USER MOD reduce.3.24.130724 H: found=0, std=0, add=244, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 244 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 Single : A 1 ALA N :NH3+ -128:sc= 0.0914 (180deg=0) USER MOD Single : A 10 SER OG : rot 170:sc= -0.0665 USER MOD Single : A 11 LYS NZ :NH3+ 149:sc= -0.585 (180deg=-1.78!) USER MOD Single : A 16 ASN : amide:sc= -0.594 K(o=-0.59,f=-4.2!) USER MOD Single : A 17 LYS NZ :NH3+ -123:sc= 0.183 (180deg=-0.368) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 36:sc= 0.0676 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -118:sc= -2.26 (180deg=-7.05!) USER MOD Single : A 28 TYR OH : rot -123:sc= 0.0473 USER MOD Single : A 30 ASN : amide:sc= -7.09! C(o=-7.1!,f=-17!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.579 -3.231 -13.360 1.00 1.00 N ATOM 2 CA ALA A 1 -1.693 -2.987 -12.192 1.00 1.00 C ATOM 3 C ALA A 1 -0.372 -3.732 -12.343 1.00 1.00 C ATOM 4 O ALA A 1 -0.071 -4.275 -13.406 1.00 1.00 O ATOM 5 CB ALA A 1 -2.390 -3.405 -10.906 1.00 1.00 C ATOM 0 H1 ALA A 1 -2.904 -2.321 -13.746 1.00 1.00 H new ATOM 0 H2 ALA A 1 -2.053 -3.750 -14.092 1.00 1.00 H new ATOM 0 H3 ALA A 1 -3.401 -3.793 -13.061 1.00 1.00 H new ATOM 0 HA ALA A 1 -1.477 -1.920 -12.146 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -1.730 -3.221 -10.058 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -3.306 -2.828 -10.785 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -2.634 -4.466 -10.953 1.00 1.00 H new ATOM 13 N ASP A 2 0.415 -3.755 -11.272 1.00 1.00 N ATOM 14 CA ASP A 2 1.705 -4.435 -11.285 1.00 1.00 C ATOM 15 C ASP A 2 1.553 -5.899 -10.886 1.00 1.00 C ATOM 16 O ASP A 2 0.474 -6.335 -10.484 1.00 1.00 O ATOM 17 CB ASP A 2 2.683 -3.735 -10.339 1.00 1.00 C ATOM 18 CG ASP A 2 4.106 -3.754 -10.861 1.00 1.00 C ATOM 19 OD1 ASP A 2 4.415 -4.615 -11.712 1.00 1.00 O ATOM 20 OD2 ASP A 2 4.912 -2.908 -10.420 1.00 1.00 O ATOM 0 H ASP A 2 0.182 -3.310 -10.384 1.00 1.00 H new ATOM 0 HA ASP A 2 2.099 -4.394 -12.300 1.00 1.00 H new ATOM 0 HB2 ASP A 2 2.366 -2.702 -10.193 1.00 1.00 H new ATOM 0 HB3 ASP A 2 2.650 -4.220 -9.363 1.00 1.00 H new ATOM 25 N ASP A 3 2.641 -6.653 -10.999 1.00 1.00 N ATOM 26 CA ASP A 3 2.629 -8.069 -10.650 1.00 1.00 C ATOM 27 C ASP A 3 2.454 -8.257 -9.147 1.00 1.00 C ATOM 28 O ASP A 3 1.871 -9.245 -8.698 1.00 1.00 O ATOM 29 CB ASP A 3 3.923 -8.741 -11.112 1.00 1.00 C ATOM 30 CG ASP A 3 4.267 -8.407 -12.551 1.00 1.00 C ATOM 31 OD1 ASP A 3 3.529 -8.851 -13.456 1.00 1.00 O ATOM 32 OD2 ASP A 3 5.273 -7.701 -12.772 1.00 1.00 O ATOM 0 H ASP A 3 3.542 -6.308 -11.329 1.00 1.00 H new ATOM 0 HA ASP A 3 1.785 -8.535 -11.157 1.00 1.00 H new ATOM 0 HB2 ASP A 3 4.742 -8.430 -10.464 1.00 1.00 H new ATOM 0 HB3 ASP A 3 3.826 -9.821 -11.006 1.00 1.00 H new ATOM 37 N ASP A 4 2.962 -7.304 -8.373 1.00 1.00 N ATOM 38 CA ASP A 4 2.864 -7.359 -6.929 1.00 1.00 C ATOM 39 C ASP A 4 2.997 -5.967 -6.319 1.00 1.00 C ATOM 40 O ASP A 4 2.953 -4.961 -7.028 1.00 1.00 O ATOM 41 CB ASP A 4 3.940 -8.287 -6.367 1.00 1.00 C ATOM 42 CG ASP A 4 3.374 -9.320 -5.412 1.00 1.00 C ATOM 43 OD1 ASP A 4 2.462 -8.971 -4.633 1.00 1.00 O ATOM 44 OD2 ASP A 4 3.843 -10.477 -5.442 1.00 1.00 O ATOM 0 H ASP A 4 3.448 -6.481 -8.730 1.00 1.00 H new ATOM 0 HA ASP A 4 1.881 -7.751 -6.667 1.00 1.00 H new ATOM 0 HB2 ASP A 4 4.443 -8.795 -7.190 1.00 1.00 H new ATOM 0 HB3 ASP A 4 4.694 -7.693 -5.850 1.00 1.00 H new ATOM 49 N CYS A 5 3.159 -5.917 -5.001 1.00 1.00 N ATOM 50 CA CYS A 5 3.299 -4.649 -4.295 1.00 1.00 C ATOM 51 C CYS A 5 2.080 -3.761 -4.521 1.00 1.00 C