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 29 SER OG : rot 44:sc= 1.26 USER MOD Set 1.2: A 35 LYS NZ :NH3+ 147:sc= 1.55 (180deg=-0.113) USER MOD Single : A 1 ASP N :NH3+ -125:sc= 0.159 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0.631 K(o=0.63,f=-6.4!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -150:sc= -0.531 (180deg=-1.99!) USER MOD Single : A 15 LYS NZ :NH3+ -147:sc= 1.34 (180deg=1.11) USER MOD Single : A 16 TYR OH : rot 70:sc=-0.00256 USER MOD Single : A 18 SER OG : rot 76:sc= 1.24 USER MOD Single : A 22 THR OG1 : rot 110:sc= 1.14 USER MOD Single : A 33 ASN : amide:sc= -0.248 X(o=-0.25,f=-0.0035) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.23 USER MOD Single : A 40 ASN : amide:sc= -1.55 K(o=-1.5,f=-2.4) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -9.793 -4.645 10.651 1.00 0.00 N ATOM 2 CA ASP A 1 -9.187 -3.972 11.793 1.00 0.00 C ATOM 3 C ASP A 1 -8.850 -2.537 11.410 1.00 0.00 C ATOM 4 O ASP A 1 -9.396 -2.030 10.437 1.00 0.00 O ATOM 5 CB ASP A 1 -7.939 -4.722 12.294 1.00 0.00 C ATOM 6 CG ASP A 1 -6.788 -4.664 11.329 1.00 0.00 C ATOM 7 OD1 ASP A 1 -6.760 -5.455 10.383 1.00 0.00 O ATOM 8 OD2 ASP A 1 -5.894 -3.816 11.511 1.00 0.00 O ATOM 0 H1 ASP A 1 -10.714 -5.039 10.929 1.00 0.00 H new ATOM 0 H2 ASP A 1 -9.928 -3.963 9.877 1.00 0.00 H new ATOM 0 H3 ASP A 1 -9.170 -5.414 10.330 1.00 0.00 H new ATOM 0 HA ASP A 1 -9.901 -3.964 12.616 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -7.627 -4.298 13.248 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -8.199 -5.765 12.478 1.00 0.00 H new ATOM 15 N ARG A 2 -7.940 -1.898 12.140 1.00 0.00 N ATOM 16 CA ARG A 2 -7.582 -0.506 11.896 1.00 0.00 C ATOM 17 C ARG A 2 -6.777 -0.310 10.600 1.00 0.00 C ATOM 18 O ARG A 2 -6.695 0.811 10.099 1.00 0.00 O ATOM 19 CB ARG A 2 -6.828 0.088 13.090 1.00 0.00 C ATOM 20 CG ARG A 2 -5.516 -0.599 13.401 1.00 0.00 C ATOM 21 CD ARG A 2 -4.887 -0.035 14.650 1.00 0.00 C ATOM 22 NE ARG A 2 -3.694 -0.779 15.032 1.00 0.00 N ATOM 23 CZ ARG A 2 -3.535 -1.421 16.202 1.00 0.00 C ATOM 24 NH1 ARG A 2 -4.535 -1.474 17.083 1.00 0.00 N ATOM 25 NH2 ARG A 2 -2.391 -2.032 16.470 1.00 0.00 N ATOM 0 H ARG A 2 -7.433 -2.329 12.913 1.00 0.00 H new ATOM 0 HA ARG A 2 -8.522 0.031 11.769 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.635 1.143 12.895 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -7.469 0.039 13.971 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.684 -1.669 13.526 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.832 -0.480 12.561 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.628 1.011 14.487 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.610 -0.061 15.466 1.00 0.00 H new ATOM 0 HE ARG A 2 -2.924 -0.815 14.364 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -5.426 -1.026 16.870 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -4.408 -1.963 17.969 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.632 -2.015 15.789 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.269 -2.520 17.358 1.00 0.00 H new ATOM 39 N ILE A 3 -6.163 -1.371 10.068 1.00 0.00 N ATOM 40 CA ILE A 3 -5.441 -1.231 8.813 1.00 0.00 C ATOM 41 C ILE A 3 -6.429 -1.020 7.645 1.00 0.00 C ATOM 42 O ILE A 3 -7.001 -1.958 7.095 1.00 0.00 O ATOM 43 CB ILE A 3 -4.404 -2.400 8.527 1.00 0.00 C ATOM 44 CG1 ILE A 3 -3.540 -2.092 7.310 1.00 0.00 C ATOM 45 CG2 ILE A 3 -5.042 -3.763 8.375 1.00 0.00 C ATOM 46 CD1 ILE A 3 -2.391 -1.179 7.615 1.00 0.00 C ATOM 0 H ILE A 3 -6.153 -2.306 10.476 1.00 0.00 H new ATOM 0 HA ILE A 3 -4.821 -0.339 8.907 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.776 -2.446 9.417 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.154 -3.026 6.901 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.161 -1.638 6.538 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.269 -4.507 8.182 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.573 -4.021 9.292 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.745 -3.745 7.542 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.817 -1.001 6.706 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.771 -0.231 7.996 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.749 -1.641 8.365 1.00 0.00 H new ATOM 58 N CYS A 4 -6.676 0.232 7.331 1.00 0.00 N ATOM 59 CA CYS A 4 -7.558 0.590 6.252 1.00 0.00 C ATOM 60 C CYS A 4 -6.784 1.069 5.069 1.00 0.00 C ATOM 61 O CYS A 4 -7.246 1.882 4.267 1.00 0.00 O ATOM 62 CB CYS A 4 -8.586 1.606 6.697 1.00 0.00 C ATOM 63 SG CYS A 4 -9.989 0.891 7.609 1.00 0.00 S ATOM 0 H CYS A 4 -6.268 1.029 7.820 1.00 0.00 H new ATOM 0 HA CYS A 4 -8.102 -0.305 5.949 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -8.098 2.349 7.327 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -8.966 2.131 5.820 1.00 0.00 H new ATOM 68 N THR A 5 -5.617 0.555 4.963 1.00 0.00 N ATOM 69 CA THR A 5 -4.766 0.871 3.898 1.00 0.00 C ATOM 70 C THR A 5 -5.019 -0.116 2.774 1.00 0.00 C ATOM 71 O THR A 5 -5.198 -1.319 3.013 1.00 0.00 O ATOM 72 CB THR A 5 -3.303 0.808 4.359 1.00 0.00 C ATOM 73 OG1 THR A 5 -3.230 1.238 5.738 1.00 0.00 O ATOM 74 CG2 THR A 5 -2.450 1.738 3.519 1.00 0.00 C ATOM 0 H THR A 5 -5.226 -0.109 5.631 1.00 0.00 H new ATOM 0 HA THR A 5 -4.962 1.883 3.544 1.00 0.00 H new ATOM 0 HB THR A 5 -2.938 -0.214 4.253 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.300 1.200 6.044 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.414 1.685 3.855 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.508 1.439 2.472 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.814 2.760 3.625 1.00 0.00 H new ATOM 82 N ASN A 6 -5.098 0.396 1.587 1.00 0.00 N ATOM 83 CA ASN A 6 -5.296 -0.401 0.407 1.00 0.00 C ATOM 84 C ASN A 6 -4.197 -0.045 -0.547 1.00 0.00 C ATOM 85 O ASN A 6 -3.628 1.044 -0.459 1.00 0.00 O ATOM 86 CB ASN A 6 -6.678 -0.133 -0.233 1.00 0.00 C ATOM 87 CG ASN A 6 -6.861 1.292 -0.733 1.00 0.00 C ATOM 88 OD1 ASN A 6 -6.529 1.619 -1.882 1.00 0.00 O ATOM 89 ND2 ASN A 6 -7.392 2.137 0.111 1.00 0.00 N ATOM 0 H ASN A 6 -5.026 1.396 1.402 1.00 0.00 H new ATOM 0 HA ASN A 6 -5.271 -1.461 0.659 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -6.821 -0.821 -1.066 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -7.455 -0.353 0.499 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.547 3.106 -0.167 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -7.651 1.827 1.048 1.00 0.00 H new ATOM 96 N CYS A 7 -3.868 -0.942 -1.422 1.00 0.00 N ATOM 97 CA CYS A 7 -2.789 -0.711 -2.346 1.00 0.00 C ATOM 98 C CYS A 7 -3.291 -0.028 -3.612 1.00 0.00 C ATOM 99 O CYS A 7 -2.494 0.471 -4.403 1.00 0.00 O ATOM 100 CB CYS A 7 -2.096 -2.031 -2.668 1.00 0.00 C ATOM 101 SG CYS A 7 -0.502 -1.884 -3.537 1.00 0.00 S ATOM 0 H CYS A 7 -4.329 -1.846 -1.521 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.065 -0.041 -1.882 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.934 -2.574 -1.737 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.768 -2.636 -3.277 1.00 0.00 H new ATOM 106 N CYS A 8 -4.622 0.025 -3.776 1.00 0.00 N ATOM 107 CA CYS A 8 -5.234 0.632 -4.957 1.00 0.00 C ATOM 108 C CYS A 8 -4.849 2.088 -5.046 1.00 0.00 C ATOM 109 O CYS A 8 -4.440 2.568 -6.097 1.00 0.00 O ATOM 110 CB CYS A 8 -6.753 0.513 -4.927 1.00 0.00 C ATOM 111 SG CYS A 8 -7.565 0.920 -6.528 1.00 0.00 S ATOM 0 H CYS A 8 -5.291 -0.347 -3.102 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.866 0.095 -5.831 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.022 -0.504 -4.643 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.144 1.174 -4.154 1.00 0.00 H new ATOM 116 N ALA A 9 -5.008 2.790 -3.958 1.00 0.00 N ATOM 117 CA ALA A 9 -4.570 4.155 -3.893 1.00 0.00 C ATOM 118 C ALA A 9 -3.126 4.174 -3.413 1.00 0.00 C ATOM 119 O ALA A 9 -2.189 4.107 -4.245 1.00 0.00 O ATOM 120 CB ALA A 9 -5.480 4.982 -2.995 1.00 0.00 C ATOM 0 H ALA A 9 -5.439 2.438 -3.103 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.623 4.610 -4.882 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.123 6.012 -2.965 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.496 4.961 -3.389 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.473 4.566 -1.988 1.00 0.00 H new ATOM 126 N GLY A 10 -2.952 4.193 -2.092 1.00 0.00 N ATOM 127 CA GLY A 10 -1.651 4.161 -1.480 1.00 0.00 C ATOM 128 C GLY A 10 -0.716 5.254 -1.953 1.00 0.00 C ATOM 129 O GLY A 10 -1.132 6.388 -2.203 1.00 0.00 O ATOM 0 H GLY A 10 -3.722 4.231 -1.424 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.768 4.241 -0.399 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.191 3.193 -1.680 1.00 0.00 H new ATOM 133 N THR A 11 0.538 4.917 -2.051 1.00 0.00 N ATOM 134 CA THR A 11 1.524 5.819 -2.530 1.00 0.00 C ATOM 135 C THR A 11 2.608 5.061 -3.287 1.00 0.00 C ATOM 136 O THR A 11 3.268 4.158 -2.731 1.00 0.00 O ATOM 137 CB THR A 11 2.136 6.713 -1.387 1.00 0.00 C ATOM 138 OG1 THR A 11 3.214 7.533 -1.894 1.00 0.00 O ATOM 139 CG2 THR A 11 2.636 5.883 -0.200 1.00 0.00 C ATOM 0 H THR A 11 0.900 3.998 -1.796 1.00 0.00 H new ATOM 0 HA THR A 11 1.031 6.506 -3.218 1.00 0.00 H new ATOM 0 HB THR A 11 1.329 7.354 -1.031 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.578 8.081 -1.167 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.048 6.547 0.560 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.806 5.317 0.224 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.410 5.194 -0.538 1.00 0.00 H new ATOM 147 N LYS A 12 2.691 5.352 -4.583 1.00 0.00 N ATOM 148 CA LYS A 12 3.744 4.862 -5.460 1.00 0.00 C ATOM 149 C LYS A 12 5.100 5.059 -4.813 1.00 0.00 C ATOM 150 O LYS A 12 5.554 6.199 -4.617 1.00 0.00 O ATOM 151 CB LYS A 12 3.730 5.630 -6.781 1.00 0.00 C ATOM 152 CG LYS A 12 2.836 5.058 -7.861 1.00 0.00 C ATOM 153 CD LYS A 12 2.837 5.940 -9.114 1.00 0.00 C ATOM 154 CE LYS A 12 4.037 5.682 -10.045 1.00 0.00 C ATOM 155 NZ LYS A 12 5.324 6.201 -9.520 1.00 0.00 N ATOM 0 H LYS A 12 2.013 5.947 -5.059 1.00 0.00 H new ATOM 0 HA LYS A 12 3.567 3.802 -5.641 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.418 6.655 -6.581 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.749 5.676 -7.165 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.173 4.054 -8.121 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.819 4.964 -7.481 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.914 5.771 -9.669 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.840 6.987 -8.812 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.130 4.609 -10.214 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.839 6.141 -11.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.942 6.465 -10.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.145 7.037 -8.