USER MOD reduce.3.24.130724 H: found=0, std=0, add=244, rem=0, adj=10 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+ -122:sc= 0.0845 (180deg=0) USER MOD Single : A 10 SER OG : rot 160:sc= -0.22 USER MOD Single : A 11 LYS NZ :NH3+ -148:sc= -0.391 (180deg=-1.29!) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 17 LYS NZ :NH3+ -141:sc= 0.925 (180deg=-0.26) USER MOD Single : A 18 GLN : amide:sc= -0.209 X(o=-0.21,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -172:sc= -0.487 (180deg=-0.752) USER MOD Single : A 23 THR OG1 : rot -160:sc= -0.122 USER MOD Single : A 24 THR OG1 : rot -160:sc=-0.00126 USER MOD Single : A 26 MET CE :methyl -152:sc= -5.55! (180deg=-7.58!) USER MOD Single : A 28 TYR OH : rot -89:sc= 1.32 USER MOD Single : A 30 ASN :FLIP amide:sc= -3.1! F(o=-3.9,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.919 -12.824 -6.751 1.00 1.00 N ATOM 2 CA ALA A 1 5.086 -12.051 -7.252 1.00 1.00 C ATOM 3 C ALA A 1 4.978 -10.582 -6.859 1.00 1.00 C ATOM 4 O ALA A 1 4.006 -10.167 -6.228 1.00 1.00 O ATOM 5 CB ALA A 1 5.197 -12.186 -8.763 1.00 1.00 C ATOM 0 H1 ALA A 1 4.251 -13.596 -6.138 1.00 1.00 H new ATOM 0 H2 ALA A 1 3.294 -12.195 -6.208 1.00 1.00 H new ATOM 0 H3 ALA A 1 3.395 -13.222 -7.556 1.00 1.00 H new ATOM 0 HA ALA A 1 5.987 -12.459 -6.793 1.00 1.00 H new ATOM 0 HB1 ALA A 1 6.055 -11.615 -9.117 1.00 1.00 H new ATOM 0 HB2 ALA A 1 5.326 -13.236 -9.026 1.00 1.00 H new ATOM 0 HB3 ALA A 1 4.289 -11.804 -9.230 1.00 1.00 H new ATOM 13 N ASP A 2 5.984 -9.799 -7.236 1.00 1.00 N ATOM 14 CA ASP A 2 6.002 -8.375 -6.922 1.00 1.00 C ATOM 15 C ASP A 2 5.657 -7.543 -8.153 1.00 1.00 C ATOM 16 O ASP A 2 6.193 -6.452 -8.348 1.00 1.00 O ATOM 17 CB ASP A 2 7.375 -7.967 -6.386 1.00 1.00 C ATOM 18 CG ASP A 2 8.484 -8.207 -7.392 1.00 1.00 C ATOM 19 OD1 ASP A 2 8.338 -9.123 -8.228 1.00 1.00 O ATOM 20 OD2 ASP A 2 9.498 -7.479 -7.343 1.00 1.00 O ATOM 0 H ASP A 2 6.796 -10.126 -7.759 1.00 1.00 H new ATOM 0 HA ASP A 2 5.250 -8.188 -6.156 1.00 1.00 H new ATOM 0 HB2 ASP A 2 7.357 -6.912 -6.115 1.00 1.00 H new ATOM 0 HB3 ASP A 2 7.587 -8.527 -5.475 1.00 1.00 H new ATOM 25 N ASP A 3 4.757 -8.065 -8.981 1.00 1.00 N ATOM 26 CA ASP A 3 4.340 -7.370 -10.193 1.00 1.00 C ATOM 27 C ASP A 3 3.191 -6.410 -9.902 1.00 1.00 C ATOM 28 O ASP A 3 3.227 -5.245 -10.299 1.00 1.00 O ATOM 29 CB ASP A 3 3.918 -8.379 -11.262 1.00 1.00 C ATOM 30 CG ASP A 3 2.911 -9.387 -10.743 1.00 1.00 C ATOM 31 OD1 ASP A 3 1.716 -9.037 -10.648 1.00 1.00 O ATOM 32 OD2 ASP A 3 3.318 -10.525 -10.430 1.00 1.00 O ATOM 0 H ASP A 3 4.303 -8.967 -8.834 1.00 1.00 H new ATOM 0 HA ASP A 3 5.187 -6.792 -10.561 1.00 1.00 H new ATOM 0 HB2 ASP A 3 3.490 -7.846 -12.111 1.00 1.00 H new ATOM 0 HB3 ASP A 3 4.799 -8.906 -11.628 1.00 1.00 H new ATOM 37 N ASP A 4 2.173 -6.906 -9.206 1.00 1.00 N ATOM 38 CA ASP A 4 1.016 -6.106 -8.860 1.00 1.00 C ATOM 39 C ASP A 4 1.418 -4.876 -8.053 1.00 1.00 C ATOM 40 O ASP A 4 1.504 -3.770 -8.587 1.00 1.00 O ATOM 41 CB ASP A 4 0.010 -6.953 -8.077 1.00 1.00 C ATOM 42 CG ASP A 4 0.653 -8.062 -7.262 1.00 1.00 C ATOM 43 OD1 ASP A 4 1.728 -7.819 -6.674 1.00 1.00 O ATOM 44 OD2 ASP A 4 0.082 -9.171 -7.213 1.00 1.00 O ATOM 0 H ASP A 4 2.132 -7.868 -8.870 1.00 1.00 H new ATOM 0 HA ASP A 4 0.550 -5.762 -9.783 1.00 1.00 H new ATOM 0 HB2 ASP A 4 -0.556 -6.304 -7.409 1.00 1.00 H new ATOM 0 HB3 ASP A 4 -0.703 -7.393 -8.775 1.00 1.00 H new ATOM 49 