ATOM 52 O CYS A 5 1.063 -4.208 -5.052 1.00 1.00 O ATOM 53 CB CYS A 5 4.562 -3.922 -4.755 1.00 1.00 C ATOM 54 SG CYS A 5 6.057 -4.964 -4.765 1.00 1.00 S ATOM 0 H CYS A 5 3.197 -6.740 -4.400 1.00 1.00 H new ATOM 0 HA CYS A 5 3.378 -4.864 -3.229 1.00 1.00 H new ATOM 0 HB2 CYS A 5 4.398 -3.531 -5.759 1.00 1.00 H new ATOM 0 HB3 CYS A 5 4.733 -3.065 -4.103 1.00 1.00 H new ATOM 59 N LEU A 6 2.190 -2.500 -4.116 1.00 1.00 N ATOM 60 CA LEU A 6 1.097 -1.550 -4.275 1.00 1.00 C ATOM 61 C LEU A 6 1.609 -0.111 -4.222 1.00 1.00 C ATOM 62 O LEU A 6 1.880 0.417 -3.143 1.00 1.00 O ATOM 63 CB LEU A 6 0.044 -1.770 -3.186 1.00 1.00 C ATOM 64 CG LEU A 6 -1.143 -2.636 -3.609 1.00 1.00 C ATOM 65 CD1 LEU A 6 -0.932 -4.080 -3.179 1.00 1.00 C ATOM 66 CD2 LEU A 6 -2.439 -2.089 -3.027 1.00 1.00 C ATOM 0 H LEU A 6 3.025 -2.113 -3.676 1.00 1.00 H new ATOM 0 HA LEU A 6 0.643 -1.717 -5.252 1.00 1.00 H new ATOM 0 HB2 LEU A 6 0.524 -2.232 -2.324 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -0.330 -0.799 -2.860 1.00 1.00 H new ATOM 0 HG LEU A 6 -1.217 -2.609 -4.696 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -1.787 -4.681 -3.489 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -0.027 -4.470 -3.645 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -0.830 -4.126 -2.095 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -3.272 -2.719 -3.339 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -2.376 -2.084 -1.939 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -2.598 -1.072 -3.386 1.00 1.00 H new ATOM 78 N PRO A 7 1.747 0.549 -5.386 1.00 1.00 N ATOM 79 CA PRO A 7 2.226 1.933 -5.452 1.00 1.00 C ATOM 80 C PRO A 7 1.299 2.897 -4.729 1.00 1.00 C ATOM 81 O PRO A 7 0.214 2.520 -4.284 1.00 1.00 O ATOM 82 CB PRO A 7 2.256 2.244 -6.952 1.00 1.00 C ATOM 83 CG PRO A 7 1.352 1.238 -7.578 1.00 1.00 C ATOM 84 CD PRO A 7 1.446 0.007 -6.723 1.00 1.00 C ATOM 0 HA PRO A 7 3.196 2.046 -4.967 1.00 1.00 H new ATOM 0 HB2 PRO A 7 1.913 3.259 -7.151 1.00 1.00 H new ATOM 0 HB3 PRO A 7 3.268 2.166 -7.350 1.00 1.00 H new ATOM 0 HG2 PRO A 7 0.327 1.607 -7.619 1.00 1.00 H new ATOM 0 HG3 PRO A 7 1.656 1.025 -8.603 1.00 1.00 H new ATOM 0 HD2 PRO A 7 0.514 -0.559 -6.728 1.00 1.00 H new ATOM 0 HD3 PRO A 7 2.230 -0.666 -7.071 1.00 1.00 H new ATOM 92 N ARG A 8 1.741 4.139 -4.606 1.00 1.00 N ATOM 93 CA ARG A 8 0.972 5.159 -3.932 1.00 1.00 C ATOM 94 C ARG A 8 -0.274 5.522 -4.733 1.00 1.00 C ATOM 95 O ARG A 8 -0.316 6.554 -5.402 1.00 1.00 O ATOM 96 CB ARG A 8 1.828 6.406 -3.701 1.00 1.00 C ATOM 97 CG ARG A 8 2.504 6.922 -4.961 1.00 1.00 C ATOM 98 CD ARG A 8 3.955 6.473 -5.039 1.00 1.00 C ATOM 99 NE ARG A 8 4.351 6.138 -6.405 1.00 1.00 N ATOM 100 CZ ARG A 8 5.577 5.748 -6.746 1.00 1.00 C ATOM 101 NH1 ARG A 8 6.528 5.643 -5.826 1.00 1.00 N ATOM 102 NH2 ARG A 8 5.853 5.463 -8.011 1.00 1.00 N ATOM 0 H ARG A 8 2.638 4.461 -4.970 1.00 1.00 H new ATOM 0 HA ARG A 8 0.657 4.761 -2.967 1.00 1.00 H new ATOM 0 HB2 ARG A 8 1.201 7.195 -3.286 1.00 1.00 H new ATOM 0 HB3 ARG A 8 2.591 6.180 -2.956 1.00 1.00 H new ATOM 0 HG2 ARG A 8 1.964 6.564 -5.838 1.00 1.00 H new ATOM 0 HG3 ARG A 8 2.457 8.011 -4.980 1.00 1.00 H new ATOM 0 HD2 ARG A 8 4.600 7.264 -4.658 1.00 1.00 H new ATOM 0 HD3 ARG A 8 4.101 5.605 -4.396 1.00 1.00 H new ATOM 0 HE ARG A 8 3.647 6.207 -7.140 1.00 1.00 H new ATOM 0 HH11 ARG A 8 6.321 5.862 -4.851 1.00 1.00 H new ATOM 0 HH12 ARG A 8 7.466 5.344 -6.094 1.00 1.00 H new ATOM 0 HH21 ARG A 8 5.126 5.543 -8.722 1.00 1.00 H new ATOM 0 HH22 ARG A 8 6.792 5.164 -8.273 1.00 1.00 H new ATOM 116 N GLY A 9 -1.287 