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 180:sc= 0.599 USER MOD Set 1.2: A 27 ASN : amide:sc= 0.65 K(o=1.2,f=0.014) USER MOD Single : A 12 ASN : amide:sc= -0.09 X(o=-0.09,f=-0.29) USER MOD Single : A 14 LYS NZ :NH3+ -126:sc= 1.87 (180deg=-0.0765) USER MOD Single : A 17 ASN : amide:sc= 0.746 K(o=0.75,f=-2.9!) USER MOD Single : A 20 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0668) USER MOD Single : A 33 LYS NZ :NH3+ -141:sc= 0.342 (180deg=0.00124) USER MOD Single : A 34 LYS NZ :NH3+ -174:sc= 0.295 (180deg=0.142) USER MOD Single : A 38 LYS NZ :NH3+ 173:sc= 0.379 (180deg=0.209) USER MOD Single : A 41 LYS NZ :NH3+ 165:sc= 1.78 (180deg=1.51) USER MOD Single : A 45 GLN : amide:sc= -0.669 X(o=-0.67,f=-0.71) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -167:sc= 1.77 (180deg=1.37) USER MOD Single : A 50 THR OG1 : rot -39:sc= 0.662 USER MOD Single : A 53 GLN : amide:sc= 0.761 K(o=0.76,f=-3.6!) USER MOD Single : D 1 DA O5' : rot 59:sc= 1.25 USER MOD Single : D 5 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA D 1 4.171 22.144 18.179 1.00 0.00 O ATOM 2 C5' DA D 1 5.565 22.347 18.098 1.00 1.00 C ATOM 3 C4' DA D 1 5.886 23.665 17.387 1.00 4.00 C ATOM 4 O4' DA D 1 5.437 23.638 16.040 1.00 0.00 O ATOM 5 C3' DA D 1 5.271 24.908 18.039 1.00 4.00 C ATOM 6 O3' DA D 1 6.039 25.361 19.143 1.00 0.00 O ATOM 7 C2' DA D 1 5.363 25.838 16.841 1.00 1.00 C ATOM 8 C1' DA D 1 4.967 24.929 15.682 1.00 4.00 C ATOM 9 N9 DA D 1 3.498 24.954 15.430 1.00 0.00 N ATOM 10 C8 DA D 1 2.726 26.053 15.141 1.00 0.00 C ATOM 11 N7 DA D 1 1.462 25.799 14.955 1.00 0.00 N ATOM 12 C5 DA D 1 1.376 24.425 15.127 1.00 0.00 C ATOM 13 C6 DA D 1 0.292 23.523 15.061 1.00 0.00 C ATOM 14 N6 DA D 1 -0.963 23.911 14.798 1.00 0.00 N ATOM 15 N1 DA D 1 0.533 22.215 15.277 1.00 0.00 N ATOM 16 C2 DA D 1 1.778 21.825 15.532 1.00 0.00 C ATOM 17 N3 DA D 1 2.881 22.568 15.610 1.00 0.00 N ATOM 18 C4 DA D 1 2.613 23.890 15.404 1.00 0.00 C ATOM 0 H5' DA D 1 6.026 21.518 17.561 1.00 1.00 H new ATOM 0 H5'' DA D 1 5.994 22.356 19.100 1.00 1.00 H new ATOM 0 H4' DA D 1 6.971 23.745 17.456 1.00 4.00 H new ATOM 0 H3' DA D 1 4.277 24.789 18.471 1.00 4.00 H new ATOM 0 H2' DA D 1 4.689 26.690 16.936 1.00 1.00 H new ATOM 0 H2'' DA D 1 6.369 26.239 16.716 1.00 1.00 H new ATOM 0 HO5' DA D 1 3.789 22.132 17.277 1.00 0.00 H new ATOM 0 H1' DA D 1 5.407 25.260 14.741 1.00 4.00 H new ATOM 0 H8 DA D 1 3.135 27.050 15.073 1.00 0.00 H new ATOM 0 H61 DA D 1 -1.713 23.221 14.761 1.00 0.00 H new ATOM 0 H62 DA D 1 -1.168 24.897 14.635 1.00 0.00 H new ATOM 0 H2 DA D 1 1.913 20.766 15.698 1.00 0.00 H new ATOM 31 P DC D 2 5.648 26.680 20.005 1.00 4.00 P ATOM 32 OP1 DC D 2 5.378 26.260 21.398 1.00 0.00 O ATOM 33 OP2 DC D 2 4.633 27.464 19.268 1.00 0.00 O ATOM 34 O5' DC D 2 7.021 27.521 19.986 1.00 0.00 O ATOM 35 C5' DC D 2 8.135 27.124 20.761 1.00 1.00 C ATOM 36 C4' DC D 2 9.335 28.033 20.478 1.00 4.00 C ATOM 37 O4' DC D 2 9.643 28.101 19.093 1.00 0.00 O ATOM 38 C3' DC D 2 9.120 29.465 20.968 1.00 4.00 C ATOM 39 O3' DC D 2 9.624 29.604 22.286 1.00 0.00 O ATOM 40 C2' DC D 2 9.878 30.242 19.897 1.00 1.00 C ATOM 41 C1' DC D 2 9.515 29.442 18.646 1.00 4.00 C ATOM 42 N1 DC D 2 8.167 29.588 18.001 1.00 0.00 N ATOM 43 C2 DC D 2 7.238 30.585 18.342 1.00 0.00 C ATOM 44 O2 DC D 2 7.433 31.399 19.238 1.00 0.00 O ATOM 45 N3 DC D 2 6.068 30.659 17.644 1.00 0.00 N ATOM 46 C4 DC D 2 5.785 29.801 16.655 1.00 0.00 C ATOM 47 N4 DC D 2 4.621 29.925 16.007 1.00 0.00 N ATOM 48 C5 DC D 2 6.709 28.768 16.288 1.00 0.00 C ATOM 49 C6 DC D 2 7.859 28.702 16.998 1.00 0.00 C ATOM 0 H5' DC D 2 8.393 26.090 20.535 1.00 1.00 H new ATOM 0 H5'' DC D 2 7.882 27.165 21.820 1.00 1.00 H new ATOM 0 H4' DC D 2 10.160 27.577 21.026 1.00 4.00 H new ATOM 0 H3' DC D 2 8.089 29.807 21.065 1.00 4.00 H new ATOM 0 H2' DC D 2 9.552 31.280 19.832 1.00 1.00 H new ATOM 0 H2'' DC D 2 10.952 30.256 20.080 1.00 1.00 H new ATOM 0 H1' DC D 2 10.161 29.809 17.849 1.00 4.00 H new ATOM 0 H41 DC D 2 4.387 29.281 15.251 1.00 0.00 H new ATOM 0 H42 DC D 2 3.968 30.663 16.269 1.00 0.00 H new ATOM 0 H5 DC D 2 6.498 28.077 15.485 1.00 0.00 H new ATOM 0 H6 DC D 2 8.565 27.919 16.766 1.00 0.00 H new ATOM 61 P DG D 3 9.862 31.032 23.008 1.00 4.00 P ATOM 62 OP1 DG D 3 9.773 30.820 24.469 1.00 0.00 O ATOM 63 OP2 DG D 3 9.003 32.049 22.360 1.00 0.00 O ATOM 64 O5' DG D 3 11.403 31.349 22.649 1.00 0.00 O ATOM 65 C5' DG D 3 12.358 30.307 22.656 1.00 1.00 C ATOM 66 C4' DG D 3 13.808 30.784 22.680 1.00 4.00 C ATOM 67 O4' DG D 3 14.000 31.684 21.626 1.00 0.00 O ATOM 68 C3' DG D 3 14.272 31.470 23.969 1.00 4.00 C ATOM 69 O3' DG D 3 15.591 30.990 24.198 1.00 0.00 O ATOM 70 C2' DG D 3 14.208 32.930 23.588 1.00 1.00 C ATOM 71 C1' DG D 3 14.585 32.860 22.123 1.00 4.00 C ATOM 72 N9 DG D 3 13.963 33.964 21.402 1.00 0.00 N ATOM 73 C8 DG D 3 12.626 34.211 21.279 1.00 0.00 C ATOM 74 N7 DG D 3 12.344 35.214 20.501 1.00 0.00 N ATOM 75 C5 DG D 3 13.596 35.664 20.094 1.00 0.00 C ATOM 76 C6 DG D 3 13.940 36.711 19.201 1.00 0.00 C ATOM 77 O6 DG D 3 13.176 37.427 18.573 1.00 0.00 O ATOM 78 N1 DG D 3 15.311 36.872 19.060 1.00 0.00 N ATOM 79 C2 DG D 3 16.255 36.103 19.706 1.00 0.00 C ATOM 80 N2 DG D 3 17.535 36.406 19.477 1.00 0.00 N ATOM 81 N3 DG D 3 15.941 35.087 20.523 1.00 0.00 N ATOM 82 C4 DG D 3 14.599 34.925 20.668 1.00 0.00 C ATOM 0 H5' DG D 3 12.207 29.685 21.773 1.00 1.00 H new ATOM 0 H5'' DG D 3 12.182 29.674 23.526 1.00 1.00 H new ATOM 0 H4' DG D 3 14.403 29.875 22.596 1.00 4.00 H new ATOM 0 H3' DG D 3 13.702 31.292 24.881 1.00 4.00 H new ATOM 0 H2' DG D 3 13.215 33.353 23.739 1.00 1.00 H new ATOM 0 H2'' DG D 3 14.905 33.538 24.165 1.00 1.00 H new ATOM 0 H1' DG D 3 15.668 32.894 22.005 1.00 4.00 H new ATOM 0 H8 DG D 3 11.871 33.626 21.783 1.00 0.00 H new ATOM 0 H1 DG D 3 15.642 37.608 18.437 1.00 0.00 H new ATOM 0 H21 DG D 3 18.275 35.869 19.929 1.00 0.00 H new ATOM 