N CYS A 5 1.663 -5.077 -6.766 1.00 1.00 N ATOM 50 CA CYS A 5 2.056 -3.988 -5.880 1.00 1.00 C ATOM 51 C CYS A 5 1.003 -2.887 -5.864 1.00 1.00 C ATOM 52 O CYS A 5 -0.094 -3.056 -6.397 1.00 1.00 O ATOM 53 CB CYS A 5 3.401 -3.409 -6.315 1.00 1.00 C ATOM 54 SG CYS A 5 4.699 -4.659 -6.583 1.00 1.00 S ATOM 0 H CYS A 5 1.597 -5.987 -6.310 1.00 1.00 H new ATOM 0 HA CYS A 5 2.148 -4.393 -4.872 1.00 1.00 H new ATOM 0 HB2 CYS A 5 3.260 -2.844 -7.237 1.00 1.00 H new ATOM 0 HB3 CYS A 5 3.742 -2.703 -5.558 1.00 1.00 H new ATOM 59 N LEU A 6 1.345 -1.759 -5.250 1.00 1.00 N ATOM 60 CA LEU A 6 0.429 -0.630 -5.166 1.00 1.00 C ATOM 61 C LEU A 6 1.186 0.671 -4.900 1.00 1.00 C ATOM 62 O LEU A 6 1.576 0.947 -3.765 1.00 1.00 O ATOM 63 CB LEU A 6 -0.603 -0.870 -4.063 1.00 1.00 C ATOM 64 CG LEU A 6 -1.940 -1.428 -4.550 1.00 1.00 C ATOM 65 CD1 LEU A 6 -1.969 -2.943 -4.411 1.00 1.00 C ATOM 66 CD2 LEU A 6 -3.095 -0.798 -3.784 1.00 1.00 C ATOM 0 H LEU A 6 2.249 -1.604 -4.804 1.00 1.00 H new ATOM 0 HA LEU A 6 -0.085 -0.537 -6.123 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -0.181 -1.561 -3.333 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -0.785 0.071 -3.543 1.00 1.00 H new ATOM 0 HG LEU A 6 -2.052 -1.178 -5.605 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -2.928 -3.322 -4.763 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -1.166 -3.378 -5.006 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -1.833 -3.215 -3.364 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -4.038 -1.208 -4.145 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -2.988 -1.015 -2.721 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -3.087 0.281 -3.936 1.00 1.00 H new ATOM 78 N PRO A 7 1.403 1.494 -5.942 1.00 1.00 N ATOM 79 CA PRO A 7 2.113 2.769 -5.802 1.00 1.00 C ATOM 80 C PRO A 7 1.385 3.733 -4.879 1.00 1.00 C ATOM 81 O PRO A 7 0.267 3.467 -4.438 1.00 1.00 O ATOM 82 CB PRO A 7 2.159 3.326 -7.229 1.00 1.00 C ATOM 83 CG PRO A 7 1.072 2.614 -7.960 1.00 1.00 C ATOM 84 CD PRO A 7 0.972 1.254 -7.331 1.00 1.00 C ATOM 0 HA PRO A 7 3.099 2.634 -5.359 1.00 1.00 H new ATOM 0 HB2 PRO A 7 1.998 4.404 -7.237 1.00 1.00 H new ATOM 0 HB3 PRO A 7 3.129 3.145 -7.692 1.00 1.00 H new ATOM 0 HG2 PRO A 7 0.128 3.153 -7.877 1.00 1.00 H new ATOM 0 HG3 PRO A 7 1.302 2.536 -9.023 1.00 1.00 H new ATOM 0 HD2 PRO A 7 -0.045 0.863 -7.376 1.00 1.00 H new ATOM 0 HD3 PRO A 7 1.614 0.530 -7.833 1.00 1.00 H new ATOM 92 N ARG A 8 2.035 4.848 -4.583 1.00 1.00 N ATOM 93 CA ARG A 8 1.472 5.849 -3.709 1.00 1.00 C ATOM 94 C ARG A 8 0.281 6.538 -4.364 1.00 1.00 C ATOM 95 O ARG A 8 0.398 7.649 -4.881 1.00 1.00 O ATOM 96 CB ARG A 8 2.533 6.885 -3.333 1.00 1.00 C ATOM 97 CG ARG A 8 3.694 6.304 -2.542 1.00 1.00 C ATOM 98 CD ARG A 8 4.918 6.093 -3.419 1.00 1.00 C ATOM 99 NE ARG A 8 5.020 4.715 -3.895 1.00 1.00 N ATOM 100 CZ ARG A 8 6.031 4.258 -4.630 1.00 1.00 C ATOM 101 NH1 ARG A 8 7.026 5.064 -4.977 1.00 1.00 N ATOM 102 NH2 ARG A 8 6.046 2.991 -5.020 1.00 1.00 N ATOM 0 H ARG A 8 2.961 5.078 -4.942 1.00 1.00 H new ATOM 0 HA ARG A 8 1.126 5.350 -2.804 1.00 1.00 H new ATOM 0 HB2 ARG A 8 2.918 7.346 -4.243 1.00 1.00 H new ATOM 0 HB3 ARG A 8 2.065 7.677 -2.748 1.00 1.00 H new ATOM 0 HG2 ARG A 8 3.946 6.973 -1.719 1.00 1.00 H new ATOM 0 HG3 ARG A 8 3.394 5.354 -2.099 1.00 1.00 H new ATOM 0 HD2 ARG A 8 4.873 6.769 -4.273 1.00 1.00 H new ATOM 0 HD3 ARG A 8 5.816 6.350 -2.856 