USER MOD reduce.3.24.130724 H: found=0, std=0, add=363, rem=0, adj=11 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 114:sc= 2.38 USER MOD Set 1.2: A 35 LYS NZ :NH3+ -144:sc= 1.21 (180deg=-0.011) USER MOD Set 2.1: A 11 THR OG1 : rot 180:sc= 0.0673 USER MOD Set 2.2: A 16 TYR OH : rot 180:sc= 0.352 USER MOD Single : A 1 ASP N :NH3+ 168:sc= 1.15 (180deg=1.03) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -6.5! C(o=-6.5!,f=-9.1!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -105:sc= -1.88! USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2.18! C(o=-2.2!,f=-4.6!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0742 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.16) 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 -2.679 -4.820 8.579 1.00 0.00 N ATOM 2 CA ASP A 1 -3.549 -4.755 9.749 1.00 0.00 C ATOM 3 C ASP A 1 -4.683 -3.736 9.530 1.00 0.00 C ATOM 4 O ASP A 1 -5.356 -3.809 8.518 1.00 0.00 O ATOM 5 CB ASP A 1 -2.759 -4.570 11.094 1.00 0.00 C ATOM 6 CG ASP A 1 -2.039 -3.246 11.265 1.00 0.00 C ATOM 7 OD1 ASP A 1 -0.870 -3.114 10.846 1.00 0.00 O ATOM 8 OD2 ASP A 1 -2.615 -2.331 11.861 1.00 0.00 O ATOM 0 H1 ASP A 1 -1.817 -5.351 8.817 1.00 0.00 H new ATOM 0 H2 ASP A 1 -3.177 -5.299 7.802 1.00 0.00 H new ATOM 0 H3 ASP A 1 -2.422 -3.857 8.283 1.00 0.00 H new ATOM 0 HA ASP A 1 -4.029 -5.727 9.865 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -3.457 -4.691 11.922 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -2.026 -5.373 11.175 1.00 0.00 H new ATOM 15 N ARG A 2 -4.865 -2.756 10.399 1.00 0.00 N ATOM 16 CA ARG A 2 -5.997 -1.829 10.284 1.00 0.00 C ATOM 17 C ARG A 2 -5.726 -0.665 9.310 1.00 0.00 C ATOM 18 O ARG A 2 -6.016 0.503 9.606 1.00 0.00 O ATOM 19 CB ARG A 2 -6.434 -1.303 11.662 1.00 0.00 C ATOM 20 CG ARG A 2 -5.326 -0.653 12.468 1.00 0.00 C ATOM 21 CD ARG A 2 -5.876 0.075 13.671 1.00 0.00 C ATOM 22 NE ARG A 2 -4.807 0.592 14.525 1.00 0.00 N ATOM 23 CZ ARG A 2 -4.848 1.726 15.233 1.00 0.00 C ATOM 24 NH1 ARG A 2 -5.853 2.601 15.080 1.00 0.00 N ATOM 25 NH2 ARG A 2 -3.840 2.004 16.041 1.00 0.00 N ATOM 0 H ARG A 2 -4.250 -2.575 11.192 1.00 0.00 H new ATOM 0 HA ARG A 2 -6.819 -2.406 9.860 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.237 -0.579 11.522 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.848 -2.131 12.238 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.616 -1.414 12.794 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.777 0.046 11.837 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -6.508 0.899 13.340 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -6.508 -0.600 14.248 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.953 0.038 14.586 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.602 2.406 14.415 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -5.868 3.461 15.628 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -3.053 1.360 16.115 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -3.849 2.863 16.591 1.00 0.00 H new ATOM 39 N ILE A 3 -5.194 -0.980 8.166 1.00 0.00 N ATOM 40 CA ILE A 3 -4.931 -0.003 7.148 1.00 0.00 C ATOM 41 C ILE A 3 -6.171 0.104 6.243 1.00 0.00 C ATOM 42 O ILE A 3 -6.806 -0.906 5.922 1.00 0.00 O ATOM 43 CB ILE A 3 -3.647 -0.373 6.332 1.00 0.00 C ATOM 44 CG1 ILE A 3 -3.232 0.751 5.388 1.00 0.00 C ATOM 45 CG2 ILE A 3 -3.802 -1.678 5.578 1.00 0.00 C ATOM 46 CD1 ILE A 3 -2.648 1.954 6.094 1.00 0.00 C ATOM 0 H ILE A 3 -4.928 -1.931 7.910 1.00 0.00 H new ATOM 0 HA ILE A 3 -4.738 0.967 7.606 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.849 -0.510 7.062 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.499 0.366 4.679 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.100 1.067 4.809 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.886 -1.891 5.028 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.998 -2.485 6.284 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.635 -1.598 4.879 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.377 2.711 5.358 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.386 2.365 6.783 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.760 1.654 6.650 1.00 0.00 H new ATOM 58 N CYS A 4 -6.554 1.304 5.884 1.00 0.00 N ATOM 59 CA CYS A 4 -7.734 1.479 5.075 1.00 0.00 C ATOM 60 C CYS A 4 -7.437 2.042 3.720 1.00 0.00 C ATOM 61 O CYS A 4 -8.308 2.571 3.040 1.00 0.00 O ATOM 62 CB CYS A 4 -8.799 2.267 5.803 1.00 0.00 C ATOM 63 SG CYS A 4 -9.930 1.228 6.776 1.00 0.00 S ATOM 0 H CYS A 4 -6.071 2.166 6.136 1.00 0.00 H new ATOM 0 HA CYS A 4 -8.136 0.481 4.898 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -8.318 2.987 6.466 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -9.377 2.839 5.077 1.00 0.00 H new ATOM 68 N THR A 5 -6.233 1.895 3.334 1.00 0.00 N ATOM 69 CA THR A 5 -5.784 2.319 2.043 1.00 0.00 C ATOM 70 C THR A 5 -5.949 1.149 1.057 1.00 0.00 C ATOM 71 O THR A 5 -6.312 0.030 1.470 1.00 0.00 O ATOM 72 CB THR A 5 -4.306 2.768 2.128 1.00 0.00 C ATOM 73 OG1 THR A 5 -4.088 3.361 3.420 1.00 0.00 O ATOM 74 CG2 THR A 5 -3.982 3.807 1.053 1.00 0.00 C ATOM 0 H THR A 5 -5.505 1.469 3.908 1.00 0.00 H new ATOM 0 HA THR A 5 -6.375 3.166 1.693 1.00 0.00 H new ATOM 0 HB THR A 5 -3.665 1.900 1.976 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.155 3.651 3.494 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.937 4.104 1.137 1.00 0.00 H new ATOM 0 HG22 THR A 5 -4.159 3.378 0.067 1.00 0.00 H new ATOM 0 HG23 THR A 5 -4.619 4.681 1.188 1.00 0.00 H new ATOM 82 N ASN A 6 -5.721 1.407 -0.212 1.00 0.00 N ATOM 83 CA ASN A 6 -5.777 0.389 -1.237 1.00 0.00 C ATOM 84 C ASN A 6 -4.542 0.555 -2.095 1.00 0.00 C ATOM 85 O ASN A 6 -3.960 1.640 -2.135 1.00 0.00 O ATOM 86 CB ASN