4.665 -4.658 1.00 1.00 N ATOM 117 CA GLY A 9 -2.522 4.910 -5.380 1.00 1.00 C ATOM 118 C GLY A 9 -3.639 3.977 -4.960 1.00 1.00 C ATOM 119 O GLY A 9 -4.798 4.384 -4.873 1.00 1.00 O ATOM 0 H GLY A 9 -1.275 3.805 -4.110 1.00 1.00 H new ATOM 0 HA2 GLY A 9 -2.835 5.941 -5.217 1.00 1.00 H new ATOM 0 HA3 GLY A 9 -2.342 4.797 -6.449 1.00 1.00 H new ATOM 123 N SER A 10 -3.291 2.724 -4.699 1.00 1.00 N ATOM 124 CA SER A 10 -4.273 1.728 -4.285 1.00 1.00 C ATOM 125 C SER A 10 -4.477 1.761 -2.774 1.00 1.00 C ATOM 126 O SER A 10 -3.566 2.107 -2.022 1.00 1.00 O ATOM 127 CB SER A 10 -3.827 0.331 -4.721 1.00 1.00 C ATOM 128 OG SER A 10 -4.778 -0.649 -4.341 1.00 1.00 O ATOM 0 H SER A 10 -2.336 2.372 -4.766 1.00 1.00 H new ATOM 0 HA SER A 10 -5.221 1.966 -4.767 1.00 1.00 H new ATOM 0 HB2 SER A 10 -3.691 0.310 -5.802 1.00 1.00 H new ATOM 0 HB3 SER A 10 -2.861 0.098 -4.273 1.00 1.00 H new ATOM 0 HG SER A 10 -4.555 -1.503 -4.766 1.00 1.00 H new ATOM 134 N LYS A 11 -5.679 1.403 -2.336 1.00 1.00 N ATOM 135 CA LYS A 11 -6.004 1.395 -0.919 1.00 1.00 C ATOM 136 C LYS A 11 -5.261 0.278 -0.194 1.00 1.00 C ATOM 137 O LYS A 11 -4.618 -0.562 -0.823 1.00 1.00 O ATOM 138 CB LYS A 11 -7.512 1.233 -0.720 1.00 1.00 C ATOM 139 CG LYS A 11 -8.270 2.550 -0.717 1.00 1.00 C ATOM 140 CD LYS A 11 -9.708 2.367 -1.175 1.00 1.00 C ATOM 141 CE LYS A 11 -9.818 2.402 -2.691 1.00 1.00 C ATOM 142 NZ LYS A 11 -9.542 1.071 -3.299 1.00 1.00 N ATOM 0 H LYS A 11 -6.444 1.114 -2.945 1.00 1.00 H new ATOM 0 HA LYS A 11 -5.689 2.349 -0.496 1.00 1.00 H new ATOM 0 HB2 LYS A 11 -7.908 0.597 -1.512 1.00 1.00 H new ATOM 0 HB3 LYS A 11 -7.692 0.717 0.223 1.00 1.00 H new ATOM 0 HG2 LYS A 11 -8.258 2.975 0.286 1.00 1.00 H new ATOM 0 HG3 LYS A 11 -7.767 3.262 -1.371 1.00 1.00 H new ATOM 0 HD2 LYS A 11 -10.091 1.417 -0.803 1.00 1.00 H new ATOM 0 HD3 LYS A 11 -10.331 3.152 -0.746 1.00 1.00 H new ATOM 0 HE2 LYS A 11 -10.818 2.730 -2.975 1.00 1.00 H new ATOM 0 HE3 LYS A 11 -9.117 3.135 -3.089 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 -10.096 0.967 -4.173 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 -8.529 0.994 -3.520 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 -9.808 0.321 -2.629 1.00 1.00 H new ATOM 156 N CYS A 12 -5.351 0.277 1.132 1.00 1.00 N ATOM 157 CA CYS A 12 -4.683 -0.737 1.940 1.00 1.00 C ATOM 158 C CYS A 12 -5.359 -0.887 3.299 1.00 1.00 C ATOM 159 O CYS A 12 -4.701 -1.169 4.301 1.00 1.00 O ATOM 160 CB CYS A 12 -3.209 -0.376 2.128 1.00 1.00 C ATOM 161 SG CYS A 12 -2.157 -1.778 2.625 1.00 1.00 S ATOM 0 H CYS A 12 -5.879 0.965 1.669 1.00 1.00 H new ATOM 0 HA CYS A 12 -4.755 -1.689 1.414 1.00 1.00 H new ATOM 0 HB2 CYS A 12 -2.826 0.039 1.196 1.00 1.00 H new ATOM 0 HB3 CYS A 12 -3.131 0.408 2.882 1.00 1.00 H new ATOM 166 N LEU A 13 -6.674 -0.699 3.329 1.00 1.00 N ATOM 167 CA LEU A 13 -7.433 -0.817 4.568 1.00 1.00 C ATOM 168 C LEU A 13 -7.495 -2.270 5.029 1.00 1.00 C ATOM 169 O LEU A 13 -6.865 -2.645 6.018 1.00 1.00 O ATOM 170 CB LEU A 13 -8.848 -0.261 4.383 1.00 1.00 C ATOM 171 CG LEU A 13 -9.380 0.560 5.560 1.00 1.00 C ATOM 172 CD1 LEU A 13 -9.632 -0.335 6.763 1.00 1.00 C ATOM 173 CD2 LEU A 13 -8.408 1.675 5.916 1.00 1.00 C ATOM 0 H LEU A 13 -7.236 -0.465 2.510 1.00 1.00 H new ATOM 0 HA LEU A 13 -6.924 -0.234 5.335 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -8.863 0.362 3.489 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -9.528 -1.093 4.203 1.00 1.00 H new ATOM 0 HG LEU A 13 -10.327 1.012 5.265 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -10.010 0.266 7.590 