USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 433 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 32 HIS HD1 : A 32 HIS ND1 : A 63 ZNZN :(H bumps) USER MOD Set 1.1: A 8 HIS : no HD1:sc= -0.0878 K(o=-0.94,f=-2) USER MOD Set 1.2: A 30 SER OG : rot -42:sc= -0.849 USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0547 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= -2.14 K(o=-2.1,f=-0.035) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0.00547 USER MOD Single : A 26 THR OG1 : rot 94:sc= 0.936 USER MOD Single : A 29 SER OG : rot 151:sc= -0.393! USER MOD Single : A 31 TYR OH : rot -15:sc= 0.993 USER MOD Single : A 34 HIS : no HD1:sc= -0.27 X(o=-0.27,f=-0.047) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.278 K(o=-0.28,f=-2.3!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.171 USER MOD Single : A 55 CYS SG : rot 180:sc= -0.0701 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.011 -4.189 -5.065 1.00 0.00 N ATOM 2 CA GLY A 1 -14.701 -2.940 -4.670 1.00 0.00 C ATOM 3 C GLY A 1 -13.937 -2.198 -3.597 1.00 0.00 C ATOM 4 O GLY A 1 -12.717 -2.341 -3.500 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.915 -4.220 -6.100 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.067 -4.217 -4.629 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.565 -5.008 -4.744 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.820 -2.298 -5.543 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.702 -3.175 -4.308 1.00 0.00 H new ATOM 10 N PRO A 2 -14.621 -1.388 -2.776 1.00 0.00 N ATOM 11 CA PRO A 2 -13.977 -0.641 -1.696 1.00 0.00 C ATOM 12 C PRO A 2 -13.416 -1.563 -0.614 1.00 0.00 C ATOM 13 O PRO A 2 -14.021 -2.585 -0.274 1.00 0.00 O ATOM 14 CB PRO A 2 -15.100 0.238 -1.133 1.00 0.00 C ATOM 15 CG PRO A 2 -16.365 -0.433 -1.544 1.00 0.00 C ATOM 16 CD PRO A 2 -16.071 -1.136 -2.839 1.00 0.00 C ATOM 0 HA PRO A 2 -13.122 -0.067 -2.053 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -15.031 0.318 -0.048 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -15.044 1.251 -1.531 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -16.694 -1.141 -0.784 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -17.167 0.294 -1.670 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -16.636 -2.064 -2.928 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -16.334 -0.519 -3.698 1.00 0.00 H new ATOM 24 N LEU A 3 -12.249 -1.204 -0.095 1.00 0.00 N ATOM 25 CA LEU A 3 -11.596 -1.987 0.944 1.00 0.00 C ATOM 26 C LEU A 3 -12.436 -1.990 2.218 1.00 0.00 C ATOM 27 O LEU A 3 -12.641 -3.033 2.838 1.00 0.00 O ATOM 28 CB LEU A 3 -10.204 -1.423 1.228 1.00 0.00 C ATOM 29 CG LEU A 3 -9.355 -2.245 2.198 1.00 0.00 C ATOM 30 CD1 LEU A 3 -8.101 -2.753 1.507 1.00 0.00 C ATOM 31 CD2 LEU A 3 -8.992 -1.416 3.420 1.00 0.00 C ATOM 0 H LEU A 3 -11.734 -0.371 -0.379 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.496 -3.015 0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.666 -1.334 0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.312 -0.415 1.629 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.939 -3.105 2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.508 -3.336 2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.381 -3.381 0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.513 -1.907 1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.388 -2.016 4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.425 -0.538 3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.903 -1.098 3.928 1.00 0.00 H new ATOM 43 N GLY A 4 -12.940 -0.822 2.586 1.00 0.00 N ATOM 44 CA GLY A 4 -13.779 -0.716 3.761 1.00 0.00 C ATOM 45 C GLY A 4 -13.213 0.242 4.784 1.00 0.00 C ATOM 46 O GLY A 4 -12.046 0.631 4.694 1.00 0.00 O ATOM 0 H GLY A 4 -12.783 0.056 2.091 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.774 -0.383 3.466 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.894 -1.701 4.213 1.00 0.00 H new ATOM 50 N SER A 5 -14.057 0.633 5.740 1.00 0.00 N ATOM 51 CA SER A 5 -13.694 1.561 6.816 1.00 0.00 C ATOM 52 C SER A 5 -13.510 2.991 6.303 1.00 0.00 C ATOM 53 O SER A 5 -14.089 3.927 6.852 1.00 0.00 O ATOM 54 CB SER A 5 -12.435 1.088 7.552 1.00 0.00 C ATOM 55 OG SER A 5 -12.526 -0.289 7.891 1.00 0.00 O ATOM 0 H SER A 5 -15.024 0.311 5.791 1.00 0.00 H new ATOM 0 HA SER A 5 -14.525 1.569 7.521 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.559 1.254 6.924 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.295 1.680 8.457 1.00 0.00 H new ATOM 0 HG SER A 5 -11.710 -0.566 8.358 1.00 0.00 H new ATOM 61 N ASP A 6 -12.720 3.146 5.244 1.00 0.00 N ATOM 62 CA ASP A 6 -12.458 4.453 4.641 1.00 0.00 C ATOM 63 C ASP A 6 -11.845 5.409 5.658 1.00 0.00 C ATOM 64 O ASP A 6 -12.233 6.573 5.764 1.00 0.00 O ATOM 65 CB ASP A 6 -13.735 5.053 4.042 1.00 0.00 C ATOM 66 CG ASP A 6 -13.433 6.015 2.912 1.00 0.00 C ATOM 67 OD1 ASP A 6 -12.716 5.619 1.968 1.00 0.00 O ATOM 68 OD2 ASP A 6 -13.904 7.174 2.964 1.00 0.00 O ATOM 0 H ASP A 6 -12.244 2.373 4.780 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.742 4.306 3.833 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -14.375 4.251 3.674 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -14.292 5.573 4.822 1.00 0.00 H new ATOM 73 N HIS A 7 -10.859 4.912 6.383 1.00 0.00 N ATOM 74 CA HIS A 7 -10.148 5.713 7.368 1.00 0.00 C ATOM 75 C HIS A 7 -8.703 5.884 6.945 1.00 0.00 C ATOM 76 O HIS A 7 -7.809 6.079 7.768 1.00 0.00 O ATOM 77 CB HIS A 7 -10.237 5.075 8.767 1.00 0.00 C ATOM 78 CG HIS A 7 -9.680 3.679 8.873 1.00 0.00 C ATOM 79 ND1 HIS A 7 -9.514 3.073 10.096 1.00 0.00 N ATOM 80 CD2 HIS A 7 -9.280 2.817 7.899 1.00 0.00 C ATOM 81 CE1 HIS A 7 -9.027 1.870 9.846 1.00 0.00 C ATOM 82 NE2 HIS A 7 -8.869 1.672 8.532 1.00 0.00 N ATOM 0 H HIS A 7 -10.529 3.950 6.308 1.00 0.00 H new ATOM 0 HA HIS A 7 -10.617 6.695 7.423 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.709 5.714 9.474 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -11.283 5.056 9.074 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -9.285 2.999 6.834 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -8.787 1.140 10.605 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -8.510 0.828 8.085 1.00 0.00 H new ATOM 90 N HIS A 8 -8.483 5.791 5.648 1.00 0.00 N ATOM 91 CA HIS A 8 -7.154 5.914 5.099 1.00 0.00 C ATOM 92 C HIS A 8 -6.868 7.359 4.716 1.00 0.00 C ATOM 93 O HIS A 8 -7.786 8.140 4.450 1.00 0.00 O ATOM 94 CB HIS A 8 -6.994 4.986 3.897 1.00 0.00 C ATOM 95 CG HIS A 8 -6.880 3.544 4.288 1.00 0.00 C ATOM 96 ND1 HIS A 8 -7.989 2.738 4.400 1.00 0.00 N ATOM 97 CD2 HIS A 8 -5.779 2.827 4.618 1.00 0.00 C ATOM 98 CE1 HIS A 8 -7.540 1.558 4.796 1.00 0.00 C ATOM 99 NE2 HIS A 8 -6.210 1.566 4.940 1.00 0.00 N ATOM 0 H HIS A 8 -9.214 5.630 4.955 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.430 