1.00 1.00 H new ATOM 0 HE ARG A 8 4.273 4.066 -3.650 1.00 1.00 H new ATOM 0 HH11 ARG A 8 7.019 6.040 -4.680 1.00 1.00 H new ATOM 0 HH12 ARG A 8 7.798 4.708 -5.540 1.00 1.00 H new ATOM 0 HH21 ARG A 8 5.283 2.367 -4.757 1.00 1.00 H new ATOM 0 HH22 ARG A 8 6.820 2.640 -5.583 1.00 1.00 H new ATOM 116 N GLY A 9 -0.866 5.867 -4.338 1.00 1.00 N ATOM 117 CA GLY A 9 -2.067 6.426 -4.932 1.00 1.00 C ATOM 118 C GLY A 9 -3.318 5.662 -4.552 1.00 1.00 C ATOM 119 O GLY A 9 -4.373 6.257 -4.327 1.00 1.00 O ATOM 0 H GLY A 9 -0.985 4.946 -3.916 1.00 1.00 H new ATOM 0 HA2 GLY A 9 -2.172 7.465 -4.620 1.00 1.00 H new ATOM 0 HA3 GLY A 9 -1.963 6.428 -6.017 1.00 1.00 H new ATOM 123 N SER A 10 -3.203 4.343 -4.479 1.00 1.00 N ATOM 124 CA SER A 10 -4.334 3.495 -4.124 1.00 1.00 C ATOM 125 C SER A 10 -4.474 3.380 -2.609 1.00 1.00 C ATOM 126 O SER A 10 -3.482 3.400 -1.881 1.00 1.00 O ATOM 127 CB SER A 10 -4.170 2.105 -4.740 1.00 1.00 C ATOM 128 OG SER A 10 -5.205 1.234 -4.317 1.00 1.00 O ATOM 0 H SER A 10 -2.337 3.836 -4.661 1.00 1.00 H new ATOM 0 HA SER A 10 -5.239 3.955 -4.520 1.00 1.00 H new ATOM 0 HB2 SER A 10 -4.177 2.183 -5.827 1.00 1.00 H new ATOM 0 HB3 SER A 10 -3.203 1.690 -4.457 1.00 1.00 H new ATOM 0 HG SER A 10 -5.276 0.483 -4.942 1.00 1.00 H new ATOM 134 N LYS A 11 -5.713 3.263 -2.142 1.00 1.00 N ATOM 135 CA LYS A 11 -5.985 3.148 -0.719 1.00 1.00 C ATOM 136 C LYS A 11 -5.513 1.804 -0.178 1.00 1.00 C ATOM 137 O LYS A 11 -5.091 0.931 -0.935 1.00 1.00 O ATOM 138 CB LYS A 11 -7.481 3.324 -0.448 1.00 1.00 C ATOM 139 CG LYS A 11 -8.101 4.494 -1.193 1.00 1.00 C ATOM 140 CD LYS A 11 -9.532 4.743 -0.745 1.00 1.00 C ATOM 141 CE LYS A 11 -10.497 3.760 -1.389 1.00 1.00 C ATOM 142 NZ LYS A 11 -10.279 3.649 -2.858 1.00 1.00 N ATOM 0 H LYS A 11 -6.545 3.246 -2.732 1.00 1.00 H new ATOM 0 HA LYS A 11 -5.434 3.937 -0.207 1.00 1.00 H new ATOM 0 HB2 LYS A 11 -8.002 2.409 -0.728 1.00 1.00 H new ATOM 0 HB3 LYS A 11 -7.634 3.464 0.622 1.00 1.00 H new ATOM 0 HG2 LYS A 11 -7.505 5.391 -1.025 1.00 1.00 H new ATOM 0 HG3 LYS A 11 -8.083 4.295 -2.265 1.00 1.00 H new ATOM 0 HD2 LYS A 11 -9.595 4.658 0.340 1.00 1.00 H new ATOM 0 HD3 LYS A 11 -9.823 5.761 -1.002 1.00 1.00 H new ATOM 0 HE2 LYS A 11 -10.377 2.779 -0.929 1.00 1.00 H new ATOM 0 HE3 LYS A 11 -11.522 4.079 -1.197 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 -11.185 3.454 -3.330 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 -9.886 4.542 -3.219 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 -9.614 2.874 -3.053 1.00 1.00 H new ATOM 156 N CYS A 12 -5.585 1.648 1.139 1.00 1.00 N ATOM 157 CA CYS A 12 -5.163 0.411 1.786 1.00 1.00 C ATOM 158 C CYS A 12 -5.931 0.183 3.085 1.00 1.00 C ATOM 159 O CYS A 12 -5.367 -0.272 4.080 1.00 1.00 O ATOM 160 CB CYS A 12 -3.658 0.450 2.064 1.00 1.00 C ATOM 161 SG CYS A 12 -2.738 -0.963 1.374 1.00 1.00 S ATOM 0 H CYS A 12 -5.931 2.362 1.779 1.00 1.00 H new ATOM 0 HA CYS A 12 -5.381 -0.418 1.112 1.00 1.00 H new ATOM 0 HB2 CYS A 12 -3.247 1.373 1.654 1.00 1.00 H new ATOM 0 HB3 CYS A 12 -3.499 0.482 3.142 1.00 1.00 H new ATOM 166 N LEU A 13 -7.223 0.499 3.070 1.00 1.00 N ATOM 167 CA LEU A 13 -8.063 0.324 4.248 1.00 1.00 C ATOM 168 C LEU A 13 -8.287 -1.159 4.535 1.00 1.00 C ATOM 169 O LEU A 13 -7.619 -1.741 5.389 1.00 1.00 O ATOM 170 CB LEU A 13 -9.405 1.037 4.057 1.00 1.00 C ATOM 171 CG LEU A 13 -10.419 0.824 5.181 1.00 1.00 C ATOM 172 CD1 LEU