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -10.367 -1.097 6.502 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -8.700 -0.816 7.060 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -8.803 2.248 6.755 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -7.445 1.244 6.192 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -8.278 2.333 5.057 1.00 1.00 H new ATOM 185 N GLY A 14 -8.258 -3.084 4.306 1.00 1.00 N ATOM 186 CA GLY A 14 -8.386 -4.482 4.655 1.00 1.00 C ATOM 187 C GLY A 14 -7.376 -5.357 3.940 1.00 1.00 C ATOM 188 O GLY A 14 -7.121 -6.488 4.352 1.00 1.00 O ATOM 0 H GLY A 14 -8.790 -2.797 3.484 1.00 1.00 H new ATOM 0 HA2 GLY A 14 -8.262 -4.596 5.732 1.00 1.00 H new ATOM 0 HA3 GLY A 14 -9.393 -4.823 4.412 1.00 1.00 H new ATOM 192 N GLU A 15 -6.806 -4.831 2.860 1.00 1.00 N ATOM 193 CA GLU A 15 -5.822 -5.555 2.068 1.00 1.00 C ATOM 194 C GLU A 15 -4.807 -6.287 2.937 1.00 1.00 C ATOM 195 O GLU A 15 -4.109 -5.678 3.747 1.00 1.00 O ATOM 196 CB GLU A 15 -5.096 -4.590 1.132 1.00 1.00 C ATOM 197 CG GLU A 15 -5.437 -4.814 -0.325 1.00 1.00 C ATOM 198 CD GLU A 15 -4.225 -5.165 -1.166 1.00 1.00 C ATOM 199 OE1 GLU A 15 -3.106 -4.749 -0.798 1.00 1.00 O ATOM 200 OE2 GLU A 15 -4.395 -5.855 -2.193 1.00 1.00 O ATOM 0 H GLU A 15 -7.013 -3.895 2.512 1.00 1.00 H new ATOM 0 HA GLU A 15 -6.360 -6.305 1.488 1.00 1.00 H new ATOM 0 HB2 GLU A 15 -5.350 -3.566 1.406 1.00 1.00 H new ATOM 0 HB3 GLU A 15 -4.020 -4.699 1.269 1.00 1.00 H new ATOM 0 HG2 GLU A 15 -6.171 -5.616 -0.402 1.00 1.00 H new ATOM 0 HG3 GLU A 15 -5.904 -3.914 -0.726 1.00 1.00 H new ATOM 207 N ASN A 16 -4.720 -7.596 2.741 1.00 1.00 N ATOM 208 CA ASN A 16 -3.778 -8.417 3.480 1.00 1.00 C ATOM 209 C ASN A 16 -2.470 -8.556 2.705 1.00 1.00 C ATOM 210 O ASN A 16 -1.509 -9.152 3.192 1.00 1.00 O ATOM 211 CB ASN A 16 -4.374 -9.798 3.757 1.00 1.00 C ATOM 212 CG ASN A 16 -4.925 -10.451 2.504 1.00 1.00 C ATOM 213 OD1 ASN A 16 -4.338 -10.348 1.427 1.00 1.00 O ATOM 214 ND2 ASN A 16 -6.059 -11.128 2.639 1.00 1.00 N ATOM 0 H ASN A 16 -5.294 -8.111 2.073 1.00 1.00 H new ATOM 0 HA ASN A 16 -3.571 -7.929 4.432 1.00 1.00 H new ATOM 0 HB2 ASN A 16 -3.609 -10.441 4.192 1.00 1.00 H new ATOM 0 HB3 ASN A 16 -5.170 -9.706 4.496 1.00 1.00 H new ATOM 0 HD21 ASN A 16 -6.477 -11.589 1.831 1.00 1.00 H new ATOM 0 HD22 ASN A 16 -6.512 -11.188 3.551 1.00 1.00 H new ATOM 221 N LYS A 17 -2.439 -8.001 1.492 1.00 1.00 N ATOM 222 CA LYS A 17 -1.247 -8.064 0.654 1.00 1.00 C ATOM 223 C LYS A 17 -0.134 -7.191 1.222 1.00 1.00 C ATOM 224 O LYS A 17 -0.376 -6.330 2.067 1.00 1.00 O ATOM 225 CB LYS A 17 -1.578 -7.624 -0.773 1.00 1.00 C ATOM 226 CG LYS A 17 -0.812 -8.389 -1.840 1.00 1.00 C ATOM 227 CD LYS A 17 -1.649 -8.587 -3.093 1.00 1.00 C ATOM 228 CE LYS A 17 -1.415 -9.958 -3.708 1.00 1.00 C ATOM 229 NZ LYS A 17 -0.028 -10.103 -4.230 1.00 1.00 N ATOM 0 H LYS A 17 -3.225 -7.505 1.072 1.00 1.00 H new ATOM 0 HA LYS A 17 -0.900 -9.097 0.638 1.00 1.00 H new ATOM 0 HB2 LYS A 17 -2.647 -7.751 -0.944 1.00 1.00 H new ATOM 0 HB3 LYS A 17 -1.362 -6.560 -0.875 1.00 1.00 H new ATOM 0 HG2 LYS A 17 0.100 -7.848 -2.092 1.00 1.00 H new ATOM 0 HG3 LYS A 17 -0.509 -9.359 -1.447 1.00 1.00 H new ATOM 0 HD2 LYS A 17 -2.705 -8.472 -2.848 1.00 1.00 H new ATOM 0 HD3 LYS A 17 -1.404 -7.814 -3.821 1.00 1.00 H new ATOM 0 HE2 LYS A 17 -1.604 -10.728 -2.960 1.00 1.00 H new ATOM 0 HE3 LYS A 17 -2.126 -10.119 -4.518 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 -0.061 -10.349 -5.240 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 0.484 -9.206 -4.108 