USER MOD reduce.3.24.130724 H: found=0, std=0, add=363, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 363 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 ASN : amide:sc= -1.49! C(o=0.96!,f=-2.5!) USER MOD Set 1.2: A 35 LYS NZ :NH3+ 159:sc= 2.45 (180deg=1.73) USER MOD Single : A 1 ASP N :NH3+ -122:sc= 0.255 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 114:sc= 1.4 USER MOD Single : A 6 ASN : amide:sc= 1.04 K(o=1,f=-8.1!) USER MOD Single : A 11 THR OG1 : rot -12:sc= 0.79 USER MOD Single : A 12 LYS NZ :NH3+ 167:sc= -0.0451 (180deg=-0.226) USER MOD Single : A 15 LYS NZ :NH3+ -155:sc= 1.22 (180deg=1.04) USER MOD Single : A 16 TYR OH : rot -100:sc= 1.2 USER MOD Single : A 18 SER OG : rot 65:sc= 1.04 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 78:sc= -0.0498 USER MOD Single : A 38 THR OG1 : rot 85:sc= 0.163 USER MOD Single : A 40 ASN : amide:sc= -0.333 X(o=-0.33,f=-0.35) USER MOD Single : A 47 TYR OH : rot 64:sc= 0.15 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -1.285 -6.214 13.811 1.00 0.00 N ATOM 2 CA ASP A 1 -2.737 -6.357 13.868 1.00 0.00 C ATOM 3 C ASP A 1 -3.366 -5.019 13.520 1.00 0.00 C ATOM 4 O ASP A 1 -2.633 -4.094 13.145 1.00 0.00 O ATOM 5 CB ASP A 1 -3.179 -6.845 15.251 1.00 0.00 C ATOM 6 CG ASP A 1 -4.563 -7.431 15.224 1.00 0.00 C ATOM 7 OD1 ASP A 1 -4.735 -8.571 14.738 1.00 0.00 O ATOM 8 OD2 ASP A 1 -5.506 -6.745 15.650 1.00 0.00 O ATOM 0 H1 ASP A 1 -0.896 -6.893 13.126 1.00 0.00 H new ATOM 0 H2 ASP A 1 -1.043 -5.247 13.515 1.00 0.00 H new ATOM 0 H3 ASP A 1 -0.881 -6.400 14.751 1.00 0.00 H new ATOM 0 HA ASP A 1 -3.068 -7.106 13.148 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -2.475 -7.594 15.614 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -3.151 -6.014 15.955 1.00 0.00 H new ATOM 15 N ARG A 2 -4.698 -4.895 13.659 1.00 0.00 N ATOM 16 CA ARG A 2 -5.442 -3.711 13.233 1.00 0.00 C ATOM 17 C ARG A 2 -5.327 -3.609 11.726 1.00 0.00 C ATOM 18 O ARG A 2 -4.957 -2.572 11.182 1.00 0.00 O ATOM 19 CB ARG A 2 -4.924 -2.419 13.912 1.00 0.00 C ATOM 20 CG ARG A 2 -5.301 -2.271 15.373 1.00 0.00 C ATOM 21 CD ARG A 2 -6.783 -2.015 15.523 1.00 0.00 C ATOM 22 NE ARG A 2 -7.218 -0.846 14.740 1.00 0.00 N ATOM 23 CZ ARG A 2 -8.334 -0.789 14.008 1.00 0.00 C ATOM 24 NH1 ARG A 2 -9.068 -1.883 13.824 1.00 0.00 N ATOM 25 NH2 ARG A 2 -8.678 0.350 13.418 1.00 0.00 N ATOM 0 H ARG A 2 -5.285 -5.620 14.072 1.00 0.00 H new ATOM 0 HA ARG A 2 -6.485 -3.815 13.534 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.838 -2.392 13.828 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.308 -1.559 13.364 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.027 -3.175 15.917 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.739 -1.449 15.817 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.338 -2.896 15.200 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -7.020 -1.856 16.575 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.623 -0.018 14.758 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -8.779 -2.767 14.242 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -9.920 -1.838 13.265 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.091 1.177 13.525 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -9.529 0.398 12.858 1.00 0.00 H new ATOM 39 N ILE A 3 -5.659 -4.704 11.061 1.00 0.00 N ATOM 40 CA ILE A 3 -5.486 -4.864 9.617 1.00 0.00 C ATOM 41 C ILE A 3 -6.549 -4.074 8.780 1.00 0.00 C ATOM 42 O ILE A 3 -7.101 -4.546 7.787 1.00 0.00 O ATOM 43 CB ILE A 3 -5.433 -6.395 9.245 1.00 0.00 C ATOM 44 CG1 ILE A 3 -4.760 -6.622 7.895 1.00 0.00 C ATOM 45 CG2 ILE A 3 -6.802 -7.079 9.306 1.00 0.00 C ATOM 46 CD1 ILE A 3 -3.263 -6.435 7.930 1.00 0.00 C ATOM 0 H ILE A 3 -6.064 -5.524 11.513 1.00 0.00 H new ATOM 0 HA ILE A 3 -4.530 -4.416 9.346 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.820 -6.868 10.012 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.984 -7.632 7.551 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.187 -5.935 7.165 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.696 -8.130 9.039 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.204 -7.000 10.316 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.483 -6.594 8.606 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.851 -6.612 6.937 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.031 -5.417 8.243 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.825 -7.141 8.636 1.00 0.00 H new ATOM 58 N CYS A 4 -6.776 -2.847 9.157 1.00 0.00 N ATOM 59 CA CYS A 4 -7.720 -2.020 8.471 1.00 0.00 C ATOM 60 C CYS A 4 -7.028 -1.042 7.569 1.00 0.00 C ATOM 61 O CYS A 4 -7.483 0.082 7.345 1.00 0.00 O ATOM 62 CB CYS A 4 -8.680 -1.353 9.429 1.00 0.00 C ATOM 63 SG CYS A 4 -10.149 -2.375 9.797 1.00 0.00 S ATOM 0 H CYS A 4 -6.312 -2.396 9.946 1.00 0.00 H new ATOM 0 HA CYS A 4 -8.326 -2.662 7.833 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -8.158 -1.128 10.359 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -9.003 -0.401 9.007 1.00 0.00 H new ATOM 68 N THR A 5 -5.934 -1.485 7.062 1.00 0.00 N ATOM 69 CA THR A 5 -5.156 -0.771 6.122 1.00 0.00 C ATOM 70 C THR A 5 -5.695 -1.082 4.717 1.00 0.00 C ATOM 71 O THR A 5 -6.443 -2.061 4.542 1.00 0.00 O ATOM 72 CB THR A 5 -3.703 -1.242 6.263 1.00 0.00 C ATOM 73 OG1 THR A 5 -3.683 -2.450 7.080 1.00 0.00 O ATOM 74 CG2 THR A 5 -2.853 -0.175 6.936 1.00 0.00 C ATOM 0 H THR A 5 -5.542 -2.395 7.303 1.00 0.00 H new ATOM 0 HA THR A 5 -5.205 0.305 6.289 1.00 0.00 H new ATOM 0 HB THR A 5 -3.295 -1.438 5.271 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.397 -3.211 6.532 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.827 -0.531 7.026 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.871 0.736 6.337 1.00 0.00 H new ATOM 