5.618 5.858 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -7.848 5.111 3.231 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.106 5.277 3.335 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -4.759 3.181 4.626 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -8.167 0.698 4.980 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.627 0.782 5.234 1.00 0.00 H new ATOM 107 N MET A 9 -5.601 7.713 4.776 1.00 0.00 N ATOM 108 CA MET A 9 -5.149 9.069 4.498 1.00 0.00 C ATOM 109 C MET A 9 -5.469 9.478 3.066 1.00 0.00 C ATOM 110 O MET A 9 -5.573 8.636 2.173 1.00 0.00 O ATOM 111 CB MET A 9 -3.640 9.179 4.740 1.00 0.00 C ATOM 112 CG MET A 9 -3.212 8.798 6.148 1.00 0.00 C ATOM 113 SD MET A 9 -2.130 7.351 6.185 1.00 0.00 S ATOM 114 CE MET A 9 -1.724 7.288 7.928 1.00 0.00 C ATOM 0 H MET A 9 -4.849 7.068 5.020 1.00 0.00 H new ATOM 0 HA MET A 9 -5.678 9.743 5.172 1.00 0.00 H new ATOM 0 HB2 MET A 9 -3.120 8.539 4.027 1.00 0.00 H new ATOM 0 HB3 MET A 9 -3.323 10.203 4.539 1.00 0.00 H new ATOM 0 HG2 MET A 9 -2.698 9.642 6.607 1.00 0.00 H new ATOM 0 HG3 MET A 9 -4.098 8.599 6.751 1.00 0.00 H new ATOM 0 HE1 MET A 9 -1.059 6.445 8.117 1.00 0.00 H new ATOM 0 HE2 MET A 9 -1.228 8.214 8.220 1.00 0.00 H new ATOM 0 HE3 MET A 9 -2.637 7.167 8.510 1.00 0.00 H new ATOM 124 N GLU A 10 -5.578 10.783 2.843 1.00 0.00 N ATOM 125 CA GLU A 10 -5.836 11.320 1.511 1.00 0.00 C ATOM 126 C GLU A 10 -4.541 11.381 0.713 1.00 0.00 C ATOM 127 O GLU A 10 -4.542 11.628 -0.492 1.00 0.00 O ATOM 128 CB GLU A 10 -6.450 12.718 1.600 1.00 0.00 C ATOM 129 CG GLU A 10 -7.439 12.886 2.738 1.00 0.00 C ATOM 130 CD GLU A 10 -8.011 14.283 2.803 1.00 0.00 C ATOM 131 OE1 GLU A 10 -8.395 14.822 1.743 1.00 0.00 O ATOM 132 OE2 GLU A 10 -8.080 14.856 3.912 1.00 0.00 O ATOM 0 H GLU A 10 -5.491 11.492 3.571 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.542 10.659 1.007 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.650 13.448 1.717 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.952 12.944 0.659 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.251 12.169 2.619 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.945 12.654 3.682 1.00 0.00 H new ATOM 139 N PHE A 11 -3.440 11.129 1.397 1.00 0.00 N ATOM 140 CA PHE A 11 -2.132 11.108 0.775 1.00 0.00 C ATOM 141 C PHE A 11 -1.292 10.029 1.430 1.00 0.00 C ATOM 142 O PHE A 11 -1.501 9.703 2.595 1.00 0.00 O ATOM 143 CB PHE A 11 -1.446 12.471 0.914 1.00 0.00 C ATOM 144 CG PHE A 11 -1.416 13.000 2.322 1.00 0.00 C ATOM 145 CD1 PHE A 11 -2.450 13.788 2.807 1.00 0.00 C ATOM 146 CD2 PHE A 11 -0.354 12.706 3.164 1.00 0.00 C ATOM 147 CE1 PHE A 11 -2.424 14.269 4.100 1.00 0.00 C ATOM 148 CE2 PHE A 11 -0.324 13.185 4.458 1.00 0.00 C ATOM 149 CZ PHE A 11 -1.360 13.966 4.926 1.00 0.00 C ATOM 0 H PHE A 11 -3.429 10.934 2.398 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.242 10.893 -0.288 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.423 12.391 0.545 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.959 13.191 0.277 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.285 14.028 2.165 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.460 12.095 2.803 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.235 14.882 4.465 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.509 12.949 5.103 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.339 14.341 5.939 1.00 0.00 H new ATOM 159 N CYS A 12 -0.368 9.453 0.684 1.00 0.00 N ATOM 160 CA CYS A 12 0.473 8.409 1.230 1.00 0.00 C ATOM 161 C CYS A 12 1.495 9.020 2.180 1.00 0.00 C ATOM 162 O CYS A 12 2.058 10.076 1.897 1.00 0.00 O ATOM 163 CB CYS A 12 1.134 7.617 0.099 1.00 0.00 C ATOM 164 SG CYS A 12 2.929 7.580 0.130 1.00 0.00 S ATOM 0 H CYS A 12 -0.183 9.688 -0.291 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.133 7.706 1.802 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.766 6.592 0.133 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.813 8.039 -0.853 1.00 0.00 H new ATOM 170 N ARG A 13 1.585 8.443 3.371 1.00 0.00 N ATOM 171 CA ARG A 13 2.371 9.011 4.471 1.00 0.00 C ATOM 172 C ARG A 13 3.813 9.335 4.075 1.00 0.00 C ATOM 173 O ARG A 13 4.470 10.149 4.727 1.00 0.00 O ATOM 174 CB ARG A 13 2.370 8.039 5.647 1.00 0.00 C ATOM 175 CG ARG A 13 2.367 8.719 7.005 1.00 0.00 C ATOM 176 CD ARG A 13 3.130 7.902 8.037 1.00 0.00 C ATOM 177 NE ARG A 13 2.711 6.497 8.054 1.00 0.00 N ATOM 178 CZ ARG A 13 1.885 5.978 8.968 1.00 0.00 C ATOM 179 NH1 ARG A 13 1.309 6.766 9.868 1.00 0.00 N ATOM 180 NH2 ARG A 13 1.623 4.677 8.969 1.00 0.00 N ATOM 0 H ARG A 13 1.117 7.568 3.607 1.00 0.00 H new ATOM 0 HA ARG A 13 1.900 9.954 4.747 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.495 7.394 5.572 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.247 7.396 5.575 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.815 9.709 6.919 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.340 8.862 7.340 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.198 7.958 7.825 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.978 8.336 9.025 1.00 0.00 H new ATOM 0 HE ARG A 13 3.071 5.880 7.326 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.497 7.769 9.863 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.679 6.369 10.565 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.052 4.070 8.271 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.992 4.284 9.668 1.00 0.00 H new ATOM 194 N VAL A 14 4.324 8.653 3.061 1.00 0.00 N ATOM 195 CA VAL A 14 5.711 8.826 2.649 1.00 0.00 C ATOM 196 C VAL A 14 5.895 10.082 1.797 1.00 0.00 C ATOM 197 O VAL A 14 6.514 11.049 2.234 1.00 0.00 O ATOM 198 CB VAL A 14 6.219 7.600 1.868 1.00 0.00 C ATOM 199 CG1 VAL A 14 7.731 7.656 1.706 1.00 0.00 C ATOM 200 CG2 VAL A 14 5.799 6.317 2.568 1.00 0.00 C ATOM 0 H VAL A 14 3.800 7.975 2.508 1.00 0.00 H new ATOM 0 HA VAL A 14 6.297 8.935 3.562 1.00 0.00 H new ATOM 0 HB VAL A 14 5.772 7.612 0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.070 6.781 1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.005 8.559 1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.202 7.668 2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.165 5.459 2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.219 6.297 3.574 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.711 6.275 2.628 1.00 0.00 H new ATOM 210 N CYS A 15 5.428 10.034 0.554 1.00 0.00 N ATOM 211 CA CYS A 15 5.638 11.133 -0.382 1.00 0.00 C ATOM 212 C CYS A 15 4.643 12.271 -0.139 1.00 0.00 C ATOM 213 O CYS A 15 4.767 13.352 -0.722 1.00 0.00 O ATOM 214 CB CYS A 15 5.529 10.622 -1.824 1.00 0.00 C ATOM 215 SG CYS A 15 3.847 10.140 -2.340 1.00 0.00 S ATOM 0 H CYS A 15 4.903 9.248 0.172 1.00 0.00 H new ATOM 0 HA CYS A 15 6.640 11.531 -0.220 