A 13 -9.903 1.413 6.485 1.00 1.00 C ATOM 173 CD2 LEU A 13 -11.761 1.438 4.811 1.00 1.00 C ATOM 0 H LEU A 13 -7.709 0.877 2.257 1.00 1.00 H new ATOM 0 HA LEU A 13 -7.551 0.766 5.103 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -9.219 2.106 3.954 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -9.848 0.699 3.120 1.00 1.00 H new ATOM 0 HG LEU A 13 -10.558 -0.248 5.321 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -10.638 1.252 7.273 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -8.966 0.928 6.758 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -9.734 2.483 6.360 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -12.471 1.277 5.622 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -11.638 2.508 4.644 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -12.137 0.969 3.902 1.00 1.00 H new ATOM 185 N GLY A 14 -9.226 -1.766 3.816 1.00 1.00 N ATOM 186 CA GLY A 14 -9.512 -3.172 4.008 1.00 1.00 C ATOM 187 C GLY A 14 -8.657 -4.062 3.128 1.00 1.00 C ATOM 188 O GLY A 14 -8.526 -5.259 3.384 1.00 1.00 O ATOM 0 H GLY A 14 -9.793 -1.307 3.104 1.00 1.00 H new ATOM 0 HA2 GLY A 14 -9.348 -3.434 5.053 1.00 1.00 H new ATOM 0 HA3 GLY A 14 -10.565 -3.358 3.794 1.00 1.00 H new ATOM 192 N GLU A 15 -8.079 -3.474 2.086 1.00 1.00 N ATOM 193 CA GLU A 15 -7.235 -4.203 1.151 1.00 1.00 C ATOM 194 C GLU A 15 -6.261 -5.135 1.859 1.00 1.00 C ATOM 195 O GLU A 15 -5.510 -4.718 2.741 1.00 1.00 O ATOM 196 CB GLU A 15 -6.460 -3.219 0.276 1.00 1.00 C ATOM 197 CG GLU A 15 -6.914 -3.229 -1.167 1.00 1.00 C ATOM 198 CD GLU A 15 -5.807 -3.611 -2.131 1.00 1.00 C ATOM 199 OE1 GLU A 15 -4.684 -3.084 -1.983 1.00 1.00 O ATOM 200 OE2 GLU A 15 -6.063 -4.436 -3.033 1.00 1.00 O ATOM 0 H GLU A 15 -8.183 -2.483 1.868 1.00 1.00 H new ATOM 0 HA GLU A 15 -7.890 -4.818 0.534 1.00 1.00 H new ATOM 0 HB2 GLU A 15 -6.574 -2.213 0.680 1.00 1.00 H new ATOM 0 HB3 GLU A 15 -5.398 -3.461 0.319 1.00 1.00 H new ATOM 0 HG2 GLU A 15 -7.742 -3.929 -1.277 1.00 1.00 H new ATOM 0 HG3 GLU A 15 -7.294 -2.242 -1.430 1.00 1.00 H new ATOM 207 N ASN A 16 -6.266 -6.394 1.443 1.00 1.00 N ATOM 208 CA ASN A 16 -5.372 -7.388 2.008 1.00 1.00 C ATOM 209 C ASN A 16 -4.118 -7.525 1.147 1.00 1.00 C ATOM 210 O ASN A 16 -3.191 -8.255 1.497 1.00 1.00 O ATOM 211 CB ASN A 16 -6.080 -8.739 2.125 1.00 1.00 C ATOM 212 CG ASN A 16 -7.394 -8.641 2.874 1.00 1.00 C ATOM 213 OD1 ASN A 16 -7.521 -7.878 3.831 1.00 1.00 O ATOM 214 ND2 ASN A 16 -8.381 -9.416 2.441 1.00 1.00 N ATOM 0 H ASN A 16 -6.883 -6.750 0.713 1.00 1.00 H new ATOM 0 HA ASN A 16 -5.079 -7.060 3.005 1.00 1.00 H new ATOM 0 HB2 ASN A 16 -6.263 -9.138 1.127 1.00 1.00 H new ATOM 0 HB3 ASN A 16 -5.426 -9.446 2.636 1.00 1.00 H new ATOM 0 HD21 ASN A 16 -9.289 -9.393 2.906 1.00 1.00 H new ATOM 0 HD22 ASN A 16 -8.232 -10.034 1.643 1.00 1.00 H new ATOM 221 N LYS A 17 -4.096 -6.814 0.018 1.00 1.00 N ATOM 222 CA LYS A 17 -2.956 -6.857 -0.889 1.00 1.00 C ATOM 223 C LYS A 17 -1.747 -6.158 -0.278 1.00 1.00 C ATOM 224 O LYS A 17 -1.874 -5.404 0.687 1.00 1.00 O ATOM 225 CB LYS A 17 -3.316 -6.203 -2.225 1.00 1.00 C ATOM 226 CG LYS A 17 -4.162 -7.087 -3.126 1.00 1.00 C ATOM 227 CD LYS A 17 -3.834 -6.863 -4.593 1.00 1.00 C ATOM 228 CE LYS A 17 -4.200 -5.456 -5.037 1.00 1.00 C ATOM 229 NZ LYS A 17 -5.601 -5.377 -5.535 1.00 1.00 N ATOM 0 H LYS A 17 -4.855 -6.204 -0.286 1.00 1.00 H new ATOM 0 HA LYS A 17 -2.700 -7.902 -1.061 1.00 