A 6 -7.070 0.491 -2.096 1.00 0.00 C ATOM 87 CG ASN A 6 -7.080 1.635 -3.121 1.00 0.00 C ATOM 88 OD1 ASN A 6 -6.571 1.504 -4.226 1.00 0.00 O ATOM 89 ND2 ASN A 6 -7.692 2.733 -2.779 1.00 0.00 N ATOM 0 H ASN A 6 -5.490 2.336 -0.564 1.00 0.00 H new ATOM 0 HA ASN A 6 -5.804 -0.598 -0.776 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -7.212 -0.452 -2.625 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -7.923 0.614 -1.428 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.755 3.508 -3.439 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -8.108 2.817 -1.852 1.00 0.00 H new ATOM 96 N CYS A 7 -4.158 -0.492 -2.752 1.00 0.00 N ATOM 97 CA CYS A 7 -2.934 -0.554 -3.526 1.00 0.00 C ATOM 98 C CYS A 7 -3.012 0.235 -4.841 1.00 0.00 C ATOM 99 O CYS A 7 -2.016 0.840 -5.269 1.00 0.00 O ATOM 100 CB CYS A 7 -2.613 -2.011 -3.801 1.00 0.00 C ATOM 101 SG CYS A 7 -0.943 -2.323 -4.418 1.00 0.00 S ATOM 0 H CYS A 7 -4.695 -1.359 -2.773 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.142 -0.086 -2.942 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.756 -2.579 -2.882 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.330 -2.394 -4.527 1.00 0.00 H new ATOM 106 N CYS A 8 -4.181 0.238 -5.473 1.00 0.00 N ATOM 107 CA CYS A 8 -4.395 0.925 -6.754 1.00 0.00 C ATOM 108 C CYS A 8 -4.101 2.410 -6.598 1.00 0.00 C ATOM 109 O CYS A 8 -3.205 2.962 -7.241 1.00 0.00 O ATOM 110 CB CYS A 8 -5.853 0.715 -7.216 1.00 0.00 C ATOM 111 SG CYS A 8 -6.272 1.384 -8.877 1.00 0.00 S ATOM 0 H CYS A 8 -5.011 -0.235 -5.116 1.00 0.00 H new ATOM 0 HA CYS A 8 -3.722 0.511 -7.505 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.065 -0.354 -7.212 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.516 1.174 -6.483 1.00 0.00 H new ATOM 116 N ALA A 9 -4.796 3.024 -5.672 1.00 0.00 N ATOM 117 CA ALA A 9 -4.655 4.448 -5.393 1.00 0.00 C ATOM 118 C ALA A 9 -3.590 4.682 -4.322 1.00 0.00 C ATOM 119 O ALA A 9 -3.633 5.681 -3.591 1.00 0.00 O ATOM 120 CB ALA A 9 -5.991 5.036 -4.956 1.00 0.00 C ATOM 0 H ALA A 9 -5.482 2.554 -5.082 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.337 4.950 -6.307 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.871 6.100 -4.751 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.725 4.900 -5.750 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.334 4.529 -4.054 1.00 0.00 H new ATOM 126 N GLY A 10 -2.653 3.761 -4.231 1.00 0.00 N ATOM 127 CA GLY A 10 -1.625 3.849 -3.245 1.00 0.00 C ATOM 128 C GLY A 10 -0.387 4.536 -3.759 1.00 0.00 C ATOM 129 O GLY A 10 -0.195 4.638 -4.982 1.00 0.00 O ATOM 0 H GLY A 10 -2.592 2.943 -4.837 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.003 4.391 -2.378 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.365 2.846 -2.906 1.00 0.00 H new ATOM 133 N THR A 11 0.459 4.949 -2.824 1.00 0.00 N ATOM 134 CA THR A 11 1.682 5.705 -3.058 1.00 0.00 C ATOM 135 C THR A 11 2.623 5.033 -4.077 1.00 0.00 C ATOM 136 O THR A 11 3.202 3.969 -3.806 1.00 0.00 O ATOM 137 CB THR A 11 2.430 5.889 -1.722 1.00 0.00 C ATOM 138 OG1 THR A 11 1.481 6.172 -0.671 1.00 0.00 O ATOM 139 CG2 THR A 11 3.433 7.029 -1.810 1.00 0.00 C ATOM 0 H THR A 11 0.303 4.756 -1.835 1.00 0.00 H new ATOM 0 HA THR A 11 1.387 6.666 -3.479 1.00 0.00 H new ATOM 0 HB THR A 11 2.969 4.967 -1.503 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.957 6.287 0.178 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.946 7.137 -0.854 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.162 6.813 -2.591 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.911 7.956 -2.048 1.00 0.00 H new ATOM 147 N LYS A 12 2.744 5.663 -5.239 1.00 0.00 N ATOM 148 CA LYS A 12 3.607 5.223 -6.320 1.00 0.00 C ATOM 149 C LYS A 12 5.045 5.055 -5.856 1.00 0.00 C ATOM 150 O LYS A 12 5.711 6.025 -5.483 1.00 0.00 O ATOM 151 CB LYS A 12 3.530 6.215 -7.486 1.00 0.00 C ATOM 152 CG LYS A 12 4.190 5.734 -8.776 1.00 0.00 C ATOM 153 CD LYS A 12 3.879 6.671 -9.939 1.00 0.00 C ATOM 154 CE LYS A 12 4.538 8.037 -9.770 1.00 0.00 C ATOM 155 NZ LYS A 12 5.984 7.991 -10.045 1.00 0.00 N ATOM 0 H LYS A 12 2.230 6.516 -5.458 1.00 0.00 H new ATOM 0 HA LYS A 12 3.257 4.247 -6.656 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.482 6.435 -7.690 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.998 7.151 -7.181 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.269 5.672 -8.634 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.842 4.729 -9.013 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.220 6.218 -10.870 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.800 6.798 -10.023 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.064 8.753 -10.441 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.374 8.395 -8.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.392 8.939 -9.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.441 7.327 -9.