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.892 11.398 -2.498 1.00 0.00 H new ATOM 0 HB3 CYS A 15 6.190 9.763 -1.941 1.00 0.00 H new ATOM 220 N LYS A 16 3.644 11.996 0.698 1.00 0.00 N ATOM 221 CA LYS A 16 2.586 12.956 1.019 1.00 0.00 C ATOM 222 C LYS A 16 1.749 13.274 -0.214 1.00 0.00 C ATOM 223 O LYS A 16 1.053 14.289 -0.267 1.00 0.00 O ATOM 224 CB LYS A 16 3.163 14.237 1.628 1.00 0.00 C ATOM 225 CG LYS A 16 3.679 14.051 3.046 1.00 0.00 C ATOM 226 CD LYS A 16 5.183 14.254 3.116 1.00 0.00 C ATOM 227 CE LYS A 16 5.804 13.453 4.246 1.00 0.00 C ATOM 228 NZ LYS A 16 7.278 13.625 4.298 1.00 0.00 N ATOM 0 H LYS A 16 3.544 11.100 1.174 1.00 0.00 H new ATOM 0 HA LYS A 16 1.936 12.496 1.764 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.976 14.596 0.997 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.394 15.009 1.627 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.183 14.757 3.712 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.428 13.051 3.399 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.635 13.959 2.169 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.401 15.313 3.257 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.368 13.765 5.195 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.565 12.397 4.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.666 13.063 5.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.697 13.304 3.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.505 14.629 4.446 1.00 0.00 H new ATOM 242 N ASP A 17 1.770 12.361 -1.173 1.00 0.00 N ATOM 243 CA ASP A 17 0.965 12.486 -2.376 1.00 0.00 C ATOM 244 C ASP A 17 0.014 11.299 -2.474 1.00 0.00 C ATOM 245 O ASP A 17 0.315 10.209 -1.972 1.00 0.00 O ATOM 246 CB ASP A 17 1.867 12.587 -3.616 1.00 0.00 C ATOM 247 CG ASP A 17 1.266 11.949 -4.854 1.00 0.00 C ATOM 248 OD1 ASP A 17 0.296 12.509 -5.408 1.00 0.00 O ATOM 249 OD2 ASP A 17 1.778 10.896 -5.293 1.00 0.00 O ATOM 0 H ASP A 17 2.342 11.517 -1.139 1.00 0.00 H new ATOM 0 HA ASP A 17 0.373 13.400 -2.327 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.073 13.638 -3.822 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.824 12.111 -3.400 1.00 0.00 H new ATOM 254 N GLY A 18 -1.166 11.537 -3.026 1.00 0.00 N ATOM 255 CA GLY A 18 -2.165 10.494 -3.128 1.00 0.00 C ATOM 256 C GLY A 18 -2.110 9.778 -4.460 1.00 0.00 C ATOM 257 O GLY A 18 -1.066 9.256 -4.849 1.00 0.00 O ATOM 0 H GLY A 18 -1.451 12.439 -3.407 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.019 9.773 -2.324 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.156 10.927 -2.991 1.00 0.00 H new ATOM 261 N GLY A 19 -3.224 9.763 -5.168 1.00 0.00 N ATOM 262 CA GLY A 19 -3.260 9.117 -6.460 1.00 0.00 C ATOM 263 C GLY A 19 -3.569 7.640 -6.354 1.00 0.00 C ATOM 264 O GLY A 19 -4.629 7.253 -5.860 1.00 0.00 O ATOM 0 H GLY A 19 -4.104 10.186 -4.873 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.012 9.600 -7.084 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.299 9.250 -6.957 1.00 0.00 H new ATOM 268 N GLU A 20 -2.615 6.812 -6.755 1.00 0.00 N ATOM 269 CA GLU A 20 -2.752 5.363 -6.647 1.00 0.00 C ATOM 270 C GLU A 20 -2.407 4.912 -5.239 1.00 0.00 C ATOM 271 O GLU A 20 -1.349 4.334 -5.004 1.00 0.00 O ATOM 272 CB GLU A 20 -1.827 4.669 -7.643 1.00 0.00 C ATOM 273 CG GLU A 20 -2.522 3.614 -8.491 1.00 0.00 C ATOM 274 CD GLU A 20 -3.369 4.211 -9.593 1.00 0.00 C ATOM 275 OE1 GLU A 20 -2.833 4.992 -10.408 1.00 0.00 O ATOM 276 OE2 GLU A 20 -4.574 3.895 -9.657 1.00 0.00 O ATOM 0 H GLU A 20 -1.731 7.120 -7.161 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.784 5.095 -6.871 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.387 5.419 -8.300 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.006 4.202 -7.099 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.772 2.957 -8.931 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.151 2.996 -7.850 1.00 0.00 H new ATOM 283 N LEU A 21 -3.254 5.265 -4.293 1.00 0.00 N ATOM 284 CA LEU A 21 -2.961 5.019 -2.899 1.00 0.00 C ATOM 285 C LEU A 21 -3.202 3.576 -2.502 1.00 0.00 C ATOM 286 O LEU A 21 -4.269 3.010 -2.743 1.00 0.00 O ATOM 287 CB LEU A 21 -3.771 5.958 -2.010 1.00 0.00 C ATOM 288 CG LEU A 21 -3.040 7.242 -1.642 1.00 0.00 C ATOM 289 CD1 LEU A 21 -3.986 8.267 -1.054 1.00 0.00 C ATOM 290 CD2 LEU A 21 -1.934 6.925 -0.662 1.00 0.00 C ATOM 0 H LEU A 21 -4.149 5.722 -4.466 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.899 5.217 -2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.700 6.214 -2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.044 5.432 -1.095 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.614 7.671 -2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.432 9.171 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.761 8.507 -1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.447 7.862 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.409 7.843 -0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.361 6.478 0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.234 6.225 -1.118 1.00 0.00 H new ATOM 302 N LEU A 22 -2.202 3.012 -1.850 1.00 0.00 N ATOM 303 CA LEU A 22 -2.282 1.658 -1.336 1.00 0.00 C ATOM 304 C LEU A 22 -2.844 1.683 0.076 1.00 0.00 C ATOM 305 O LEU A 22 -2.411 2.485 0.906 1.00 0.00 O ATOM 306 CB LEU A 22 -0.899 1.009 -1.347 1.00 0.00 C ATOM 307 CG LEU A 22 -0.770 -0.244 -2.213 1.00 0.00 C ATOM 308 CD1 LEU A 22 -1.488 -0.064 -3.541 1.00 0.00 C ATOM 309 CD2 LEU A 22 0.692 -0.577 -2.442 1.00 0.00 C ATOM 0 H LEU A 22 -1.314 3.478 -1.662 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.944 1.070 -1.972 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.173 1.745 -1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.629 0.752 -0.323 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.240 -1.073 -1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.381 -0.970 -4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.545 0.128 -3.360 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.053 0.779 -4.079 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.769 -1.471 -3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.180 0.256 -2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.179 -0.756 -1.483 1.00 0.00 H new ATOM 321 N CYS A 23 -3.864 0.876 0.317 1.00 0.00 N ATOM 322 CA CYS A 23 -4.545 0.879 1.600 1.00 0.00 C ATOM 323 C CYS A 23 -4.452 -0.484 2.275 1.00 0.00 C ATOM 324 O CYS A 23 -4.866 -1.495 1.703 1.00 0.00 O ATOM 325 CB CYS A 23 -6.014 1.267 1.408 1.00 0.00 C ATOM 326 SG CYS A 23 -6.493 1.532 -0.316 1.00 0.00 S ATOM 0 H CYS A 23 -4.238 0.211 -0.359 1.00 0.00 H new ATOM 0 HA CYS A 23 -4.057 1.611 2.244 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.643 0.484 1.832 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.214 2.177 1.973 