0 H22 DG D 3 17.773 37.174 18.850 1.00 0.00 H new ATOM 94 P DC D 4 16.479 31.359 25.490 1.00 4.00 P ATOM 95 OP1 DC D 4 17.605 30.398 25.521 1.00 0.00 O ATOM 96 OP2 DC D 4 15.575 31.459 26.655 1.00 0.00 O ATOM 97 O5' DC D 4 17.062 32.819 25.149 1.00 0.00 O ATOM 98 C5' DC D 4 18.015 33.024 24.122 1.00 1.00 C ATOM 99 C4' DC D 4 18.161 34.521 23.847 1.00 4.00 C ATOM 100 O4' DC D 4 16.919 35.071 23.454 1.00 0.00 O ATOM 101 C3' DC D 4 18.600 35.329 25.065 1.00 4.00 C ATOM 102 O3' DC D 4 19.996 35.214 25.279 1.00 0.00 O ATOM 103 C2' DC D 4 18.163 36.720 24.621 1.00 1.00 C ATOM 104 C1' DC D 4 16.908 36.449 23.786 1.00 4.00 C ATOM 105 N1 DC D 4 15.674 36.800 24.545 1.00 0.00 N ATOM 106 C2 DC D 4 15.138 38.080 24.373 1.00 0.00 C ATOM 107 O2 DC D 4 15.681 38.906 23.641 1.00 0.00 O ATOM 108 N3 DC D 4 13.995 38.401 25.044 1.00 0.00 N ATOM 109 C4 DC D 4 13.385 37.518 25.847 1.00 0.00 C ATOM 110 N4 DC D 4 12.253 37.882 26.460 1.00 0.00 N ATOM 111 C5 DC D 4 13.925 36.203 26.054 1.00 0.00 C ATOM 112 C6 DC D 4 15.069 35.900 25.399 1.00 0.00 C ATOM 0 H5' DC D 4 17.704 32.506 23.215 1.00 1.00 H new ATOM 0 H5'' DC D 4 18.977 32.603 24.415 1.00 1.00 H new ATOM 0 H4' DC D 4 18.923 34.588 23.070 1.00 4.00 H new ATOM 0 H3' DC D 4 18.181 35.021 26.023 1.00 4.00 H new ATOM 0 H2' DC D 4 17.947 37.364 25.473 1.00 1.00 H new ATOM 0 H2'' DC D 4 18.936 37.216 24.034 1.00 1.00 H new ATOM 0 H1' DC D 4 16.909 37.063 22.886 1.00 4.00 H new ATOM 0 H41 DC D 4 11.772 37.226 27.075 1.00 0.00 H new ATOM 0 H42 DC D 4 11.870 38.816 26.312 1.00 0.00 H new ATOM 0 H5 DC D 4 13.440 35.489 26.703 1.00 0.00 H new ATOM 0 H6 DC D 4 15.520 34.930 25.548 1.00 0.00 H new ATOM 124 P DC D 5 20.739 35.933 26.521 1.00 4.00 P ATOM 125 OP1 DC D 5 22.139 35.456 26.564 1.00 0.00 O ATOM 126 OP2 DC D 5 19.881 35.803 27.720 1.00 0.00 O ATOM 127 O5' DC D 5 20.758 37.483 26.090 1.00 0.00 O ATOM 128 C5' DC D 5 21.562 37.950 25.024 1.00 1.00 C ATOM 129 C4' DC D 5 21.275 39.438 24.816 1.00 4.00 C ATOM 130 O4' DC D 5 19.888 39.640 24.645 1.00 0.00 O ATOM 131 C3' DC D 5 21.674 40.287 26.027 1.00 4.00 C ATOM 132 O3' DC D 5 22.938 40.888 25.842 1.00 0.00 O ATOM 133 C2' DC D 5 20.568 41.338 26.126 1.00 1.00 C ATOM 134 C1' DC D 5 19.614 40.983 24.983 1.00 4.00 C ATOM 135 N1 DC D 5 18.189 41.142 25.384 1.00 0.00 N ATOM 136 C2 DC D 5 17.465 42.229 24.890 1.00 0.00 C ATOM 137 O2 DC D 5 18.008 43.092 24.207 1.00 0.00 O ATOM 138 N3 DC D 5 16.138 42.322 25.186 1.00 0.00 N ATOM 139 C4 DC D 5 15.537 41.412 25.967 1.00 0.00 C ATOM 140 N4 DC D 5 14.227 41.544 26.206 1.00 0.00 N ATOM 141 C5 DC D 5 16.278 40.327 26.550 1.00 0.00 C ATOM 142 C6 DC D 5 17.592 40.236 26.230 1.00 0.00 C ATOM 0 H5' DC D 5 21.346 37.391 24.113 1.00 1.00 H new ATOM 0 H5'' DC D 5 22.617 37.796 25.249 1.00 1.00 H new ATOM 0 H4' DC D 5 21.854 39.737 23.942 1.00 4.00 H new ATOM 0 H3' DC D 5 21.768 39.694 26.937 1.00 4.00 H new ATOM 0 H2' DC D 5 20.065 41.298 27.092 1.00 1.00 H new ATOM 0 H2'' DC D 5 20.965 42.347 26.015 1.00 1.00 H new ATOM 0 HO3' DC D 5 23.164 41.424 26.631 1.00 0.00 H new ATOM 0 H1' DC D 5 19.766 41.651 24.136 1.00 4.00 H new ATOM 0 H41 DC D 5 13.745 40.866 26.796 1.00 0.00 H new ATOM 0 H42 DC D 5 13.710 42.323 25.798 1.00 0.00 H new ATOM 0 H5 DC D 5 15.809 39.616 27.214 1.00 0.00 H new ATOM 0 H6 DC D 5 18.183 39.435 26.648 1.00 0.00 H new TER 155 DC D 5 ATOM 156 N ASN A 12 4.651 20.911 13.749 1.00 0.00 N ATOM 157 CA ASN A 12 5.234 21.295 12.448 1.00 4.00 C ATOM 158 C ASN A 12 5.866 22.682 12.529 1.00 0.00 C ATOM 159 O ASN A 12 5.203 23.619 12.968 1.00 0.00 O ATOM 160 CB ASN A 12 4.203 21.220 11.311 1.00 0.00 C ATOM 161 CG ASN A 12 3.025 22.177 11.508 1.00 0.00 C ATOM 162 OD1 ASN A 12 2.293 22.063 12.487 1.00 0.00 O ATOM 163 ND2 ASN A 12 2.835 23.123 10.585 1.00 0.00 N ATOM 0 HA ASN A 12 6.017 20.574 12.214 1.00 4.00 H new ATOM 0 HB2 ASN A 12 4.695 21.448 10.366 1.00 0.00 H new ATOM 0 HB3 ASN A 12 3.827 20.200 11.236 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.061 23.781 10.681 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.464 23.188 9.784 1.00 0.00 H new ATOM 172 N VAL A 13 7.139 22.815 12.132 1.00 0.00 N ATOM 173 CA VAL A 13 7.880 24.063 12.269 1.00 4.00 C ATOM 174 C VAL A 13 9.134 24.076 11.414 1.00 0.00 C ATOM 175 O VAL A 13 9.571 23.045 10.906 1.00 0.00 O ATOM 176 CB VAL A 13 8.304 24.239 13.741 1.00 0.00 C ATOM 177 CG1 VAL A 13 9.340 23.207 14.201 1.00 0.00 C ATOM 178 CG2 VAL A 13 8.901 25.604 14.074 1.00 0.00 C ATOM 0 H VAL A 13 7.677 22.059 11.709 1.00 0.00 H new ATOM 0 HA VAL A 13 7.226 24.871 11.941 1.00 4.00 H new ATOM 0 HB VAL A 13 7.356 24.111 14.263 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.595 23.388 15.245 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.926 22.204 14.097 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.237 23.294 13.589 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.169 25.636 15.130 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.792 25.769 13.468 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.169 26.383 13.862 1.00 0.00 H new ATOM 188 N LYS A 14 9.686 25.286 11.312 1.00 0.00 N ATOM 189 CA LYS A 14 10.958 25.627 10.710 1.00 4.00 C ATOM 190 C LYS A 14 11.631 26.460 11.803 1.00 0.00 C ATOM 191 O LYS A 14 11.062 27.433 12.298 1.00 0.00 O ATOM 192 CB LYS A 14 10.873 26.323 9.336 1.00 0.00 C ATOM 193 CG LYS A 14 10.870 27.856 9.329 1.00 0.00 C ATOM 194 CD LYS A 14 9.611 28.486 9.933 1.00 0.00 C ATOM 195 CE LYS A 14 9.852 29.951 10.318 1.00 0.00 C ATOM 196 NZ LYS A 14 10.869 30.095 11.378 1.00 0.00 N ATOM 0 H LYS A 14 9.211 26.111 11.679 1.00 0.00 H new ATOM 0 HA LYS A 14 11.532 24.743 10.432 1.00 4.00 H new ATOM 0 HB2 LYS A 14 11.715 25.984 8.732 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.965 25.981 8.839 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.741 28.212 9.880 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.979 28.203 8.302 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.792 28.426 9.216 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.306 27.921 10.814 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.169 30.508 9.436 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.915 30.394 10.