0 HG23 THR A 5 -3.252 0.036 7.928 1.00 0.00 H new ATOM 82 N ASN A 6 -5.353 -0.279 3.749 1.00 0.00 N ATOM 83 CA ASN A 6 -5.819 -0.491 2.392 1.00 0.00 C ATOM 84 C ASN A 6 -4.658 -0.385 1.412 1.00 0.00 C ATOM 85 O ASN A 6 -3.636 0.242 1.698 1.00 0.00 O ATOM 86 CB ASN A 6 -6.964 0.477 2.024 1.00 0.00 C ATOM 87 CG ASN A 6 -6.525 1.908 1.762 1.00 0.00 C ATOM 88 OD1 ASN A 6 -6.229 2.283 0.621 1.00 0.00 O ATOM 89 ND2 ASN A 6 -6.491 2.715 2.801 1.00 0.00 N ATOM 0 H ASN A 6 -4.750 0.535 3.868 1.00 0.00 H new ATOM 0 HA ASN A 6 -6.228 -1.499 2.328 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -7.471 0.098 1.136 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -7.695 0.478 2.832 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -6.213 3.689 2.681 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -6.743 2.366 3.726 1.00 0.00 H new ATOM 96 N CYS A 7 -4.826 -0.999 0.280 1.00 0.00 N ATOM 97 CA CYS A 7 -3.804 -1.133 -0.732 1.00 0.00 C ATOM 98 C CYS A 7 -3.741 0.080 -1.661 1.00 0.00 C ATOM 99 O CYS A 7 -2.774 0.275 -2.361 1.00 0.00 O ATOM 100 CB CYS A 7 -4.112 -2.412 -1.530 1.00 0.00 C ATOM 101 SG CYS A 7 -3.239 -2.609 -3.126 1.00 0.00 S ATOM 0 H CYS A 7 -5.709 -1.439 0.019 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.827 -1.195 -0.252 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.874 -3.271 -0.903 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.185 -2.445 -1.722 1.00 0.00 H new ATOM 106 N CYS A 8 -4.746 0.896 -1.670 1.00 0.00 N ATOM 107 CA CYS A 8 -4.743 1.984 -2.616 1.00 0.00 C ATOM 108 C CYS A 8 -4.110 3.267 -2.078 1.00 0.00 C ATOM 109 O CYS A 8 -3.011 3.647 -2.508 1.00 0.00 O ATOM 110 CB CYS A 8 -6.134 2.258 -3.132 1.00 0.00 C ATOM 111 SG CYS A 8 -6.170 3.245 -4.679 1.00 0.00 S ATOM 0 H CYS A 8 -5.559 0.841 -1.057 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.112 1.654 -3.441 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.640 1.309 -3.306 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.699 2.784 -2.363 1.00 0.00 H new ATOM 116 N ALA A 9 -4.766 3.865 -1.085 1.00 0.00 N ATOM 117 CA ALA A 9 -4.489 5.224 -0.588 1.00 0.00 C ATOM 118 C ALA A 9 -3.207 5.358 0.285 1.00 0.00 C ATOM 119 O ALA A 9 -3.256 5.930 1.386 1.00 0.00 O ATOM 120 CB ALA A 9 -5.698 5.714 0.202 1.00 0.00 C ATOM 0 H ALA A 9 -5.529 3.409 -0.585 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.302 5.837 -1.470 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.505 6.720 0.576 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.574 5.729 -0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.880 5.044 1.042 1.00 0.00 H new ATOM 126 N GLY A 10 -2.091 4.831 -0.171 1.00 0.00 N ATOM 127 CA GLY A 10 -0.849 5.021 0.531 1.00 0.00 C ATOM 128 C GLY A 10 0.027 6.026 -0.197 1.00 0.00 C ATOM 129 O GLY A 10 -0.137 7.238 -0.034 1.00 0.00 O ATOM 0 H GLY A 10 -2.022 4.271 -1.021 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.047 5.370 1.544 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.325 4.069 0.618 1.00 0.00 H new ATOM 133 N THR A 11 0.925 5.533 -1.026 1.00 0.00 N ATOM 134 CA THR A 11 1.863 6.354 -1.802 1.00 0.00 C ATOM 135 C THR A 11 2.462 5.500 -2.934 1.00 0.00 C ATOM 136 O THR A 11 2.877 4.350 -2.700 1.00 0.00 O ATOM 137 CB THR A 11 3.033 6.898 -0.902 1.00 0.00 C ATOM 138 OG1 THR A 11 2.511 7.700 0.167 1.00 0.00 O ATOM 139 CG2 THR A 11 4.015 7.744 -1.708 1.00 0.00 C ATOM 0 H THR A 11 1.034 4.532 -1.190 1.00 0.00 H new ATOM 0 HA THR A 11 1.316 7.205 -2.207 1.00 0.00 H new ATOM 0 HB THR A 11 3.558 6.031 -0.501 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.564 7.888 0.002 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.809 8.102 -1.053 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.447 7.139 -2.505 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.491 8.595 -2.142 1.00 0.00 H new ATOM 147 N LYS A 12 2.475 6.035 -4.164 1.00 0.00 N ATOM 148 CA LYS A 12 3.081 5.328 -5.280 1.00 0.00 C ATOM 149 C LYS A 12 4.577 5.179 -5.028 1.00 0.00 C ATOM 150 O LYS A 12 5.210 6.075 -4.472 1.00 0.00 O ATOM 151 CB LYS A 12 2.810 6.027 -6.630 1.00 0.00 C ATOM 152 CG LYS A 12 3.418 7.417 -6.778 1.00 0.00 C ATOM 153 CD LYS A 12 3.378 7.877 -8.226 1.00 0.00 C ATOM 154 CE LYS A 12 3.992 9.259 -8.404 1.00 0.00 C ATOM 155 NZ LYS A 12 5.372 9.341 -7.878 1.00 0.00 N ATOM 0 H LYS A 12 2.076 6.944 -4.400 1.00 0.00 H new ATOM 0 HA LYS A 12 2.625 4.341 -5.349 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.192 5.394 -7.431 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.732 6.103 -6.771 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.874 8.125 -6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.449 7.407 -6.424 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.913 7.160 -8.849 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.345 7.892 -8.573 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.995 9.517 -9.463 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.370 9.997 -7.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.820 10.217 -8.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.348 9.341 -6.