1.00 H new ATOM 0 HB2 LYS A 17 -3.854 -5.275 -2.032 1.00 1.00 H new ATOM 0 HB3 LYS A 17 -2.398 -5.937 -2.749 1.00 1.00 H new ATOM 0 HG2 LYS A 17 -3.996 -8.134 -2.871 1.00 1.00 H new ATOM 0 HG3 LYS A 17 -5.218 -6.880 -2.953 1.00 1.00 H new ATOM 0 HD2 LYS A 17 -2.770 -7.033 -4.759 1.00 1.00 H new ATOM 0 HD3 LYS A 17 -4.372 -7.589 -5.202 1.00 1.00 H new ATOM 0 HE2 LYS A 17 -4.072 -4.767 -4.202 1.00 1.00 H new ATOM 0 HE3 LYS A 17 -3.517 -5.134 -5.823 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 -5.641 -4.744 -6.359 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 -5.925 -6.326 -5.811 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 -6.216 -5.006 -4.783 1.00 1.00 H new ATOM 243 N GLN A 18 -0.574 -6.412 -0.848 1.00 1.00 N ATOM 244 CA GLN A 18 0.661 -5.806 -0.363 1.00 1.00 C ATOM 245 C GLN A 18 1.357 -5.027 -1.473 1.00 1.00 C ATOM 246 O GLN A 18 1.421 -5.479 -2.617 1.00 1.00 O ATOM 247 CB GLN A 18 1.599 -6.882 0.187 1.00 1.00 C ATOM 248 CG GLN A 18 2.511 -6.386 1.296 1.00 1.00 C ATOM 249 CD GLN A 18 2.022 -6.784 2.675 1.00 1.00 C ATOM 250 OE1 GLN A 18 2.808 -7.183 3.534 1.00 1.00 O ATOM 251 NE2 GLN A 18 0.716 -6.677 2.893 1.00 1.00 N ATOM 0 H GLN A 18 -0.452 -7.034 -1.647 1.00 1.00 H new ATOM 0 HA GLN A 18 0.406 -5.112 0.438 1.00 1.00 H new ATOM 0 HB2 GLN A 18 1.003 -7.714 0.563 1.00 1.00 H new ATOM 0 HB3 GLN A 18 2.210 -7.270 -0.628 1.00 1.00 H new ATOM 0 HG2 GLN A 18 3.514 -6.784 1.142 1.00 1.00 H new ATOM 0 HG3 GLN A 18 2.587 -5.300 1.241 1.00 1.00 H new ATOM 0 HE21 GLN A 18 0.101 -6.341 2.152 1.00 1.00 H new ATOM 0 HE22 GLN A 18 0.328 -6.930 3.802 1.00 1.00 H new ATOM 260 N CYS A 19 1.877 -3.853 -1.130 1.00 1.00 N ATOM 261 CA CYS A 19 2.569 -3.011 -2.100 1.00 1.00 C ATOM 262 C CYS A 19 3.902 -3.632 -2.506 1.00 1.00 C ATOM 263 O CYS A 19 4.266 -4.708 -2.030 1.00 1.00 O ATOM 264 CB CYS A 19 2.798 -1.613 -1.522 1.00 1.00 C ATOM 265 SG CYS A 19 1.274 -0.634 -1.320 1.00 1.00 S ATOM 0 H CYS A 19 1.833 -3.463 -0.189 1.00 1.00 H new ATOM 0 HA CYS A 19 1.941 -2.930 -2.987 1.00 1.00 H new ATOM 0 HB2 CYS A 19 3.288 -1.708 -0.553 1.00 1.00 H new ATOM 0 HB3 CYS A 19 3.483 -1.070 -2.173 1.00 1.00 H new ATOM 270 N CYS A 20 4.624 -2.950 -3.388 1.00 1.00 N ATOM 271 CA CYS A 20 5.916 -3.438 -3.858 1.00 1.00 C ATOM 272 C CYS A 20 6.962 -3.366 -2.750 1.00 1.00 C ATOM 273 O CYS A 20 6.695 -2.860 -1.660 1.00 1.00 O ATOM 274 CB CYS A 20 6.381 -2.629 -5.072 1.00 1.00 C ATOM 275 SG CYS A 20 6.415 -3.575 -6.629 1.00 1.00 S ATOM 0 H CYS A 20 4.337 -2.058 -3.792 1.00 1.00 H new ATOM 0 HA CYS A 20 5.797 -4.481 -4.151 1.00 1.00 H new ATOM 0 HB2 CYS A 20 5.722 -1.769 -5.196 1.00 1.00 H new ATOM 0 HB3 CYS A 20 7.380 -2.239 -4.874 1.00 1.00 H new ATOM 280 N LYS A 21 8.152 -3.880 -3.039 1.00 1.00 N ATOM 281 CA LYS A 21 9.240 -3.882 -2.074 1.00 1.00 C ATOM 282 C LYS A 21 9.789 -2.475 -1.861 1.00 1.00 C ATOM 283 O LYS A 21 10.258 -1.832 -2.800 1.00 1.00 O ATOM 284 CB LYS A 21 10.361 -4.813 -2.541 1.00 1.00 C ATOM 285 CG LYS A 21 11.066 -5.534 -1.404 1.00 1.00 C ATOM 286 CD LYS A 21 12.503 -5.872 -1.765 1.00 1.00 C ATOM 287 CE LYS A 21 13.472 -4.830 -1.231 1.00 1.00 C ATOM 288 NZ LYS A 21 13.003 -3.443 -1.503 1.00 1.00 N ATOM 0 H LYS A 21 8.386 -4.302 -3.938 1.00 1.00 H new ATOM 0 HA LYS A 21 8.846 -4.243 -1.124 1.00 1.00 H new ATOM 0 HB2 LYS A 21 9.946 -5.552 -3.227 1.00 1.00 H new ATOM 0 HB3 LYS A 21 11.094 -4.233 -3.102 