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.475 30.649 12.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.147 29.154 11.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.703 30.583 10.995 1.00 0.00 H new ATOM 210 N CYS A 15 12.802 26.028 12.250 1.00 0.00 N ATOM 211 CA CYS A 15 13.526 26.624 13.352 1.00 4.00 C ATOM 212 C CYS A 15 13.718 28.131 13.153 1.00 0.00 C ATOM 213 O CYS A 15 13.970 28.594 12.041 1.00 0.00 O ATOM 214 CB CYS A 15 14.835 25.854 13.484 1.00 0.00 C ATOM 215 SG CYS A 15 16.107 26.626 14.473 1.00 0.00 S ATOM 0 H CYS A 15 13.285 25.229 11.840 1.00 0.00 H new ATOM 0 HA CYS A 15 12.966 26.547 14.284 1.00 4.00 H new ATOM 0 HB2 CYS A 15 14.615 24.875 13.911 1.00 0.00 H new ATOM 0 HB3 CYS A 15 15.234 25.683 12.484 1.00 0.00 H new ATOM 220 N PHE A 16 13.560 28.906 14.234 1.00 0.00 N ATOM 221 CA PHE A 16 13.704 30.359 14.224 1.00 4.00 C ATOM 222 C PHE A 16 15.151 30.745 14.559 1.00 0.00 C ATOM 223 O PHE A 16 15.390 31.721 15.262 1.00 0.00 O ATOM 224 CB PHE A 16 12.683 30.999 15.182 1.00 0.00 C ATOM 225 CG PHE A 16 11.243 30.894 14.711 1.00 0.00 C ATOM 226 CD1 PHE A 16 10.560 29.666 14.783 1.00 0.00 C ATOM 227 CD2 PHE A 16 10.587 32.026 14.188 1.00 0.00 C ATOM 228 CE1 PHE A 16 9.256 29.557 14.272 1.00 0.00 C ATOM 229 CE2 PHE A 16 9.254 31.933 13.752 1.00 0.00 C ATOM 230 CZ PHE A 16 8.589 30.696 13.790 1.00 0.00 C ATOM 0 H PHE A 16 13.325 28.530 15.153 1.00 0.00 H new ATOM 0 HA PHE A 16 13.491 30.745 13.227 1.00 4.00 H new ATOM 0 HB2 PHE A 16 12.770 30.524 16.159 1.00 0.00 H new ATOM 0 HB3 PHE A 16 12.935 32.051 15.315 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.038 28.807 15.231 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.110 32.968 14.122 1.00 0.00 H new ATOM 0 HE1 PHE A 16 8.765 28.595 14.250 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.742 32.811 13.388 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.567 30.621 13.449 1.00 0.00 H new ATOM 240 N ASN A 17 16.120 29.983 14.040 1.00 0.00 N ATOM 241 CA ASN A 17 17.543 30.213 14.221 1.00 4.00 C ATOM 242 C ASN A 17 18.273 29.738 12.961 1.00 0.00 C ATOM 243 O ASN A 17 18.684 30.563 12.146 1.00 0.00 O ATOM 244 CB ASN A 17 18.013 29.504 15.501 1.00 0.00 C ATOM 245 CG ASN A 17 19.483 29.733 15.820 1.00 0.00 C ATOM 246 OD1 ASN A 17 20.090 30.696 15.357 1.00 0.00 O ATOM 247 ND2 ASN A 17 20.057 28.842 16.625 1.00 0.00 N ATOM 0 H ASN A 17 15.921 29.165 13.465 1.00 0.00 H new ATOM 0 HA ASN A 17 17.767 31.272 14.351 1.00 4.00 H new ATOM 0 HB2 ASN A 17 17.410 29.850 16.340 1.00 0.00 H new ATOM 0 HB3 ASN A 17 17.834 28.434 15.400 1.00 0.00 H new ATOM 0 HD21 ASN A 17 21.039 28.944 16.881 1.00 0.00 H new ATOM 0 HD22 ASN A 17 19.515 28.057 16.986 1.00 0.00 H new ATOM 254 N CYS A 18 18.412 28.416 12.800 1.00 0.00 N ATOM 255 CA CYS A 18 19.067 27.782 11.665 1.00 4.00 C ATOM 256 C CYS A 18 18.119 27.642 10.463 1.00 0.00 C ATOM 257 O CYS A 18 18.551 27.863 9.334 1.00 0.00 O ATOM 258 CB CYS A 18 19.703 26.444 12.069 1.00 0.00 C ATOM 259 SG CYS A 18 18.650 24.970 12.143 1.00 0.00 S ATOM 0 H CYS A 18 18.059 27.744 13.481 1.00 0.00 H new ATOM 0 HA CYS A 18 19.877 28.436 11.341 1.00 4.00 H new ATOM 0 HB2 CYS A 18 20.513 26.238 11.369 1.00 0.00 H new ATOM 0 HB3 CYS A 18 20.157 26.576 13.051 1.00 0.00 H new ATOM 264 N GLY A 19 16.840 27.297 10.691 1.00 0.00 N ATOM 265 CA GLY A 19 15.819 27.225 9.642 1.00 4.00 C ATOM 266 C GLY A 19 15.380 25.806 9.274 1.00 0.00 C ATOM 267 O GLY A 19 14.453 25.659 8.478 1.00 0.00 O ATOM 0 H GLY A 19 16.487 27.059 11.618 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.944 27.789 9.966 1.00 4.00 H new ATOM 0 HA3 GLY A 19 16.201 27.716 8.747 1.00 4.00 H new ATOM 271 N LYS A 20 16.006 24.760 9.830 1.00 0.00 N ATOM 272 CA LYS A 20 15.633 23.386 9.554 1.00 4.00 C ATOM 273 C LYS A 20 14.264 23.061 10.097 1.00 0.00 C ATOM 274 O LYS A 20 13.783 23.667 11.048 1.00 0.00 O ATOM 275 CB LYS A 20 16.600 22.432 10.228 1.00 0.00 C ATOM 276 CG LYS A 20 17.969 22.432 9.584 1.00 0.00 C ATOM 277 CD LYS A 20 17.950 21.973 8.120 1.00 0.00 C ATOM 278 CE LYS A 20 19.350 21.635 7.593 1.00 0.00 C ATOM 279 NZ LYS A 20 19.871 20.381 8.166 1.00 0.00 N ATOM 0 H LYS A 20 16.784 24.854 10.483 1.00 0.00 H new ATOM 0 HA LYS A 20 15.647 23.274 8.470 1.00 4.00 H new ATOM 0 HB2 LYS A 20 16.698 22.704 11.279 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.189 21.423 10.197 1.00 0.00 H new ATOM 0 HG2 LYS A 20 18.388 23.437 9.637 1.00 0.00 H new ATOM 0 HG3 LYS A 20 18.631 21.780 10.154 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.308 21.097 8.025 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.512 22.757 7.502 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.317 21.550 6.507 1.00 0.00 H new ATOM 0 HE3 LYS A 20 20.032 22.452 7.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 20.727 20.093 7.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 20.103 20.528 9.