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.141 7.674 -11.023 1.00 0.00 H new ATOM 169 N GLY A 13 5.499 3.828 -5.849 1.00 0.00 N ATOM 170 CA GLY A 13 6.853 3.543 -5.449 1.00 0.00 C ATOM 171 C GLY A 13 6.913 2.765 -4.166 1.00 0.00 C ATOM 172 O GLY A 13 7.865 2.015 -3.921 1.00 0.00 O ATOM 0 H GLY A 13 4.951 3.010 -6.116 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.352 2.980 -6.237 1.00 0.00 H new ATOM 0 HA3 GLY A 13 7.400 4.478 -5.331 1.00 0.00 H new ATOM 176 N CYS A 14 5.905 2.916 -3.354 1.00 0.00 N ATOM 177 CA CYS A 14 5.854 2.216 -2.101 1.00 0.00 C ATOM 178 C CYS A 14 5.223 0.853 -2.319 1.00 0.00 C ATOM 179 O CYS A 14 4.101 0.745 -2.838 1.00 0.00 O ATOM 180 CB CYS A 14 5.086 3.025 -1.039 1.00 0.00 C ATOM 181 SG CYS A 14 6.029 4.401 -0.234 1.00 0.00 S ATOM 0 H CYS A 14 5.104 3.520 -3.538 1.00 0.00 H new ATOM 0 HA CYS A 14 6.868 2.084 -1.724 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.194 3.445 -1.504 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.747 2.339 -0.262 1.00 0.00 H new ATOM 186 N LYS A 15 5.952 -0.183 -1.973 1.00 0.00 N ATOM 187 CA LYS A 15 5.493 -1.540 -2.162 1.00 0.00 C ATOM 188 C LYS A 15 4.501 -1.898 -1.083 1.00 0.00 C ATOM 189 O LYS A 15 4.865 -1.974 0.086 1.00 0.00 O ATOM 190 CB LYS A 15 6.665 -2.525 -2.086 1.00 0.00 C ATOM 191 CG LYS A 15 7.894 -2.127 -2.880 1.00 0.00 C ATOM 192 CD LYS A 15 8.969 -3.194 -2.783 1.00 0.00 C ATOM 193 CE LYS A 15 10.323 -2.661 -3.208 1.00 0.00 C ATOM 194 NZ LYS A 15 11.302 -3.747 -3.407 1.00 0.00 N ATOM 0 H LYS A 15 6.879 -0.109 -1.553 1.00 0.00 H new ATOM 0 HA LYS A 15 5.027 -1.605 -3.145 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.950 -2.646 -1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.324 -3.499 -2.438 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.623 -1.972 -3.924 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.282 -1.179 -2.507 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.027 -3.561 -1.758 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.698 -4.043 -3.411 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.216 -2.094 -4.133 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.695 -1.970 -2.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.215 -3.342 -3.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.423 -4.273 -2.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.959 -4.392 -4.147 1.00 0.00 H new ATOM 208 N TYR A 16 3.267 -2.100 -1.458 1.00 0.00 N ATOM 209 CA TYR A 16 2.264 -2.518 -0.521 1.00 0.00 C ATOM 210 C TYR A 16 2.527 -3.954 -0.184 1.00 0.00 C ATOM 211 O TYR A 16 2.347 -4.867 -0.997 1.00 0.00 O ATOM 212 CB TYR A 16 0.855 -2.257 -1.045 1.00 0.00 C ATOM 213 CG TYR A 16 0.507 -0.793 -0.939 1.00 0.00 C ATOM 214 CD1 TYR A 16 0.857 0.096 -1.940 1.00 0.00 C ATOM 215 CD2 TYR A 16 -0.127 -0.293 0.187 1.00 0.00 C ATOM 216 CE1 TYR A 16 0.585 1.436 -1.826 1.00 0.00 C ATOM 217 CE2 TYR A 16 -0.396 1.052 0.314 1.00 0.00 C ATOM 218 CZ TYR A 16 -0.039 1.911 -0.697 1.00 0.00 C ATOM 219 OH TYR A 16 -0.287 3.258 -0.571 1.00 0.00 O ATOM 0 H TYR A 16 2.932 -1.980 -2.414 1.00 0.00 H new ATOM 0 HA TYR A 16 2.322 -1.929 0.395 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.783 -2.578 -2.084 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.136 -2.848 -0.478 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.353 -0.271 -2.826 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.415 -0.969 0.978 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.860 2.115 -2.620 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.884 1.428 1.201 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.735 3.430 0.284 1.00 0.00 H new ATOM 229 N PHE A 17 3.011 -4.122 0.985 1.00 0.00 N ATOM 230 CA PHE A 17 3.567 -5.337 1.438 1.00 0.00 C ATOM 231 C PHE A 17 3.117 -5.651 2.833 1.00 0.00 C ATOM 232 O PHE A 17 2.859 -4.747 3.645 1.00 0.00 O ATOM 233 CB PHE A 17 5.092 -5.171 1.274 1.00 0.00 C ATOM 234 CG PHE A 17 6.024 -5.824 2.242 1.00 0.00 C ATOM 235 CD1 PHE A 17 6.306 -5.199 3.443 1.00 0.00 C ATOM 236 CD2 PHE A 17 6.680 -6.996 1.934 1.00 0.00 C ATOM 237 CE1 PHE A 17 7.199 -5.728 4.323 1.00 0.00 C ATOM 238 CE2 PHE A 17 7.595 -7.530 2.814 1.00 0.00 C ATOM 239 CZ PHE A 17 7.851 -6.891 4.012 1.00 0.00 C ATOM 0 H PHE A 17 3.032 -3.382 1.686 1.00 0.00 H new ATOM 0 HA PHE A 17 3.232 -6.202 0.865 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.352 -5.533 0.279 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.305 -4.102 1.290 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.808 -4.273 3.687 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.476 -7.497 0.999 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.393 -5.232 5.263 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.111 -8.446 2.568 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.567 -7.310 4.704 1.00 0.00 H new ATOM 249 N SER A 18 2.944 -6.904 3.079 1.00 0.00 N ATOM 250 CA SER A 18 2.556 -7.396 4.341 1.00 0.00 C ATOM 251 C SER A 18 3.805 -7.760 5.157 1.00 0.00 C ATOM 252 O SER A 18 4.811 -8.242 4.601 1.00 0.00 O ATOM 253 CB SER A 18 1.644 -8.571 4.104 1.00 0.00 C ATOM 254 OG SER A 18 2.146 -9.386 3.072 1.00 0.00 O ATOM 0 H SER A 18 3.075 -7.633 2.378 1.00 0.00 H new ATOM 0 HA SER A 18 2.016 -6.650 4.924 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.546 -9.153 5.020 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.646 -8.218 3.843 1.00 0.00 H new ATOM 0 HG SER A 18 1.617 -9.247 2.259 1.00 0.00 H new ATOM 260 N ASP A 19 3.723 -7.552 6.470 1.00 0.00 N ATOM 261 CA ASP A 19 4.872 -7.653 7.399 1.00 0.00 C ATOM 262 C ASP A 19 5.460 -9.057 7.503 1.00 0.00 C ATOM 263 O ASP A 19 6.573 -9.228 7.993 1.00 0.00 O ATOM 264 CB ASP A 19 4.500 -7.126 8.799 1.00 0.00 C ATOM 265 CG ASP A 19 3.689 -8.108 9.629 1.00 0.00 C ATOM 266 OD1 ASP A 19 2.720 -8.693 9.113 1.00 0.00 O ATOM 267 OD2 ASP A 19 3.982 -8.288 10.827 1.00 0.00 O ATOM 0 H ASP A 19 2.850 -7.305 6.935 1.00 0.00 H new ATOM 0 HA ASP A 19 5.651 -7.024 6.968 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.414 -6.877 9.338 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.933 -6.202 8.690 1.00 0.00 H new ATOM 272 N ASP A 20 4.738 -10.047 7.025 1.00 0.00 N ATOM 273 CA ASP A 20 5.222 -11.422 7.042 1.00 0.00 C ATOM 274 C ASP A 20 6.078 -11.701 5.810 1.00 0.00 C ATOM 275 O ASP A 20 6.447 -12.842 5.530 1.00 0.00 O ATOM 276 CB ASP A 20 4.073 -12.436 7.181 1.00 0.00 C ATOM 277 CG ASP A 20 3.142 -12.481 6.003 1.00 0.00 C ATOM 278 OD1 ASP A 20 2.570 -11.427 5.646 1.00 0.00 O ATOM 279 OD2 ASP A 20 2.928 -13.580 5.434 1.00 0.00 O ATOM 0 H ASP A 20 3.810 -9.931 6.617 1.00 0.00 H new ATOM 0 HA ASP A 20 5.849 -11.545 7.925 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.497 -13.429 7.332 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.498 -12.195 8.075 1.00 0.00 H new ATOM 284 N GLY A 21 6.366 -10.647 5.066 1.00 0.00 N ATOM 285 CA GLY A 21 7.303 -10.730 3.981 1.00 0.00 C ATOM 286 C GLY A 21 6.674 -10.967 2.641 1.00 0.00 C ATOM 287 O GLY A 21 7.308 -11.544 1.756 1.00 0.00 O ATOM 0 H GLY A 21 5.957 -9.723 5.202 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.878 -9.805 3.941 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.008 -11.535 4.186 1.00 0.00 H new ATOM 291 N THR A 22 5.461 -10.532 2.449 1.00 0.00 N ATOM 292 CA THR A 22 4.819 -10.767 1.189 1.00 0.00 C ATOM 293 C THR A 22 4.524 -9.459 0.440 1.00 0.00 C ATOM 294 O THR A 22 3.773 -8.605 0.910 1.00 0.00 O ATOM 295 CB THR A 22 3.520 -11.562 1.370 1.00 0.00 C ATOM 296 OG1 THR A 22 3.717 -12.644 2.309 1.00 0.00 O ATOM 297 CG2 THR A 22 3.035 -12.125 0.043 1.00 0.00 C ATOM 0 H THR A 22 4.906 -10.022 3.136 1.00 0.00 H new ATOM 0 HA THR A 22 5.515 -11.353 0.589 1.00 0.00 H new ATOM 0 HB THR A 22 2.764 -10.879 1.758 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.879 -13.141 2.416 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.113 -12.684 0.200 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.849 -11.307 -0.653 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.795 -12.788 -0.371 1.00 0.00 H new ATOM 305 N PHE A 23 5.180 -9.286 -0.675 1.00 0.00 N ATOM 306 CA PHE A 23 4.897 -8.200 -1.580 1.00 0.00 C ATOM 307 C PHE A 23 3.509 -8.441 -2.174 1.00 0.00 C ATOM 308 O PHE A 23 3.277 -9.467 -2.824 1.00 0.00 O ATOM 309 CB PHE A 23 5.970 -8.188 -2.687 1.00 0.00 C ATOM 310 CG PHE A 23 5.772 -7.181 -3.792 1.00 0.00 C ATOM 311 CD1 PHE A 23 6.173 -5.869 -3.632 1.00 0.00 C ATOM 312 CD2 PHE A 23 5.209 -7.561 -5.003 1.00 0.00 C ATOM 313 CE1 PHE A 23 6.012 -4.952 -4.652 1.00 0.00 C ATOM 314 CE2 PHE A 23 5.049 -6.649 -6.026 1.00 0.00 C ATOM 315 CZ PHE A 23 5.453 -5.342 -5.850 1.00 0.00 C ATOM 0 H PHE A 23 5.933 -9.899 -0.986 1.00 0.00 H new ATOM 0 HA PHE A 23 4.914 -7.237 -1.069 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.939 -8.003 -2.224 1.00 0.00 H new ATOM 0 HB3 PHE A 23 6.015 -9.182 -3.132 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.618 -5.557 -2.699 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.892 -8.584 -5.146 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.325 -3.928 -4.511 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.608 -6.958 -6.962 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.332 -4.626 -6.649 1.00 0.00 H new ATOM 325 N VAL A 24 2.585 -7.558 -1.908 1.00 0.00 N ATOM 326 CA VAL A 24 1.237 -7.709 -2.418 1.00 0.00 C ATOM 327 C VAL A 24 1.165 -7.096 -3.807 1.00 0.00 C ATOM 328 O VAL A 24 0.660 -7.719 -4.758 1.00 0.00 O ATOM 329 CB VAL A 24 0.190 -7.035 -1.479 1.00 0.00 C ATOM 330 CG1 VAL A 24 -1.230 -7.295 -1.958 1.00 0.00 C ATOM 331 CG2 VAL A 24 0.366 -7.513 -0.039 1.00 0.00 C ATOM 0 H VAL A 24 2.735 -6.723 -1.341 1.00 0.00 H new ATOM 0 HA VAL A 24 0.998 -8.771 -2.463 1.00 0.00 H new ATOM 0 HB VAL A 24 0.363 -5.959 -1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.936 -6.812 -1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.355 -6.891 -2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.418 -8.369 -1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.375 -7.030 0.598 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.232 -8.594 0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.366 -7.257 0.310 1.00 0.00 H new ATOM 341 N CYS A 25 1.704 -5.896 -3.910 1.00 0.00 N ATOM 342 CA CYS A 25 1.746 -5.105 -5.131 1.00 0.00 C ATOM 343 C CYS A 25 2.484 -3.822 -4.796 1.00 0.00 C ATOM 344 O CYS A 25 3.007 -3.699 -3.692 1.00 0.00 O ATOM 345 CB CYS A 25 0.322 -4.793 -5.609 1.00 0.00 C ATOM 346 SG CYS A 25 -0.805 -4.327 -4.262 1.00 0.00 S ATOM 0 H CYS A 25 2.142 -5.426 -3.118 1.00 0.00 H new ATOM 0 HA CYS A 25 2.250 -5.646 -5.932 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.360 -3.983 -6.337 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.080 -5.666 -6.124 1.00 0.00 H new ATOM 351 N GLU A 26 2.575 -2.907 -5.711 1.00 0.00 N ATOM 352 CA GLU A 26 3.216 -1.646 -5.453 1.00 0.00 C ATOM 353 C GLU A 26 2.245 -0.537 -5.806 1.00 0.00 C ATOM 354 O GLU A 26 1.451 -0.686 -6.744 1.00 0.00 O ATOM 355 CB GLU A 26 4.489 -1.532 -6.296 1.00 0.00 C ATOM 356 CG GLU A 26 5.383 -0.362 -5.934 1.00 0.00 C ATOM 357 CD GLU A 26 6.556 -0.239 -6.858 1.00 0.00 C ATOM 358 OE1 GLU A 26 7.600 -0.866 -6.602 1.00 0.00 O ATOM 359 OE2 GLU A 26 6.457 0.479 -7.869 1.00 0.00 O ATOM 0 H GLU A 26 2.209 -3.009 -6.658 1.00 0.00 H new ATOM 0 HA GLU A 26 3.494 -1.569 -4.402 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.061 -2.454 -6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.208 -1.446 -7.346 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.802 0.560 -5.963 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.740 -0.482 -4.911 1.00 0.00 H new ATOM 366 N GLY A 27 2.276 0.546 -5.041 1.00 0.00 N ATOM 367 CA GLY A 27 1.417 1.674 -5.315 1.00 0.00 C ATOM 368 C GLY A 27 1.799 2.322 -6.619 1.00 0.00 C ATOM 369 O GLY A 27 2.988 2.348 -6.975 1.00 0.00 O ATOM 0 H GLY A 27 2.886 0.661 -4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.378 1.346 -5.355 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.491 2.400 -4.506 1.00 0.00 H new ATOM 373 N GLU A 28 0.832 2.836 -7.329 1.00 0.00 N ATOM 374 CA GLU A 28 1.074 3.389 -8.643 1.00 0.00 C ATOM 375 C GLU A 28 0.449 4.786 -8.777 1.00 0.00 C ATOM 376 O GLU A 28 0.558 5.443 -9.817 1.00 0.00 O ATOM 377 CB GLU A 28 0.483 2.422 -9.668 1.00 0.00 C ATOM 378 CG GLU A 28 0.865 2.670 -11.106 1.00 0.00 C ATOM 379 CD GLU A 28 0.474 1.522 -11.986 1.00 0.00 C ATOM 380 OE1 GLU A 28 -0.728 1.405 -12.336 1.00 0.00 O ATOM 381 OE2 GLU A 28 1.354 0.706 -12.339 1.00 0.00 O ATOM 0 H GLU A 28 -0.139 2.886 -7.021 1.00 0.00 H new ATOM 0 HA GLU A 28 2.145 3.507 -8.811 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.787 1.410 -9.401 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.604 2.459 -9.589 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.382 3.581 -11.459 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.941 2.832 -11.175 1.00 0.00 H new ATOM 388 N SER A 29 -0.147 5.261 -7.727 1.00 0.00 N ATOM 389 CA SER A 29 -0.836 6.488 -7.774 1.00 0.00 C ATOM 390 C SER A 29 -0.285 7.495 -6.770 1.00 0.00 C ATOM 391 O SER A 29 0.563 7.181 -5.925 1.00 0.00 O ATOM 392 CB SER A 29 -2.289 6.207 -7.490 1.00 0.00 C ATOM 393 OG SER A 29 -2.822 5.313 -8.458 1.00 0.00 O ATOM 0 H SER A 29 -0.162 4.799 -6.818 1.00 0.00 H new ATOM 0 HA SER A 29 -0.709 6.934 -8.761 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.394 5.778 -6.493 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.854 7.139 -7.497 1.00 0.00 H new ATOM 0 HG SER A 29 -3.063 4.468 -8.025 1.00 0.00 H new ATOM 399 N ASP A 30 -0.720 8.699 -6.902 1.00 0.00 N ATOM 400 CA ASP A 30 -0.404 9.714 -5.956 1.00 0.00 C ATOM 401 C ASP A 30 -1.698 10.106 -5.291 1.00 0.00 C ATOM 402 O ASP A 30 -2.611 10.579 -5.958 1.00 0.00 O ATOM 403 CB ASP A 30 0.258 10.910 -6.626 1.00 0.00 C ATOM 404 CG ASP A 30 0.735 11.925 -5.628 1.00 0.00 C ATOM 405 OD1 ASP A 30 1.745 11.665 -4.934 1.00 0.00 O ATOM 406 OD2 ASP A 30 0.125 12.995 -5.516 1.00 0.00 O ATOM 0 H ASP A 30 -1.309 9.011 -7.674 1.00 0.00 H new ATOM 0 HA ASP A 30 0.312 9.346 -5.221 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.102 10.568 -7.226 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.449 11.379 -7.310 1.00 0.00 H new ATOM 411 N PRO A 31 -1.811 9.887 -3.970 1.00 0.00 N ATOM 412 CA PRO A 31 -3.069 10.082 -3.198 1.00 0.00 C ATOM 413 C PRO A 31 -3.541 11.542 -3.065 1.00 0.00 C ATOM 414 O PRO A 31 -4.224 11.900 -2.102 1.00 0.00 O ATOM 415 CB PRO A 31 -2.728 9.507 -1.808 1.00 0.00 C ATOM 416 CG PRO A 31 -1.482 8.714 -2.012 1.00 0.00 C ATOM 417 CD PRO A 31 -0.735 9.407 -3.099 1.00 0.00 C ATOM 0 HA PRO A 31 -3.899 9.596 -3.711 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.574 10.303 -1.079 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.537 8.881 -1.431 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.891 8.671 -1.097 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.714 7.686 -2.290 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.128 10.227 -2.715 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.061 8.730 -3.623 1.00 0.00 H new ATOM 425 N ARG A 32 -3.187 12.373 -4.008 1.00 0.00 N ATOM 426 CA ARG A 32 -3.612 13.755 -3.996 1.00 0.00 C ATOM 427 C ARG A 32 -4.487 14.016 -5.224 1.00 0.00 C ATOM 428 O ARG A 32 -5.425 14.803 -5.178 1.00 0.00 O ATOM 429 CB ARG A 32 -2.408 14.727 -3.963 1.00 0.00 C ATOM 430 CG ARG A 32 -1.249 14.307 -3.044 1.00 0.00 C ATOM 431 CD ARG A 32 -1.668 14.147 -1.587 1.00 0.00 C ATOM 432 NE ARG A 32 -0.818 13.158 -0.887 1.00 0.00 N ATOM 433 CZ ARG A 32 -1.075 12.618 0.321 1.00 0.00 C ATOM 434 NH1 ARG A 32 -2.153 12.984 1.013 1.00 0.00 N ATOM 435 NH2 ARG A 32 -0.255 11.697 0.828 1.00 0.00 N ATOM 0 H ARG A 32 -2.600 12.118 -4.803 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.187 13.936 -3.088 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.024 14.838 -4.977 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.763 15.708 -3.647 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.833 13.365 -3.402 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.455 15.051 -3.108 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.602 15.110 -1.080 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.710 13.832 -1.539 1.00 0.00 H new ATOM 0 HE ARG A 32 0.035 12.859 -1.359 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.793 13.679 0.630 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.338 12.569 1.926 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.567 11.401 0.302 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.450 11.289 1.742 1.00 0.00 H new ATOM 449 N ASN A 33 -4.191 13.328 -6.316 1.00 0.00 N ATOM 450 CA ASN A 33 -4.960 13.471 -7.545 1.00 0.00 C ATOM 451 C ASN A 33 -6.104 12.463 -7.570 1.00 0.00 C ATOM 452 O ASN A 33 -6.015 11.398 -6.931 1.00 0.00 O ATOM 453 CB ASN A 33 -4.071 13.355 -8.812 1.00 0.00 C ATOM 454 CG ASN A 33 -3.174 12.144 -8.833 1.00 0.00 C ATOM 455 OD1 ASN A 33 -2.074 12.189 -8.305 1.00 0.00 O ATOM 456 ND2 ASN A 33 -3.581 11.095 -9.477 1.00 0.00 N ATOM 0 H ASN A 33 -3.421 12.662 -6.377 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.382 14.476 -7.558 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.714 13.331 -9.692 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -3.455 14.250 -8.892 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.977 10.277 -9.553 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.506 11.088 -9.908 1.00 0.00 H new ATOM 463 N PRO A 34 -7.205 12.801 -8.277 1.00 0.00 N ATOM 464 CA PRO A 34 -8.398 11.968 -8.343 1.00 0.00 C ATOM 465 C PRO A 34 -8.161 10.655 -9.074 1.00 0.00 C ATOM 466 O PRO A 34 -8.076 10.613 -10.309 1.00 0.00 O ATOM 467 CB PRO A 34 -9.416 12.833 -9.103 1.00 0.00 C ATOM 468 CG PRO A 34 -8.607 13.818 -9.860 1.00 0.00 C ATOM 469 CD PRO A 34 -7.361 14.042 -9.065 1.00 0.00 C ATOM 0 HA PRO A 34 -8.733 11.677 -7.347 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.025 