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 0.463 -10.856 -3.707 1.00 1.00 H new ATOM 243 N GLN A 18 1.088 -7.420 0.752 1.00 1.00 N ATOM 244 CA GLN A 18 2.241 -6.654 1.211 1.00 1.00 C ATOM 245 C GLN A 18 2.839 -5.838 0.071 1.00 1.00 C ATOM 246 O GLN A 18 3.077 -6.357 -1.020 1.00 1.00 O ATOM 247 CB GLN A 18 3.301 -7.590 1.796 1.00 1.00 C ATOM 248 CG GLN A 18 2.881 -8.243 3.103 1.00 1.00 C ATOM 249 CD GLN A 18 3.470 -7.550 4.316 1.00 1.00 C ATOM 250 OE1 GLN A 18 4.684 -7.553 4.519 1.00 1.00 O ATOM 251 NE2 GLN A 18 2.609 -6.950 5.130 1.00 1.00 N ATOM 0 H GLN A 18 1.305 -8.130 0.053 1.00 1.00 H new ATOM 0 HA GLN A 18 1.905 -5.967 1.988 1.00 1.00 H new ATOM 0 HB2 GLN A 18 3.529 -8.368 1.067 1.00 1.00 H new ATOM 0 HB3 GLN A 18 4.220 -7.027 1.959 1.00 1.00 H new ATOM 0 HG2 GLN A 18 1.794 -8.234 3.176 1.00 1.00 H new ATOM 0 HG3 GLN A 18 3.192 -9.288 3.099 1.00 1.00 H new ATOM 0 HE21 GLN A 18 1.611 -6.973 4.923 1.00 1.00 H new ATOM 0 HE22 GLN A 18 2.946 -6.466 5.962 1.00 1.00 H new ATOM 260 N CYS A 19 3.082 -4.557 0.329 1.00 1.00 N ATOM 261 CA CYS A 19 3.653 -3.669 -0.677 1.00 1.00 C ATOM 262 C CYS A 19 5.111 -4.026 -0.951 1.00 1.00 C ATOM 263 O CYS A 19 5.645 -4.977 -0.379 1.00 1.00 O ATOM 264 CB CYS A 19 3.548 -2.213 -0.221 1.00 1.00 C ATOM 265 SG CYS A 19 1.838 -1.595 -0.098 1.00 1.00 S ATOM 0 H CYS A 19 2.892 -4.111 1.226 1.00 1.00 H new ATOM 0 HA CYS A 19 3.087 -3.794 -1.600 1.00 1.00 H new ATOM 0 HB2 CYS A 19 4.031 -2.112 0.751 1.00 1.00 H new ATOM 0 HB3 CYS A 19 4.101 -1.584 -0.918 1.00 1.00 H new ATOM 270 N CYS A 20 5.749 -3.260 -1.829 1.00 1.00 N ATOM 271 CA CYS A 20 7.145 -3.498 -2.178 1.00 1.00 C ATOM 272 C CYS A 20 8.065 -3.154 -1.012 1.00 1.00 C ATOM 273 O CYS A 20 7.627 -2.603 -0.002 1.00 1.00 O ATOM 274 CB CYS A 20 7.534 -2.678 -3.410 1.00 1.00 C ATOM 275 SG CYS A 20 7.577 -3.633 -4.962 1.00 1.00 S ATOM 0 H CYS A 20 5.322 -2.469 -2.312 1.00 1.00 H new ATOM 0 HA CYS A 20 7.259 -4.558 -2.406 1.00 1.00 H new ATOM 0 HB2 CYS A 20 6.828 -1.855 -3.522 1.00 1.00 H new ATOM 0 HB3 CYS A 20 8.516 -2.235 -3.242 1.00 1.00 H new ATOM 280 N LYS A 21 9.342 -3.488 -1.159 1.00 1.00 N ATOM 281 CA LYS A 21 10.328 -3.222 -0.124 1.00 1.00 C ATOM 282 C LYS A 21 10.635 -1.731 -0.027 1.00 1.00 C ATOM 283 O LYS A 21 11.067 -1.112 -1.000 1.00 1.00 O ATOM 284 CB LYS A 21 11.614 -4.002 -0.404 1.00 1.00 C ATOM 285 CG LYS A 21 12.556 -4.068 0.787 1.00 1.00 C ATOM 286 CD LYS A 21 13.968 -4.435 0.360 1.00 1.00 C ATOM 287 CE LYS A 21 14.651 -3.282 -0.356 1.00 1.00 C ATOM 288 NZ LYS A 21 15.454 -2.445 0.578 1.00 1.00 N ATOM 0 H LYS A 21 9.718 -3.945 -1.990 1.00 1.00 H new ATOM 0 HA LYS A 21 9.911 -3.548 0.829 1.00 1.00 H new ATOM 0 HB2 LYS A 21 11.355 -5.016 -0.709 1.00 1.00 H new ATOM 0 HB3 LYS A 21 12.134 -3.540 -1.243 1.00 1.00 H new ATOM 0 HG2 LYS A 21 12.568 -3.105 1.297 1.00 1.00 H new ATOM 0 HG3 LYS A 21 12.188 -4.803 1.503 1.00 1.00 H new ATOM 0 HD2 LYS A 21 14.552 -4.718 1.236 1.00 1.00 H new ATOM 0 HD3 LYS A 21 13.936 -5.305 -0.296 1.00 1.00 H new ATOM 0 HE2 LYS A 21 15.299 -3.674 -1.140 1.00 1.00 H new ATOM 0 HE3 LYS A 21 13.899 -2.662 -0.844 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 15.903 -1.670 0.050 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 14.832 -2.049 1.312 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 16.188 -3.031 1.025 1.00 1.00 H new ATOM 302 N GLY A 22 10.413 -1.160 1.152 1.00 1.00 N ATOM 303 CA GLY A 22 10.675 0.253 1.353 1.00 1.00 C ATOM 304 C GLY A 22 9.406 1.063 1.541 1.00 1.00 C ATOM 305 O GLY A 22 9.447 2.177 2.063 1.00 1.00 O ATOM 0 