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 19.150 19.636 8.083 1.00 0.00 H new ATOM 293 N GLU A 21 13.671 22.054 9.472 1.00 0.00 N ATOM 294 CA GLU A 21 12.315 21.639 9.770 1.00 4.00 C ATOM 295 C GLU A 21 12.300 20.559 10.841 1.00 0.00 C ATOM 296 O GLU A 21 13.228 19.758 10.954 1.00 0.00 O ATOM 297 CB GLU A 21 11.575 21.221 8.496 1.00 0.00 C ATOM 298 CG GLU A 21 11.220 22.470 7.681 1.00 0.00 C ATOM 299 CD GLU A 21 10.559 22.102 6.358 1.00 0.00 C ATOM 300 OE1 GLU A 21 9.332 21.863 6.385 1.00 0.00 O ATOM 301 OE2 GLU A 21 11.290 22.064 5.344 1.00 0.00 O ATOM 0 H GLU A 21 14.122 21.502 8.742 1.00 0.00 H new ATOM 0 HA GLU A 21 11.773 22.492 10.178 1.00 4.00 H new ATOM 0 HB2 GLU A 21 12.198 20.551 7.903 1.00 0.00 H new ATOM 0 HB3 GLU A 21 10.670 20.671 8.752 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.550 23.106 8.260 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.123 23.050 7.489 1.00 0.00 H new ATOM 308 N GLY A 22 11.223 20.562 11.632 1.00 0.00 N ATOM 309 CA GLY A 22 10.966 19.560 12.647 1.00 4.00 C ATOM 310 C GLY A 22 11.556 19.902 14.015 1.00 0.00 C ATOM 311 O GLY A 22 11.561 19.030 14.882 1.00 0.00 O ATOM 0 H GLY A 22 10.498 21.277 11.577 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.889 19.428 12.749 1.00 4.00 H new ATOM 0 HA3 GLY A 22 11.374 18.606 12.314 1.00 4.00 H new ATOM 315 N HIS A 23 12.042 21.135 14.237 1.00 0.00 N ATOM 316 CA HIS A 23 12.501 21.541 15.557 1.00 4.00 C ATOM 317 C HIS A 23 12.412 23.054 15.700 1.00 0.00 C ATOM 318 O HIS A 23 12.471 23.772 14.703 1.00 0.00 O ATOM 319 CB HIS A 23 13.909 21.031 15.906 1.00 0.00 C ATOM 320 CG HIS A 23 15.026 21.704 15.152 1.00 0.00 C ATOM 321 ND1 HIS A 23 15.714 21.148 14.098 1.00 0.00 N ATOM 322 CD2 HIS A 23 15.632 22.916 15.343 1.00 0.00 C ATOM 323 CE1 HIS A 23 16.666 22.039 13.763 1.00 0.00 C ATOM 324 NE2 HIS A 23 16.645 23.205 14.429 1.00 0.00 N ATOM 0 H HIS A 23 12.123 21.856 13.520 1.00 0.00 H new ATOM 0 HA HIS A 23 11.834 21.069 16.279 1.00 4.00 H new ATOM 0 HB2 HIS A 23 14.076 21.168 16.974 1.00 0.00 H new ATOM 0 HB3 HIS A 23 13.951 19.959 15.711 1.00 0.00 H new ATOM 0 HD1 HIS A 23 15.538 20.244 13.659 1.00 0.00 H new ATOM 0 HD2 HIS A 23 15.349 23.593 16.136 1.00 0.00 H new ATOM 0 HE1 HIS A 23 17.404 21.828 13.003 1.00 0.00 H new ATOM 332 N THR A 24 12.277 23.527 16.939 1.00 0.00 N ATOM 333 CA THR A 24 12.232 24.941 17.267 1.00 4.00 C ATOM 334 C THR A 24 13.607 25.397 17.732 1.00 0.00 C ATOM 335 O THR A 24 14.454 24.591 18.112 1.00 0.00 O ATOM 336 CB THR A 24 11.176 25.193 18.355 1.00 4.00 C ATOM 337 OG1 THR A 24 11.335 24.273 19.414 1.00 0.00 O ATOM 338 CG2 THR A 24 9.762 25.083 17.774 1.00 0.00 C ATOM 0 H THR A 24 12.195 22.921 17.755 1.00 0.00 H new ATOM 0 HA THR A 24 11.954 25.514 16.382 1.00 4.00 H new ATOM 0 HB THR A 24 11.316 26.204 18.739 1.00 4.00 H new ATOM 0 HG1 THR A 24 10.658 24.445 20.101 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.030 25.265 18.561 1.00 0.00 H new ATOM 0 HG22 THR A 24 9.635 25.822 16.983 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.614 24.084 17.364 1.00 0.00 H new ATOM 346 N ALA A 25 13.811 26.713 17.712 1.00 0.00 N ATOM 347 CA ALA A 25 15.064 27.357 18.052 1.00 4.00 C ATOM 348 C ALA A 25 15.613 26.930 19.422 1.00 0.00 C ATOM 349 O ALA A 25 16.827 26.944 19.615 1.00 0.00 O ATOM 350 CB ALA A 25 14.847 28.860 17.945 1.00 0.00 C ATOM 0 H ALA A 25 13.081 27.375 17.449 1.00 0.00 H new ATOM 0 HA ALA A 25 15.838 27.041 17.353 1.00 4.00 H new ATOM 0 HB1 ALA A 25 15.772 29.380 18.195 1.00 0.00 H new ATOM 0 HB2 ALA A 25 14.552 29.113 16.927 1.00 0.00 H new ATOM 0 HB3 ALA A 25 14.062 29.164 18.637 1.00 0.00 H new ATOM 356 N ARG A 26 14.746 26.533 20.365 1.00 0.00 N ATOM 357 CA ARG A 26 15.164 26.001 21.657 1.00 4.00 C ATOM 358 C ARG A 26 15.875 24.661 21.521 1.00 0.00 C ATOM 359 O ARG A 26 16.882 24.427 22.186 1.00 0.00 O ATOM 360 CB ARG A 26 13.952 25.854 22.585 1.00 0.00 C ATOM 361 CG ARG A 26 13.505 27.216 23.118 1.00 0.00 C ATOM 362 CD ARG A 26 14.360 27.731 24.288 1.00 0.00 C ATOM 363 NE ARG A 26 14.234 26.890 25.484 1.00 0.00 N ATOM 364 CZ ARG A 26 14.865 27.127 26.648 1.00 0.00 C ATOM 365 NH1 ARG A 26 15.696 28.171 26.780 1.00 0.00 N ATOM 366 NH2 ARG A 26 14.658 26.310 27.689 1.00 0.00 N ATOM 0 H ARG A 26 13.734 26.575 20.246 1.00 0.00 H new ATOM 0 HA ARG A 26 15.872 26.710 22.086 1.00 4.00 H new ATOM 0 HB2 ARG A 26 13.131 25.383 22.045 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.204 25.198 23.418 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.539 27.943 22.307 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.466 27.147 23.441 1.00 0.00 H new ATOM 0 HD2 ARG A 26 15.405 27.769 23.982 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.062 28.751 24.531 1.00 0.00 H new ATOM 0 HE ARG A 26 13.628 26.072 25.429 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.857 28.798 25.992 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.168 28.338 27.669 1.00 0.00 H new ATOM 0 HH21 ARG A 26 14.026 25.515 27.596 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.133 26.483 28.575 1.00 0.00 H new ATOM 380 N ASN A 27 15.318 23.773 20.698 1.00 0.00 N ATOM 381 CA ASN A 27 15.750 22.420 20.493 1.00 0.00 C ATOM 382 C ASN A 27 16.947 22.370 19.542 1.00 0.00 C ATOM 383 O ASN A 27 17.738 21.431 19.591 1.00 0.00 O ATOM 384 CB ASN A 27 14.538 21.703 19.913 1.00 0.00 C ATOM 385 CG ASN A 27 13.507 21.342 20.981 1.00 0.00 C ATOM 386 OD1 ASN A 27 13.697 20.388 21.732 1.00 0.00 O ATOM 387 ND2 ASN A 27 12.409 22.099 21.052 1.00 0.00 N ATOM 0 H ASN A 27 14.505 24.009 20.129 1.00 0.00 H new ATOM 0 HA ASN A 27 16.087 21.948 21.416 1.00 0.00 H new ATOM 0 HB2 ASN A 27 14.070 22.337 19.160 1.00 0.00 H new ATOM 0 HB3 ASN A 27 14.865 20.795 19.406 1.00 0.00 H new ATOM 0 HD21 ASN A 27 11.692 21.893 21.748 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.288 22.883 20.411 1.00 0.00 H new ATOM 394 N CYS A 28 17.067 23.384 18.681 1.00 0.00 N ATOM 395 CA CYS A 28 18.145 23.522 17.722 1.00 4.00 C ATOM 396 C CYS A 28 19.528 23.458 18.377 1.00 0.00 C ATOM 397 O CYS A 28 19.738 23.974 19.473 1.00 0.00 O ATOM 398 CB CYS A 28 17.969 24.852 17.006 1.00 0.00 C ATOM 399 SG CYS A 28 19.217 25.181 15.750 1.00 0.00 S ATOM 0 H CYS A 28 16.393 24.149 18.638 1.00 0.00 H new ATOM 0 HA CYS A 28 18.096 22.688 17.022 1.00 4.00 H new ATOM 0 HB2 CYS A 28 16.984 24.874 16.539 1.00 0.00 H new ATOM 0 HB3 CYS A 28 17.990 25.655 17.743 1.00 0.00 H new ATOM 404 N ARG A 29 20.464 22.817 17.670 1.00 0.00 N ATOM 405 CA ARG A 29 21.848 22.620 