1.00 1.00 H new ATOM 0 HG2 LYS A 21 11.051 -4.909 -0.511 1.00 1.00 H new ATOM 0 HG3 LYS A 21 10.526 -6.449 -1.162 1.00 1.00 H new ATOM 0 HD2 LYS A 21 12.760 -6.851 -1.360 1.00 1.00 H new ATOM 0 HD3 LYS A 21 12.601 -5.940 -2.849 1.00 1.00 H new ATOM 0 HE2 LYS A 21 13.596 -4.967 -0.157 1.00 1.00 H new ATOM 0 HE3 LYS A 21 14.451 -4.978 -1.687 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 13.751 -2.767 -1.246 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 12.779 -3.344 -2.514 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 12.151 -3.248 -0.939 1.00 1.00 H new ATOM 302 N GLY A 22 9.729 -2.004 -0.619 1.00 1.00 N ATOM 303 CA GLY A 22 10.225 -0.676 -0.305 1.00 1.00 C ATOM 304 C GLY A 22 9.126 0.264 0.151 1.00 1.00 C ATOM 305 O GLY A 22 9.391 1.254 0.832 1.00 1.00 O ATOM 0 H GLY A 22 9.346 -2.518 0.175 1.00 1.00 H new ATOM 0 HA2 GLY A 22 10.982 -0.750 0.476 1.00 1.00 H new ATOM 0 HA3 GLY A 22 10.714 -0.258 -1.185 1.00 1.00 H new ATOM 309 N THR A 23 7.890 -0.044 -0.229 1.00 1.00 N ATOM 310 CA THR A 23 6.751 0.782 0.142 1.00 1.00 C ATOM 311 C THR A 23 6.046 0.224 1.372 1.00 1.00 C ATOM 312 O THR A 23 6.284 -0.913 1.779 1.00 1.00 O ATOM 313 CB THR A 23 5.765 0.882 -1.021 1.00 1.00 C ATOM 314 OG1 THR A 23 5.794 -0.297 -1.806 1.00 1.00 O ATOM 315 CG2 THR A 23 6.040 2.054 -1.939 1.00 1.00 C ATOM 0 H THR A 23 7.654 -0.860 -0.794 1.00 1.00 H new ATOM 0 HA THR A 23 7.124 1.778 0.381 1.00 1.00 H new ATOM 0 HB THR A 23 4.787 1.024 -0.560 1.00 1.00 H new ATOM 0 HG1 THR A 23 5.420 -0.109 -2.692 1.00 1.00 H new ATOM 0 HG21 THR A 23 5.304 2.067 -2.743 1.00 1.00 H new ATOM 0 HG22 THR A 23 5.975 2.983 -1.373 1.00 1.00 H new ATOM 0 HG23 THR A 23 7.039 1.957 -2.363 1.00 1.00 H new ATOM 323 N THR A 24 5.177 1.038 1.957 1.00 1.00 N ATOM 324 CA THR A 24 4.429 0.639 3.143 1.00 1.00 C ATOM 325 C THR A 24 2.989 1.137 3.069 1.00 1.00 C ATOM 326 O THR A 24 2.731 2.257 2.627 1.00 1.00 O ATOM 327 CB THR A 24 5.104 1.180 4.404 1.00 1.00 C ATOM 328 OG1 THR A 24 6.494 1.355 4.193 1.00 1.00 O ATOM 329 CG2 THR A 24 4.932 0.280 5.608 1.00 1.00 C ATOM 0 H THR A 24 4.972 1.982 1.629 1.00 1.00 H new ATOM 0 HA THR A 24 4.417 -0.450 3.186 1.00 1.00 H new ATOM 0 HB THR A 24 4.613 2.131 4.609 1.00 1.00 H new ATOM 0 HG1 THR A 24 6.954 1.389 5.057 1.00 1.00 H new ATOM 0 HG21 THR A 24 5.435 0.723 6.468 1.00 1.00 H new ATOM 0 HG22 THR A 24 3.871 0.165 5.828 1.00 1.00 H new ATOM 0 HG23 THR A 24 5.367 -0.697 5.397 1.00 1.00 H new ATOM 337 N CYS A 25 2.056 0.297 3.503 1.00 1.00 N ATOM 338 CA CYS A 25 0.641 0.651 3.484 1.00 1.00 C ATOM 339 C CYS A 25 0.161 1.052 4.876 1.00 1.00 C ATOM 340 O CYS A 25 0.426 0.359 5.858 1.00 1.00 O ATOM 341 CB CYS A 25 -0.191 -0.523 2.962 1.00 1.00 C ATOM 342 SG CYS A 25 -0.826 -0.289 1.270 1.00 1.00 S ATOM 0 H CYS A 25 2.253 -0.633 3.872 1.00 1.00 H new ATOM 0 HA CYS A 25 0.513 1.504 2.817 1.00 1.00 H new ATOM 0 HB2 CYS A 25 0.418 -1.427 2.988 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -1.033 -0.686 3.635 1.00 1.00 H new ATOM 347 N MET A 26 -0.548 2.174 4.952 1.00 1.00 N ATOM 348 CA MET A 26 -1.065 2.664 6.224 1.00 1.00 C ATOM 349 C MET A 26 -2.513 2.225 6.430 1.00 1.00 C ATOM 350 O MET A 26 -3.338 2.327 5.523 1.00 1.00 O ATOM 351 CB MET A 26 -0.968 4.188 6.284 1.00 1.00 C ATOM 352 CG MET A 26 -0.655 4.723 7.673 1.00 1.00 C ATOM 353 SD MET A 26 0.704 5.909 7.675 1.00 1.00 S ATOM 354 CE MET A 26 