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.788 5.466 -8.950 1.00 0.00 H new ATOM 169 N GLY A 13 5.719 3.980 -4.447 1.00 0.00 N ATOM 170 CA GLY A 13 7.010 4.059 -3.857 1.00 0.00 C ATOM 171 C GLY A 13 7.125 3.218 -2.623 1.00 0.00 C ATOM 172 O GLY A 13 8.160 2.642 -2.379 1.00 0.00 O ATOM 0 H GLY A 13 5.347 3.036 -4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.758 3.740 -4.582 1.00 0.00 H new ATOM 0 HA3 GLY A 13 7.230 5.097 -3.608 1.00 0.00 H new ATOM 176 N CYS A 14 6.067 3.122 -1.854 1.00 0.00 N ATOM 177 CA CYS A 14 6.119 2.344 -0.625 1.00 0.00 C ATOM 178 C CYS A 14 5.564 0.953 -0.855 1.00 0.00 C ATOM 179 O CYS A 14 4.483 0.790 -1.422 1.00 0.00 O ATOM 180 CB CYS A 14 5.402 3.062 0.523 1.00 0.00 C ATOM 181 SG CYS A 14 6.208 4.631 1.024 1.00 0.00 S ATOM 0 H CYS A 14 5.168 3.564 -2.047 1.00 0.00 H new ATOM 0 HA CYS A 14 7.163 2.242 -0.329 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.374 3.270 0.225 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.355 2.396 1.384 1.00 0.00 H new ATOM 186 N LYS A 15 6.299 -0.042 -0.406 1.00 0.00 N ATOM 187 CA LYS A 15 5.969 -1.421 -0.657 1.00 0.00 C ATOM 188 C LYS A 15 4.885 -1.892 0.289 1.00 0.00 C ATOM 189 O LYS A 15 5.151 -2.162 1.461 1.00 0.00 O ATOM 190 CB LYS A 15 7.211 -2.315 -0.490 1.00 0.00 C ATOM 191 CG LYS A 15 8.422 -1.903 -1.319 1.00 0.00 C ATOM 192 CD LYS A 15 9.586 -2.865 -1.099 1.00 0.00 C ATOM 193 CE LYS A 15 10.847 -2.430 -1.842 1.00 0.00 C ATOM 194 NZ LYS A 15 10.688 -2.470 -3.311 1.00 0.00 N ATOM 0 H LYS A 15 7.147 0.088 0.146 1.00 0.00 H new ATOM 0 HA LYS A 15 5.607 -1.495 -1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.496 -2.321 0.562 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.941 -3.338 -0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.155 -1.885 -2.376 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.725 -0.891 -1.049 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.801 -2.934 -0.033 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.298 -3.862 -1.431 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.112 -1.418 -1.537 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.675 -3.077 -1.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.596 -2.722 -3.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.972 -3.181 -3.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.384 -1.536 -3.653 1.00 0.00 H new ATOM 208 N TYR A 16 3.676 -1.955 -0.201 1.00 0.00 N ATOM 209 CA TYR A 16 2.585 -2.496 0.556 1.00 0.00 C ATOM 210 C TYR A 16 2.798 -3.971 0.652 1.00 0.00 C ATOM 211 O TYR A 16 2.774 -4.703 -0.355 1.00 0.00 O ATOM 212 CB TYR A 16 1.242 -2.123 -0.055 1.00 0.00 C ATOM 213 CG TYR A 16 0.935 -0.672 0.173 1.00 0.00 C ATOM 214 CD1 TYR A 16 0.570 -0.238 1.429 1.00 0.00 C ATOM 215 CD2 TYR A 16 1.049 0.266 -0.845 1.00 0.00 C ATOM 216 CE1 TYR A 16 0.327 1.082 1.680 1.00 0.00 C ATOM 217 CE2 TYR A 16 0.797 1.603 -0.603 1.00 0.00 C ATOM 218 CZ TYR A 16 0.437 2.002 0.669 1.00 0.00 C ATOM 219 OH TYR A 16 0.201 3.332 0.939 1.00 0.00 O ATOM 0 H TYR A 16 3.422 -1.633 -1.135 1.00 0.00 H new ATOM 0 HA TYR A 16 2.561 -2.072 1.560 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.254 -2.333 -1.125 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.456 -2.738 0.382 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.474 -0.956 2.230 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.338 -0.053 -1.836 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.049 1.401 2.673 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.881 2.328 -1.400 1.00 0.00 H new ATOM 0 HH TYR A 16 0.924 3.686 1.497 1.00 0.00 H new ATOM 229 N PHE A 17 3.063 -4.390 1.836 1.00 0.00 N ATOM 230 CA PHE A 17 3.553 -5.683 2.097 1.00 0.00 C ATOM 231 C PHE A 17 2.910 -6.302 3.325 1.00 0.00 C ATOM 232 O PHE A 17 2.476 -5.594 4.270 1.00 0.00 O ATOM 233 CB PHE A 17 5.085 -5.525 2.159 1.00 0.00 C ATOM 234 CG PHE A 17 5.889 -6.385 3.068 1.00 0.00 C ATOM 235 CD1 PHE A 17 6.378 -7.616 2.681 1.00 0.00 C ATOM 236 CD2 PHE A 17 6.221 -5.896 4.309 1.00 0.00 C ATOM 237 CE1 PHE A 17 7.190 -8.340 3.535 1.00 0.00 C ATOM 238 CE2 PHE A 17 7.009 -6.601 5.162 1.00 0.00 C ATOM 239 CZ PHE A 17 7.502 -7.824 4.784 1.00 0.00 C ATOM 0 H PHE A 17 2.939 -3.820 2.673 1.00 0.00 H new ATOM 0 HA PHE A 17 3.293 -6.402 1.320 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.467 -5.676 1.149 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.293 -4.489 2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.126 -8.015 1.709 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.847 -4.929 4.613 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.579 -9.301 3.231 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.247 -6.199 6.136 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.132 -8.385 5.458 1.00 0.00 H new ATOM 249 N SER A 18 2.786 -7.600 3.256 1.00 0.00 N ATOM 250 CA SER A 18 2.213 -8.409 4.275 1.00 0.00 C ATOM 251 C SER A 18 3.346 -8.873 5.192 1.00 0.00 C ATOM 252 O SER A 18 4.400 -9.316 4.704 1.00 0.00 O ATOM 253 CB SER A 18 1.546 -9.609 3.608 1.00 0.00 C ATOM 254 OG SER A 18 0.382 -10.017 4.295 1.00 0.00 O ATOM 0 H SER A 18 3.099 -8.138 2.448 1.00 0.00 H new ATOM 0 HA SER A 18 1.471 -7.862 4.857 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.290 -9.356 2.579 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.252 -10.439 3.566 1.00 0.00 H new ATOM 0 HG SER A 18 -0.349 -9.394 4.099 1.00 0.00 H new ATOM 260 N ASP A 19 3.109 -8.834 6.492 1.00 0.00 N ATOM 261 CA ASP A 19 4.150 -9.076 7.516 1.00 0.00 C ATOM 262 C ASP A 19 4.650 -10.512 7.531 1.00 0.00 C ATOM 263 O ASP A 19 5.699 -10.805 8.102 1.00 0.00 O ATOM 264 CB ASP A 19 3.681 -8.640 8.926 1.00 0.00 C ATOM 265 CG ASP A 19 2.867 -9.686 9.680 1.00 0.00 C ATOM 266 OD1 ASP A 19 1.674 -9.891 9.355 1.00 0.00 O ATOM 267 OD2 ASP A 19 3.387 -10.282 10.639 1.00 0.00 O ATOM 0 H ASP A 19 2.189 -8.634 6.884 1.00 0.00 H new ATOM 0 HA ASP A 19 4.997 -8.452 7.230 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.557 -8.383 9.522 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.083 -7.734 8.831 1.00 0.00 H new ATOM 272 N ASP A 20 3.927 -11.394 6.873 1.00 0.00 N ATOM 273 CA ASP A 20 4.324 -12.798 6.781 1.00 0.00 C ATOM 274 C ASP A 20 5.464 -12.964 5.768 1.00 0.00 C ATOM 275 O ASP A 20 6.150 -13.987 5.748 1.00 0.00 O ATOM 276 CB ASP A 20 3.130 -13.693 6.393 1.00 0.00 C ATOM 277 CG ASP A 20 2.937 -13.847 4.893 1.00 0.00 C ATOM 278 OD1 ASP A 20 2.728 -12.832 