18.056 1.00 4.00 C ATOM 406 C ARG A 29 22.618 23.940 18.105 1.00 0.00 C ATOM 407 O ARG A 29 23.352 24.202 19.057 1.00 0.00 O ATOM 408 CB ARG A 29 22.484 21.650 17.065 1.00 0.00 C ATOM 409 CG ARG A 29 21.848 20.269 17.232 1.00 0.00 C ATOM 410 CD ARG A 29 22.077 19.410 15.983 1.00 0.00 C ATOM 411 NE ARG A 29 21.505 18.064 16.133 1.00 0.00 N ATOM 412 CZ ARG A 29 20.199 17.751 16.067 1.00 0.00 C ATOM 413 NH1 ARG A 29 19.263 18.697 15.902 1.00 0.00 N ATOM 414 NH2 ARG A 29 19.827 16.469 16.168 1.00 0.00 N ATOM 0 H ARG A 29 20.255 22.401 16.762 1.00 0.00 H new ATOM 0 HA ARG A 29 21.887 22.206 19.063 1.00 4.00 H new ATOM 0 HB2 ARG A 29 22.341 22.008 16.045 1.00 0.00 H new ATOM 0 HB3 ARG A 29 23.559 21.591 17.235 1.00 0.00 H new ATOM 0 HG2 ARG A 29 22.272 19.771 18.104 1.00 0.00 H new ATOM 0 HG3 ARG A 29 20.779 20.376 17.415 1.00 0.00 H new ATOM 0 HD2 ARG A 29 21.630 19.900 15.118 1.00 0.00 H new ATOM 0 HD3 ARG A 29 23.146 19.331 15.788 1.00 0.00 H new ATOM 0 HE ARG A 29 22.158 17.299 16.302 1.00 0.00 H new ATOM 0 HH11 ARG A 29 19.536 19.677 15.824 1.00 0.00 H new ATOM 0 HH12 ARG A 29 18.278 18.437 15.855 1.00 0.00 H new ATOM 0 HH21 ARG A 29 20.531 15.742 16.294 1.00 0.00 H new ATOM 0 HH22 ARG A 29 18.839 16.219 16.119 1.00 0.00 H new ATOM 428 N ALA A 30 22.462 24.748 17.053 1.00 0.00 N ATOM 429 CA ALA A 30 23.180 26.002 16.869 1.00 4.00 C ATOM 430 C ALA A 30 22.793 27.019 17.948 1.00 0.00 C ATOM 431 O ALA A 30 21.666 26.988 18.441 1.00 0.00 O ATOM 432 CB ALA A 30 22.885 26.569 15.476 1.00 0.00 C ATOM 0 H ALA A 30 21.817 24.539 16.291 1.00 0.00 H new ATOM 0 HA ALA A 30 24.248 25.805 16.958 1.00 4.00 H new ATOM 0 HB1 ALA A 30 23.424 27.507 15.343 1.00 0.00 H new ATOM 0 HB2 ALA A 30 23.206 25.855 14.717 1.00 0.00 H new ATOM 0 HB3 ALA A 30 21.815 26.749 15.375 1.00 0.00 H new ATOM 438 N PRO A 31 23.703 27.936 18.318 1.00 0.00 N ATOM 439 CA PRO A 31 23.424 28.979 19.287 1.00 4.00 C ATOM 440 C PRO A 31 22.471 29.997 18.675 1.00 0.00 C ATOM 441 O PRO A 31 22.405 30.140 17.455 1.00 0.00 O ATOM 442 CB PRO A 31 24.771 29.601 19.647 1.00 0.00 C ATOM 443 CG PRO A 31 25.651 29.314 18.429 1.00 0.00 C ATOM 444 CD PRO A 31 25.047 28.062 17.786 1.00 0.00 C ATOM 0 HA PRO A 31 22.941 28.595 20.185 1.00 4.00 H new ATOM 0 HB2 PRO A 31 24.680 30.672 19.830 1.00 0.00 H new ATOM 0 HB3 PRO A 31 25.186 29.157 20.552 1.00 0.00 H new ATOM 0 HG2 PRO A 31 25.649 30.154 17.734 1.00 0.00 H new ATOM 0 HG3 PRO A 31 26.687 29.146 18.722 1.00 0.00 H new ATOM 0 HD2 PRO A 31 25.028 28.154 16.700 1.00 0.00 H new ATOM 0 HD3 PRO A 31 25.642 27.179 18.021 1.00 0.00 H new ATOM 452 N ARG A 32 21.750 30.716 19.537 1.00 0.00 N ATOM 453 CA ARG A 32 20.710 31.641 19.126 1.00 4.00 C ATOM 454 C ARG A 32 21.308 33.032 18.887 1.00 0.00 C ATOM 455 O ARG A 32 22.468 33.291 19.203 1.00 0.00 O ATOM 456 CB ARG A 32 19.564 31.597 20.151 1.00 0.00 C ATOM 457 CG ARG A 32 18.819 30.253 20.031 1.00 0.00 C ATOM 458 CD ARG A 32 17.615 30.128 20.978 1.00 0.00 C ATOM 459 NE ARG A 32 17.998 29.739 22.344 1.00 0.00 N ATOM 460 CZ ARG A 32 18.352 28.505 22.749 1.00 0.00 C ATOM 461 NH1 ARG A 32 18.448 27.483 21.887 1.00 0.00 N ATOM 462 NH2 ARG A 32 18.602 28.294 24.047 1.00 0.00 N ATOM 0 H ARG A 32 21.878 30.667 20.548 1.00 0.00 H new ATOM 0 HA ARG A 32 20.274 31.350 18.170 1.00 4.00 H new ATOM 0 HB2 ARG A 32 19.959 31.717 21.160 1.00 0.00 H new ATOM 0 HB3 ARG A 32 18.875 32.424 19.978 1.00 0.00 H new ATOM 0 HG2 ARG A 32 18.477 30.128 19.004 1.00 0.00 H new ATOM 0 HG3 ARG A 32 19.517 29.441 20.236 1.00 0.00 H new ATOM 0 HD2 ARG A 32 17.086 31.080 21.012 1.00 0.00 H new ATOM 0 HD3 ARG A 32 16.919 29.391 20.577 1.00 0.00 H new ATOM 0 HE ARG A 32 17.995 30.474 23.051 1.00 0.00 H new ATOM 0 HH11 ARG A 32 18.251 27.630 20.897 1.00 0.00 H new ATOM 0 HH12 ARG A 32 18.718 26.558 22.221 1.00 0.00 H new ATOM 0 HH21 ARG A 32 18.523 29.062 24.713 1.00 0.00 H new ATOM 0 HH22 ARG A 32 18.871 27.365 24.370 1.00 0.00 H new ATOM 476 N LYS A 33 20.501 33.918 18.296 1.00 0.00 N ATOM 477 CA LYS A 33 20.884 35.249 17.853 1.00 4.00 C ATOM 478 C LYS A 33 20.685 36.285 18.965 1.00 0.00 C ATOM 479 O LYS A 33 20.255 35.943 20.066 1.00 0.00 O ATOM 480 CB LYS A 33 20.033 35.584 16.614 1.00 0.00 C ATOM 481 CG LYS A 33 20.108 34.476 15.544 1.00 0.00 C ATOM 482 CD LYS A 33 19.289 34.719 14.268 1.00 0.00 C ATOM 483 CE LYS A 33 19.605 33.612 13.251 1.00 0.00 C ATOM 484 NZ LYS A 33 18.655 33.594 12.124 1.00 0.00 N ATOM 0 H LYS A 33 19.520 33.711 18.108 1.00 0.00 H new ATOM 0 HA LYS A 33 21.944 35.274 17.600 1.00 4.00 H new ATOM 0 HB2 LYS A 33 18.995 35.727 16.915 1.00 0.00 H new ATOM 0 HB3 LYS A 33 20.373 36.526 16.185 1.00 0.00 H new ATOM 0 HG2 LYS A 33 21.152 34.340 15.262 1.00 0.00 H new ATOM 0 HG3 LYS A 33 19.775 33.541 15.994 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.224 34.724 14.500 1.00 0.00 H new ATOM 0 HD3 LYS A 33 19.528 35.696 13.848 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.616 33.753 12.868 1.00 0.00 H new ATOM 0 HE3 LYS A 33 19.586 32.645 13.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 18.442 32.609 11.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 17.777 34.077 12.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.075 34.083 11.308 1.00 0.00 H new ATOM 498 N LYS A 34 20.993 37.553 18.664 1.00 0.00 N ATOM 499 CA LYS A 34 20.772 38.683 19.549 1.00 4.00 C ATOM 500 C LYS A 34 19.386 39.284 19.321 1.00 0.00 C ATOM 501 O LYS A 34 18.680 38.890 18.392 1.00 0.00 O ATOM 502 CB LYS A 34 21.860 39.741 19.312 1.00 0.00 C ATOM 503 CG LYS A 34 21.828 40.381 17.913 1.00 0.00 C ATOM 504 CD LYS A 34 22.738 41.618 17.843 1.00 0.00 C ATOM 505 CE LYS A 34 22.517 42.423 16.552 1.00 0.00 C ATOM 506 NZ LYS A 34 21.172 43.033 16.480 1.00 0.00 N ATOM 0 H LYS A 34 21.413 37.819 17.773 1.00 0.00 H new ATOM 0 HA LYS A 34 20.825 38.339 20.582 1.00 4.00 H new ATOM 0 HB2 LYS A 34 21.755 40.527 20.060 1.00 0.00 H new ATOM 0 HB3 LYS A 34 22.836 39.282 19.466 1.00 0.00 H new ATOM 0 HG2 LYS A 34 22.146 39.650 17.169 1.00 0.00 H new ATOM 0 HG3 LYS A 34 20.805 40.665 17.664 1.00 0.00 H new ATOM 0 HD2 LYS A 34 22.548 42.257 18.706 1.00 0.00 H new ATOM 0 HD3 LYS A 34 23.780 41.305 17.901 1.00 0.00 H new ATOM 0 HE2 LYS A 34 23.271 43.208 16.485 1.00 0.00 H new ATOM 0 HE3 LYS A 34 22.661 41.769 15.