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.920 8.522 -8.211 1.00 0.00 H new ATOM 169 N GLY A 13 5.126 4.070 -5.416 1.00 0.00 N ATOM 170 CA GLY A 13 6.509 3.800 -5.131 1.00 0.00 C ATOM 171 C GLY A 13 6.660 2.873 -3.946 1.00 0.00 C ATOM 172 O GLY A 13 7.552 2.026 -3.926 1.00 0.00 O ATOM 0 H GLY A 13 4.642 3.335 -5.931 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.981 3.354 -6.006 1.00 0.00 H new ATOM 0 HA3 GLY A 13 7.030 4.736 -4.930 1.00 0.00 H new ATOM 176 N CYS A 14 5.783 3.011 -2.969 1.00 0.00 N ATOM 177 CA CYS A 14 5.824 2.166 -1.794 1.00 0.00 C ATOM 178 C CYS A 14 5.173 0.827 -2.099 1.00 0.00 C ATOM 179 O CYS A 14 4.243 0.750 -2.917 1.00 0.00 O ATOM 180 CB CYS A 14 5.138 2.852 -0.601 1.00 0.00 C ATOM 181 SG CYS A 14 5.956 4.403 -0.059 1.00 0.00 S ATOM 0 H CYS A 14 5.033 3.702 -2.968 1.00 0.00 H new ATOM 0 HA CYS A 14 6.865 1.994 -1.521 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.104 3.073 -0.867 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.110 2.156 0.238 1.00 0.00 H new ATOM 186 N LYS A 15 5.680 -0.220 -1.492 1.00 0.00 N ATOM 187 CA LYS A 15 5.171 -1.550 -1.697 1.00 0.00 C ATOM 188 C LYS A 15 4.210 -1.882 -0.576 1.00 0.00 C ATOM 189 O LYS A 15 4.618 -1.964 0.574 1.00 0.00 O ATOM 190 CB LYS A 15 6.322 -2.587 -1.670 1.00 0.00 C ATOM 191 CG LYS A 15 7.681 -2.089 -2.179 1.00 0.00 C ATOM 192 CD LYS A 15 8.038 -2.648 -3.544 1.00 0.00 C ATOM 193 CE LYS A 15 7.203 -2.019 -4.637 1.00 0.00 C ATOM 194 NZ LYS A 15 7.688 -2.383 -5.978 1.00 0.00 N ATOM 0 H LYS A 15 6.462 -0.170 -0.839 1.00 0.00 H new ATOM 0 HA LYS A 15 4.674 -1.589 -2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.445 -2.938 -0.646 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.024 -3.448 -2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.668 -1.000 -2.229 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.456 -2.366 -1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.095 -2.472 -3.745 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.889 -3.728 -3.546 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.165 -2.335 -4.528 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.219 -0.935 -4.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.405 -1.651 -6.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.725 -2.460 -5.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.277 -3.296 -6.260 1.00 0.00 H new ATOM 208 N TYR A 16 2.954 -2.043 -0.886 1.00 0.00 N ATOM 209 CA TYR A 16 1.992 -2.463 0.112 1.00 0.00 C ATOM 210 C TYR A 16 2.293 -3.898 0.404 1.00 0.00 C ATOM 211 O TYR A 16 2.232 -4.759 -0.486 1.00 0.00 O ATOM 212 CB TYR A 16 0.572 -2.267 -0.370 1.00 0.00 C ATOM 213 CG TYR A 16 0.291 -0.843 -0.734 1.00 0.00 C ATOM 214 CD1 TYR A 16 -0.022 0.106 0.234 1.00 0.00 C ATOM 215 CD2 TYR A 16 0.363 -0.441 -2.039 1.00 0.00 C ATOM 216 CE1 TYR A 16 -0.253 1.419 -0.119 1.00 0.00 C ATOM 217 CE2 TYR A 16 0.134 0.853 -2.391 1.00 0.00 C ATOM 218 CZ TYR A 16 -0.171 1.778 -1.446 1.00 0.00 C ATOM 219 OH TYR A 16 -0.408 3.075 -1.835 1.00 0.00 O ATOM 0 H TYR A 16 2.566 -1.892 -1.817 1.00 0.00 H new ATOM 0 HA TYR A 16 2.074 -1.861 1.017 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.393 -2.904 -1.236 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.121 -2.585 0.408 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -0.085 -0.188 1.271 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.606 -1.164 -2.804 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.495 2.155 0.634 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.195 1.146 -3.429 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.318 3.149 -2.190 1.00 0.00 H new ATOM 229 N PHE A 17 2.646 -4.146 1.607 1.00 0.00 N ATOM 230 CA PHE A 17 3.277 -5.357 1.957 1.00 0.00 C ATOM 231 C PHE A 17 2.539 -6.122 3.022 1.00 0.00 C ATOM 232 O PHE A 17 1.939 -5.556 3.944 1.00 0.00 O ATOM 233 CB PHE A 17 4.700 -4.967 2.360 1.00 0.00 C ATOM 234 CG PHE A 17 5.596 -5.972 2.989 1.00 0.00 C ATOM 235 CD1 PHE A 17 5.507 -6.277 4.333 1.00 0.00 C ATOM 236 CD2 PHE A 17 6.571 -6.571 2.239 1.00 0.00 C ATOM 237 CE1 PHE A 17 6.369 -7.179 4.902 1.00 0.00 C ATOM 238 CE2 PHE A 17 7.436 -7.464 2.796 1.00 0.00 C ATOM 239 CZ PHE A 17 7.335 -7.776 4.132 1.00 0.00 C ATOM 0 H PHE A 17 2.503 -3.504 2.387 1.00 0.00 H new ATOM 0 HA PHE A 17 3.286 -6.057 1.121 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.202 -4.601 1.464 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.623 -4.126 3.049 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.752 -5.801 4.941 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.656 -6.332 1.189 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.288 -7.418 5.952 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.200 -7.927 2.189 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.015 -8.489 4.574 1.00 0.00 H new ATOM 249 N SER A 18 2.597 -7.395 2.871 1.00 0.00 N ATOM 250 CA SER A 18 2.016 -8.338 3.774 1.00 0.00 C ATOM 251 C SER A 18 3.131 -8.783 4.687 1.00 0.00 C ATOM 252 O SER A 18 4.151 -9.281 4.216 1.00 0.00 O ATOM 253 CB SER A 18 1.470 -9.537 2.967 1.00 0.00 C ATOM 254 OG SER A 18 0.545 -10.312 3.709 1.00 0.00 O ATOM 0 H SER A 18 3.070 -7.834 2.081 1.00 0.00 H new ATOM 0 HA SER A 18 1.192 -7.910 4.345 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.988 -9.172 2.060 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.301 -10.169 2.654 1.00 0.00 H new ATOM 0 HG SER A 18 -0.251 -9.774 3.903 1.00 0.00 H new ATOM 260 N ASP A 19 2.953 -8.622 5.986 1.00 0.00 N ATOM 261 CA ASP A 19 4.033 -8.908 6.926 1.00 0.00 C ATOM 262 C ASP A 19 4.327 -10.394 6.918 1.00 0.00 C ATOM 263 O ASP A 19 5.474 -10.820 7.077 1.00 0.00 O ATOM 264 CB ASP A 19 3.734 -8.408 8.371 1.00 0.00 C ATOM 265 CG ASP A 19 3.063 -9.430 9.291 1.00 0.00 C ATOM 266 OD1 ASP A 19 3.791 -10.209 9.955 1.00 0.00 O ATOM 267 OD2 ASP A 19 1.819 -9.441 9.402 1.00 0.00 O ATOM 0 H ASP A 19 2.085 -8.300 6.414 1.00 0.00 H new ATOM 0 HA ASP A 19 4.912 -8.355 6.594 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.671 -8.091 8.829 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.096 -7.526 8.308 1.00 0.00 H new ATOM 272 N ASP A 20 3.291 -11.166 6.661 1.00 0.00 N ATOM 273 CA ASP A 20 3.380 -12.603 6.606 1.00 0.00 C ATOM 274 C ASP A 20 3.285 -13.111 5.162 1.00 0.00 C ATOM 275 O ASP A 20 3.053 -14.315 4.930 1.00 0.00 O ATOM 276 CB ASP A 20 2.282 -13.250 7.494 1.00 0.00 C ATOM 277 