4.200 1.00 0.00 O ATOM 279 OD2 ASP A 20 2.958 -14.993 4.391 1.00 0.00 O ATOM 0 H ASP A 20 3.057 -11.170 6.390 1.00 0.00 H new ATOM 0 HA ASP A 20 4.675 -13.113 7.764 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.270 -14.680 6.835 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.220 -13.276 6.825 1.00 0.00 H new ATOM 284 N GLY A 21 5.671 -11.941 4.953 1.00 0.00 N ATOM 285 CA GLY A 21 6.718 -11.981 3.966 1.00 0.00 C ATOM 286 C GLY A 21 6.179 -11.943 2.557 1.00 0.00 C ATOM 287 O GLY A 21 6.835 -12.400 1.627 1.00 0.00 O ATOM 0 H GLY A 21 5.125 -11.079 4.962 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.390 -11.137 4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.308 -12.887 4.102 1.00 0.00 H new ATOM 291 N THR A 22 4.998 -11.394 2.387 1.00 0.00 N ATOM 292 CA THR A 22 4.402 -11.316 1.074 1.00 0.00 C ATOM 293 C THR A 22 4.306 -9.863 0.584 1.00 0.00 C ATOM 294 O THR A 22 3.492 -9.078 1.080 1.00 0.00 O ATOM 295 CB THR A 22 2.991 -11.962 1.063 1.00 0.00 C ATOM 296 OG1 THR A 22 3.055 -13.277 1.644 1.00 0.00 O ATOM 297 CG2 THR A 22 2.451 -12.071 -0.360 1.00 0.00 C ATOM 0 H THR A 22 4.434 -10.997 3.138 1.00 0.00 H new ATOM 0 HA THR A 22 5.052 -11.869 0.396 1.00 0.00 H new ATOM 0 HB THR A 22 2.322 -11.328 1.645 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.596 -13.275 2.510 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.461 -12.527 -0.340 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.383 -11.076 -0.801 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.122 -12.688 -0.958 1.00 0.00 H new ATOM 305 N PHE A 23 5.159 -9.502 -0.345 1.00 0.00 N ATOM 306 CA PHE A 23 5.088 -8.216 -0.997 1.00 0.00 C ATOM 307 C PHE A 23 3.865 -8.217 -1.911 1.00 0.00 C ATOM 308 O PHE A 23 3.653 -9.172 -2.678 1.00 0.00 O ATOM 309 CB PHE A 23 6.376 -7.966 -1.805 1.00 0.00 C ATOM 310 CG PHE A 23 6.313 -6.794 -2.759 1.00 0.00 C ATOM 311 CD1 PHE A 23 6.261 -5.493 -2.288 1.00 0.00 C ATOM 312 CD2 PHE A 23 6.310 -7.005 -4.131 1.00 0.00 C ATOM 313 CE1 PHE A 23 6.208 -4.429 -3.165 1.00 0.00 C ATOM 314 CE2 PHE A 23 6.256 -5.944 -5.012 1.00 0.00 C ATOM 315 CZ PHE A 23 6.205 -4.655 -4.528 1.00 0.00 C ATOM 0 H PHE A 23 5.924 -10.093 -0.671 1.00 0.00 H new ATOM 0 HA PHE A 23 4.996 -7.417 -0.261 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.199 -7.805 -1.108 1.00 0.00 H new ATOM 0 HB3 PHE A 23 6.611 -8.866 -2.373 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.262 -5.309 -1.224 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.350 -8.014 -4.515 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.169 -3.419 -2.786 1.00 0.00 H new ATOM 0 HE2 PHE A 23 6.254 -6.123 -6.077 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.163 -3.822 -5.214 1.00 0.00 H new ATOM 325 N VAL A 24 3.058 -7.195 -1.800 1.00 0.00 N ATOM 326 CA VAL A 24 1.857 -7.089 -2.590 1.00 0.00 C ATOM 327 C VAL A 24 2.115 -6.168 -3.782 1.00 0.00 C ATOM 328 O VAL A 24 2.216 -6.627 -4.923 1.00 0.00 O ATOM 329 CB VAL A 24 0.663 -6.557 -1.742 1.00 0.00 C ATOM 330 CG1 VAL A 24 -0.646 -6.692 -2.492 1.00 0.00 C ATOM 331 CG2 VAL A 24 0.585 -7.278 -0.395 1.00 0.00 C ATOM 0 H VAL A 24 3.213 -6.414 -1.162 1.00 0.00 H new ATOM 0 HA VAL A 24 1.588 -8.083 -2.947 1.00 0.00 H new ATOM 0 HB VAL A 24 0.838 -5.497 -1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.460 -6.312 -1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.596 -6.119 -3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.826 -7.742 -2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.257 -6.889 0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.447 -8.346 -0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.509 -7.114 0.160 1.00 0.00 H new ATOM 341 N CYS A 25 2.264 -4.890 -3.513 1.00 0.00 N ATOM 342 CA CYS A 25 2.521 -3.904 -4.547 1.00 0.00 C ATOM 343 C CYS A 25 3.119 -2.658 -3.934 1.00 0.00 C ATOM 344 O CYS A 25 2.881 -2.354 -2.780 1.00 0.00 O ATOM 345 CB CYS A 25 1.246 -3.581 -5.354 1.00 0.00 C ATOM 346 SG CYS A 25 -0.304 -3.698 -4.406 1.00 0.00 S ATOM 0 H CYS A 25 2.211 -4.502 -2.571 1.00 0.00 H new ATOM 0 HA CYS A 25 3.240 -4.323 -5.251 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.334 -2.572 -5.758 1.00 0.00 H new ATOM 0 HB3 CYS A 25 1.188 -4.261 -6.204 1.00 0.00 H new ATOM 351 N GLU A 26 3.894 -1.952 -4.699 1.00 0.00 N ATOM 352 CA GLU A 26 4.625 -0.789 -4.234 1.00 0.00 C ATOM 353 C GLU A 26 3.829 0.496 -4.498 1.00 0.00 C ATOM 354 O GLU A 26 4.376 1.521 -4.940 1.00 0.00 O ATOM 355 CB GLU A 26 5.963 -0.767 -4.955 1.00 0.00 C ATOM 356 CG GLU A 26 7.093 -0.092 -4.220 1.00 0.00 C ATOM 357 CD GLU A 26 8.413 -0.359 -4.886 1.00 0.00 C ATOM 358 OE1 GLU A 26 8.434 -0.654 -6.106 1.00 0.00 O ATOM 359 OE2 GLU A 26 9.458 -0.309 -4.216 1.00 0.00 O ATOM 0 H GLU A 26 4.046 -2.163 -5.685 1.00 0.00 H new ATOM 0 HA GLU A 26 4.784 -0.845 -3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.256 -1.795 -5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.829 -0.268 -5.915 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.914 0.982 -4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.124 -0.448 -3.190 1.00 0.00 H new ATOM 366 N GLY A 27 2.545 0.434 -4.219 1.00 0.00 N ATOM 367 CA GLY A 27 1.673 1.561 -4.441 1.00 0.00 C ATOM 368 C GLY A 27 1.235 1.644 -5.887 1.00 0.00 C ATOM 369 O GLY A 27 2.072 1.599 -6.805 1.00 0.00 O ATOM 0 H GLY A 27 2.082 -0.391 -3.836 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.797 1.477 -3.798 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.187 2.481 -4.161 1.00 0.00 H new ATOM 373 N GLU A 28 -0.054 1.725 -6.111 1.00 0.00 N ATOM 374 CA GLU A 28 -0.565 1.798 -7.460 1.00 0.00 C ATOM 375 C GLU A 28 -0.684 3.232 -7.947 1.00 0.00 C ATOM 376 O GLU A 28 -0.647 