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 21.041 43.477 15.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 20.450 42.298 16.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 21.078 43.754 17.223 1.00 0.00 H new ATOM 520 N GLY A 35 19.047 40.267 20.164 1.00 0.00 N ATOM 521 CA GLY A 35 17.835 41.081 20.107 1.00 4.00 C ATOM 522 C GLY A 35 16.603 40.302 19.658 1.00 0.00 C ATOM 523 O GLY A 35 16.357 39.197 20.134 1.00 0.00 O ATOM 0 H GLY A 35 19.647 40.527 20.947 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.647 41.508 21.092 1.00 4.00 H new ATOM 0 HA3 GLY A 35 17.998 41.914 19.424 1.00 4.00 H new ATOM 527 N CYS A 36 15.866 40.883 18.708 1.00 0.00 N ATOM 528 CA CYS A 36 14.721 40.292 18.037 1.00 4.00 C ATOM 529 C CYS A 36 15.179 39.397 16.877 1.00 0.00 C ATOM 530 O CYS A 36 16.330 39.464 16.452 1.00 0.00 O ATOM 531 CB CYS A 36 13.818 41.433 17.560 1.00 0.00 C ATOM 532 SG CYS A 36 12.349 41.015 16.610 1.00 0.00 S ATOM 0 H CYS A 36 16.067 41.826 18.374 1.00 0.00 H new ATOM 0 HA CYS A 36 14.162 39.651 18.719 1.00 4.00 H new ATOM 0 HB2 CYS A 36 13.498 41.994 18.438 1.00 0.00 H new ATOM 0 HB3 CYS A 36 14.425 42.107 16.955 1.00 0.00 H new ATOM 537 N TRP A 37 14.283 38.531 16.388 1.00 0.00 N ATOM 538 CA TRP A 37 14.474 37.673 15.226 1.00 4.00 C ATOM 539 C TRP A 37 13.699 38.257 14.043 1.00 0.00 C ATOM 540 O TRP A 37 14.241 38.313 12.941 1.00 0.00 O ATOM 541 CB TRP A 37 14.032 36.225 15.515 1.00 0.00 C ATOM 542 CG TRP A 37 14.980 35.325 16.261 1.00 0.00 C ATOM 543 CD1 TRP A 37 16.332 35.384 16.208 1.00 0.00 C ATOM 544 CD2 TRP A 37 14.674 34.196 17.146 1.00 0.00 C ATOM 545 NE1 TRP A 37 16.879 34.347 16.930 1.00 0.00 N ATOM 546 CE2 TRP A 37 15.905 33.587 17.530 1.00 0.00 C ATOM 547 CE3 TRP A 37 13.492 33.624 17.678 1.00 0.00 C ATOM 548 CZ2 TRP A 37 15.967 32.455 18.347 1.00 0.00 C ATOM 549 CZ3 TRP A 37 13.544 32.501 18.534 1.00 0.00 C ATOM 550 CH2 TRP A 37 14.778 31.905 18.832 1.00 0.00 C ATOM 0 H TRP A 37 13.365 38.408 16.816 1.00 0.00 H new ATOM 0 HA TRP A 37 15.536 37.637 14.983 1.00 4.00 H new ATOM 0 HB2 TRP A 37 13.101 36.268 16.080 1.00 0.00 H new ATOM 0 HB3 TRP A 37 13.804 35.750 14.561 1.00 0.00 H new ATOM 0 HD1 TRP A 37 16.898 36.135 15.677 1.00 0.00 H new ATOM 0 HE1 TRP A 37 17.880 34.166 17.009 1.00 0.00 H new ATOM 0 HE3 TRP A 37 12.534 34.054 17.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 16.919 32.012 18.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.634 32.102 18.958 1.00 0.00 H new ATOM 0 HH2 TRP A 37 14.809 31.014 19.441 1.00 0.00 H new ATOM 561 N LYS A 38 12.447 38.687 14.267 1.00 0.00 N ATOM 562 CA LYS A 38 11.600 39.293 13.243 1.00 4.00 C ATOM 563 C LYS A 38 12.326 40.405 12.486 1.00 0.00 C ATOM 564 O LYS A 38 12.550 40.292 11.282 1.00 0.00 O ATOM 565 CB LYS A 38 10.288 39.798 13.867 1.00 0.00 C ATOM 566 CG LYS A 38 9.259 40.158 12.785 1.00 0.00 C ATOM 567 CD LYS A 38 7.958 40.762 13.341 1.00 0.00 C ATOM 568 CE LYS A 38 6.851 39.745 13.658 1.00 0.00 C ATOM 569 NZ LYS A 38 7.203 38.832 14.760 1.00 0.00 N ATOM 0 H LYS A 38 11.994 38.620 15.179 1.00 0.00 H new ATOM 0 HA LYS A 38 11.358 38.524 12.509 1.00 4.00 H new ATOM 0 HB2 LYS A 38 9.876 39.031 14.523 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.490 40.672 14.486 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.709 40.867 12.090 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.017 39.261 12.214 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.192 41.316 14.250 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.573 41.482 12.619 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.937 40.280 13.915 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.637 39.160 12.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.377 38.250 15.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.985 38.214 14.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.496 39.386 15.590 1.00 0.00 H new ATOM 583 N CYS A 39 12.662 41.479 13.202 1.00 0.00 N ATOM 584 CA CYS A 39 13.264 42.680 12.681 1.00 4.00 C ATOM 585 C CYS A 39 14.765 42.709 12.993 1.00 0.00 C ATOM 586 O CYS A 39 15.555 42.968 12.086 1.00 0.00 O ATOM 587 CB CYS A 39 12.484 43.881 13.218 1.00 0.00 C ATOM 588 SG CYS A 39 12.781 44.428 14.916 1.00 0.00 S ATOM 0 H CYS A 39 12.509 41.524 14.209 1.00 0.00 H new ATOM 0 HA CYS A 39 13.203 42.715 11.593 1.00 4.00 H new ATOM 0 HB2 CYS A 39 12.686 44.726 12.560 1.00 0.00 H new ATOM 0 HB3 CYS A 39 11.422 43.652 13.127 1.00 0.00 H new ATOM 593 N GLY A 40 15.166 42.402 14.241 1.00 0.00 N ATOM 594 CA GLY A 40 16.570 42.299 14.625 1.00 4.00 C ATOM 595 C GLY A 40 16.972 43.244 15.760 1.00 0.00 C ATOM 596 O GLY A 40 18.134 43.226 16.161 1.00 0.00 O ATOM 0 H GLY A 40 14.517 42.220 15.007 1.00 0.00 H new ATOM 0 HA2 GLY A 40 16.780 41.273 14.928 1.00 4.00 H new ATOM 0 HA3 GLY A 40 17.191 42.508 13.754 1.00 4.00 H new ATOM 600 N LYS A 41 16.043 44.059 16.279 1.00 0.00 N ATOM 601 CA LYS A 41 16.299 45.076 17.267 1.00 4.00 C ATOM 602 C LYS A 41 16.177 44.525 18.683 1.00 0.00 C ATOM 603 O LYS A 41 15.278 43.741 18.976 1.00 0.00 O ATOM 604 CB LYS A 41 15.272 46.178 17.018 1.00 0.00 C ATOM 605 CG LYS A 41 15.857 47.233 16.092 1.00 0.00 C ATOM 606 CD LYS A 41 14.875 48.344 15.710 1.00 0.00 C ATOM 607 CE LYS A 41 13.869 47.867 14.657 1.00 0.00 C ATOM 608 NZ LYS A 41 13.187 48.998 14.006 1.00 0.00 N ATOM 0 H LYS A 41 15.062 44.014 16.002 1.00 0.00 H new ATOM 0 HA LYS A 41 17.317 45.454 17.179 1.00 4.00 H new ATOM 0 HB2 LYS A 41 14.371 45.754 16.576 1.00 0.00 H new ATOM 0 HB3 LYS A 41 14.979 46.634 17.964 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.727 47.681 16.573 1.00 0.00 H new ATOM 0 HG3 LYS A 41 16.211 46.747 15.183 1.00 0.00 H new ATOM 0 HD2 LYS A 41 14.341 48.680 16.599 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.426 49.202 15.326 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.385 47.271 13.904 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.130 47.218 15.