CG ASP A 20 0.871 -13.256 6.885 1.00 0.00 C ATOM 278 OD1 ASP A 20 0.326 -12.179 6.565 1.00 0.00 O ATOM 279 OD2 ASP A 20 0.268 -14.343 6.754 1.00 0.00 O ATOM 0 H ASP A 20 2.354 -10.805 6.483 1.00 0.00 H new ATOM 0 HA ASP A 20 4.355 -12.896 6.995 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.571 -14.278 7.711 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.248 -12.720 8.446 1.00 0.00 H new ATOM 284 N GLY A 21 3.526 -12.232 4.181 1.00 0.00 N ATOM 285 CA GLY A 21 3.387 -12.663 2.812 1.00 0.00 C ATOM 286 C GLY A 21 4.054 -11.776 1.769 1.00 0.00 C ATOM 287 O GLY A 21 3.695 -11.847 0.596 1.00 0.00 O ATOM 0 H GLY A 21 3.806 -11.260 4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.798 -13.669 2.724 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.325 -12.731 2.578 1.00 0.00 H new ATOM 291 N THR A 22 5.017 -10.961 2.192 1.00 0.00 N ATOM 292 CA THR A 22 5.784 -10.084 1.320 1.00 0.00 C ATOM 293 C THR A 22 4.893 -9.094 0.457 1.00 0.00 C ATOM 294 O THR A 22 3.714 -8.880 0.776 1.00 0.00 O ATOM 295 CB THR A 22 6.825 -10.945 0.512 1.00 0.00 C ATOM 296 OG1 THR A 22 8.132 -10.344 0.535 1.00 0.00 O ATOM 297 CG2 THR A 22 6.417 -11.267 -0.922 1.00 0.00 C ATOM 0 H THR A 22 5.290 -10.893 3.173 1.00 0.00 H new ATOM 0 HA THR A 22 6.353 -9.383 1.930 1.00 0.00 H new ATOM 0 HB THR A 22 6.851 -11.902 1.034 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.757 -10.902 0.027 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.196 -11.863 -1.397 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.483 -11.829 -0.917 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.279 -10.340 -1.478 1.00 0.00 H new ATOM 305 N PHE A 23 5.518 -8.403 -0.504 1.00 0.00 N ATOM 306 CA PHE A 23 4.865 -7.477 -1.449 1.00 0.00 C ATOM 307 C PHE A 23 3.498 -7.989 -1.952 1.00 0.00 C ATOM 308 O PHE A 23 3.378 -9.112 -2.468 1.00 0.00 O ATOM 309 CB PHE A 23 5.817 -7.237 -2.644 1.00 0.00 C ATOM 310 CG PHE A 23 5.222 -6.487 -3.810 1.00 0.00 C ATOM 311 CD1 PHE A 23 5.078 -5.119 -3.768 1.00 0.00 C ATOM 312 CD2 PHE A 23 4.820 -7.162 -4.953 1.00 0.00 C ATOM 313 CE1 PHE A 23 4.545 -4.433 -4.837 1.00 0.00 C ATOM 314 CE2 PHE A 23 4.284 -6.481 -6.022 1.00 0.00 C ATOM 315 CZ PHE A 23 4.146 -5.114 -5.965 1.00 0.00 C ATOM 0 H PHE A 23 6.525 -8.472 -0.654 1.00 0.00 H new ATOM 0 HA PHE A 23 4.665 -6.546 -0.919 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.688 -6.687 -2.287 1.00 0.00 H new ATOM 0 HB3 PHE A 23 6.175 -8.203 -3.001 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.387 -4.577 -2.886 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.929 -8.235 -5.005 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.440 -3.359 -4.790 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.972 -7.020 -6.905 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.726 -4.576 -6.802 1.00 0.00 H new ATOM 325 N VAL A 24 2.491 -7.163 -1.794 1.00 0.00 N ATOM 326 CA VAL A 24 1.155 -7.476 -2.251 1.00 0.00 C ATOM 327 C VAL A 24 0.831 -6.654 -3.488 1.00 0.00 C ATOM 328 O VAL A 24 0.557 -7.200 -4.559 1.00 0.00 O ATOM 329 CB VAL A 24 0.086 -7.180 -1.166 1.00 0.00 C ATOM 330 CG1 VAL A 24 -1.290 -7.626 -1.621 1.00 0.00 C ATOM 331 CG2 VAL A 24 0.438 -7.847 0.138 1.00 0.00 C ATOM 0 H VAL A 24 2.574 -6.252 -1.344 1.00 0.00 H new ATOM 0 HA VAL A 24 1.131 -8.542 -2.478 1.00 0.00 H new ATOM 0 HB VAL A 24 0.068 -6.101 -1.011 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.020 -7.407 -0.842 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.562 -7.094 -2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.279 -8.698 -1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.328 -7.623 0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.496 -8.925 -0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.401 -7.476 0.488 1.00 0.00 H new ATOM 341 N CYS A 25 0.891 -5.356 -3.348 1.00 0.00 N ATOM 342 CA CYS A 25 0.548 -4.455 -4.424 1.00 0.00 C ATOM 343 C CYS A 25 1.404 -3.213 -4.329 1.00 0.00 C ATOM 344 O CYS A 25 2.072 -2.999 -3.309 1.00 0.00 O ATOM 345 CB CYS A 25 -0.951 -4.115 -4.373 1.00 0.00 C ATOM 346 SG CYS A 25 -1.603 -3.731 -2.710 1.00 0.00 S ATOM 0 H CYS A 25 1.178 -4.891 -2.487 1.00 0.00 H new ATOM 0 HA CYS A 25 0.743 -4.933 -5.384 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -1.136 -3.261 -5.025 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.512 -4.955 -4.781 1.00 0.00 H new ATOM 351 N GLU A 26 1.440 -2.427 -5.373 1.00 0.00 N ATOM 352 CA GLU A 26 2.258 -1.242 -5.394 1.00 0.00 C ATOM 353 C GLU A 26 1.381 0.006 -5.383 1.00 0.00 C ATOM 354 O GLU A 26 0.171 -0.083 -5.606 1.00 0.00 O ATOM 355 CB GLU A 26 3.189 -1.251 -6.599 1.00 0.00 C ATOM 356 CG GLU A 26 4.455 -0.444 -6.399 1.00 0.00 C ATOM 357 CD GLU A 26 5.262 -0.343 -7.648 1.00 0.00 C ATOM 358 OE1 GLU A 26 4.903 0.460 -8.517 1.00 0.00 O ATOM 359 OE2 GLU A 26 6.274 -1.058 -7.780 1.00 0.00 O ATOM 0 H GLU A 26 0.907 -2.588 -6.228 1.00 0.00 H new ATOM 0 HA GLU A 26 2.877 -1.230 -4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.459 -2.281 -6.830 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.653 -0.860 -7.464 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.195 0.557 -6.055 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.057 -0.904 -5.616 1.00 0.00 H new ATOM 366 N GLY A 27 2.002 1.148 -5.091 1.00 0.00 N ATOM 367 CA GLY A 27 1.312 2.423 -4.954 1.00 0.00 C ATOM 368 C GLY A 27 0.406 2.816 -6.107 1.00 0.00 C ATOM 369 O GLY A 27 0.775 2.703 -7.278 1.00 0.00 O ATOM 0 H GLY A 27 3.009 1.211 -4.942 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.715 2.395 -4.042 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.059 3.206 -4.822 1.00 0.00 H new ATOM 373 N GLU A 28 -0.779 3.285 -5.765 1.00 0.00 N ATOM 374 CA GLU A 28 -1.744 3.774 -6.739 1.00 0.00 