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.751 1.853 -0.372 1.00 0.00 H new ATOM 332 N CYS A 24 -3.934 -0.500 3.499 1.00 0.00 N ATOM 333 CA CYS A 24 -3.842 -1.729 4.270 1.00 0.00 C ATOM 334 C CYS A 24 -5.221 -2.154 4.745 1.00 0.00 C ATOM 335 O CYS A 24 -5.985 -1.347 5.281 1.00 0.00 O ATOM 336 CB CYS A 24 -2.911 -1.544 5.471 1.00 0.00 C ATOM 337 SG CYS A 24 -2.570 -3.052 6.454 1.00 0.00 S ATOM 0 H CYS A 24 -3.572 0.326 3.976 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.431 -2.507 3.627 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.962 -1.144 5.113 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.345 -0.793 6.131 1.00 0.00 H new ATOM 342 N ASP A 25 -5.506 -3.434 4.604 1.00 0.00 N ATOM 343 CA ASP A 25 -6.763 -3.995 5.080 1.00 0.00 C ATOM 344 C ASP A 25 -6.739 -4.122 6.598 1.00 0.00 C ATOM 345 O ASP A 25 -7.756 -4.400 7.231 1.00 0.00 O ATOM 346 CB ASP A 25 -7.011 -5.365 4.449 1.00 0.00 C ATOM 347 CG ASP A 25 -8.464 -5.788 4.534 1.00 0.00 C ATOM 348 OD1 ASP A 25 -9.343 -5.020 4.091 1.00 0.00 O ATOM 349 OD2 ASP A 25 -8.739 -6.897 5.043 1.00 0.00 O ATOM 0 H ASP A 25 -4.883 -4.110 4.162 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.572 -3.324 4.790 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.703 -5.341 3.404 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.389 -6.109 4.947 1.00 0.00 H new ATOM 354 N THR A 26 -5.565 -3.917 7.173 1.00 0.00 N ATOM 355 CA THR A 26 -5.393 -4.024 8.608 1.00 0.00 C ATOM 356 C THR A 26 -5.269 -2.647 9.260 1.00 0.00 C ATOM 357 O THR A 26 -6.086 -2.274 10.103 1.00 0.00 O ATOM 358 CB THR A 26 -4.149 -4.871 8.943 1.00 0.00 C ATOM 359 OG1 THR A 26 -3.625 -5.463 7.743 1.00 0.00 O ATOM 360 CG2 THR A 26 -4.495 -5.963 9.944 1.00 0.00 C ATOM 0 H THR A 26 -4.715 -3.675 6.663 1.00 0.00 H new ATOM 0 HA THR A 26 -6.281 -4.515 9.008 1.00 0.00 H new ATOM 0 HB THR A 26 -3.396 -4.219 9.386 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.918 -4.891 7.377 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.603 -6.549 10.166 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.870 -5.510 10.862 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.261 -6.614 9.522 1.00 0.00 H new ATOM 368 N CYS A 27 -4.259 -1.889 8.854 1.00 0.00 N ATOM 369 CA CYS A 27 -4.025 -0.565 9.413 1.00 0.00 C ATOM 370 C CYS A 27 -4.546 0.537 8.491 1.00 0.00 C ATOM 371 O CYS A 27 -4.694 0.338 7.287 1.00 0.00 O ATOM 372 CB CYS A 27 -2.530 -0.373 9.676 1.00 0.00 C ATOM 373 SG CYS A 27 -1.604 -1.930 9.849 1.00 0.00 S ATOM 0 H CYS A 27 -3.588 -2.169 8.139 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.573 -0.493 10.352 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.099 0.205 8.859 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.404 0.216 10.585 1.00 0.00 H new ATOM 378 N PRO A 28 -4.817 1.723 9.050 1.00 0.00 N ATOM 379 CA PRO A 28 -5.305 2.871 8.291 1.00 0.00 C ATOM 380 C PRO A 28 -4.177 3.606 7.570 1.00 0.00 C ATOM 381 O PRO A 28 -4.310 4.784 7.232 1.00 0.00 O ATOM 382 CB PRO A 28 -5.925 3.783 9.363 1.00 0.00 C ATOM 383 CG PRO A 28 -5.768 3.065 10.669 1.00 0.00 C ATOM 384 CD PRO A 28 -4.690 2.044 10.471 1.00 0.00 C ATOM 0 HA PRO A 28 -6.005 2.570 7.512 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.423 4.750 9.388 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.976 3.975 9.149 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.501 3.761 11.464 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.703 2.589 10.964 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.704 2.443 10.711 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.841 1.167 11.100 1.00 0.00 H new ATOM 392 N SER A 29 -3.064 2.919 7.348 1.00 0.00 N ATOM 393 CA SER A 29 -1.921 3.519 6.687 1.00 0.00 C ATOM 394 C SER A 29 -2.068 3.431 5.178 1.00 0.00 C ATOM 395 O SER A 29 -2.390 2.375 4.632 1.00 0.00 O ATOM 396 CB SER A 29 -0.634 2.824 7.124 1.00 0.00 C ATOM 397 OG SER A 29 -0.914 1.710 7.953 1.00 0.00 O ATOM 0 H SER A 29 -2.932 1.944 7.618 1.00 0.00 H new ATOM 0 HA SER A 29 -1.874 4.570 6.972 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.077 2.497 6.246 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.001 3.530 7.660 1.00 0.00 H new ATOM 0 HG SER A 29 -0.204 1.042 7.854 1.00 0.00 H new ATOM 403 N SER A 30 -1.829 4.544 4.510 1.00 0.00 N ATOM 404 CA SER A 30 -1.894 4.597 3.065 1.00 0.00 C ATOM 405 C SER A 30 -0.521 4.921 2.497 1.00 0.00 C ATOM 406 O SER A 30 0.123 5.887 2.912 1.00 0.00 O ATOM 407 CB SER A 30 -2.926 5.633 2.636 1.00 0.00 C ATOM 408 OG SER A 30 -3.926 5.758 3.631 1.00 0.00 O ATOM 0 H SER A 30 -1.586 5.431 4.952 1.00 0.00 H new ATOM 0 HA SER A 30 -2.201 3.626 2.676 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.441 6.596 2.472 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.378 5.338 1.689 1.00 0.00 H new ATOM 0 HG SER A 30 -4.169 4.869 3.964 1.00 0.00 H new ATOM 414 N TYR A 31 -0.027 4.037 1.650 1.00 0.00 N ATOM 415 CA TYR A 31 1.323 4.158 1.121 1.00 0.00 C ATOM 416 C TYR A 31 1.311 4.106 -0.407 1.00 0.00 C ATOM 417 O TYR A 31 0.262 4.261 -1.032 1.00 0.00 O ATOM 418 CB TYR A 31 2.201 3.033 1.664 1.00 0.00 C ATOM 419 CG TYR A 31 2.429 3.087 3.157 1.00 0.00 C ATOM 420 CD1 TYR A 31 3.040 4.183 3.750 1.00 0.00 C ATOM 421 CD2 TYR A 31 2.045 2.029 3.972 1.00 0.00 C ATOM 422 CE1 TYR A 31 3.260 4.226 5.113 1.00 0.00 C ATOM 423 CE2 TYR A 31 2.260 2.067 5.333 1.00 0.00 C ATOM 424 CZ TYR A 31 2.868 3.164 5.898 1.00 0.00 C ATOM 425 OH TYR A 31 3.088 3.196 7.255 1.00 0.00 O ATOM 0 H TYR A 31 -0.541 3.224 1.311 1.00 0.00 H new ATOM 0 HA TYR A 31 1.729 5.119 1.436 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.742 2.077 1.413 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.167 3.066 1.159 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.349 5.016 3.136 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.571 1.164 3.532 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.736 5.086 5.560 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.952 1.238 5.954 1.00 0.00 H new ATOM 0 HH TYR A 31 3.730 3.906 7.466 1.00 0.00 H new ATOM 435 N HIS A 32 2.457 3.776 -0.990 1.00 0.00 N ATOM 436 CA HIS A 32 2.566 3.557 -2.429 1.00 0.00 C ATOM 437 C HIS A 32 3.388 2.306 -2.687 1.00 0.00 C ATOM 438 O HIS A 32 3.958 1.746 -1.762 1.00 0.00 O ATOM 439 CB HIS A 32 3.217 4.753 -3.130 1.00 0.00 C ATOM 440 CG HIS A 32 2.238 5.763 -3.634 1.00 0.00 C ATOM 441 ND1 HIS A 32 2.284 7.075 -3.244 1.00 0.00 N ATOM 442 CD2 HIS A 32 1.207 5.595 -4.491 1.00 0.00 C ATOM 443 CE1 HIS A 32 1.283 7.679 -3.865 1.00 0.00 C ATOM 444 NE2 HIS A 32 0.601 6.817 -4.636 1.00 0.00 N ATOM 0 H HIS A 32 3.333 3.653 -0.483 1.00 0.00 H new ATOM 0 HA HIS A 32 1.561 3.436 -2.833 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.902 5.240 -2.436 