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.713 48.667 13.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.481 49.398 14.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.885 49.729 13.760 1.00 0.00 H new ATOM 622 N GLU A 42 17.083 44.963 19.561 1.00 0.00 N ATOM 623 CA GLU A 42 17.128 44.519 20.942 1.00 4.00 C ATOM 624 C GLU A 42 16.104 45.269 21.796 1.00 0.00 C ATOM 625 O GLU A 42 15.381 46.141 21.312 1.00 0.00 O ATOM 626 CB GLU A 42 18.557 44.570 21.521 1.00 0.00 C ATOM 627 CG GLU A 42 19.685 45.064 20.607 1.00 0.00 C ATOM 628 CD GLU A 42 19.936 44.195 19.379 1.00 0.00 C ATOM 629 OE1 GLU A 42 20.302 43.017 19.574 1.00 0.00 O ATOM 630 OE2 GLU A 42 19.794 44.733 18.259 1.00 0.00 O ATOM 0 H GLU A 42 17.808 45.640 19.324 1.00 0.00 H new ATOM 0 HA GLU A 42 16.842 43.468 20.965 1.00 4.00 H new ATOM 0 HB2 GLU A 42 18.537 45.210 22.403 1.00 0.00 H new ATOM 0 HB3 GLU A 42 18.816 43.567 21.860 1.00 0.00 H new ATOM 0 HG2 GLU A 42 19.450 46.076 20.277 1.00 0.00 H new ATOM 0 HG3 GLU A 42 20.605 45.123 21.188 1.00 0.00 H new ATOM 637 N GLY A 43 16.021 44.877 23.071 1.00 0.00 N ATOM 638 CA GLY A 43 15.045 45.371 24.026 1.00 4.00 C ATOM 639 C GLY A 43 13.845 44.426 24.071 1.00 0.00 C ATOM 640 O GLY A 43 13.254 44.237 25.133 1.00 0.00 O ATOM 0 H GLY A 43 16.655 44.185 23.472 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.497 45.448 25.015 1.00 4.00 H new ATOM 0 HA3 GLY A 43 14.721 46.373 23.744 1.00 4.00 H new ATOM 644 N HIS A 44 13.494 43.835 22.920 1.00 0.00 N ATOM 645 CA HIS A 44 12.346 42.962 22.748 1.00 4.00 C ATOM 646 C HIS A 44 12.726 41.705 21.957 1.00 0.00 C ATOM 647 O HIS A 44 13.781 41.659 21.322 1.00 0.00 O ATOM 648 CB HIS A 44 11.245 43.739 22.015 1.00 0.00 C ATOM 649 CG HIS A 44 11.596 44.069 20.587 1.00 0.00 C ATOM 650 ND1 HIS A 44 12.262 45.193 20.144 1.00 0.00 N ATOM 651 CD2 HIS A 44 11.375 43.361 19.446 1.00 0.00 C ATOM 652 CE1 HIS A 44 12.372 45.066 18.805 1.00 0.00 C ATOM 653 NE2 HIS A 44 11.818 43.961 18.280 1.00 0.00 N ATOM 0 H HIS A 44 14.026 43.962 22.059 1.00 0.00 H new ATOM 0 HA HIS A 44 11.988 42.641 23.726 1.00 4.00 H new ATOM 0 HB2 HIS A 44 10.326 43.153 22.030 1.00 0.00 H new ATOM 0 HB3 HIS A 44 11.042 44.664 22.555 1.00 0.00 H new ATOM 0 HD1 HIS A 44 12.603 45.966 20.715 1.00 0.00 H new ATOM 0 HD2 HIS A 44 10.888 42.397 19.450 1.00 0.00 H new ATOM 0 HE1 HIS A 44 12.872 45.804 18.196 1.00 0.00 H new ATOM 661 N GLN A 45 11.835 40.705 21.986 1.00 0.00 N ATOM 662 CA GLN A 45 11.919 39.463 21.224 1.00 4.00 C ATOM 663 C GLN A 45 10.805 39.474 20.162 1.00 0.00 C ATOM 664 O GLN A 45 9.942 40.344 20.198 1.00 0.00 O ATOM 665 CB GLN A 45 11.939 38.262 22.185 1.00 0.00 C ATOM 666 CG GLN A 45 10.624 37.487 22.310 1.00 0.00 C ATOM 667 CD GLN A 45 10.636 36.535 23.510 1.00 0.00 C ATOM 668 OE1 GLN A 45 9.662 36.456 24.253 1.00 0.00 O ATOM 669 NE2 GLN A 45 11.737 35.810 23.713 1.00 0.00 N ATOM 0 H GLN A 45 11.000 40.747 22.570 1.00 0.00 H new ATOM 0 HA GLN A 45 12.852 39.369 20.669 1.00 4.00 H new ATOM 0 HB2 GLN A 45 12.716 37.571 21.857 1.00 0.00 H new ATOM 0 HB3 GLN A 45 12.225 38.617 23.175 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.797 38.189 22.412 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.449 36.918 21.397 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.530 35.898 23.078 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.786 35.167 24.504 1.00 0.00 H new ATOM 678 N MET A 46 10.789 38.512 19.235 1.00 0.00 N ATOM 679 CA MET A 46 9.879 38.469 18.087 1.00 4.00 C ATOM 680 C MET A 46 8.381 38.539 18.405 1.00 0.00 C ATOM 681 O MET A 46 7.600 38.896 17.525 1.00 0.00 O ATOM 682 CB MET A 46 10.214 37.282 17.171 1.00 0.00 C ATOM 683 CG MET A 46 9.779 35.923 17.712 1.00 0.00 C ATOM 684 SD MET A 46 9.962 34.584 16.508 1.00 0.00 S ATOM 685 CE MET A 46 9.333 33.219 17.504 1.00 0.00 C ATOM 0 H MET A 46 11.428 37.718 19.264 1.00 0.00 H new ATOM 0 HA MET A 46 10.064 39.404 17.558 1.00 4.00 H new ATOM 0 HB2 MET A 46 9.740 37.442 16.202 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.290 37.263 17.000 1.00 0.00 H new ATOM 0 HG2 MET A 46 10.366 35.688 18.599 1.00 0.00 H new ATOM 0 HG3 MET A 46 8.737 35.981 18.026 1.00 0.00 H new ATOM 0 HE1 MET A 46 9.368 32.298 16.922 1.00 0.00 H new ATOM 0 HE2 MET A 46 9.947 33.108 18.398 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.303 33.425 17.795 1.00 0.00 H new ATOM 695 N LYS A 47 7.969 38.197 19.629 1.00 0.00 N ATOM 696 CA LYS A 47 6.565 38.221 20.029 1.00 4.00 C ATOM 697 C LYS A 47 6.234 39.635 20.503 1.00 0.00 C ATOM 698 O LYS A 47 5.195 40.191 20.152 1.00 0.00 O ATOM 699 CB LYS A 47 6.226 37.184 21.114 1.00 0.00 C ATOM 700 CG LYS A 47 7.383 36.314 21.630 1.00 0.00 C ATOM 701 CD LYS A 47 6.942 34.950 22.182 1.00 0.00 C ATOM 702 CE LYS A 47 6.570 33.969 21.064 1.00 0.00 C ATOM 703 NZ LYS A 47 6.408 32.597 21.575 1.00 0.00 N ATOM 0 H LYS A 47 8.603 37.896 20.369 1.00 0.00 H new ATOM 0 HA LYS A 47 5.956 37.948 19.168 1.00 4.00 H new ATOM 0 HB2 LYS A 47 5.793 37.711 21.964 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.453 36.523 20.722 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.093 36.154 20.819 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.911 36.858 22.413 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.746 34.526 22.784 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.087 35.086 22.844 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.644 34.292 20.589 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.343 33.982 20.