0.160 7.054 6.410 1.00 1.00 C ATOM 0 H MET A 26 -0.777 2.760 4.149 1.00 1.00 H new ATOM 0 HA MET A 26 -0.459 2.237 7.023 1.00 1.00 H new ATOM 0 HB2 MET A 26 -0.195 4.522 5.592 1.00 1.00 H new ATOM 0 HB3 MET A 26 -1.909 4.618 5.942 1.00 1.00 H new ATOM 0 HG2 MET A 26 -1.546 5.198 8.084 1.00 1.00 H new ATOM 0 HG3 MET A 26 -0.405 3.890 8.330 1.00 1.00 H new ATOM 0 HE1 MET A 26 1.028 7.520 5.944 1.00 1.00 H new ATOM 0 HE2 MET A 26 -0.413 6.516 5.655 1.00 1.00 H new ATOM 0 HE3 MET A 26 -0.467 7.823 6.861 1.00 1.00 H new ATOM 364 N PHE A 27 -2.809 1.729 7.627 1.00 1.00 N ATOM 365 CA PHE A 27 -4.147 1.265 7.956 1.00 1.00 C ATOM 366 C PHE A 27 -5.114 2.428 8.130 1.00 1.00 C ATOM 367 O PHE A 27 -6.151 2.496 7.470 1.00 1.00 O ATOM 368 CB PHE A 27 -4.112 0.425 9.233 1.00 1.00 C ATOM 369 CG PHE A 27 -5.099 -0.707 9.236 1.00 1.00 C ATOM 370 CD1 PHE A 27 -6.457 -0.460 9.109 1.00 1.00 C ATOM 371 CD2 PHE A 27 -4.669 -2.018 9.366 1.00 1.00 C ATOM 372 CE1 PHE A 27 -7.367 -1.499 9.112 1.00 1.00 C ATOM 373 CE2 PHE A 27 -5.575 -3.061 9.370 1.00 1.00 C ATOM 374 CZ PHE A 27 -6.926 -2.802 9.242 1.00 1.00 C ATOM 0 H PHE A 27 -2.135 1.639 8.387 1.00 1.00 H new ATOM 0 HA PHE A 27 -4.500 0.653 7.126 1.00 1.00 H new ATOM 0 HB2 PHE A 27 -3.108 0.021 9.365 1.00 1.00 H new ATOM 0 HB3 PHE A 27 -4.310 1.071 10.088 1.00 1.00 H new ATOM 0 HD1 PHE A 27 -6.807 0.556 9.007 1.00 1.00 H new ATOM 0 HD2 PHE A 27 -3.614 -2.227 9.465 1.00 1.00 H new ATOM 0 HE1 PHE A 27 -8.423 -1.293 9.013 1.00 1.00 H new ATOM 0 HE2 PHE A 27 -5.227 -4.078 9.473 1.00 1.00 H new ATOM 0 HZ PHE A 27 -7.636 -3.616 9.244 1.00 1.00 H new ATOM 384 N TYR A 28 -4.768 3.331 9.031 1.00 1.00 N ATOM 385 CA TYR A 28 -5.602 4.495 9.316 1.00 1.00 C ATOM 386 C TYR A 28 -5.599 5.476 8.147 1.00 1.00 C ATOM 387 O TYR A 28 -6.648 5.987 7.752 1.00 1.00 O ATOM 388 CB TYR A 28 -5.116 5.197 10.585 1.00 1.00 C ATOM 389 CG TYR A 28 -3.725 5.777 10.465 1.00 1.00 C ATOM 390 CD1 TYR A 28 -3.528 7.062 9.976 1.00 1.00 C ATOM 391 CD2 TYR A 28 -2.609 5.039 10.841 1.00 1.00 C ATOM 392 CE1 TYR A 28 -2.258 7.596 9.865 1.00 1.00 C ATOM 393 CE2 TYR A 28 -1.336 5.566 10.734 1.00 1.00 C ATOM 394 CZ TYR A 28 -1.166 6.844 10.245 1.00 1.00 C ATOM 395 OH TYR A 28 0.100 7.372 10.136 1.00 1.00 O ATOM 0 H TYR A 28 -3.911 3.283 9.583 1.00 1.00 H new ATOM 0 HA TYR A 28 -6.623 4.146 9.467 1.00 1.00 H new ATOM 0 HB2 TYR A 28 -5.813 5.997 10.837 1.00 1.00 H new ATOM 0 HB3 TYR A 28 -5.134 4.487 11.412 1.00 1.00 H new ATOM 0 HD1 TYR A 28 -4.381 7.653 9.678 1.00 1.00 H new ATOM 0 HD2 TYR A 28 -2.739 4.037 11.223 1.00 1.00 H new ATOM 0 HE1 TYR A 28 -2.121 8.597 9.483 1.00 1.00 H new ATOM 0 HE2 TYR A 28 -0.479 4.980 11.032 1.00 1.00 H new ATOM 0 HH TYR A 28 0.464 7.168 9.250 1.00 1.00 H new ATOM 405 N ALA A 29 -4.421 5.725 7.589 1.00 1.00 N ATOM 406 CA ALA A 29 -4.290 6.631 6.456 1.00 1.00 C ATOM 407 C ALA A 29 -4.882 6.001 5.205 1.00 1.00 C ATOM 408 O ALA A 29 -5.202 6.690 4.237 1.00 1.00 O ATOM 409 CB ALA A 29 -2.830 6.998 6.231 1.00 1.00 C ATOM 0 H ALA A 29 -3.543 5.312 7.903 1.00 1.00 H new ATOM 0 HA ALA A 29 -4.841 7.545 6.677 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -2.752 7.675 5.381 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -2.436 7.487 7.122 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -2.255 6.094 6.029 1.00 1.00 H new ATOM 415 N ASN A 30 -5.026 4.678 5.245 1.00 1.00 N ATOM 416 CA