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.814 4.391 -3.967 1.00 0.00 H new ATOM 0 HD2 HIS A 32 0.915 4.673 -4.971 1.00 0.00 H new ATOM 0 HE1 HIS A 32 1.046 8.728 -3.765 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -0.210 7.030 -5.217 1.00 0.00 H new ATOM 452 N ILE A 33 3.485 1.902 -3.942 1.00 0.00 N ATOM 453 CA ILE A 33 4.248 0.713 -4.300 1.00 0.00 C ATOM 454 C ILE A 33 5.743 1.013 -4.339 1.00 0.00 C ATOM 455 O ILE A 33 6.573 0.104 -4.350 1.00 0.00 O ATOM 456 CB ILE A 33 3.810 0.161 -5.669 1.00 0.00 C ATOM 457 CG1 ILE A 33 3.740 1.286 -6.708 1.00 0.00 C ATOM 458 CG2 ILE A 33 2.465 -0.536 -5.545 1.00 0.00 C ATOM 459 CD1 ILE A 33 3.810 0.795 -8.140 1.00 0.00 C ATOM 0 H ILE A 33 3.047 2.377 -4.731 1.00 0.00 H new ATOM 0 HA ILE A 33 4.051 -0.036 -3.533 1.00 0.00 H new ATOM 0 HB ILE A 33 4.550 -0.565 -6.005 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.812 1.841 -6.568 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.559 1.984 -6.532 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.164 -0.923 -6.519 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.546 -1.360 -4.837 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.718 0.175 -5.191 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.755 1.646 -8.819 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.749 0.265 -8.297 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.976 0.121 -8.335 1.00 0.00 H new ATOM 470 N HIS A 34 6.070 2.296 -4.387 1.00 0.00 N ATOM 471 CA HIS A 34 7.457 2.736 -4.472 1.00 0.00 C ATOM 472 C HIS A 34 7.790 3.697 -3.335 1.00 0.00 C ATOM 473 O HIS A 34 8.824 4.369 -3.359 1.00 0.00 O ATOM 474 CB HIS A 34 7.729 3.410 -5.826 1.00 0.00 C ATOM 475 CG HIS A 34 6.566 4.189 -6.383 1.00 0.00 C ATOM 476 ND1 HIS A 34 6.138 4.007 -7.672 1.00 0.00 N ATOM 477 CD2 HIS A 34 5.790 5.129 -5.790 1.00 0.00 C ATOM 478 CE1 HIS A 34 5.120 4.832 -7.838 1.00 0.00 C ATOM 479 NE2 HIS A 34 4.870 5.535 -6.725 1.00 0.00 N ATOM 0 H HIS A 34 5.390 3.056 -4.368 1.00 0.00 H new ATOM 0 HA HIS A 34 8.095 1.857 -4.383 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.581 4.081 -5.718 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.016 2.645 -6.547 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.878 5.490 -4.776 1.00 0.00 H new ATOM 0 HE1 HIS A 34 4.559 4.928 -8.756 1.00 0.00 H new ATOM 0 HE2 HIS A 34 4.139 6.235 -6.597 1.00 0.00 H new ATOM 487 N CYS A 35 6.903 3.776 -2.348 1.00 0.00 N ATOM 488 CA CYS A 35 7.106 4.671 -1.222 1.00 0.00 C ATOM 489 C CYS A 35 7.446 3.897 0.053 1.00 0.00 C ATOM 490 O CYS A 35 7.866 4.484 1.046 1.00 0.00 O ATOM 491 CB CYS A 35 5.873 5.559 -1.016 1.00 0.00 C ATOM 492 SG CYS A 35 5.676 6.850 -2.298 1.00 0.00 S ATOM 0 H CYS A 35 6.041 3.232 -2.308 1.00 0.00 H new ATOM 0 HA CYS A 35 7.958 5.312 -1.449 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.982 4.932 -1.004 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.939 6.037 -0.039 1.00 0.00 H new ATOM 497 N LEU A 36 7.381 2.573 -0.015 1.00 0.00 N ATOM 498 CA LEU A 36 7.803 1.745 1.111 1.00 0.00 C ATOM 499 C LEU A 36 9.215 1.228 0.878 1.00 0.00 C ATOM 500 O LEU A 36 9.895 1.655 -0.056 1.00 0.00 O ATOM 501 CB LEU A 36 6.861 0.554 1.337 1.00 0.00 C ATOM 502 CG LEU A 36 5.645 0.475 0.418 1.00 0.00 C ATOM 503 CD1 LEU A 36 5.676 -0.799 -0.410 1.00 0.00 C ATOM 504 CD2 LEU A 36 4.372 0.530 1.233 1.00 0.00 C ATOM 0 H LEU A 36 7.045 2.054 -0.826 1.00 0.00 H new ATOM 0 HA LEU A 36 7.774 2.373 2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.437 -0.365 1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.510 0.585 2.368 1.00 0.00 H new ATOM 0 HG LEU A 36 5.673 1.328 -0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.800 -0.834 -1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.579 -0.814 -1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.672 -1.664 0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.511 0.473 0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.349 -0.309 1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.338 1.466 1.791 1.00 0.00 H new ATOM 516 N ASN A 37 9.624 0.256 1.681 1.00 0.00 N ATOM 517 CA ASN A 37 10.928 -0.375 1.513 1.00 0.00 C ATOM 518 C ASN A 37 10.891 -1.391 0.368 1.00 0.00 C ATOM 519 O ASN A 37 11.652 -1.260 -0.593 1.00 0.00 O ATOM 520 CB ASN A 37 11.395 -1.027 2.822 1.00 0.00 C ATOM 521 CG ASN A 37 12.859 -1.427 2.797 1.00 0.00 C ATOM 522 OD1 ASN A 37 13.188 -2.613 2.767 1.00 0.00 O ATOM 523 ND2 ASN A 37 13.748 -0.450 2.833 1.00 0.00 N ATOM 0 H ASN A 37 9.073 -0.114 2.456 1.00 0.00 H new ATOM 0 HA ASN A 37 11.652 0.398 1.254 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.228 -0.334 3.646 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.786 -1.910 3.019 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.745 -0.667 2.837 1.00 0.00 H new ATOM 0 HD22 ASN A 37 13.438 0.521 2.857 1.00 0.00 H new ATOM 530 N PRO A 38 9.961 -2.363 0.399 1.00 0.00 N ATOM 531 CA PRO A 38 9.779 -3.308 -0.708 1.00 0.00 C ATOM 532 C PRO A 38 9.300 -2.605 -1.980 1.00 0.00 C ATOM 533 O PRO A 38 8.458 -1.704 -1.921 1.00 0.00 O ATOM 534 CB PRO A 38 8.687 -4.253 -0.199 1.00 0.00 C ATOM 535 CG PRO A 38 8.647 -4.042 1.273 1.00 0.00 C ATOM 536 CD PRO A 38 8.983 -2.605 1.470 1.00 0.00 C ATOM 0 HA PRO A 38 10.710 -3.810 -0.972 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.724 -4.025 -0.656 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.918 -5.290 -0.442 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.662 -4.275 1.678 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.362 -4.687 1.783 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.106 -1.965 1.372 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.406 -2.418 2.457 1.00 0.00 H new ATOM 544 N PRO A 39 9.877 -2.951 -3.136 1.00 0.00 N ATOM 545 CA PRO A 39 9.548 -2.327 -4.405 1.00 0.00 C ATOM 546 C PRO A 39 8.523 -3.131 -5.201 1.00 0.00 C ATOM 547 O PRO A 39 8.861 -4.111 -5.867 1.00 0.00 O ATOM 548 CB PRO A 39 10.899 -2.313 -5.119 1.00 0.00 C ATOM 549 CG PRO A 39 11.660 -3.481 -4.560 1.00 0.00 C ATOM 550 CD PRO A 39 10.957 -3.929 -3.298 1.00 0.00 C ATOM 0 HA PRO A 39 9.092 -1.344 -4.286 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.774 -2.406 -6.198 1.00 0.00 H new ATOM 0 HB3 PRO A 39 11.428 -1.377 -4.939 1.00 0.00 H new ATOM 0 HG2 PRO A 39 11.699 -4.294 -5.285 1.00 0.00 H new ATOM 0 HG3 PRO A 39 12.690 -3.198 -4.344 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.568 -4.943 -3.395 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.631 -3.927 -2.442 1.00 0.00 H new ATOM 558 N LEU A 40 7.274 -2.706 -5.148 1.00 0.00 N ATOM 559 CA LEU A 40 6.219 -3.380 -5.891 1.00 0.00 C ATOM 560 C LEU A 40 6.045 -2.726 -7.255 1.00 0.00 C ATOM 561 O LEU A 40 5.830 -1.519 -7.347 1.00 0.00 O ATOM 562 CB LEU A 40 