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.376 31.931 20.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.210 32.360 22.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.523 32.531 22.117 1.00 0.00 H new ATOM 717 N ASP A 48 7.149 40.207 21.288 1.00 0.00 N ATOM 718 CA ASP A 48 7.089 41.569 21.795 1.00 4.00 C ATOM 719 C ASP A 48 7.268 42.594 20.667 1.00 0.00 C ATOM 720 O ASP A 48 6.765 43.712 20.769 1.00 0.00 O ATOM 721 CB ASP A 48 8.187 41.736 22.844 1.00 0.00 C ATOM 722 CG ASP A 48 7.934 40.909 24.100 1.00 0.00 C ATOM 723 OD1 ASP A 48 8.358 39.732 24.094 1.00 0.00 O ATOM 724 OD2 ASP A 48 7.327 41.464 25.041 1.00 0.00 O ATOM 0 H ASP A 48 7.984 39.709 21.597 1.00 0.00 H new ATOM 0 HA ASP A 48 6.109 41.747 22.239 1.00 4.00 H new ATOM 0 HB2 ASP A 48 9.144 41.447 22.411 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.266 42.788 23.117 1.00 0.00 H new ATOM 729 N CYS A 49 7.999 42.221 19.609 1.00 0.00 N ATOM 730 CA CYS A 49 8.291 43.062 18.462 1.00 4.00 C ATOM 731 C CYS A 49 7.012 43.589 17.823 1.00 0.00 C ATOM 732 O CYS A 49 6.020 42.873 17.680 1.00 0.00 O ATOM 733 CB CYS A 49 9.064 42.273 17.403 1.00 0.00 C ATOM 734 SG CYS A 49 9.451 43.173 15.880 1.00 0.00 S ATOM 0 H CYS A 49 8.413 41.292 19.534 1.00 0.00 H new ATOM 0 HA CYS A 49 8.889 43.899 18.821 1.00 4.00 H new ATOM 0 HB2 CYS A 49 9.998 41.925 17.845 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.485 41.387 17.142 1.00 0.00 H new ATOM 739 N THR A 50 7.081 44.854 17.418 1.00 0.00 N ATOM 740 CA THR A 50 6.042 45.559 16.683 1.00 4.00 C ATOM 741 C THR A 50 6.668 46.660 15.817 1.00 0.00 C ATOM 742 O THR A 50 6.008 47.648 15.494 1.00 0.00 O ATOM 743 CB THR A 50 4.992 46.095 17.673 1.00 4.00 C ATOM 744 OG1 THR A 50 3.916 46.701 16.986 1.00 0.00 O ATOM 745 CG2 THR A 50 5.607 47.100 18.653 1.00 0.00 C ATOM 0 H THR A 50 7.897 45.438 17.602 1.00 0.00 H new ATOM 0 HA THR A 50 5.528 44.881 16.002 1.00 4.00 H new ATOM 0 HB THR A 50 4.619 45.242 18.240 1.00 4.00 H new ATOM 0 HG1 THR A 50 4.260 47.208 16.221 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.838 47.458 19.337 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.401 46.615 19.221 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.020 47.943 18.099 1.00 0.00 H new ATOM 753 N GLU A 51 7.942 46.490 15.444 1.00 0.00 N ATOM 754 CA GLU A 51 8.732 47.453 14.727 1.00 4.00 C ATOM 755 C GLU A 51 8.597 47.201 13.221 1.00 0.00 C ATOM 756 O GLU A 51 7.494 47.280 12.684 1.00 0.00 O ATOM 757 CB GLU A 51 10.162 47.313 15.266 1.00 0.00 C ATOM 758 CG GLU A 51 10.320 47.838 16.696 1.00 0.00 C ATOM 759 CD GLU A 51 10.509 49.353 16.707 1.00 0.00 C ATOM 760 OE1 GLU A 51 11.553 49.797 16.176 1.00 0.00 O ATOM 761 OE2 GLU A 51 9.610 50.038 17.239 1.00 0.00 O ATOM 0 H GLU A 51 8.457 45.634 15.651 1.00 0.00 H new ATOM 0 HA GLU A 51 8.405 48.482 14.874 1.00 4.00 H new ATOM 0 HB2 GLU A 51 10.454 46.263 15.237 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.845 47.852 14.610 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.440 47.574 17.283 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.176 47.358 17.171 1.00 0.00 H new ATOM 768 N ARG A 52 9.722 46.922 12.551 1.00 0.00 N ATOM 769 CA ARG A 52 9.953 46.748 11.141 1.00 4.00 C ATOM 770 C ARG A 52 11.440 47.053 10.948 1.00 0.00 C ATOM 771 O ARG A 52 11.945 48.038 11.489 1.00 0.00 O ATOM 772 CB ARG A 52 9.090 47.659 10.252 1.00 0.00 C ATOM 773 CG ARG A 52 9.128 49.148 10.636 1.00 0.00 C ATOM 774 CD ARG A 52 8.405 50.014 9.599 1.00 0.00 C ATOM 775 NE ARG A 52 9.108 50.035 8.307 1.00 0.00 N ATOM 776 CZ ARG A 52 8.654 50.653 7.204 1.00 0.00 C ATOM 777 NH1 ARG A 52 7.480 51.299 7.215 1.00 0.00 N ATOM 778 NH2 ARG A 52 9.383 50.625 6.081 1.00 0.00 N ATOM 0 H ARG A 52 10.593 46.801 13.067 1.00 0.00 H new ATOM 0 HA ARG A 52 9.676 45.739 10.836 1.00 4.00 H new ATOM 0 HB2 ARG A 52 9.420 47.555 9.218 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.057 47.313 10.293 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.664 49.285 11.613 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.164 49.475 10.726 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.393 49.636 9.454 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.314 51.032 9.978 1.00 0.00 H new ATOM 0 HE ARG A 52 10.001 49.547 8.244 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.920 51.325 8.067 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.146 51.764 6.371 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.278 50.136 6.066 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.043 51.093 5.241 1.00 0.00 H new ATOM 792 N GLN A 53 12.118 46.199 10.180 1.00 0.00 N ATOM 793 CA GLN A 53 13.511 46.325 9.755 1.00 4.00 C ATOM 794 C GLN A 53 14.443 46.815 10.873 1.00 0.00 C ATOM 795 O GLN A 53 14.789 48.017 10.882 1.00 0.00 O ATOM 796 CB GLN A 53 13.610 47.141 8.449 1.00 0.00 C ATOM 797 CG GLN A 53 12.953 48.533 8.474 1.00 0.00 C ATOM 798 CD GLN A 53 13.023 49.221 7.114 1.00 0.00 C ATOM 799 OE1 GLN A 53 11.992 49.472 6.493 1.00 0.00 O ATOM 800 NE2 GLN A 53 14.232 49.538 6.650 1.00 0.00 N ATOM 801 OXT GLN A 53 14.797 45.966 11.718 1.00 0.00 O ATOM 0 H GLN A 53 11.683 45.351 9.817 1.00 0.00 H new ATOM 0 HA GLN A 53 13.881 45.325 9.529 1.00 4.00 H new ATOM 0 HB2 GLN A 53 14.664 47.262 8.198 1.00 0.00 H new ATOM 0 HB3 GLN A 53 13.156 46.561 7.646 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.911 48.437 8.779 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.447 49.154 9.221 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.063 49.312 7.196 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.326 50.006 5.749 1.00 0.00 H new TER 810 GLN A 53 HETATM 811 ZN ZN A 54H 17.652 24.969 14.172 1.00 0.00 ZN HETATM 812 ZN ZN A 55H 11.634 43.183 16.419 1.00 0.00 ZN