3.485 -9.150 1.00 0.00 O ATOM 377 CB GLU A 28 -1.904 1.089 -7.580 1.00 0.00 C ATOM 378 CG GLU A 28 -1.813 -0.416 -7.432 1.00 0.00 C ATOM 379 CD GLU A 28 -0.981 -1.059 -8.511 1.00 0.00 C ATOM 380 OE1 GLU A 28 -1.200 -0.764 -9.704 1.00 0.00 O ATOM 381 OE2 GLU A 28 -0.129 -1.912 -8.186 1.00 0.00 O ATOM 0 H GLU A 28 -0.766 1.742 -5.381 1.00 0.00 H new ATOM 0 HA GLU A 28 0.158 1.289 -8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.581 1.479 -6.820 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.344 1.324 -8.549 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.385 -0.656 -6.458 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.817 -0.840 -7.452 1.00 0.00 H new ATOM 388 N SER A 29 -0.819 4.173 -7.046 1.00 0.00 N ATOM 389 CA SER A 29 -0.956 5.535 -7.439 1.00 0.00 C ATOM 390 C SER A 29 -0.191 6.449 -6.528 1.00 0.00 C ATOM 391 O SER A 29 0.162 6.076 -5.412 1.00 0.00 O ATOM 392 CB SER A 29 -2.422 5.916 -7.472 1.00 0.00 C ATOM 393 OG SER A 29 -3.219 5.001 -6.727 1.00 0.00 O ATOM 0 H SER A 29 -0.836 4.012 -6.039 1.00 0.00 H new ATOM 0 HA SER A 29 -0.536 5.646 -8.439 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.546 6.921 -7.068 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.768 5.943 -8.505 1.00 0.00 H new ATOM 0 HG SER A 29 -2.780 4.804 -5.873 1.00 0.00 H new ATOM 399 N ASP A 30 0.117 7.601 -7.027 1.00 0.00 N ATOM 400 CA ASP A 30 0.771 8.619 -6.259 1.00 0.00 C ATOM 401 C ASP A 30 -0.313 9.473 -5.614 1.00 0.00 C ATOM 402 O ASP A 30 -1.236 9.886 -6.288 1.00 0.00 O ATOM 403 CB ASP A 30 1.649 9.452 -7.179 1.00 0.00 C ATOM 404 CG ASP A 30 2.418 10.513 -6.457 1.00 0.00 C ATOM 405 OD1 ASP A 30 1.910 11.646 -6.325 1.00 0.00 O ATOM 406 OD2 ASP A 30 3.559 10.242 -6.030 1.00 0.00 O ATOM 0 H ASP A 30 -0.079 7.869 -7.991 1.00 0.00 H new ATOM 0 HA ASP A 30 1.408 8.190 -5.485 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.347 8.795 -7.697 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.025 9.919 -7.941 1.00 0.00 H new ATOM 411 N PRO A 31 -0.220 9.745 -4.312 1.00 0.00 N ATOM 412 CA PRO A 31 -1.287 10.431 -3.558 1.00 0.00 C ATOM 413 C PRO A 31 -1.551 11.886 -3.977 1.00 0.00 C ATOM 414 O PRO A 31 -2.542 12.483 -3.547 1.00 0.00 O ATOM 415 CB PRO A 31 -0.793 10.375 -2.112 1.00 0.00 C ATOM 416 CG PRO A 31 0.682 10.238 -2.227 1.00 0.00 C ATOM 417 CD PRO A 31 0.917 9.405 -3.446 1.00 0.00 C ATOM 0 HA PRO A 31 -2.245 9.943 -3.736 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.066 11.277 -1.564 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.229 9.532 -1.576 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.160 11.213 -2.321 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.101 9.762 -1.341 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.869 9.645 -3.920 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.938 8.341 -3.209 1.00 0.00 H new ATOM 425 N ARG A 32 -0.686 12.451 -4.814 1.00 0.00 N ATOM 426 CA ARG A 32 -0.848 13.837 -5.238 1.00 0.00 C ATOM 427 C ARG A 32 -1.954 13.997 -6.274 1.00 0.00 C ATOM 428 O ARG A 32 -2.495 15.095 -6.458 1.00 0.00 O ATOM 429 CB ARG A 32 0.467 14.427 -5.721 1.00 0.00 C ATOM 430 CG ARG A 32 1.392 14.798 -4.583 1.00 0.00 C ATOM 431 CD ARG A 32 2.814 14.976 -5.054 1.00 0.00 C ATOM 432 NE ARG A 32 3.445 13.691 -5.388 1.00 0.00 N ATOM 433 CZ ARG A 32 4.765 13.470 -5.395 1.00 0.00 C ATOM 434 NH1 ARG A 32 5.608 14.439 -5.055 1.00 0.00 N ATOM 435 NH2 ARG A 32 5.232 12.266 -5.703 1.00 0.00 N ATOM 0 H ARG A 32 0.126 11.976 -5.208 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.159 14.404 -4.361 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.967 13.708 -6.370 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.264 15.313 -6.323 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.045 15.721 -4.118 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.357 14.022 -3.818 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.828 15.626 -5.929 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.394 15.474 -4.277 1.00 0.00 H new ATOM 0 HE ARG A 32 2.833 12.912 -5.632 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.250 15.356 -4.787 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.613 14.266 -5.062 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.585 11.512 -5.934 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.238 12.095 -5.709 1.00 0.00 H new ATOM 449 N ASN A 33 -2.263 12.942 -6.984 1.00 0.00 N ATOM 450 CA ASN A 33 -3.401 12.974 -7.868 1.00 0.00 C ATOM 451 C ASN A 33 -4.609 12.484 -7.100 1.00 0.00 C ATOM 452 O ASN A 33 -4.467 11.653 -6.199 1.00 0.00 O ATOM 453 CB ASN A 33 -3.190 12.188 -9.190 1.00 0.00 C ATOM 454 CG ASN A 33 -3.051 10.689 -9.039 1.00 0.00 C ATOM 455 OD1 ASN A 33 -4.036 9.949 -8.990 1.00 0.00 O ATOM 456 ND2 ASN A 33 -1.840 10.233 -8.998 1.00 0.00 N ATOM 0 H ASN A 33 -1.750 12.060 -6.969 1.00 0.00 H new ATOM 0 HA ASN A 33 -3.554 14.003 -8.193 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.031 12.393 -9.853 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.296 12.571 -9.682 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.675 9.229 -8.923 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.051 10.878 -9.041 1.00 0.00 H new ATOM 463 N PRO A 34 -5.794 13.022 -7.386 1.00 0.00 N ATOM 464 CA PRO A 34 -7.001 12.640 -6.682 1.00 0.00 C ATOM 465 C PRO A 34 -7.508 11.253 -7.100 1.00 0.00 C ATOM 466 O PRO A 34 -8.383 11.126 -7.965 1.00 0.00 O ATOM 467 CB PRO A 34 -8.020 13.729 -7.046 1.00 0.00 C ATOM 468 CG PRO A 34 -7.471 14.453 -8.236 1.00 0.00 C ATOM 469 CD PRO A 34 -6.033 14.042 -8.414 1.00 0.00 C ATOM 0 HA PRO A 34 -6.828 12.565 -5.608 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -8.991 13.289 -7.275 