C ATOM 375 C GLU A 28 -2.125 5.235 -6.381 1.00 0.00 C ATOM 376 O GLU A 28 -3.043 5.843 -6.955 1.00 0.00 O ATOM 377 CB GLU A 28 -2.973 2.836 -6.747 1.00 0.00 C ATOM 378 CG GLU A 28 -3.960 3.059 -7.889 1.00 0.00 C ATOM 379 CD GLU A 28 -3.300 3.173 -9.245 1.00 0.00 C ATOM 380 OE1 GLU A 28 -2.909 2.140 -9.825 1.00 0.00 O ATOM 381 OE2 GLU A 28 -3.196 4.294 -9.772 1.00 0.00 O ATOM 0 H GLU A 28 -1.104 3.339 -4.800 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.320 3.775 -7.743 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.622 1.805 -6.789 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.504 2.953 -5.802 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.672 2.234 -7.909 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.530 3.968 -7.694 1.00 0.00 H new ATOM 388 N SER A 29 -1.402 5.784 -5.434 1.00 0.00 N ATOM 389 CA SER A 29 -1.612 7.126 -4.989 1.00 0.00 C ATOM 390 C SER A 29 -0.586 8.073 -5.597 1.00 0.00 C ATOM 391 O SER A 29 0.576 8.112 -5.163 1.00 0.00 O ATOM 392 CB SER A 29 -1.516 7.177 -3.476 1.00 0.00 C ATOM 393 OG SER A 29 -2.575 6.477 -2.872 1.00 0.00 O ATOM 0 H SER A 29 -0.645 5.300 -4.951 1.00 0.00 H new ATOM 0 HA SER A 29 -2.604 7.444 -5.311 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.566 6.750 -3.155 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.527 8.215 -3.144 1.00 0.00 H new ATOM 0 HG SER A 29 -2.394 5.515 -2.910 1.00 0.00 H new ATOM 399 N ASP A 30 -0.997 8.792 -6.603 1.00 0.00 N ATOM 400 CA ASP A 30 -0.181 9.822 -7.223 1.00 0.00 C ATOM 401 C ASP A 30 -0.789 11.162 -6.823 1.00 0.00 C ATOM 402 O ASP A 30 -2.001 11.250 -6.661 1.00 0.00 O ATOM 403 CB ASP A 30 -0.186 9.651 -8.759 1.00 0.00 C ATOM 404 CG ASP A 30 0.436 10.816 -9.505 1.00 0.00 C ATOM 405 OD1 ASP A 30 -0.262 11.795 -9.789 1.00 0.00 O ATOM 406 OD2 ASP A 30 1.627 10.776 -9.810 1.00 0.00 O ATOM 0 H ASP A 30 -1.918 8.685 -7.028 1.00 0.00 H new ATOM 0 HA ASP A 30 0.856 9.758 -6.895 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.352 8.738 -9.016 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.214 9.521 -9.098 1.00 0.00 H new ATOM 411 N PRO A 31 0.022 12.205 -6.589 1.00 0.00 N ATOM 412 CA PRO A 31 -0.486 13.528 -6.183 1.00 0.00 C ATOM 413 C PRO A 31 -1.512 14.144 -7.163 1.00 0.00 C ATOM 414 O PRO A 31 -2.413 14.879 -6.742 1.00 0.00 O ATOM 415 CB PRO A 31 0.779 14.406 -6.115 1.00 0.00 C ATOM 416 CG PRO A 31 1.836 13.634 -6.833 1.00 0.00 C ATOM 417 CD PRO A 31 1.495 12.189 -6.645 1.00 0.00 C ATOM 0 HA PRO A 31 -1.032 13.451 -5.243 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.611 15.374 -6.586 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.068 14.600 -5.082 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.858 13.895 -7.891 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.824 13.857 -6.429 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.862 11.577 -7.469 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.930 11.787 -5.730 1.00 0.00 H new ATOM 425 N ARG A 32 -1.406 13.807 -8.434 1.00 0.00 N ATOM 426 CA ARG A 32 -2.240 14.406 -9.464 1.00 0.00 C ATOM 427 C ARG A 32 -3.419 13.515 -9.805 1.00 0.00 C ATOM 428 O ARG A 32 -4.535 14.003 -10.010 1.00 0.00 O ATOM 429 CB ARG A 32 -1.430 14.609 -10.742 1.00 0.00 C ATOM 430 CG ARG A 32 -0.057 15.211 -10.534 1.00 0.00 C ATOM 431 CD ARG A 32 0.870 14.813 -11.658 1.00 0.00 C ATOM 432 NE ARG A 32 1.184 13.373 -11.628 1.00 0.00 N ATOM 433 CZ ARG A 32 1.970 12.745 -12.507 1.00 0.00 C ATOM 434 NH1 ARG A 32 2.321 13.342 -13.645 1.00 0.00 N ATOM 435 NH2 ARG A 32 2.352 11.498 -12.268 1.00 0.00 N ATOM 0 H ARG A 32 -0.744 13.114 -8.783 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.599 15.359 -9.075 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.318 13.646 -11.241 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.995 15.253 -11.415 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.133 16.297 -10.485 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.353 14.877 -9.581 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.410 15.064 -12.614 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.794 15.387 -11.587 1.00 0.00 H new ATOM 0 HE ARG A 32 0.771 12.815 -10.881 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.989 14.285 -13.850 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.921 12.857 -14.312 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.046 11.025 -11.418 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.952 11.012 -12.934 1.00 0.00 H new ATOM 449 N ASN A 33 -3.159 12.223 -9.895 1.00 0.00 N ATOM 450 CA ASN A 33 -4.156 11.238 -10.340 1.00 0.00 C ATOM 451 C ASN A 33 -5.438 11.221 -9.485 1.00 0.00 C ATOM 452 O ASN A 33 -5.399 11.404 -8.259 1.00 0.00 O ATOM 453 CB ASN A 33 -3.529 9.813 -10.498 1.00 0.00 C ATOM 454 CG ASN A 33 -3.506 8.919 -9.236 1.00 0.00 C ATOM 455 OD1 ASN A 33 -3.505 9.377 -8.096 1.00 0.00 O ATOM 456 ND2 ASN A 33 -3.429 7.638 -9.445 1.00 0.00 N ATOM 0 H ASN A 33 -2.253 11.816 -9.664 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.478 11.567 -11.328 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.077 9.285 -11.279 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.504 9.930 -10.851 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.366 6.995 -8.655 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.431 7.276 -10.399 1.00 0.00 H new ATOM 463 N PRO A 34 -6.602 11.090 -10.141 1.00 0.00 N ATOM 464 CA PRO A 34 -7.878 10.957 -9.448 1.00 0.00 C ATOM 465 C PRO A 34 -7.923 9.625 -8.715 1.00 0.00 C ATOM 466 O PRO A 34 -7.546 8.585 -9.276 1.00 0.00 O ATOM 467 CB PRO A 34 -8.918 10.993 -10.577 1.00 0.00 C ATOM 468 CG PRO A 34 -8.171 10.605 -11.803 1.00 0.00 C ATOM 469 CD PRO A 34 -6.764 11.082 -11.607 1.00 0.00 C ATOM 0 HA PRO A 34 -8.050 