12.226 -9.773 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -10.099 13.331 -8.415 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -8.370 13.443 -10.856 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.155 14.750 -9.993 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.501 14.213 -9.712 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.452 14.915 -8.419 1.00 0.00 H new ATOM 477 N LYS A 35 -8.044 9.606 -8.324 1.00 0.00 N ATOM 478 CA LYS A 35 -7.851 8.291 -8.865 1.00 0.00 C ATOM 479 C LYS A 35 -8.966 7.416 -8.345 1.00 0.00 C ATOM 480 O LYS A 35 -9.056 7.164 -7.134 1.00 0.00 O ATOM 481 CB LYS A 35 -6.488 7.723 -8.450 1.00 0.00 C ATOM 482 CG LYS A 35 -5.784 6.947 -9.554 1.00 0.00 C ATOM 483 CD LYS A 35 -4.537 7.684 -10.023 1.00 0.00 C ATOM 484 CE LYS A 35 -3.906 7.044 -11.259 1.00 0.00 C ATOM 485 NZ LYS A 35 -3.570 5.614 -11.066 1.00 0.00 N ATOM 0 H LYS A 35 -8.080 9.635 -7.305 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.868 8.328 -9.954 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.846 8.543 -8.129 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.624 7.069 -7.589 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.511 5.956 -9.191 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.464 6.803 -10.394 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.794 8.720 -10.246 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.806 7.704 -9.215 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.592 7.139 -12.100 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.001 7.591 -11.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.689 5.393 -11.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.445 5.421 -10.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.340 5.023 -11.438 1.00 0.00 H new ATOM 499 N ALA A 36 -9.813 6.967 -9.233 1.00 0.00 N ATOM 500 CA ALA A 36 -10.981 6.195 -8.869 1.00 0.00 C ATOM 501 C ALA A 36 -10.658 4.727 -8.586 1.00 0.00 C ATOM 502 O ALA A 36 -11.094 3.822 -9.299 1.00 0.00 O ATOM 503 CB ALA A 36 -12.071 6.328 -9.923 1.00 0.00 C ATOM 0 H ALA A 36 -9.715 7.125 -10.236 1.00 0.00 H new ATOM 0 HA ALA A 36 -11.354 6.612 -7.934 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.938 5.738 -9.626 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -12.359 7.375 -10.018 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.697 5.966 -10.881 1.00 0.00 H new ATOM 509 N CYS A 37 -9.895 4.508 -7.566 1.00 0.00 N ATOM 510 CA CYS A 37 -9.627 3.184 -7.078 1.00 0.00 C ATOM 511 C CYS A 37 -10.269 3.087 -5.717 1.00 0.00 C ATOM 512 O CYS A 37 -9.925 3.867 -4.810 1.00 0.00 O ATOM 513 CB CYS A 37 -8.124 2.915 -6.971 1.00 0.00 C ATOM 514 SG CYS A 37 -7.164 3.185 -8.509 1.00 0.00 S ATOM 0 H CYS A 37 -9.432 5.248 -7.038 1.00 0.00 H new ATOM 0 HA CYS A 37 -10.030 2.442 -7.767 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.713 3.554 -6.190 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.979 1.884 -6.649 1.00 0.00 H new ATOM 519 N THR A 38 -11.213 2.190 -5.581 1.00 0.00 N ATOM 520 CA THR A 38 -11.957 2.033 -4.363 1.00 0.00 C ATOM 521 C THR A 38 -11.061 1.568 -3.227 1.00 0.00 C ATOM 522 O THR A 38 -10.154 0.744 -3.429 1.00 0.00 O ATOM 523 CB THR A 38 -13.098 1.041 -4.579 1.00 0.00 C ATOM 524 OG1 THR A 38 -12.650 -0.015 -5.439 1.00 0.00 O ATOM 525 CG2 THR A 38 -14.280 1.734 -5.216 1.00 0.00 C ATOM 0 H THR A 38 -11.487 1.544 -6.321 1.00 0.00 H new ATOM 0 HA THR A 38 -12.370 3.003 -4.085 1.00 0.00 H new ATOM 0 HB THR A 38 -13.402 0.634 -3.615 1.00 0.00 H new ATOM 0 HG1 THR A 38 -13.379 -0.655 -5.579 1.00 0.00 H new ATOM 0 HG21 THR A 38 -15.086 1.016 -5.364 1.00 0.00 H new ATOM 0 HG22 THR A 38 -14.625 2.537 -4.565 1.00 0.00 H new ATOM 0 HG23 THR A 38 -13.983 2.150 -6.179 1.00 0.00 H new ATOM 533 N LEU A 39 -11.307 2.105 -2.056 1.00 0.00 N ATOM 534 CA LEU A 39 -10.519 1.798 -0.895 1.00 0.00 C ATOM 535 C LEU A 39 -10.972 0.464 -0.334 1.00 0.00 C ATOM 536 O LEU A 39 -10.294 -0.552 -0.487 1.00 0.00 O ATOM 537 CB LEU A 39 -10.674 2.905 0.192 1.00 0.00 C ATOM 538 CG LEU A 39 -9.895 4.243 0.026 1.00 0.00 C ATOM 539 CD1 LEU A 39 -8.398 4.036 0.099 1.00 0.00 C ATOM 540 CD2 LEU A 39 -10.278 4.984 -1.250 1.00 0.00 C ATOM 0 H LEU A 39 -12.062 2.769 -1.885 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.469 1.749 -1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.734 3.149 0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.381 2.470 1.148 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.188 4.872 0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.892 4.994 -0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.137 3.607 1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.085 3.358 -0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.707 5.910 -1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.058 4.357 -2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.343 5.215 -1.231 1.00 0.00 H new ATOM 552 N ASN A 40 -12.132 0.489 0.300 1.00 0.00 N ATOM 553 CA ASN A 40 -12.773 -0.676 0.975 1.00 0.00 C ATOM 554 C ASN A 40 -11.943 -1.259 2.097 1.00 0.00 C ATOM 555 O ASN A 40 -12.328 -2.252 2.705 1.00 0.00 O ATOM 556 CB ASN A 40 -13.216 -1.786 0.008 1.00 0.00 C ATOM 557 CG ASN A 40 -14.570 -1.554 -0.624 1.00 0.00 C ATOM 558 OD1 ASN A 40 -14.962 -0.426 -0.906 1.00 0.00 O ATOM 559 ND2 ASN A 40 -15.306 -2.625 -0.843 1.00 0.00 N ATOM 0 H ASN A 40 -12.689 1.340 0.374 1.00 0.00 H new ATOM 0 HA ASN A 40 -13.673 -0.251 1.418 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -12.471 -1.883 -0.782 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -13.236 -2.734 0.546 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -16.232 -2.531 -1.259 