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.169 14.414 -6.211 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -8.049 14.211 -9.128 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.543 15.531 -8.092 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.858 13.643 -9.413 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.362 14.892 -8.289 1.00 0.00 H new ATOM 477 N LYS A 35 -6.970 10.236 -6.483 1.00 0.00 N ATOM 478 CA LYS A 35 -7.343 8.877 -6.745 1.00 0.00 C ATOM 479 C LYS A 35 -8.391 8.446 -5.736 1.00 0.00 C ATOM 480 O LYS A 35 -8.218 8.631 -4.524 1.00 0.00 O ATOM 481 CB LYS A 35 -6.104 7.961 -6.654 1.00 0.00 C ATOM 482 CG LYS A 35 -6.407 6.460 -6.680 1.00 0.00 C ATOM 483 CD LYS A 35 -6.893 6.004 -8.043 1.00 0.00 C ATOM 484 CE LYS A 35 -5.784 5.328 -8.835 1.00 0.00 C ATOM 485 NZ LYS A 35 -5.386 4.032 -8.237 1.00 0.00 N ATOM 0 H LYS A 35 -6.246 10.333 -5.771 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.756 8.799 -7.751 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.435 8.196 -7.482 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.566 8.192 -5.734 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.509 5.904 -6.410 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.163 6.229 -5.929 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.727 5.313 -7.920 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.269 6.861 -8.601 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.117 5.167 -9.860 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.917 5.988 -8.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.101 3.375 -8.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.588 4.180 -7.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.189 3.630 -7.713 1.00 0.00 H new ATOM 499 N ALA A 36 -9.475 7.928 -6.227 1.00 0.00 N ATOM 500 CA ALA A 36 -10.528 7.417 -5.386 1.00 0.00 C ATOM 501 C ALA A 36 -10.782 5.958 -5.710 1.00 0.00 C ATOM 502 O ALA A 36 -11.428 5.620 -6.721 1.00 0.00 O ATOM 503 CB ALA A 36 -11.802 8.237 -5.537 1.00 0.00 C ATOM 0 H ALA A 36 -9.661 7.845 -7.227 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.211 7.497 -4.346 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.578 7.827 -4.890 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.604 9.271 -5.256 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -12.137 8.201 -6.573 1.00 0.00 H new ATOM 509 N CYS A 37 -10.248 5.109 -4.894 1.00 0.00 N ATOM 510 CA CYS A 37 -10.406 3.687 -5.034 1.00 0.00 C ATOM 511 C CYS A 37 -11.343 3.200 -3.953 1.00 0.00 C ATOM 512 O CYS A 37 -11.958 4.012 -3.239 1.00 0.00 O ATOM 513 CB CYS A 37 -9.050 2.982 -4.877 1.00 0.00 C ATOM 514 SG CYS A 37 -8.028 2.901 -6.390 1.00 0.00 S ATOM 0 H CYS A 37 -9.678 5.383 -4.094 1.00 0.00 H new ATOM 0 HA CYS A 37 -10.808 3.462 -6.022 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.481 3.495 -4.102 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -9.227 1.966 -4.524 1.00 0.00 H new ATOM 519 N THR A 38 -11.486 1.912 -3.844 1.00 0.00 N ATOM 520 CA THR A 38 -12.203 1.324 -2.781 1.00 0.00 C ATOM 521 C THR A 38 -11.409 1.567 -1.498 1.00 0.00 C ATOM 522 O THR A 38 -10.179 1.500 -1.510 1.00 0.00 O ATOM 523 CB THR A 38 -12.301 -0.170 -3.056 1.00 0.00 C ATOM 524 OG1 THR A 38 -11.792 -0.415 -4.392 1.00 0.00 O ATOM 525 CG2 THR A 38 -13.743 -0.637 -2.967 1.00 0.00 C ATOM 0 H THR A 38 -11.097 1.241 -4.507 1.00 0.00 H new ATOM 0 HA THR A 38 -13.204 1.745 -2.683 1.00 0.00 H new ATOM 0 HB THR A 38 -11.720 -0.719 -2.315 1.00 0.00 H new ATOM 0 HG1 THR A 38 -11.844 -1.373 -4.591 1.00 0.00 H new ATOM 0 HG21 THR A 38 -13.792 -1.707 -3.167 1.00 0.00 H new ATOM 0 HG22 THR A 38 -14.129 -0.436 -1.968 1.00 0.00 H new ATOM 0 HG23 THR A 38 -14.344 -0.103 -3.703 1.00 0.00 H new ATOM 533 N LEU A 39 -12.082 1.794 -0.404 1.00 0.00 N ATOM 534 CA LEU A 39 -11.427 2.114 0.843 1.00 0.00 C ATOM 535 C LEU A 39 -11.266 0.842 1.608 1.00 0.00 C ATOM 536 O LEU A 39 -11.664 0.710 2.769 1.00 0.00 O ATOM 537 CB LEU A 39 -12.216 3.158 1.644 1.00 0.00 C ATOM 538 CG LEU A 39 -11.381 4.294 2.270 1.00 0.00 C ATOM 539 CD1 LEU A 39 -10.459 3.772 3.364 1.00 0.00 C ATOM 540 CD2 LEU A 39 -10.575 5.010 1.199 1.00 0.00 C ATOM 0 H LEU A 39 -13.100 1.763 -0.347 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.452 2.560 0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.965 3.602 0.988 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.754 2.646 2.442 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.073 5.002 2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.886 4.599 3.783 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.054 3.308 4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.776 3.034 2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.991 5.809 1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.903 4.301 0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.252 5.434 0.457 1.00 0.00 H new ATOM 552 N ASN A 40 -10.790 -0.112 0.878 1.00 0.00 N ATOM 553 CA ASN A 40 -10.486 -1.435 1.352 1.00 0.00 C ATOM 554 C ASN A 40 -9.571 -1.364 2.531 1.00 0.00 C ATOM 555 O ASN A 40 -8.434 -0.902 2.416 1.00 0.00 O ATOM 556 CB ASN A 40 -9.778 -2.267 0.262 1.00 0.00 C ATOM 557 CG ASN A 40 -10.604 -2.504 -0.981 1.00 0.00 C ATOM 558 OD1 ASN A 40 -11.832 -2.563 -0.929 1.00 0.00 O ATOM 559 ND2 ASN A 40 -9.945 -2.624 -2.106 1.00 0.00 N ATOM 0 H ASN A 40 -10.590 0.009 -0.115 1.00 0.00 H new ATOM 0 HA ASN A 40 -11.431 -1.906 1.623 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.855 -1.761 -0.021 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.496 -3.231 0.685 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.450 -2.772 -2.980 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.926 -2.569 -2.109 1.00 0.00 H new ATOM 566 N CYS A 41 -10.064 -1.748 3.663 1.00 0.00 N ATOM 567 CA CYS A 41 -9.223 -1.915 4.803 1.00 0.00 C ATOM 568 C CYS A 41 -8.589 -3.288 4.646 1.00 0.00 C ATOM 569 O CYS A 41 -9.052 -4.272 5.226 1.00 0.00 O ATOM 570 CB CYS A 41 -10.053 -1.787 6.096 1.00 0.00 C ATOM 571 SG CYS A 41 -10.986 -0.205 6.212 1.00 0.00 S ATOM 0 H CYS A 41 -11.050 -1.953 3.823 1.00 0.00 H new ATOM 0 HA CYS A 41 -8.449 -1.150 4.872 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -10.755 -2.619 6.152 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -9.388 -1.872 6.956 1.00 0.00 H new ATOM 576 N ASP A 42 -7.569 -3.340 3.781 1.00 0.00 N ATOM 577 CA ASP A 42 -6.971 -4.585 3.312 1.00 0.00 C ATOM 578 C ASP A 42 -6.180 -5.285 4.391 1.00 0.00 C ATOM 579 O ASP A 42 -5.126 -4.810 4.801 1.00 0.00 O ATOM 580 CB ASP A 42 -6.078 -4.323 2.081 1.00 0.00 C ATOM 581 CG ASP A 42 -5.667 -5.595 1.354 1.00 0.00 C ATOM 582 OD1 ASP A 42 -6.278 -6.659 1.594 1.00 0.00 O ATOM 583 OD2 ASP A 42 -4.747 -5.539 0.495 1.00 0.00 O ATOM 0 H ASP A 42 -7.134 -2.506 3.386 1.00 0.00 H new ATOM 0 HA ASP A 42 -7.790 -5.247 3.030 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.610 -3.672 1.387 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.183 -3.788 2.398 1.00 0.00 H new ATOM 588 N PRO A 43 -6.669 -6.455 4.854 1.00 0.00 N ATOM 589 CA PRO A 43 -6.000 -7.244 5.889 1.00 0.00 C ATOM 590 C PRO A 43 -4.729 -7.882 5.351 1.00 0.00 C ATOM 591 O PRO A 43 -3.846 -8.273 6.106 1.00 0.00 O ATOM 592 CB PRO A 43 -7.032 -8.337 6.238 1.00 0.00 C ATOM 593 CG PRO A 43 -8.312 -7.877 5.627 1.00 0.00 C ATOM 594 CD PRO A 43 -7.917 -7.103 4.415 1.00 0.00 C ATOM 0 HA PRO A 43 -5.702 -6.640 6.746 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.730 -9.305 5.838 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.131 -8.455 7.317 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -8.948 -8.722 5.363 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.878 -7.257 6.322 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.758 -7.750 3.552 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -8.676 -6.374 4.132 1.00 0.00 H new ATOM 602 N ARG A 44 -4.646 -7.950 4.029 1.00 0.00 N ATOM 603 CA ARG A 44 -3.509 -8.518 3.329 1.00 0.00 C ATOM 604 C ARG A 44 -2.304 -7.588 3.473 1.00 0.00 C ATOM 605 O ARG A 44 -1.156 -8.009 3.378 1.00 0.00 O ATOM 606 CB ARG A 44 -3.879 -8.707 1.853 1.00 0.00 C ATOM 607 CG ARG A 44 -2.767 -9.199 0.960 1.00 0.00 C ATOM 608 CD ARG A 44 -2.844 -8.533 -0.398 1.00 0.00 C ATOM 609 NE ARG A 44 -3.840 -9.133 -1.297 1.00 0.00 N ATOM 610 CZ ARG A 44 -4.835 -8.462 -1.903 1.00 0.00 C ATOM 611 NH1 ARG A 44 -5.174 -7.246 -1.503 1.00 0.00 N ATOM 612 NH2 ARG A 44 -5.536 -9.052 -2.862 1.00 0.00 N ATOM 0 H ARG A 44 -5.378 -7.607 3.407 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.247 -9.486 3.755 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.708 -9.412 1.792 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.240 -7.755 1.463 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.802 -8.988 1.421 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.836 -10.281 0.846 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.080 -7.478 -0.262 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.864 -8.582 -0.872 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.771 -10.135 -1.475 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.678 -6.808 -0.727 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.931 -6.748 -1.971 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.319 -10.010 -3.136 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.292 -8.548 -3.325 1.00 0.00 H new ATOM 626 N ILE A 45 -2.573 -6.339 3.715 1.00 0.00 N ATOM 627 CA ILE A 45 -1.542 -5.381 3.905 1.00 0.00 C ATOM 628 C ILE A 45 -1.291 -5.220 5.373 1.00 0.00 C ATOM 629 O ILE A 45 -2.211 -5.005 6.159 1.00 0.00 O ATOM 630 CB ILE A 45 -1.892 -4.020 3.243 1.00 0.00 C ATOM 631 CG1 ILE A 45 -1.779 -4.174 1.737 1.00 0.00 C ATOM 632 CG2 ILE A 45 -0.968 -2.893 3.735 1.00 0.00 C ATOM 633 CD1 ILE A 45 -2.244 -2.967 0.955 1.00 0.00 C ATOM 0 H ILE A 45 -3.518 -5.962 3.785 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.635 -5.739 3.419 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.909 -3.743 3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.740 -4.381 1.481 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.362 -5.041 1.427 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.245 -1.957 3.249 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.069 -2.785 4.815 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.066 -3.137 3.490 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.130 -3.159 -0.112 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.293 -2.770 1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.645 -2.100 1.234 1.00 0.00 H new ATOM 645 N ALA A 46 -0.063 -5.393 5.746 1.00 0.00 N ATOM 646 CA ALA A 46 0.331 -5.205 7.110 1.00 0.00 C ATOM 647 C ALA A 46 0.680 -3.765 7.287 1.00 0.00 C ATOM 648 O ALA A 46 0.179 -3.098 8.188 1.00 0.00 O ATOM 649 CB ALA A 46 1.512 -6.076 7.456 1.00 0.00 C ATOM 0 H ALA A 46 0.693 -5.667 5.119 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.485 -5.487 7.775 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.791 -5.914 8.497 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.247 -7.123 7.310 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.353 -5.821 6.811 1.00 0.00 H new ATOM 655 N TYR A 47 1.533 -3.282 6.399 1.00 0.00 N ATOM 656 CA TYR A 47 1.956 -1.898 6.377 1.00 0.00 C ATOM 657 C TYR A 47 2.722 -1.636 5.108 1.00 0.00 C ATOM 658 O TYR A 47 3.079 -2.580 4.383 1.00 0.00 O ATOM 659 CB TYR A 