H GLY A 22 10.056 -1.651 1.972 1.00 1.00 H new ATOM 0 HA2 GLY A 22 11.314 0.379 2.227 1.00 1.00 H new ATOM 0 HA3 GLY A 22 11.226 0.642 0.496 1.00 1.00 H new ATOM 309 N THR A 23 8.277 0.506 1.114 1.00 1.00 N ATOM 310 CA THR A 23 6.996 1.188 1.238 1.00 1.00 C ATOM 311 C THR A 23 6.318 0.844 2.559 1.00 1.00 C ATOM 312 O THR A 23 6.710 -0.099 3.246 1.00 1.00 O ATOM 313 CB THR A 23 6.079 0.817 0.073 1.00 1.00 C ATOM 314 OG1 THR A 23 6.319 -0.514 -0.353 1.00 1.00 O ATOM 315 CG2 THR A 23 6.240 1.723 -1.129 1.00 1.00 C ATOM 0 H THR A 23 8.224 -0.415 0.679 1.00 1.00 H new ATOM 0 HA THR A 23 7.185 2.261 1.216 1.00 1.00 H new ATOM 0 HB THR A 23 5.065 0.930 0.458 1.00 1.00 H new ATOM 0 HG1 THR A 23 6.534 -1.072 0.423 1.00 1.00 H new ATOM 0 HG21 THR A 23 5.560 1.404 -1.919 1.00 1.00 H new ATOM 0 HG22 THR A 23 6.009 2.750 -0.844 1.00 1.00 H new ATOM 0 HG23 THR A 23 7.267 1.669 -1.490 1.00 1.00 H new ATOM 323 N THR A 24 5.298 1.619 2.903 1.00 1.00 N ATOM 324 CA THR A 24 4.555 1.406 4.140 1.00 1.00 C ATOM 325 C THR A 24 3.067 1.675 3.932 1.00 1.00 C ATOM 326 O THR A 24 2.684 2.711 3.389 1.00 1.00 O ATOM 327 CB THR A 24 5.101 2.308 5.249 1.00 1.00 C ATOM 328 OG1 THR A 24 5.837 3.388 4.702 1.00 1.00 O ATOM 329 CG2 THR A 24 6.007 1.581 6.219 1.00 1.00 C ATOM 0 H THR A 24 4.965 2.403 2.342 1.00 1.00 H new ATOM 0 HA THR A 24 4.679 0.364 4.437 1.00 1.00 H new ATOM 0 HB THR A 24 4.224 2.662 5.790 1.00 1.00 H new ATOM 0 HG1 THR A 24 6.176 3.953 5.427 1.00 1.00 H new ATOM 0 HG21 THR A 24 6.359 2.278 6.980 1.00 1.00 H new ATOM 0 HG22 THR A 24 5.454 0.772 6.696 1.00 1.00 H new ATOM 0 HG23 THR A 24 6.861 1.169 5.681 1.00 1.00 H new ATOM 337 N CYS A 25 2.235 0.735 4.368 1.00 1.00 N ATOM 338 CA CYS A 25 0.790 0.870 4.230 1.00 1.00 C ATOM 339 C CYS A 25 0.203 1.660 5.397 1.00 1.00 C ATOM 340 O CYS A 25 0.554 1.428 6.553 1.00 1.00 O ATOM 341 CB CYS A 25 0.138 -0.512 4.152 1.00 1.00 C ATOM 342 SG CYS A 25 -0.271 -1.048 2.460 1.00 1.00 S ATOM 0 H CYS A 25 2.537 -0.128 4.820 1.00 1.00 H new ATOM 0 HA CYS A 25 0.584 1.415 3.309 1.00 1.00 H new ATOM 0 HB2 CYS A 25 0.809 -1.244 4.601 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -0.773 -0.506 4.750 1.00 1.00 H new ATOM 347 N MET A 26 -0.690 2.594 5.085 1.00 1.00 N ATOM 348 CA MET A 26 -1.322 3.417 6.108 1.00 1.00 C ATOM 349 C MET A 26 -2.737 2.931 6.402 1.00 1.00 C ATOM 350 O MET A 26 -3.521 2.678 5.486 1.00 1.00 O ATOM 351 CB MET A 26 -1.355 4.877 5.661 1.00 1.00 C ATOM 352 CG MET A 26 -1.159 5.869 6.797 1.00 1.00 C ATOM 353 SD MET A 26 0.415 5.649 7.648 1.00 1.00 S ATOM 354 CE MET A 26 -0.131 4.909 9.185 1.00 1.00 C ATOM 0 H MET A 26 -0.992 2.799 4.132 1.00 1.00 H new ATOM 0 HA MET A 26 -0.734 3.334 7.022 1.00 1.00 H new ATOM 0 HB2 MET A 26 -0.578 5.036 4.913 1.00 1.00 H new ATOM 0 HB3 MET A 26 -2.310 5.078 5.176 1.00 1.00 H new ATOM 0 HG2 MET A 26 -1.215 6.883 6.402 1.00 1.00 H new ATOM 0 HG3 MET A 26 -1.973 5.760 7.514 1.00 1.00 H new ATOM 0 HE1 MET A 26 0.132 5.562 10.017 1.00 1.00 H new ATOM 0 HE2 MET A 26 -1.212 4.772 9.159 1.00 1.00 H new ATOM 0 HE3 MET A 26 0.354 3.942 9.316 1.00 1.00 H new ATOM 364 N PHE A 27 -3.055 2.798 7.684 1.00 1.00 N ATOM 365 CA PHE A 27 -4.366 2.340 8.105 1.00 1.00 C ATOM 366 C PHE A 27 -5.409 3.439 7.959 1.00 1.00 C ATOM 367 O PHE A 27 -6.454 3.246 7.338 1.00 1.00 O ATOM 368 CB PHE A 27 -4.312 1.868 9.557 1.00 1.00 C ATOM 369 CG PHE A 27 -5.190 0.682 9.838 1.00 1.00 C ATOM 370 CD1 PHE A 27 -5.115 -0.454 9.049 1.00 1.00 C ATOM 371 CD2 PHE A 27 -6.090 0.704 10.891 1.00 1.00 C ATOM 372 CE1 PHE A 27 -5.922 -1.547 9.305 1.00 1.00 C ATOM 373 CE2 PHE A 27 -6.899 -0.385 11.153 1.00 1.00 C ATOM 374 CZ PHE A 27 -6.815 -1.513 10.358 1.00 1.00 C ATOM 0 H PHE A 27 -2.416 3.003 8.452 1.00 1.00 H new ATOM 0 HA PHE A 27 -4.655 1.509 7.461 1.00 1.00 H new ATOM 0 HB2 PHE A 27 -3.282 1.615 9.810 1.00 1.00 H new ATOM 0 HB3 PHE A 27 -4.607 2.690 10.209 1.00 1.00 H new ATOM 0 HD1 PHE A 27 -4.418 -0.486 8.224 1.00 1.00 H new ATOM 0 HD2 PHE A 27 -6.160 1.583 11.515 1.00 1.00 H new ATOM 0 HE1 PHE A 27 -5.854 -2.427 8.682 1.00 1.00 H new ATOM 0 HE2 PHE A 27 -7.596 -0.355 11.978 1.00 1.00 H new ATOM 0 HZ PHE A 27 -7.446 -2.366 10.560 1.00 1.00 H new ATOM 384 N TYR A 28 -5.115 4.587 8.546 1.00 1.00 N ATOM 385 CA TYR A 28 -6.023 5.729 8.504 1.00 1.00 C ATOM 386 C TYR A 28 -6.113 6.315 7.099 1.00 1.00 C ATOM 387 O TYR A 28 -7.191 6.701 6.647 1.00 1.00 O ATOM 388 CB TYR A 28 -5.564 6.806 9.488 1.00 1.00 C ATOM 389 CG TYR A 28 -4.213 7.396 9.153 1.00 1.00 C ATOM 390 CD1 TYR A 28 -4.087 8.396 8.197 1.00 1.00 C ATOM 391 CD2 TYR A 28 -3.063 6.953 9.795 1.00 1.00 C ATOM 392 CE1 TYR A 28 -2.854 8.938 7.889 1.00 1.00 C ATOM 393 CE2 TYR A 28 -1.826 7.490 9.492 1.00 1.00 C ATOM 394 CZ TYR A 28 -1.727 8.482 8.539 1.00 1.00 C ATOM 395 OH TYR A 28 -0.497 9.019 8.235 1.00 1.00 O ATOM 0 H TYR A 28 -4.251 4.757 9.061 1.00 1.00 H new ATOM 0 HA TYR A 28 -7.014 5.377 8.790 1.00 1.00 H new ATOM 0 HB2 TYR A 28 -6.305 7.605 9.510 1.00 1.00 H new ATOM 0 HB3 TYR A 28 -5.526 6.378 10.490 1.00 1.00 H new ATOM 0 HD1 TYR A 28 -4.968 8.756 7.686 1.00 1.00 H new ATOM 0 HD2 TYR A 28 -3.137 6.177 10.542 1.00 1.00 H new ATOM 0 HE1 TYR A 28 -2.774 9.715 7.143 1.00 1.00 H new ATOM 0 HE2 TYR A 28 -0.941 7.134 9.999 1.00 1.00 H new ATOM 0 HH TYR A 28 0.113 8.304 7.957 1.00 1.00 H new ATOM 405 N ALA A 29 -4.982 6.368 6.404 1.00 1.00 N ATOM 406 CA ALA A 29 -4.951 6.893 5.047 1.00 1.00 C ATOM 407 C ALA A 29 -5.638 5.927 4.096 1.00 1.00 C ATOM 408 O ALA A 29 -6.198 6.327 3.075 1.00 1.00 O ATOM 409 CB ALA A 29 -3.519 7.152 4.606 1.00 1.00 C ATOM 0 H ALA A 29 -4.078 6.055 6.758 1.00 1.00 H new ATOM 0 HA ALA A 29 -5.489 7.841 5.028 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -3.517 7.544 3.589 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -3.058 7.878 5.276 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -2.955 6.220 4.637 1.00 1.00 H new ATOM 415 N ASN A 30 -5.589 4.648 4.448 1.00 1.00 N ATOM 416 CA ASN A 30 -6.206 3.606 3.635 1.00 1.00 C ATOM 417 C ASN A 30 -5.607 3.585 2.231 1.00 1.00 C ATOM 418 O ASN A 30 -6.330 3.614 1.235 1.00 1.00 O ATOM 419 CB ASN A 30 -7.719 3.822 3.556 1.00 1.00 C ATOM 420 CG ASN A 30 -8.422 2.719 2.789 1.00 1.00 C ATOM 421 OD1 ASN A 30 -7.780 1.844 2.208 1.00 1.00 O ATOM 422 ND2 ASN A 30 -9.750 2.755 2.784 1.00 1.00 N ATOM 0 H ASN A 30 -5.128 4.307 5.292 1.00 1.00 H new ATOM 0 HA ASN A 30 -6.008 2.644 4.108 1.00 1.00 H new ATOM 0 HB2 ASN A 30 -8.128 3.877 4.565 1.00 1.00 H new ATOM 0 HB3 ASN A 30 -7.922 4.780 3.077 1.00 1.00 H new ATOM 0 HD21 ASN A 30 -10.278 2.039 2.285 1.00 1.00 H new ATOM 0 HD22 ASN A 30 -10.242 3.499 3.279 1.00 1.00 H new ATOM 429 N ARG A 31 -4.282 3.533 2.162 1.00 1.00 N ATOM 430 CA ARG A 31 -3.584 3.508 0.884 1.00 1.00 C ATOM 431 C ARG A 31 -2.085 3.327 1.088 1.00 1.00 C ATOM 432 O ARG A 31 -1.490 3.943 1.973 1.00 1.00 O ATOM 433 CB ARG A 31 -3.854 4.795 0.104 1.00 1.00 C ATOM 434 CG ARG A 31 -3.751 6.053 0.953 1.00 1.00 C ATOM 435 CD ARG A 31 -2.820 7.078 0.324 1.00 1.00 C ATOM 436 NE ARG A 31 -3.226 7.427 -1.035 1.00 1.00 N ATOM 437 CZ ARG A 31 -2.625 