4.899 -3.348 -5.115 1.00 0.00 C ATOM 563 CG LEU A 40 5.034 -3.425 -3.591 1.00 0.00 C ATOM 564 CD1 LEU A 40 3.789 -2.869 -2.919 1.00 0.00 C ATOM 565 CD2 LEU A 40 5.281 -4.859 -3.147 1.00 0.00 C ATOM 0 H LEU A 40 6.964 -1.902 -4.602 1.00 0.00 H new ATOM 0 HA LEU A 40 6.506 -4.422 -6.029 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.368 -2.431 -5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.279 -4.179 -5.451 1.00 0.00 H new ATOM 0 HG LEU A 40 5.890 -2.820 -3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.901 -2.931 -1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.652 -1.828 -3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.919 -3.449 -3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.374 -4.893 -2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.446 -5.486 -3.459 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.201 -5.227 -3.602 1.00 0.00 H new ATOM 577 N PRO A 41 6.244 -3.492 -8.338 1.00 0.00 N ATOM 578 CA PRO A 41 6.174 -2.964 -9.703 1.00 0.00 C ATOM 579 C PRO A 41 4.747 -2.611 -10.110 1.00 0.00 C ATOM 580 O PRO A 41 4.520 -1.668 -10.872 1.00 0.00 O ATOM 581 CB PRO A 41 6.708 -4.111 -10.572 1.00 0.00 C ATOM 582 CG PRO A 41 7.369 -5.055 -9.625 1.00 0.00 C ATOM 583 CD PRO A 41 6.644 -4.906 -8.320 1.00 0.00 C ATOM 0 HA PRO A 41 6.743 -2.040 -9.807 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.900 -4.601 -11.114 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.414 -3.743 -11.316 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.309 -6.080 -9.990 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.427 -4.818 -9.513 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.782 -5.571 -8.256 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.287 -5.135 -7.470 1.00 0.00 H new ATOM 591 N GLU A 42 3.792 -3.329 -9.542 1.00 0.00 N ATOM 592 CA GLU A 42 2.387 -3.072 -9.793 1.00 0.00 C ATOM 593 C GLU A 42 1.650 -2.891 -8.475 1.00 0.00 C ATOM 594 O GLU A 42 2.160 -3.265 -7.418 1.00 0.00 O ATOM 595 CB GLU A 42 1.771 -4.225 -10.590 1.00 0.00 C ATOM 596 CG GLU A 42 1.274 -3.819 -11.968 1.00 0.00 C ATOM 597 CD GLU A 42 0.665 -2.434 -11.985 1.00 0.00 C ATOM 598 OE1 GLU A 42 -0.321 -2.205 -11.251 1.00 0.00 O ATOM 599 OE2 GLU A 42 1.173 -1.567 -12.727 1.00 0.00 O ATOM 0 H GLU A 42 3.969 -4.101 -8.899 1.00 0.00 H new ATOM 0 HA GLU A 42 2.295 -2.157 -10.378 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.513 -5.016 -10.700 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.940 -4.644 -10.023 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.104 -3.855 -12.674 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.533 -4.541 -12.310 1.00 0.00 H new ATOM 606 N ILE A 43 0.456 -2.322 -8.538 1.00 0.00 N ATOM 607 CA ILE A 43 -0.344 -2.109 -7.341 1.00 0.00 C ATOM 608 C ILE A 43 -1.229 -3.321 -7.065 1.00 0.00 C ATOM 609 O ILE A 43 -1.892 -3.835 -7.970 1.00 0.00 O ATOM 610 CB ILE A 43 -1.222 -0.839 -7.447 1.00 0.00 C ATOM 611 CG1 ILE A 43 -2.137 -0.903 -8.671 1.00 0.00 C ATOM 612 CG2 ILE A 43 -0.354 0.407 -7.507 1.00 0.00 C ATOM 613 CD1 ILE A 43 -3.609 -0.911 -8.324 1.00 0.00 C ATOM 0 H ILE A 43 0.020 -2.000 -9.402 1.00 0.00 H new ATOM 0 HA ILE A 43 0.352 -1.969 -6.514 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.847 -0.790 -6.555 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.928 -0.049 -9.316 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.902 -1.800 -9.244 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.989 1.290 -7.581 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.253 0.472 -6.604 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.298 0.355 -8.379 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.198 -0.957 -9.240 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.832 -1.780 -7.704 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.859 -0.002 -7.777 1.00 0.00 H new ATOM 624 N PRO A 44 -1.193 -3.838 -5.832 1.00 0.00 N ATOM 625 CA PRO A 44 -1.980 -5.009 -5.445 1.00 0.00 C ATOM 626 C PRO A 44 -3.471 -4.694 -5.422 1.00 0.00 C ATOM 627 O PRO A 44 -3.953 -3.989 -4.533 1.00 0.00 O ATOM 628 CB PRO A 44 -1.480 -5.341 -4.033 1.00 0.00 C ATOM 629 CG PRO A 44 -0.202 -4.586 -3.877 1.00 0.00 C ATOM 630 CD PRO A 44 -0.344 -3.362 -4.733 1.00 0.00 C ATOM 0 HA PRO A 44 -1.860 -5.835 -6.146 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.207 -5.042 -3.278 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.320 -6.413 -3.915 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.032 -4.317 -2.835 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.649 -5.188 -4.194 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.808 -2.539 -4.190 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.621 -3.004 -5.092 1.00 0.00 H new ATOM 638 N ASN A 45 -4.185 -5.162 -6.435 1.00 0.00 N ATOM 639 CA ASN A 45 -5.609 -4.888 -6.552 1.00 0.00 C ATOM 640 C ASN A 45 -6.399 -5.809 -5.634 1.00 0.00 C ATOM 641 O ASN A 45 -6.164 -7.019 -5.600 1.00 0.00 O ATOM 642 CB ASN A 45 -6.078 -5.063 -7.999 1.00 0.00 C ATOM 643 CG ASN A 45 -6.568 -3.766 -8.623 1.00 0.00 C ATOM 644 OD1 ASN A 45 -6.846 -2.782 -7.932 1.00 0.00 O ATOM 645 ND2 ASN A 45 -6.687 -3.758 -9.941 1.00 0.00 N ATOM 0 H ASN A 45 -3.801 -5.733 -7.188 1.00 0.00 H new ATOM 0 HA ASN A 45 -5.784 -3.854 -6.254 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.257 -5.460 -8.596 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.880 -5.801 -8.029 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.018 -2.919 -10.418 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.448 -4.590 -10.480 1.00 0.00 H new ATOM 652 N GLY A 46 -7.273 -5.223 -4.835 1.00 0.00 N ATOM 653 CA GLY A 46 -8.044 -5.995 -3.887 1.00 0.00 C ATOM 654 C GLY A 46 -7.757 -5.579 -2.466 1.00 0.00 C ATOM 655 O GLY A 46 -8.358 -4.631 -1.955 1.00 0.00 O ATOM 0 H GLY A 46 -7.463 -4.221 -4.826 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.107 -5.871 -4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -7.817 -7.054 -4.009 1.00 0.00 H new ATOM 659 N GLU A 47 -6.798 -6.246 -1.844 1.00 0.00 N ATOM 660 CA GLU A 47 -6.398 -5.923 -0.485 1.00 0.00 C ATOM 661 C GLU A 47 -4.887 -6.019 -0.337 1.00 0.00 C ATOM 662 O GLU A 47 -4.290 -7.059 -0.620 1.00 0.00 O ATOM 663 CB GLU A 47 -7.066 -6.873 0.508 1.00 0.00 C ATOM 664 CG GLU A 47 -8.459 -6.440 0.928 1.00 0.00 C ATOM 665 CD GLU A 47 -9.547 -7.302 0.321 1.00 0.00 C ATOM 666 OE1 GLU A 47 -9.265 -8.457 -0.052 1.00 0.00 O ATOM 667 OE2 GLU A 47 -10.697 -6.831 0.225 1.00 0.00 O ATOM 0 H GLU A 47 -6.280 -7.019 -2.262 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.714 -4.902 -0.273 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.123 -7.867 0.064 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.438 -6.956 1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.535 -6.478 2.015 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.617 -5.402 0.634 1.00 0.00 H new ATOM 674 N TRP A 48 -4.280 -4.965 0.172 1.00 0.00 N ATOM 675 CA TRP A 48 -2.861 -4.964 0.440 1.00 0.00 C ATOM 676 C TRP A 48 -2.652 -4.517 1.882 1.00 0.00 C ATOM 677 O TRP A 48 -3.561 -3.958 2.484 1.00 0.00 O ATOM 678 CB TRP A 48 -2.151 -4.041 -0.568 1.00 0.00 C ATOM 679 CG TRP A 48 -0.764 -3.638 -0.176 1.00 0.00 C ATOM 680 CD1 TRP A 48 0.407 -4.269 -0.491 1.00 0.00 C ATOM 681 CD2 TRP A 48 -0.410 -2.504 0.609 1.00 0.00 C ATOM 682 NE1 TRP A 48 1.465 -3.592 0.064 1.00 0.00 N ATOM 683 CE2 TRP A 48 0.987 -2.507 0.747 1.00 0.00 C ATOM 684 CE3 TRP A 48 -1.149 -1.493 1.217 1.00 0.00 C ATOM 685 CZ2 TRP A 48 1.661 -1.529 1.468 1.00 0.00 C ATOM 686 CZ3 TRP A 48 -0.484 -0.525 1.928 1.00 0.00 C ATOM 687 CH2 TRP A 48 0.909 -0.548 2.055 1.00 0.00 C ATOM 0 H TRP A 48 -4.754 -4.094 0.409 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.432 -5.959 0.322 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.109 -4.544 -1.534 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.752 -3.142 -0.703 1.00 0.00 H new ATOM 0 HD1 TRP A 48 0.488 -5.166 -1.087 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.447 -3.855 -0.019 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -2.225 -1.471 1.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.737 -1.543 1.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.046 0.268 2.398 1.00 0.00 H new ATOM 0 HH2 TRP A 48 1.401 0.224 2.628 1.00 0.00 H new ATOM 698 N LEU A 49 -1.514 -4.852 2.462 1.00 0.00 N ATOM 699 CA LEU A 49 -1.219 -4.488 3.844 1.00 0.00 C ATOM 700 C LEU A 49 0.180 -3.901 3.921 1.00 0.00 C ATOM 701 O LEU A 49 1.046 -4.304 3.141 1.00 0.00 O ATOM 702 CB LEU A 49 -1.320 -5.716 4.758 1.00 0.00 C ATOM 703 CG LEU A 49 -2.178 -6.865 4.225 1.00 0.00 C ATOM 704 CD1 LEU A 49 -1.691 -8.192 4.778 1.00 0.00 C ATOM 705 CD2 LEU A 49 -3.642 -6.652 4.577 1.00 0.00 C ATOM 0 H LEU A 49 -0.773 -5.378 1.999 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.947 -3.749 4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.314 -6.093 4.944 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.724 -5.399 5.719 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.085 -6.884 3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.312 -8.998 4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.656 -8.354 4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.754 -8.178 5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.234 -7.481 4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.752 -6.604 5.660 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.990 -5.719 4.135 1.00 0.00 H new ATOM 717 N CYS A 50 0.400 -2.948 4.841 1.00 0.00 N ATOM 718 CA CYS A 50 1.717 -2.320 4.994 1.00 0.00 C ATOM 719 C CYS A 50 2.810 -3.394 5.135 1.00 0.00 C ATOM 720 O CYS A 50 2.512 -4.557 5.423 1.00 0.00 O ATOM 721 CB CYS A 50 1.768 -1.354 6.203 1.00 0.00 C ATOM 722 SG CYS A 50 0.160 -0.729 6.820 1.00 0.00 S ATOM 0 H CYS A 50 -0.312 -2.600 5.483 1.00 0.00 H new ATOM 0 HA CYS A 50 1.898 -1.732 4.094 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.274 -1.862 7.024 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.384 -0.498 5.929 1.00 0.00 H new ATOM 727 N PRO A 51 4.073 -3.051 4.826 1.00 0.00 N ATOM 728 CA PRO A 51 5.191 -4.015 4.814 1.00 0.00 C ATOM 729 C PRO A 51 5.544 -4.574 6.197 1.00 0.00 C ATOM 730 O PRO A 51 6.718 -4.637 6.568 1.00 0.00 O ATOM 731 CB PRO A 51 6.363 -3.199 4.255 1.00 0.00 C ATOM 732 CG PRO A 51 5.982 -1.775 4.462 1.00 0.00 C ATOM 733 CD PRO A 51 4.490 -1.731 4.328 1.00 0.00 C ATOM 0 HA PRO A 51 4.936 -4.897 4.227 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.292 -3.437 4.774 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.524 -3.414 3.199 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.297 -1.424 5.445 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.461 -1.130 3.725 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.056 -0.922 4.916 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.182 -1.574 3.294 1.00 0.00 H new ATOM 741 N ARG A 52 4.534 -5.056 6.914 1.00 0.00 N ATOM 742 CA ARG A 52 4.735 -5.696 8.214 1.00 0.00 C ATOM 743 C ARG A 52 3.480 -6.452 8.660 1.00 0.00 C ATOM 744 O ARG A 52 3.552 -7.353 9.493 1.00 0.00 O ATOM 745 CB ARG A 52 5.141 -4.662 9.273 1.00 0.00 C ATOM 746 CG ARG A 52 4.057 -3.647 9.594 1.00 0.00 C ATOM 747 CD ARG A 52 4.495 -2.231 9.252 1.00 0.00 C ATOM 748 NE ARG A 52 3.369 -1.399 8.832 1.00 0.00 N ATOM 749 CZ ARG A 52 2.985 -0.284 9.455 1.00 0.00 C ATOM 750 NH1 ARG A 52 3.654 0.156 10.516 1.00 0.00 N ATOM 751 NH2 ARG A 52 1.933 0.395 9.010 1.00 0.00 N ATOM 0 H ARG A 52 3.560 -5.016 6.615 1.00 0.00 H new ATOM 0 HA ARG A 52 5.544 -6.418 8.106 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.418 -5.185 10.189 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.029 -4.133 8.927 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.152 -3.893 9.038 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.806 -3.705 10.653 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.976 -1.780 10.120 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.239 -2.263 8.456 1.00 0.00 H new ATOM 0 HE ARG A 52 2.842 -1.690 8.008 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.465 -0.360 10.857 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.356 1.009 10.989 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.420 0.063 8.193 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.638 1.248 9.485 1.00 0.00 H new ATOM 765 N CYS A 53 2.335 -6.071 8.111 1.00 0.00 N ATOM 766 CA CYS A 53 1.060 -6.704 8.430 1.00 0.00 C ATOM 767 C CYS A 53 0.883 -7.970 7.601 1.00 0.00 C ATOM 768 O CYS A 53 -0.025 -8.772 7.826 1.00 0.00 O ATOM 769 CB CYS A 53 -0.022 -5.679 8.142 1.00 0.00 C ATOM 770 SG CYS A 53 0.728 -4.044 7.923 1.00 0.00 S ATOM 0 H CYS A 53 2.262 -5.314 7.431 1.00 0.00 H new ATOM 0 HA CYS A 53 1.011 -7.009 9.475 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -0.573 -5.960 7.245 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.740 -5.654 8.962 1.00 0.00 H new ATOM 775 N THR A 54 1.812 -8.149 6.680 1.00 0.00 N ATOM 776 CA THR A 54 1.856 -9.301 5.811 1.00 0.00 C ATOM 777 C THR A 54 2.074 -10.585 6.598 1.00 0.00 C ATOM 778 O THR A 54 1.410 -11.598 6.365 1.00 0.00 O ATOM 779 CB THR A 54 2.999 -9.127 4.812 1.00 0.00 C ATOM 780 OG1 THR A 54 3.754 -7.951 5.154 1.00 0.00 O ATOM 781 CG2 THR A 54 2.462 -8.999 3.406 1.00 0.00 C ATOM 0 H THR A 54 2.568 -7.484 6.515 1.00 0.00 H new ATOM 0 HA THR A 54 0.899 -9.377 5.294 1.00 0.00 H new ATOM 0 HB THR A 54 3.644 -10.005 4.856 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.489 -7.837 4.516 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.291 -8.876 2.710 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.901 -9.897 3.147 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.805 -8.131 3.345 1.00 0.00 H new ATOM 789 N CYS A 55 2.998 -10.523 7.541 1.00 0.00 N ATOM 790 CA CYS A 55 3.315 -11.655 8.388 1.00 0.00 C ATOM 791 C CYS A 55 3.385 -11.198 9.839 1.00 0.00 C ATOM 792 O CYS A 55 3.769 -10.060 10.107 1.00 0.00 O ATOM 793 CB CYS A 55 4.645 -12.275 7.960 1.00 0.00 C ATOM 794 SG CYS A 55 5.465 -11.408 6.600 1.00 0.00 S ATOM 0 H CYS A 55 3.548 -9.687 7.739 1.00 0.00 H new ATOM 0 HA CYS A 55 2.535 -12.410 8.289 1.00 0.00 H new ATOM 0 HB2 CYS A 55 5.316 -12.297 8.819 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.472 -13.310 7.664 1.00 0.00 H new ATOM 0 HG CYS A 55 6.582 -12.008 6.314 1.00 0.00 H new ATOM 800 N PRO A 56 2.952 -12.047 10.788 1.00 0.00 N ATOM 801 CA PRO A 56 2.897 -11.699 12.213 1.00 0.00 C ATOM 802 C PRO A 56 4.209 -11.107 12.727 1.00 0.00 C ATOM 803 O PRO A 56 5.217 -11.805 12.861 1.00 0.00 O ATOM 804 CB PRO A 56 2.600 -13.036 12.913 1.00 0.00 C ATOM 805 CG PRO A 56 2.709 -14.083 11.852 1.00 0.00 C ATOM 806 CD PRO A 56 2.425 -13.392 10.550 1.00 0.00 C ATOM 0 HA PRO A 56 2.147 -10.932 12.404 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.309 -13.221 13.720 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.605 -13.032 13.358 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.703 -14.530 11.847 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.998 -14.890 12.027 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.923 -13.881 9.713 1.00 0.00 H new ATOM 0 HD3 PRO A 56 1.359 -13.377 10.322 1.00 0.00 H new ATOM 814 N ALA A 57 4.183 -9.813 13.014 1.00 0.00 N ATOM 815 CA ALA A 57 5.351 -9.114 13.518 1.00 0.00 C ATOM 816 C ALA A 57 5.391 -9.187 15.038 1.00 0.00 C ATOM 817 O ALA A 57 5.065 -8.221 15.731 1.00 0.00 O ATOM 818 CB ALA A 57 5.353 -7.667 13.042 1.00 0.00 C ATOM 0 H ALA A 57 3.357 -9.224 12.904 1.00 0.00 H new ATOM 0 HA ALA A 57 6.246 -9.598 13.128 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.236 -7.158 13.429 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.369 -7.642 11.952 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.456 -7.164 13.403 1.00 0.00 H new ATOM 824 N LEU A 58 5.734 -10.364 15.540 1.00 0.00 N ATOM 825 CA LEU A 58 5.782 -10.608 16.974 1.00 0.00 C ATOM 826 C LEU A 58 6.879 -9.769 17.620 1.00 0.00 C ATOM 827 O LEU A 58 8.067 -10.011 17.389 1.00 0.00 O ATOM 828 CB LEU A 58 6.022 -12.094 17.252 1.00 0.00 C ATOM 829 CG LEU A 58 5.591 -13.044 16.131 1.00 0.00 C ATOM 830 CD1 LEU A 58 6.640 -14.119 15.909 1.00 0.00 C ATOM 831 CD2 LEU A 58 4.244 -13.669 16.449 1.00 0.00 C ATOM 0 H LEU A 58 5.985 -11.171 14.970 1.00 0.00 H new ATOM 0 HA LEU A 58 4.823 -10.321 17.406 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.084 -12.244 17.446 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.490 -12.368 18.163 1.00 0.00 H new ATOM 0 HG LEU A 58 5.492 -12.467 15.212 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.316 -14.784 15.109 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.586 -13.653 15.633 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.773 -14.693 16.826 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.955 -14.341 15.641 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.314 -14.231 17.380 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.495 -12.884 16.554 1.00 0.00 H new ATOM 843 N LYS A 59 6.466 -8.745 18.367 1.00 0.00 N ATOM 844 CA LYS A 59 7.391 -7.814 19.013 1.00 0.00 C ATOM 845 C LYS A 59 8.320 -7.174 17.987 1.00 0.00 C ATOM 846 O LYS A 59 9.544 -7.203 18.130 1.00 0.00 O ATOM 847 CB LYS A 59 8.199 -8.521 20.108 1.00 0.00 C ATOM 848 CG LYS A 59 7.362 -8.945 21.304 1.00 0.00 C ATOM 849 CD LYS A 59 7.063 -7.771 22.224 1.00 0.00 C ATOM 850 CE LYS A 59 5.894 -8.068 23.150 1.00 0.00 C ATOM 851 NZ LYS A 59 5.372 -6.834 23.797 1.00 0.00 N ATOM 0 H LYS A 59 5.483 -8.538 18.541 1.00 0.00 H new ATOM 0 HA LYS A 59 6.804 -7.024 19.480 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.680 -9.401 19.682 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.993 -7.857 20.448 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.426 -9.383 20.957 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.889 -9.719 21.861 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.948 -7.538 22.817 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.839 -6.888 21.626 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.095 -8.547 22.584 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.209 -8.775 23.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.576 -7.079 24.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.127 -6.390 24.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.047 -6.169 23.066 1.00 0.00 H new ATOM 865 N GLY A 60 7.730 -6.640 16.926 1.00 0.00 N ATOM 866 CA GLY A 60 8.514 -6.045 15.862 1.00 0.00 C ATOM 867 C GLY A 60 8.594 -4.535 15.970 1.00 0.00 C ATOM 868 O GLY A 60 8.496 -3.973 17.068 1.00 0.00 O ATOM 0 H GLY A 60 6.721 -6.608 16.783 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.521 -6.461 15.882 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.077 -6.314 14.900 1.00 0.00 H new ATOM 872 N LYS A 61 8.769 -3.879 14.830 1.00 0.00 N ATOM 873 CA LYS A 61 8.856 -2.425 14.776 1.00 0.00 C ATOM 874 C LYS A 61 7.464 -1.811 14.788 1.00 0.00 C ATOM 875 O LYS A 61 6.496 -2.530 14.471 1.00 0.00 O ATOM 876 CB LYS A 61 9.608 -1.977 13.518 1.00 0.00 C ATOM 877 CG LYS A 61 10.864 -2.784 13.229 1.00 0.00 C ATOM 878 CD LYS A 61 12.032 -2.329 14.086 1.00 0.00 C ATOM 879 CE LYS A 61 12.499 -3.435 15.015 1.00 0.00 C ATOM 880 NZ LYS A 61 12.702 -2.947 16.402 1.00 0.00 N ATOM 881 OXT LYS A 61 7.340 -0.615 15.126 1.00 0.00 O ATOM 0 H LYS A 61 8.854 -4.336 13.922 1.00 0.00 H new ATOM 0 HA LYS A 61 9.404 -2.084 15.654 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.938 -2.048 12.662 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.879 -0.927 13.624 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.668 -3.841 13.412 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.125 -2.686 12.175 1.00 0.00 H new ATOM 0 HD2 LYS A 61 12.857 -2.018 13.445 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.738 -1.459 14.673 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.765 -4.240 15.018 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.432 -3.855 14.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.021 -3.733 17.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.421 -2.196 16.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.806 -2.569 16.772 1.00 0.00 H new TER 895 LYS A 61 HETATM 896 ZN ZN A 62 -0.844 -2.469 7.765 1.00 0.00 ZN HETATM 897 ZN ZN A 63 3.623 7.894 -1.982 1.00 0.00 ZN