11.734 -8.704 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -9.738 10.303 -10.380 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -9.355 11.986 -10.679 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -8.199 9.525 -11.950 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -8.615 11.059 -12.689 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.045 10.418 -12.086 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.614 12.074 -12.032 1.00 0.00 H new ATOM 477 N LYS A 35 -8.365 9.638 -7.493 1.00 0.00 N ATOM 478 CA LYS A 35 -8.308 8.450 -6.687 1.00 0.00 C ATOM 479 C LYS A 35 -9.654 8.015 -6.135 1.00 0.00 C ATOM 480 O LYS A 35 -10.274 8.702 -5.291 1.00 0.00 O ATOM 481 CB LYS A 35 -7.246 8.577 -5.581 1.00 0.00 C ATOM 482 CG LYS A 35 -7.198 9.939 -4.891 1.00 0.00 C ATOM 483 CD LYS A 35 -5.956 10.076 -4.012 1.00 0.00 C ATOM 484 CE LYS A 35 -4.663 10.040 -4.830 1.00 0.00 C ATOM 485 NZ LYS A 35 -4.507 11.225 -5.702 1.00 0.00 N ATOM 0 H LYS A 35 -8.768 10.453 -7.031 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.004 7.647 -7.359 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.432 7.811 -4.828 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.267 8.369 -6.012 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.203 10.729 -5.642 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.093 10.072 -4.283 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.007 11.013 -3.457 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.942 9.271 -3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.811 9.977 -4.153 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.650 9.139 -5.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.505 11.342 -5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.068 11.095 -6.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.839 12.072 -5.199 1.00 0.00 H new ATOM 499 N ALA A 36 -10.108 6.903 -6.655 1.00 0.00 N ATOM 500 CA ALA A 36 -11.277 6.209 -6.191 1.00 0.00 C ATOM 501 C ALA A 36 -10.790 4.879 -5.634 1.00 0.00 C ATOM 502 O ALA A 36 -10.784 3.843 -6.315 1.00 0.00 O ATOM 503 CB ALA A 36 -12.260 6.005 -7.332 1.00 0.00 C ATOM 0 H ALA A 36 -9.654 6.441 -7.443 1.00 0.00 H new ATOM 0 HA ALA A 36 -11.804 6.777 -5.425 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -13.140 5.478 -6.964 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -12.558 6.974 -7.733 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.787 5.417 -8.119 1.00 0.00 H new ATOM 509 N CYS A 37 -10.328 4.923 -4.438 1.00 0.00 N ATOM 510 CA CYS A 37 -9.680 3.807 -3.824 1.00 0.00 C ATOM 511 C CYS A 37 -10.576 3.029 -2.894 1.00 0.00 C ATOM 512 O CYS A 37 -11.437 3.593 -2.220 1.00 0.00 O ATOM 513 CB CYS A 37 -8.464 4.308 -3.063 1.00 0.00 C ATOM 514 SG CYS A 37 -7.131 4.935 -4.134 1.00 0.00 S ATOM 0 H CYS A 37 -10.387 5.748 -3.841 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.394 3.119 -4.620 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.774 5.102 -2.383 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.072 3.497 -2.449 1.00 0.00 H new ATOM 519 N THR A 38 -10.392 1.725 -2.903 1.00 0.00 N ATOM 520 CA THR A 38 -11.013 0.852 -1.970 1.00 0.00 C ATOM 521 C THR A 38 -10.341 1.090 -0.617 1.00 0.00 C ATOM 522 O THR A 38 -9.138 0.867 -0.466 1.00 0.00 O ATOM 523 CB THR A 38 -10.784 -0.596 -2.419 1.00 0.00 C ATOM 524 OG1 THR A 38 -10.144 -0.585 -3.728 1.00 0.00 O ATOM 525 CG2 THR A 38 -12.100 -1.346 -2.507 1.00 0.00 C ATOM 0 H THR A 38 -9.793 1.249 -3.577 1.00 0.00 H new ATOM 0 HA THR A 38 -12.086 1.034 -1.902 1.00 0.00 H new ATOM 0 HB THR A 38 -10.149 -1.099 -1.690 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.174 -0.495 -3.617 1.00 0.00 H new ATOM 0 HG21 THR A 38 -11.914 -2.371 -2.827 1.00 0.00 H new ATOM 0 HG22 THR A 38 -12.581 -1.353 -1.529 1.00 0.00 H new ATOM 0 HG23 THR A 38 -12.752 -0.853 -3.228 1.00 0.00 H new ATOM 533 N LEU A 39 -11.092 1.571 0.327 1.00 0.00 N ATOM 534 CA LEU A 39 -10.565 1.941 1.624 1.00 0.00 C ATOM 535 C LEU A 39 -11.073 0.992 2.681 1.00 0.00 C ATOM 536 O LEU A 39 -11.347 1.382 3.825 1.00 0.00 O ATOM 537 CB LEU A 39 -10.963 3.381 1.960 1.00 0.00 C ATOM 538 CG LEU A 39 -9.867 4.446 1.836 1.00 0.00 C ATOM 539 CD1 LEU A 39 -9.287 4.484 0.436 1.00 0.00 C ATOM 540 CD2 LEU A 39 -10.428 5.799 2.199 1.00 0.00 C ATOM 0 H LEU A 39 -12.096 1.722 0.227 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.477 1.878 1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.789 3.666 1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.341 3.400 2.982 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.062 4.186 2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.513 5.250 0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.854 3.513 0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.076 4.716 -0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.646 6.553 2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.248 6.045 1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.795 5.777 3.225 1.00 0.00 H new ATOM 552 N ASN A 40 -11.192 -0.243 2.295 1.00 0.00 N ATOM 553 CA ASN A 40 -11.686 -1.289 3.164 1.00 0.00 C ATOM 554 C ASN A 40 -10.514 -1.953 3.837 1.00 0.00 C ATOM 555 O ASN A 40 -9.385 -1.862 3.339 1.00 0.00 O ATOM 556 CB ASN A 40 -12.467 -2.333 2.350 1.00 0.00 C ATOM 557 CG ASN A 40 -13.599 -1.730 1.543 1.00 0.00 C ATOM 558 OD1 ASN A 40 -14.216 -0.752 1.949 1.00 0.00 O ATOM 559 ND2 ASN A 40 -13.894 -2.314 0.408 1.00 0.00 N ATOM 0 H ASN A 40 -10.948 -0.565 1.358 1.00 0.00 H new ATOM 0 HA ASN A 40 -12.353 -0.856 3.909 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -11.782 -2.847 1.676 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -12.872 -3.085 3.027 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -14.657 -1.956 -0.166 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -13.361 -3.127 0.099 1.00 0.00 H new ATOM 566 N CYS A 41 -10.771 -2.609 4.947 1.00 0.00 N ATOM 567 CA CYS A 41 -9.740 -3.315 5.692 1.00 0.00 C ATOM 568 C CYS A 41 -9.240 -4.501 4.864 1.00 0.00 C ATOM 569 O CYS A 41 -9.966 -5.499 4.684 1.00 0.00 O ATOM 570 CB CYS A 41 -10.302 -3.786 7.053 1.00 0.00 C ATOM 571 SG CYS A 41 -11.145 -2.458 8.016 1.00 0.00 S ATOM 0 H CYS A 41 -11.700 -2.671 5.363 1.00 0.00 H new ATOM 0 HA CYS A 41 -8.901 -2.646 5.886 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -11.007 -4.600 6.882 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -9.486 -4.192 7.651 1.00 0.00 H new ATOM 576 N ASP A 42 -8.050 -4.361 4.305 1.00 0.00 N ATOM 577 CA ASP A 42 -7.465 -5.379 3.450 1.00 0.00 C ATOM 578 C ASP A 42 -6.500 -6.237 4.243 1.00 0.00 C ATOM 579 O ASP A 42 -5.422 -5.777 4.615 1.00 0.00 O ATOM 580 CB ASP A 42 -6.727 -4.742 2.273 1.00 0.00 C ATOM 581 CG ASP A 42 -6.358 -5.752 1.207 1.00 0.00 C ATOM 582 OD1 ASP A 42 -5.358 -6.487 1.362 1.00 0.00 O ATOM 583 OD2 ASP A 42 -7.062 -5.829 0.181 1.00 0.00 O ATOM 0 H ASP A 42 -7.462 -3.537 4.432 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.273 -6.001 3.065 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.353 -3.966 1.833 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.822 -4.254 2.636 1.00 0.00 H new ATOM 588 N PRO A 43 -6.857 -7.507 4.477 1.00 0.00 N ATOM 589 CA PRO A 43 -6.068 -8.443 5.303 1.00 0.00 C ATOM 590 C PRO A 43 -4.670 -8.772 4.751 1.00 0.00 C ATOM 591 O PRO A 43 -3.869 -9.415 5.432 1.00 0.00 O ATOM 592 CB PRO A 43 -6.930 -9.710 5.347 1.00 0.00 C ATOM 593 CG PRO A 43 -8.286 -9.266 4.934 1.00 0.00 C ATOM 594 CD PRO A 43 -8.076 -8.144 3.973 1.00 0.00 C ATOM 0 HA PRO A 43 -5.862 -7.998 6.277 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.543 -10.475 4.674 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -6.944 -10.143 6.347 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -8.838 -10.082 4.467 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.869 -8.938 5.795 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.951 -8.504 2.952 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -8.920 -7.454 3.967 1.00 0.00 H new ATOM 602 N ARG A 44 -4.383 -8.367 3.530 1.00 0.00 N ATOM 603 CA ARG A 44 -3.082 -8.618 2.977 1.00 0.00 C ATOM 604 C ARG A 44 -2.130 -7.487 3.260 1.00 0.00 C ATOM 605 O ARG A 44 -0.953 -7.710 3.480 1.00 0.00 O ATOM 606 CB ARG A 44 -3.128 -8.914 1.478 1.00 0.00 C ATOM 607 CG ARG A 44 -3.347 -10.379 1.149 1.00 0.00 C ATOM 608 CD ARG A 44 -2.353 -11.269 1.884 1.00 0.00 C ATOM 609 NE ARG A 44 -3.026 -12.163 2.836 1.00 0.00 N ATOM 610 CZ ARG A 44 -2.476 -12.663 3.961 1.00 0.00 C ATOM 611 NH1 ARG A 44 -1.254 -12.280 4.342 1.00 0.00 N ATOM 612 NH2 ARG A 44 -3.163 -13.529 4.703 1.00 0.00 N ATOM 0 H ARG A 44 -5.028 -7.870 2.915 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.711 -9.514 3.475 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.927 -8.326 1.026 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.194 -8.585 1.023 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.363 -10.666 1.419 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.248 -10.531 0.074 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.792 -11.862 1.162 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.632 -10.648 2.415 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.989 -12.427 2.629 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.733 -11.606 3.781 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.843 -12.661 5.194 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.101 -13.812 4.420 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.751 -13.910 5.555 1.00 0.00 H new ATOM 626 N ILE A 45 -2.620 -6.278 3.272 1.00 0.00 N ATOM 627 CA ILE A 45 -1.742 -5.166 3.460 1.00 0.00 C ATOM 628 C ILE A 45 -1.547 -4.868 4.946 1.00 0.00 C ATOM 629 O ILE A 45 -2.391 -4.262 5.606 1.00 0.00 O ATOM 630 CB ILE A 45 -2.176 -3.923 2.609 1.00 0.00 C ATOM 631 CG1 ILE A 45 -1.110 -2.791 2.602 1.00 0.00 C ATOM 632 CG2 ILE A 45 -3.565 -3.418 2.960 1.00 0.00 C ATOM 633 CD1 ILE A 45 -1.220 -1.753 3.708 1.00 0.00 C ATOM 0 H ILE A 45 -3.606 -6.044 3.156 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.758 -5.436 3.076 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.240 -4.280 1.581 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.123 -3.250 2.661 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.165 -2.276 1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.807 -2.557 2.337 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.295 -4.209 2.786 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.591 -3.125 4.010 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.423 -1.017 3.597 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.187 -1.254 3.643 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.129 -2.243 4.677 1.00 0.00 H new ATOM 645 N ALA A 46 -0.432 -5.326 5.463 1.00 0.00 N ATOM 646 CA ALA A 46 -0.100 -5.129 6.850 1.00 0.00 C ATOM 647 C ALA A 46 0.446 -3.733 7.046 1.00 0.00 C ATOM 648 O ALA A 46 0.140 -3.068 8.034 1.00 0.00 O ATOM 649 CB ALA A 46 0.908 -6.174 7.313 1.00 0.00 C ATOM 0 H ALA A 46 0.268 -5.845 4.933 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.001 -5.244 7.453 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.147 -6.009 8.364 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.482 -7.170 7.190 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.817 -6.092 6.717 1.00 0.00 H new ATOM 655 N TYR A 47 1.244 -3.294 6.096 1.00 0.00 N ATOM 656 CA TYR A 47 1.829 -1.970 6.098 1.00 0.00 C ATOM 657 C TYR A 47 2.485 -1.727 4.778 1.00 0.00 C ATOM 658 O TYR A 47 2.566 -2.633 3.947 1.00 0.00 O ATOM 659 CB TYR A 47 2.839 -1.748 7.266 1.00 0.00 C ATOM 660 CG TYR A 47 4.037 -2.696 7.338 1.00 0.00 C ATOM 661 CD1 TYR A 47 3.880 -4.052 7.618 1.00 0.00 C ATOM 662 CD2 TYR A 47 5.326 -2.216 7.155 1.00 0.00 C ATOM 663 CE1 TYR A 47 4.969 -4.896 7.708 1.00 0.00 C ATOM 664 CE2 TYR A 47 6.419 -3.057 7.241 1.00 0.00 C ATOM 665 CZ TYR A 47 6.234 -4.396 7.517 1.00 0.00 C ATOM 666 OH TYR A 47 7.328 -5.233 7.618 1.00 0.00 O ATOM 0 H TYR A 47 1.509 -3.856 5.287 1.00 0.00 H new ATOM 0 HA TYR A 47 1.025 -1.252 6.259 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.218 -0.728 7.197 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.292 -1.822 8.206 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.887 -4.450 7.767 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.477 -1.168 6.942 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.827 -5.944 7.927 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.415 -2.667 7.093 1.00 0.00 H new ATOM 0 HH TYR A 47 7.285 -5.914 6.915 1.00 0.00 H new ATOM 676 N GLY A 48 2.924 -0.535 4.568 1.00 0.00 N ATOM 677 CA GLY A 48 3.573 -0.212 3.342 1.00 0.00 C ATOM 678 C GLY A 48 5.056 -0.161 3.525 1.00 0.00 C ATOM 679 O GLY A 48 5.548 0.567 4.397 1.00 0.00 O ATOM 0 H GLY A 48 2.846 0.236 5.231 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.321 -0.954 2.585 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.214 0.750 2.977 1.00 0.00 H new ATOM 683 N VAL A 49 5.764 -0.945 2.760 1.00 0.00 N ATOM 684 CA VAL A 49 7.195 -0.943 2.778 1.00 0.00 C ATOM 685 C VAL A 49 7.677 -0.047 1.649 1.00 0.00 C ATOM 686 O VAL A 49 7.619 -0.402 0.478 1.00 0.00 O ATOM 687 CB VAL A 49 7.813 -2.392 2.676 1.00 0.00 C ATOM 688 CG1 VAL A 49 9.322 -2.341 2.455 1.00 0.00 C ATOM 689 CG2 VAL A 49 7.526 -3.147 3.954 1.00 0.00 C ATOM 0 H VAL A 49 5.357 -1.609 2.101 1.00 0.00 H new ATOM 0 HA VAL A 49 7.536 -0.557 3.738 1.00 0.00 H new ATOM 0 HB VAL A 49 7.359 -2.896 1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.715 -3.356 2.389 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.536 -1.808 1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.795 -1.822 3.289 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.951 -4.149 3.888 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.972 -2.618 4.797 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.448 -3.219 4.100 1.00 0.00 H new ATOM 699 N CYS A 50 8.050 1.135 1.999 1.00 0.00 N ATOM 700 CA CYS A 50 8.564 2.078 1.055 1.00 0.00 C ATOM 701 C CYS A 50 10.031 1.755 0.806 1.00 0.00 C ATOM 702 O CYS A 50 10.681 1.146 1.669 1.00 0.00 O ATOM 703 CB CYS A 50 8.378 3.505 1.593 1.00 0.00 C ATOM 704 SG CYS A 50 6.625 3.989 1.825 1.00 0.00 S ATOM 0 H CYS A 50 8.008 1.482 2.957 1.00 0.00 H new ATOM 0 HA CYS A 50 8.025 2.014 0.110 1.00 0.00 H new ATOM 0 HB2 CYS A 50 8.898 3.594 2.547 1.00 0.00 H new ATOM 0 HB3 CYS A 50 8.850 4.206 0.905 1.00 0.00 H new ATOM 709 N PRO A 51 10.576 2.112 -0.376 1.00 0.00 N ATOM 710 CA PRO A 51 11.970 1.814 -0.748 1.00 0.00 C ATOM 711 C PRO A 51 12.999 2.620 0.059 1.00 0.00 C ATOM 712 O PRO A 51 13.758 3.413 -0.486 1.00 0.00 O ATOM 713 CB PRO A 51 12.040 2.185 -2.241 1.00 0.00 C ATOM 714 CG PRO A 51 10.621 2.327 -2.669 1.00 0.00 C ATOM 715 CD PRO A 51 9.885 2.811 -1.465 1.00 0.00 C ATOM 0 HA PRO A 51 12.218 0.773 -0.542 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.593 3.112 -2.392 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.550 1.413 -2.816 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.529 3.033 -3.494 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.220 1.375 -3.017 1.00 0.00 H new ATOM 0 HD2 PRO A 51 9.948 3.894 -1.358 1.00 0.00 H new ATOM 0 HD3 PRO A 51 8.826 2.555 -1.505 1.00 0.00 H new ATOM 723 N ARG A 52 12.997 2.410 1.350 1.00 0.00 N ATOM 724 CA ARG A 52 13.940 3.019 2.252 1.00 0.00 C ATOM 725 C ARG A 52 14.593 1.905 3.068 1.00 0.00 C ATOM 726 O ARG A 52 15.288 2.137 4.061 1.00 0.00 O ATOM 727 CB ARG A 52 13.227 4.043 3.160 1.00 0.00 C ATOM 728 CG ARG A 52 14.145 5.059 3.860 1.00 0.00 C ATOM 729 CD ARG A 52 14.818 6.028 2.878 1.00 0.00 C ATOM 730 NE ARG A 52 15.923 5.403 2.142 1.00 0.00 N ATOM 731 CZ ARG A 52 16.020 5.341 0.806 1.00 0.00 C ATOM 732 NH1 ARG A 52 15.257 6.121 0.038 1.00 0.00 N ATOM 733 NH2 ARG A 52 16.932 4.556 0.244 1.00 0.00 N ATOM 0 H ARG A 52 12.325 1.798 1.813 1.00 0.00 H new ATOM 0 HA ARG A 52 14.707 3.563 1.700 1.00 0.00 H new ATOM 0 HB2 ARG A 52 12.500 4.590 2.560 1.00 0.00 H new ATOM 0 HB3 ARG A 52 12.668 3.500 3.922 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.563 5.629 4.584 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.913 4.524 4.419 1.00 0.00 H new ATOM 0 HD2 ARG A 52 14.076 6.396 2.170 1.00 0.00 H new ATOM 0 HD3 ARG A 52 15.193 6.893 3.425 1.00 0.00 H new ATOM 0 HE ARG A 52 16.675 4.984 2.689 1.00 0.00 H new ATOM 0 HH11 ARG A 52 14.596 6.769 0.467 1.00 0.00 H new ATOM 0 HH12 ARG A 52 15.335 6.070 -0.978 1.00 0.00 H new ATOM 0 HH21 ARG A 52 17.557 4.001 0.828 1.00 0.00 H new ATOM 0 HH22 ARG A 52 17.007 4.508 -0.772 1.00 0.00 H new ATOM 747 N SER A 53 14.354 0.701 2.616 1.00 0.00 N ATOM 748 CA SER A 53 14.864 -0.493 3.201 1.00 0.00 C ATOM 749 C SER A 53 15.323 -1.379 2.053 1.00 0.00 C ATOM 750 O SER A 53 14.548 -1.562 1.087 1.00 0.00 O ATOM 751 CB SER A 53 13.772 -1.188 4.038 1.00 0.00 C ATOM 752 OG SER A 53 13.271 -0.322 5.065 1.00 0.00 O ATOM 753 OXT SER A 53 16.487 -1.827 2.060 1.00 0.00 O ATOM 0 H SER A 53 13.773 0.528 1.795 1.00 0.00 H new ATOM 0 HA SER A 53 15.693 -0.282 3.876 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.953 -1.496 3.388 1.00 0.00 H new ATOM 0 HB3 SER A 53 14.178 -2.093 4.489 1.00 0.00 H new ATOM 0 HG SER A 53 12.579 -0.789 5.578 1.00 0.00 H new TER 759 SER A 53