47 2.804 -1.510 7.625 1.00 0.00 C ATOM 660 CG TYR A 47 3.874 -2.508 8.043 1.00 0.00 C ATOM 661 CD1 TYR A 47 5.152 -2.437 7.529 1.00 0.00 C ATOM 662 CD2 TYR A 47 3.600 -3.511 8.968 1.00 0.00 C ATOM 663 CE1 TYR A 47 6.125 -3.331 7.922 1.00 0.00 C ATOM 664 CE2 TYR A 47 4.566 -4.408 9.358 1.00 0.00 C ATOM 665 CZ TYR A 47 5.826 -4.312 8.830 1.00 0.00 C ATOM 666 OH TYR A 47 6.804 -5.195 9.221 1.00 0.00 O ATOM 0 H TYR A 47 1.955 -3.851 5.665 1.00 0.00 H new ATOM 0 HA TYR A 47 1.064 -1.273 6.408 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.286 -0.552 7.428 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.128 -1.360 8.466 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.394 -1.670 6.808 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.608 -3.586 9.388 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.122 -3.258 7.514 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.333 -5.182 10.075 1.00 0.00 H new ATOM 0 HH TYR A 47 6.432 -5.828 9.870 1.00 0.00 H new ATOM 676 N GLY A 48 2.927 -0.387 4.812 1.00 0.00 N ATOM 677 CA GLY A 48 3.684 -0.026 3.659 1.00 0.00 C ATOM 678 C GLY A 48 5.123 0.193 4.026 1.00 0.00 C ATOM 679 O GLY A 48 5.447 1.151 4.730 1.00 0.00 O ATOM 0 H GLY A 48 2.577 0.400 5.358 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.609 -0.811 2.907 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.273 0.881 3.215 1.00 0.00 H new ATOM 683 N VAL A 49 5.975 -0.695 3.580 1.00 0.00 N ATOM 684 CA VAL A 49 7.381 -0.601 3.846 1.00 0.00 C ATOM 685 C VAL A 49 7.988 0.309 2.807 1.00 0.00 C ATOM 686 O VAL A 49 8.125 -0.066 1.644 1.00 0.00 O ATOM 687 CB VAL A 49 8.097 -2.006 3.823 1.00 0.00 C ATOM 688 CG1 VAL A 49 9.617 -1.862 3.887 1.00 0.00 C ATOM 689 CG2 VAL A 49 7.634 -2.852 4.984 1.00 0.00 C ATOM 0 H VAL A 49 5.708 -1.505 3.020 1.00 0.00 H new ATOM 0 HA VAL A 49 7.521 -0.202 4.851 1.00 0.00 H new ATOM 0 HB VAL A 49 7.831 -2.489 2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.077 -2.850 3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.964 -1.284 3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.895 -1.349 4.807 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.137 -3.818 4.954 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.873 -2.347 5.920 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.556 -3.002 4.918 1.00 0.00 H new ATOM 699 N CYS A 50 8.286 1.503 3.188 1.00 0.00 N ATOM 700 CA CYS A 50 8.896 2.429 2.288 1.00 0.00 C ATOM 701 C CYS A 50 10.383 2.088 2.204 1.00 0.00 C ATOM 702 O CYS A 50 11.100 2.128 3.208 1.00 0.00 O ATOM 703 CB CYS A 50 8.642 3.864 2.757 1.00 0.00 C ATOM 704 SG CYS A 50 6.857 4.280 2.929 1.00 0.00 S ATOM 0 H CYS A 50 8.116 1.867 4.126 1.00 0.00 H new ATOM 0 HA CYS A 50 8.465 2.355 1.289 1.00 0.00 H new ATOM 0 HB2 CYS A 50 9.136 4.016 3.717 1.00 0.00 H new ATOM 0 HB3 CYS A 50 9.101 4.555 2.050 1.00 0.00 H new ATOM 709 N PRO A 51 10.843 1.690 1.012 1.00 0.00 N ATOM 710 CA PRO A 51 12.184 1.165 0.807 1.00 0.00 C ATOM 711 C PRO A 51 13.307 2.143 1.099 1.00 0.00 C ATOM 712 O PRO A 51 13.333 3.276 0.605 1.00 0.00 O ATOM 713 CB PRO A 51 12.203 0.757 -0.668 1.00 0.00 C ATOM 714 CG PRO A 51 11.137 1.572 -1.295 1.00 0.00 C ATOM 715 CD PRO A 51 10.086 1.734 -0.246 1.00 0.00 C ATOM 0 HA PRO A 51 12.371 0.348 1.504 1.00 0.00 H new ATOM 0 HB2 PRO A 51 13.174 0.957 -1.122 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.009 -0.309 -0.787 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.522 2.540 -1.617 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.735 1.078 -2.180 1.00 0.00 H new ATOM 0 HD2 PRO A 51 9.550 2.676 -0.358 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.344 0.937 -0.295 1.00 0.00 H new ATOM 723 N ARG A 52 14.185 1.706 1.948 1.00 0.00 N ATOM 724 CA ARG A 52 15.418 2.378 2.238 1.00 0.00 C ATOM 725 C ARG A 52 16.450 1.278 2.474 1.00 0.00 C ATOM 726 O ARG A 52 17.321 1.369 3.333 1.00 0.00 O ATOM 727 CB ARG A 52 15.273 3.299 3.470 1.00 0.00 C ATOM 728 CG ARG A 52 16.395 4.330 3.613 1.00 0.00 C ATOM 729 CD ARG A 52 16.419 5.298 2.439 1.00 0.00 C ATOM 730 NE ARG A 52 15.330 6.281 2.498 1.00 0.00 N ATOM 731 CZ ARG A 52 14.582 6.678 1.447 1.00 0.00 C ATOM 732 NH1 ARG A 52 14.677 6.057 0.278 1.00 0.00 N ATOM 733 NH2 ARG A 52 13.734 7.690 1.581 1.00 0.00 N ATOM 0 H ARG A 52 14.061 0.843 2.477 1.00 0.00 H new ATOM 0 HA ARG A 52 15.722 3.027 1.417 1.00 0.00 H new ATOM 0 HB2 ARG A 52 14.319 3.822 3.409 1.00 0.00 H new ATOM 0 HB3 ARG A 52 15.242 2.684 4.369 1.00 0.00 H new ATOM 0 HG2 ARG A 52 16.263 4.886 4.541 1.00 0.00 H new ATOM 0 HG3 ARG A 52 17.354 3.817 3.682 1.00 0.00 H new ATOM 0 HD2 ARG A 52 17.375 5.821 2.423 1.00 0.00 H new ATOM 0 HD3 ARG A 52 16.347 4.736 1.508 1.00 0.00 H new ATOM 0 HE ARG A 52 15.122 6.697 3.406 1.00 0.00 H new ATOM 0 HH11 ARG A 52 15.319 5.272 0.168 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.108 6.364 -0.510 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.648 8.168 2.478 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.169 7.990 0.787 1.00 0.00 H new ATOM 747 N SER A 53 16.289 0.209 1.724 1.00 0.00 N ATOM 748 CA SER A 53 17.138 -0.934 1.829 1.00 0.00 C ATOM 749 C SER A 53 18.158 -0.898 0.702 1.00 0.00 C ATOM 750 O SER A 53 17.778 -1.104 -0.472 1.00 0.00 O ATOM 751 CB SER A 53 16.300 -2.220 1.773 1.00 0.00 C ATOM 752 OG SER A 53 15.320 -2.252 2.828 1.00 0.00 O ATOM 753 OXT SER A 53 19.337 -0.636 0.973 1.00 0.00 O ATOM 0 H SER A 53 15.555 0.119 1.021 1.00 0.00 H new ATOM 0 HA SER A 53 17.664 -0.919 2.783 1.00 0.00 H new ATOM 0 HB2 SER A 53 15.800 -2.289 0.807 1.00 0.00 H new ATOM 0 HB3 SER A 53 16.955 -3.087 1.856 1.00 0.00 H new ATOM 0 HG SER A 53 14.800 -3.081 2.767 1.00 0.00 H new TER 759 SER A 53