A 50 4.994 45.526 17.825 1.00 4.00 H new ATOM 0 HG1 THR A 50 4.798 47.978 16.401 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.477 47.358 19.425 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.946 46.440 19.015 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.660 48.037 18.282 1.00 0.00 H new ATOM 753 N GLU A 51 8.327 47.190 15.212 1.00 0.00 N ATOM 754 CA GLU A 51 9.137 48.267 14.693 1.00 4.00 C ATOM 755 C GLU A 51 8.478 48.883 13.456 1.00 0.00 C ATOM 756 O GLU A 51 8.174 50.074 13.467 1.00 0.00 O ATOM 757 CB GLU A 51 10.536 47.709 14.422 1.00 0.00 C ATOM 758 CG GLU A 51 11.203 47.052 15.640 1.00 0.00 C ATOM 759 CD GLU A 51 11.217 47.909 16.903 1.00 0.00 C ATOM 760 OE1 GLU A 51 10.210 47.857 17.641 1.00 0.00 O ATOM 761 OE2 GLU A 51 12.262 48.556 17.140 1.00 0.00 O ATOM 0 H GLU A 51 8.775 46.277 15.132 1.00 0.00 H new ATOM 0 HA GLU A 51 9.226 49.081 15.412 1.00 4.00 H new ATOM 0 HB2 GLU A 51 10.472 46.976 13.618 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.174 48.518 14.066 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.687 46.117 15.858 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.230 46.796 15.380 1.00 0.00 H new ATOM 768 N ARG A 52 8.236 48.052 12.430 1.00 0.00 N ATOM 769 CA ARG A 52 7.523 48.346 11.180 1.00 4.00 C ATOM 770 C ARG A 52 7.544 49.829 10.785 1.00 0.00 C ATOM 771 O ARG A 52 6.514 50.504 10.805 1.00 0.00 O ATOM 772 CB ARG A 52 6.087 47.787 11.255 1.00 0.00 C ATOM 773 CG ARG A 52 5.444 48.116 12.607 1.00 0.00 C ATOM 774 CD ARG A 52 3.922 47.982 12.621 1.00 0.00 C ATOM 775 NE ARG A 52 3.406 48.254 13.971 1.00 0.00 N ATOM 776 CZ ARG A 52 3.328 49.467 14.547 1.00 0.00 C ATOM 777 NH1 ARG A 52 3.678 50.578 13.884 1.00 0.00 N ATOM 778 NH2 ARG A 52 2.902 49.564 15.812 1.00 0.00 N ATOM 0 H ARG A 52 8.559 47.085 12.456 1.00 0.00 H new ATOM 0 HA ARG A 52 8.062 47.842 10.378 1.00 4.00 H new ATOM 0 HB2 ARG A 52 5.486 48.208 10.449 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.104 46.707 11.109 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.863 47.457 13.367 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.711 49.135 12.886 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.481 48.678 11.907 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.634 46.978 12.308 1.00 0.00 H new ATOM 0 HE ARG A 52 3.080 47.456 14.516 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.012 50.514 12.922 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.611 51.487 14.341 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.641 48.724 16.328 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.838 50.478 16.260 1.00 0.00 H new ATOM 792 N GLN A 53 8.733 50.328 10.429 1.00 0.00 N ATOM 793 CA GLN A 53 8.926 51.696 9.971 1.00 4.00 C ATOM 794 C GLN A 53 8.459 51.827 8.520 1.00 0.00 C ATOM 795 O GLN A 53 7.740 52.812 8.244 1.00 0.00 O ATOM 796 CB GLN A 53 10.404 52.087 10.115 1.00 0.00 C ATOM 797 CG GLN A 53 10.906 52.051 11.567 1.00 0.00 C ATOM 798 CD GLN A 53 10.234 53.106 12.443 1.00 0.00 C ATOM 799 OE1 GLN A 53 10.733 54.222 12.565 1.00 0.00 O ATOM 800 NE2 GLN A 53 9.105 52.762 13.065 1.00 0.00 N ATOM 801 OXT GLN A 53 8.832 50.947 7.714 1.00 0.00 O ATOM 0 H GLN A 53 9.594 49.782 10.453 1.00 0.00 H new ATOM 0 HA GLN A 53 8.332 52.375 10.583 1.00 4.00 H new ATOM 0 HB2 GLN A 53 11.011 51.412 9.512 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.548 53.090 9.713 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.721 51.063 11.988 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.985 52.206 11.579 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.719 51.826 12.941 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.628 53.435 13.665 1.00 0.00 H new TER 810 GLN A 53 HETATM 811 ZN ZN A 54H 17.813 24.510 15.041 1.00 0.00 ZN HETATM 812 ZN ZN A 55H 11.716 43.144 15.694 1.00 0.00 ZN