8.357 -1.773 1.00 1.00 C ATOM 438 NH1 ARG A 31 -1.592 9.034 -1.287 1.00 1.00 N ATOM 439 NH2 ARG A 31 -3.059 8.612 -3.000 1.00 1.00 N ATOM 0 H ARG A 31 -3.670 3.507 2.977 1.00 1.00 H new ATOM 0 HA ARG A 31 -3.959 2.661 0.310 1.00 1.00 H new ATOM 0 HB2 ARG A 31 -3.146 4.865 -0.722 1.00 1.00 H new ATOM 0 HB3 ARG A 31 -4.851 4.743 -0.334 1.00 1.00 H new ATOM 0 HG2 ARG A 31 -4.742 6.490 1.079 1.00 1.00 H new ATOM 0 HG3 ARG A 31 -3.388 5.793 1.947 1.00 1.00 H new ATOM 0 HD2 ARG A 31 -2.803 7.978 0.939 1.00 1.00 H new ATOM 0 HD3 ARG A 31 -1.804 6.683 0.308 1.00 1.00 H new ATOM 0 HE ARG A 31 -4.017 6.928 -1.442 1.00 1.00 H new ATOM 0 HH11 ARG A 31 -1.255 8.842 -0.343 1.00 1.00 H new ATOM 0 HH12 ARG A 31 -1.135 9.746 -1.857 1.00 1.00 H new ATOM 0 HH21 ARG A 31 -3.853 8.095 -3.378 1.00 1.00 H new ATOM 0 HH22 ARG A 31 -2.599 9.325 -3.566 1.00 1.00 H new ATOM 453 N CYS A 32 -1.479 2.478 0.266 1.00 1.00 N ATOM 454 CA CYS A 32 -0.047 2.217 0.361 1.00 1.00 C ATOM 455 C CYS A 32 0.758 3.439 -0.068 1.00 1.00 C ATOM 456 O CYS A 32 0.278 4.274 -0.835 1.00 1.00 O ATOM 457 CB CYS A 32 0.336 1.013 -0.501 1.00 1.00 C ATOM 458 SG CYS A 32 2.038 0.421 -0.232 1.00 1.00 S ATOM 0 H CYS A 32 -1.955 1.960 -0.472 1.00 1.00 H new ATOM 0 HA CYS A 32 0.186 1.996 1.403 1.00 1.00 H new ATOM 0 HB2 CYS A 32 -0.358 0.198 -0.297 1.00 1.00 H new ATOM 0 HB3 CYS A 32 0.216 1.278 -1.551 1.00 1.00 H new ATOM 463 N VAL A 33 1.986 3.534 0.430 1.00 1.00 N ATOM 464 CA VAL A 33 2.864 4.641 0.103 1.00 1.00 C ATOM 465 C VAL A 33 4.326 4.247 0.289 1.00 1.00 C ATOM 466 O VAL A 33 4.635 3.300 1.011 1.00 1.00 O ATOM 467 CB VAL A 33 2.562 5.885 0.964 1.00 1.00 C ATOM 468 CG1 VAL A 33 3.405 7.068 0.512 1.00 1.00 C ATOM 469 CG2 VAL A 33 1.081 6.229 0.911 1.00 1.00 C ATOM 0 H VAL A 33 2.394 2.849 1.066 1.00 1.00 H new ATOM 0 HA VAL A 33 2.682 4.890 -0.943 1.00 1.00 H new ATOM 0 HB VAL A 33 2.822 5.656 1.998 1.00 1.00 H new ATOM 0 HG11 VAL A 33 3.177 7.935 1.132 1.00 1.00 H new ATOM 0 HG12 VAL A 33 4.462 6.820 0.610 1.00 1.00 H new ATOM 0 HG13 VAL A 33 3.181 7.298 -0.530 1.00 1.00 H new ATOM 0 HG21 VAL A 33 0.890 7.109 1.525 1.00 1.00 H new ATOM 0 HG22 VAL A 33 0.792 6.436 -0.120 1.00 1.00 H new ATOM 0 HG23 VAL A 33 0.499 5.389 1.290 1.00 1.00 H new ATOM 479 N GLY A 34 5.221 4.979 -0.366 1.00 1.00 N ATOM 480 CA GLY A 34 6.634 4.687 -0.257 1.00 1.00 C ATOM 481 C GLY A 34 7.486 5.927 -0.170 1.00 1.00 C ATOM 482 O GLY A 34 7.055 7.026 -0.519 1.00 1.00 O ATOM 0 H GLY A 34 4.991 5.768 -0.970 1.00 1.00 H new ATOM 0 HA2 GLY A 34 6.805 4.072 0.627 1.00 1.00 H new ATOM 0 HA3 GLY A 34 6.946 4.098 -1.120 1.00 1.00 H new ATOM 486 N VAL A 35 8.703 5.733 0.302 1.00 1.00 N ATOM 487 CA VAL A 35 9.657 6.814 0.454 1.00 1.00 C ATOM 488 C VAL A 35 10.009 7.433 -0.895 1.00 1.00 C ATOM 489 O VAL A 35 10.879 6.872 -1.593 1.00 1.00 O ATOM 490 CB VAL A 35 10.942 6.315 1.132 1.00 1.00 C ATOM 491 CG1 VAL A 35 10.737 6.170 2.632 1.00 1.00 C ATOM 492 CG2 VAL A 35 11.403 5.000 0.518 1.00 1.00 C ATOM 493 OXT VAL A 35 9.412 8.474 -1.241 1.00 1.00 O ATOM 0 H VAL A 35 9.058 4.821 0.591 1.00 1.00 H new ATOM 0 HA VAL A 35 9.189 7.574 1.080 1.00 1.00 H new ATOM 0 HB VAL A 35 11.724 7.056 0.966 1.00 1.00 H new ATOM 0 HG11 VAL A 35 11.659 5.816 3.093 1.00 1.00 H new ATOM 0 HG12 VAL A 35 10.467 7.137 3.057 1.00 1.00 H new ATOM 0 HG13 VAL A 35 9.938 5.454 2.822 1.00 1.00 H new ATOM 0 HG21 VAL A 35 12.314 4.666 1.014 1.00 1.00 H new ATOM 0 HG22 VAL A 35 10.625 4.247 0.644 1.00 1.00 H new ATOM 0 HG23 VAL A 35 11.600 5.144 -0.544 1.00 1.00 H new TER 503 VAL A 35