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -14.949 -3.548 -0.596 1.00 0.00 H new ATOM 566 N CYS A 41 -10.880 -0.569 2.406 1.00 0.00 N ATOM 567 CA CYS A 41 -9.843 -0.984 3.362 1.00 0.00 C ATOM 568 C CYS A 41 -9.185 -2.333 2.951 1.00 0.00 C ATOM 569 O CYS A 41 -9.872 -3.338 2.736 1.00 0.00 O ATOM 570 CB CYS A 41 -10.421 -1.066 4.789 1.00 0.00 C ATOM 571 SG CYS A 41 -11.214 0.484 5.386 1.00 0.00 S ATOM 0 H CYS A 41 -10.687 0.342 1.989 1.00 0.00 H new ATOM 0 HA CYS A 41 -9.061 -0.225 3.349 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -11.155 -1.871 4.823 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -9.619 -1.336 5.476 1.00 0.00 H new ATOM 576 N ASP A 42 -7.872 -2.356 2.793 1.00 0.00 N ATOM 577 CA ASP A 42 -7.190 -3.625 2.498 1.00 0.00 C ATOM 578 C ASP A 42 -6.354 -4.047 3.702 1.00 0.00 C ATOM 579 O ASP A 42 -5.148 -3.819 3.735 1.00 0.00 O ATOM 580 CB ASP A 42 -6.307 -3.526 1.250 1.00 0.00 C ATOM 581 CG ASP A 42 -6.194 -4.854 0.507 1.00 0.00 C ATOM 582 OD1 ASP A 42 -6.188 -5.953 1.135 1.00 0.00 O ATOM 583 OD2 ASP A 42 -6.151 -4.828 -0.738 1.00 0.00 O ATOM 0 H ASP A 42 -7.263 -1.541 2.860 1.00 0.00 H new ATOM 0 HA ASP A 42 -7.953 -4.377 2.296 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.716 -2.771 0.578 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.311 -3.189 1.539 1.00 0.00 H new ATOM 588 N PRO A 43 -6.986 -4.717 4.702 1.00 0.00 N ATOM 589 CA PRO A 43 -6.350 -5.050 5.992 1.00 0.00 C ATOM 590 C PRO A 43 -5.188 -6.037 5.879 1.00 0.00 C ATOM 591 O PRO A 43 -4.388 -6.184 6.811 1.00 0.00 O ATOM 592 CB PRO A 43 -7.497 -5.679 6.811 1.00 0.00 C ATOM 593 CG PRO A 43 -8.739 -5.281 6.097 1.00 0.00 C ATOM 594 CD PRO A 43 -8.365 -5.226 4.655 1.00 0.00 C ATOM 0 HA PRO A 43 -5.906 -4.161 6.440 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.399 -6.764 6.860 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.497 -5.313 7.838 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.539 -6.001 6.268 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.101 -4.314 6.446 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -8.419 -6.208 4.184 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.022 -4.565 4.090 1.00 0.00 H new ATOM 602 N ARG A 44 -5.082 -6.677 4.737 1.00 0.00 N ATOM 603 CA ARG A 44 -4.061 -7.691 4.507 1.00 0.00 C ATOM 604 C ARG A 44 -2.699 -7.046 4.333 1.00 0.00 C ATOM 605 O ARG A 44 -1.661 -7.675 4.566 1.00 0.00 O ATOM 606 CB ARG A 44 -4.381 -8.491 3.260 1.00 0.00 C ATOM 607 CG ARG A 44 -5.829 -8.914 3.138 1.00 0.00 C ATOM 608 CD ARG A 44 -6.076 -9.579 1.804 1.00 0.00 C ATOM 609 NE ARG A 44 -5.561 -8.770 0.680 1.00 0.00 N ATOM 610 CZ ARG A 44 -4.788 -9.250 -0.307 1.00 0.00 C ATOM 611 NH1 ARG A 44 -4.287 -10.483 -0.235 1.00 0.00 N ATOM 612 NH2 ARG A 44 -4.471 -8.489 -1.343 1.00 0.00 N ATOM 0 H ARG A 44 -5.696 -6.515 3.939 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.045 -8.351 5.374 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.114 -7.898 2.385 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.753 -9.382 3.245 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.083 -9.601 3.946 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.478 -8.045 3.243 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.600 -10.559 1.794 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.146 -9.743 1.673 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.809 -7.781 0.652 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.490 -11.070 0.574 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.701 -10.840 -0.989 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.815 -7.530 -1.396 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.883 -8.862 -2.089 1.00 0.00 H new ATOM 626 N ILE A 45 -2.708 -5.810 3.910 1.00 0.00 N ATOM 627 CA ILE A 45 -1.501 -5.075 3.691 1.00 0.00 C ATOM 628 C ILE A 45 -1.023 -4.510 5.014 1.00 0.00 C ATOM 629 O ILE A 45 -1.826 -4.173 5.884 1.00 0.00 O ATOM 630 CB ILE A 45 -1.739 -3.948 2.636 1.00 0.00 C ATOM 631 CG1 ILE A 45 -1.965 -4.590 1.271 1.00 0.00 C ATOM 632 CG2 ILE A 45 -0.569 -2.959 2.570 1.00 0.00 C ATOM 633 CD1 ILE A 45 -2.465 -3.638 0.200 1.00 0.00 C ATOM 0 H ILE A 45 -3.560 -5.286 3.708 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.728 -5.733 3.293 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.618 -3.378 2.937 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.029 -5.036 0.934 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.683 -5.402 1.381 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.781 -2.194 1.823 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.436 -2.488 3.544 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.342 -3.491 2.297 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.597 -4.181 -0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.419 -3.211 0.510 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.739 -2.838 0.056 1.00 0.00 H new ATOM 645 N ALA A 46 0.270 -4.467 5.187 1.00 0.00 N ATOM 646 CA ALA A 46 0.834 -3.904 6.381 1.00 0.00 C ATOM 647 C ALA A 46 1.066 -2.428 6.156 1.00 0.00 C ATOM 648 O ALA A 46 0.489 -1.582 6.839 1.00 0.00 O ATOM 649 CB ALA A 46 2.129 -4.603 6.753 1.00 0.00 C ATOM 0 H ALA A 46 0.953 -4.816 4.515 1.00 0.00 H new ATOM 0 HA ALA A 46 0.141 -4.044 7.211 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.535 -4.157 7.661 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.935 -5.662 6.924 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.848 -4.493 5.941 1.00 0.00 H new ATOM 655 N TYR A 47 1.875 -2.124 5.169 1.00 0.00 N ATOM 656 CA TYR A 47 2.210 -0.760 4.807 1.00 0.00 C ATOM 657 C TYR A 47 2.837 -0.751 3.431 1.00 0.00 C ATOM 658 O TYR A 47 3.068 -1.821 2.841 1.00 0.00 O ATOM 659 CB TYR A 47 3.159 -0.090 5.850 1.00 0.00 C ATOM 660 CG TYR A 47 4.048 -1.036 6.657 1.00 0.00 C ATOM 661 CD1 TYR A 47 5.008 -1.826 6.047 1.00 0.00 C ATOM 662 CD2 TYR A 47 3.916 -1.123 8.037 1.00 0.00 C ATOM 663 CE1 TYR A 47 5.806 -2.678 6.782 1.00 0.00 C ATOM 664 CE2 TYR A 47 4.715 -1.970 8.781 1.00 0.00 C ATOM 665 CZ TYR A 47 5.658 -2.744 8.147 1.00 0.00 C ATOM 666 OH TYR A 47 6.468 -3.591 8.884 1.00 0.00 O ATOM 0 H TYR A 47 2.328 -2.826 4.583 1.00 0.00 H new ATOM 0 HA TYR A 47 1.291 -0.174 4.798 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.800 0.618 5.325 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.550 0.486 6.547 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.134 -1.774 4.976 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.175 -0.517 8.538 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.544 -3.291 6.287 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.600 -2.024 9.853 1.00 0.00 H new ATOM 0 HH TYR A 47 6.238 -3.519 9.834 1.00 0.00 H new ATOM 676 N GLY A 48 3.083 0.416 2.917 1.00 0.00 N ATOM 677 CA GLY A 48 3.714 0.553 1.652 1.00 0.00 C ATOM 678 C GLY A 48 5.162 0.849 1.858 1.00 0.00 C ATOM 679 O GLY A 48 5.535 1.986 2.138 1.00 0.00 O ATOM 0 H GLY A 48 2.848 1.299 3.370 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.596 -0.362 1.072 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.244 1.354 1.082 1.00 0.00 H new ATOM 683 N VAL A 49 5.975 -0.155 1.748 1.00 0.00 N ATOM 684 CA VAL A 49 7.382 -0.017 1.985 1.00 0.00 C ATOM 685 C VAL A 49 8.077 0.582 0.778 1.00 0.00 C ATOM 686 O VAL A 49 8.187 -0.047 -0.276 1.00 0.00 O ATOM 687 CB VAL A 49 8.071 -1.368 2.371 1.00 0.00 C ATOM 688 CG1 VAL A 49 9.564 -1.168 2.626 1.00 0.00 C ATOM 689 CG2 VAL A 49 7.425 -1.963 3.601 1.00 0.00 C ATOM 0 H VAL A 49 5.683 -1.098 1.490 1.00 0.00 H new ATOM 0 HA VAL A 49 7.481 0.656 2.837 1.00 0.00 H new ATOM 0 HB VAL A 49 7.946 -2.054 1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.019 -2.122 2.892 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.038 -0.779 1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.702 -0.460 3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.918 -2.902 3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.521 -1.268 4.435 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.369 -2.149 3.403 1.00 0.00 H new ATOM 699 N CYS A 50 8.467 1.806 0.907 1.00 0.00 N ATOM 700 CA CYS A 50 9.298 2.432 -0.071 1.00 0.00 C ATOM 701 C CYS A 50 10.730 2.078 0.290 1.00 0.00 C ATOM 702 O CYS A 50 11.071 2.077 1.486 1.00 0.00 O ATOM 703 CB CYS A 50 9.087 3.954 -0.087 1.00 0.00 C ATOM 704 SG CYS A 50 7.788 4.540 -1.247 1.00 0.00 S ATOM 0 H CYS A 50 8.219 2.404 1.695 1.00 0.00 H new ATOM 0 HA CYS A 50 9.052 2.081 -1.073 1.00 0.00 H new ATOM 0 HB2 CYS A 50 8.829 4.281 0.920 1.00 0.00 H new ATOM 0 HB3 CYS A 50 10.030 4.435 -0.347 1.00 0.00 H new ATOM 709 N PRO A 51 11.568 1.722 -0.698 1.00 0.00 N ATOM 710 CA PRO A 51 12.959 1.284 -0.467 1.00 0.00 C ATOM 711 C PRO A 51 13.882 2.409 0.033 1.00 0.00 C ATOM 712 O PRO A 51 14.803 2.849 -0.664 1.00 0.00 O ATOM 713 CB PRO A 51 13.416 0.773 -1.846 1.00 0.00 C ATOM 714 CG PRO A 51 12.166 0.637 -2.645 1.00 0.00 C ATOM 715 CD PRO A 51 11.238 1.690 -2.131 1.00 0.00 C ATOM 0 HA PRO A 51 13.008 0.531 0.320 1.00 0.00 H new ATOM 0 HB2 PRO A 51 14.109 1.471 -2.315 1.00 0.00 H new ATOM 0 HB3 PRO A 51 13.935 -0.182 -1.760 1.00 0.00 H new ATOM 0 HG2 PRO A 51 12.364 0.775 -3.708 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.733 -0.357 -2.528 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.410 2.654 -2.610 1.00 0.00 H new ATOM 0 HD3 PRO A 51 10.193 1.431 -2.303 1.00 0.00 H new ATOM 723 N ARG A 52 13.613 2.868 1.226 1.00 0.00 N ATOM 724 CA ARG A 52 14.400 3.868 1.894 1.00 0.00 C ATOM 725 C ARG A 52 14.614 3.408 3.307 1.00 0.00 C ATOM 726 O ARG A 52 13.654 3.279 4.071 1.00 0.00 O ATOM 727 CB ARG A 52 13.674 5.213 1.949 1.00 0.00 C ATOM 728 CG ARG A 52 13.293 5.809 0.621 1.00 0.00 C ATOM 729 CD ARG A 52 12.640 7.156 0.830 1.00 0.00 C ATOM 730 NE ARG A 52 12.119 7.716 -0.405 1.00 0.00 N ATOM 731 CZ ARG A 52 12.319 8.958 -0.830 1.00 0.00 C ATOM 732 NH1 ARG A 52 13.088 9.806 -0.146 1.00 0.00 N ATOM 733 NH2 ARG A 52 11.765 9.347 -1.961 1.00 0.00 N ATOM 0 H ARG A 52 12.816 2.546 1.776 1.00 0.00 H new ATOM 0 HA ARG A 52 15.335 3.998 1.349 1.00 0.00 H new ATOM 0 HB2 ARG A 52 12.769 5.091 2.544 1.00 0.00 H new ATOM 0 HB3 ARG A 52 14.309 5.925 2.476 1.00 0.00 H new ATOM 0 HG2 ARG A 52 14.178 5.918 -0.006 1.00 0.00 H new ATOM 0 HG3 ARG A 52 12.610 5.142 0.096 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.829 7.056 1.551 1.00 0.00 H new ATOM 0 HD3 ARG A 52 13.366 7.846 1.261 1.00 0.00 H new ATOM 0 HE ARG A 52 11.553 7.105 -0.994 1.00 0.00 H new ATOM 0 HH11 ARG A 52 13.535 9.504 0.720 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.230 10.756 -0.489 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.191 8.697 -2.498 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.910 10.298 -2.299 1.00 0.00 H new ATOM 747 N SER A 53 15.807 3.104 3.651 1.00 0.00 N ATOM 748 CA SER A 53 16.106 2.733 4.988 1.00 0.00 C ATOM 749 C SER A 53 17.380 3.426 5.413 1.00 0.00 C ATOM 750 O SER A 53 18.432 3.177 4.796 1.00 0.00 O ATOM 751 CB SER A 53 16.177 1.208 5.119 1.00 0.00 C ATOM 752 OG SER A 53 14.915 0.626 4.782 1.00 0.00 O ATOM 753 OXT SER A 53 17.311 4.290 6.308 1.00 0.00 O ATOM 0 H SER A 53 16.607 3.104 3.018 1.00 0.00 H new ATOM 0 HA SER A 53 15.312 3.055 5.661 1.00 0.00 H new ATOM 0 HB2 SER A 53 16.954 0.815 4.464 1.00 0.00 H new ATOM 0 HB3 SER A 53 16.451 0.935 6.138 1.00 0.00 H new ATOM 0 HG SER A 53 14.971 -0.349 4.867 1.00 0.00 H new TER 759 SER A 53