ASN A 30 -5.581 3.918 4.134 1.00 1.00 C ATOM 417 C ASN A 30 -5.046 4.421 2.794 1.00 1.00 C ATOM 418 O ASN A 30 -5.786 4.974 1.980 1.00 1.00 O ATOM 419 CB ASN A 30 -7.110 3.973 4.159 1.00 1.00 C ATOM 420 CG ASN A 30 -7.661 4.935 5.197 1.00 1.00 C ATOM 421 OD1 ASN A 30 -8.191 4.389 6.285 1.00 1.00 O flip ATOM 422 ND2 ASN A 30 -7.611 6.152 5.022 1.00 1.00 N flip ATOM 0 H ASN A 30 -4.761 4.107 6.047 1.00 1.00 H new ATOM 0 HA ASN A 30 -5.268 2.880 4.248 1.00 1.00 H new ATOM 0 HB2 ASN A 30 -7.472 4.267 3.174 1.00 1.00 H new ATOM 0 HB3 ASN A 30 -7.499 2.974 4.357 1.00 1.00 H new ATOM 0 HD21 ASN A 30 -7.194 6.528 4.170 1.00 1.00 H new ATOM 0 HD22 ASN A 30 -7.986 6.785 5.729 1.00 1.00 H new ATOM 429 N ARG A 31 -3.751 4.222 2.577 1.00 1.00 N ATOM 430 CA ARG A 31 -3.100 4.648 1.344 1.00 1.00 C ATOM 431 C ARG A 31 -1.621 4.280 1.370 1.00 1.00 C ATOM 432 O ARG A 31 -0.896 4.652 2.292 1.00 1.00 O ATOM 433 CB ARG A 31 -3.264 6.158 1.149 1.00 1.00 C ATOM 434 CG ARG A 31 -4.046 6.528 -0.102 1.00 1.00 C ATOM 435 CD ARG A 31 -5.428 7.064 0.239 1.00 1.00 C ATOM 436 NE ARG A 31 -5.828 8.152 -0.650 1.00 1.00 N ATOM 437 CZ ARG A 31 -6.148 7.982 -1.931 1.00 1.00 C ATOM 438 NH1 ARG A 31 -6.116 6.773 -2.476 1.00 1.00 N ATOM 439 NH2 ARG A 31 -6.502 9.026 -2.669 1.00 1.00 N ATOM 0 H ARG A 31 -3.128 3.766 3.243 1.00 1.00 H new ATOM 0 HA ARG A 31 -3.574 4.134 0.508 1.00 1.00 H new ATOM 0 HB2 ARG A 31 -3.769 6.576 2.020 1.00 1.00 H new ATOM 0 HB3 ARG A 31 -2.278 6.619 1.101 1.00 1.00 H new ATOM 0 HG2 ARG A 31 -3.494 7.278 -0.668 1.00 1.00 H new ATOM 0 HG3 ARG A 31 -4.143 5.652 -0.743 1.00 1.00 H new ATOM 0 HD2 ARG A 31 -6.157 6.256 0.173 1.00 1.00 H new ATOM 0 HD3 ARG A 31 -5.436 7.417 1.270 1.00 1.00 H new ATOM 0 HE ARG A 31 -5.864 9.097 -0.267 1.00 1.00 H new ATOM 0 HH11 ARG A 31 -5.845 5.967 -1.913 1.00 1.00 H new ATOM 0 HH12 ARG A 31 -6.362 6.650 -3.458 1.00 1.00 H new ATOM 0 HH21 ARG A 31 -6.529 9.958 -2.255 1.00 1.00 H new ATOM 0 HH22 ARG A 31 -6.747 8.897 -3.651 1.00 1.00 H new ATOM 453 N CYS A 32 -1.178 3.543 0.357 1.00 1.00 N ATOM 454 CA CYS A 32 0.217 3.126 0.276 1.00 1.00 C ATOM 455 C CYS A 32 1.147 4.333 0.253 1.00 1.00 C ATOM 456 O CYS A 32 0.780 5.405 -0.228 1.00 1.00 O ATOM 457 CB CYS A 32 0.450 2.267 -0.968 1.00 1.00 C ATOM 458 SG CYS A 32 1.947 1.231 -0.882 1.00 1.00 S ATOM 0 H CYS A 32 -1.762 3.223 -0.416 1.00 1.00 H new ATOM 0 HA CYS A 32 0.440 2.533 1.163 1.00 1.00 H new ATOM 0 HB2 CYS A 32 -0.417 1.624 -1.121 1.00 1.00 H new ATOM 0 HB3 CYS A 32 0.521 2.918 -1.839 1.00 1.00 H new ATOM 463 N VAL A 33 2.352 4.150 0.778 1.00 1.00 N ATOM 464 CA VAL A 33 3.337 5.215 0.822 1.00 1.00 C ATOM 465 C VAL A 33 4.724 4.674 1.159 1.00 1.00 C ATOM 466 O VAL A 33 4.856 3.598 1.741 1.00 1.00 O ATOM 467 CB VAL A 33 2.945 6.294 1.848 1.00 1.00 C ATOM 468 CG1 VAL A 33 3.001 5.741 3.265 1.00 1.00 C ATOM 469 CG2 VAL A 33 3.838 7.517 1.707 1.00 1.00 C ATOM 0 H VAL A 33 2.669 3.268 1.180 1.00 1.00 H new ATOM 0 HA VAL A 33 3.366 5.664 -0.171 1.00 1.00 H new ATOM 0 HB VAL A 33 1.918 6.598 1.647 1.00 1.00 H new ATOM 0 HG11 VAL A 33 2.720 6.522 3.972 1.00 1.00 H new ATOM 0 HG12 VAL A 33 2.310 4.903 3.356 1.00 1.00 H new ATOM 0 HG13 VAL A 33 4.013 5.401 3.483 1.00 1.00 H new ATOM 0 HG21 VAL A 33 3.545 8.268 2.441 1.00 1.00 H new ATOM 0 HG22 VAL A 33 4.876 7.231 1.875 1.00 1.00 H new ATOM 0 HG23 VAL A 33 3.734 7.930 0.704 1.00 1.00 H new ATOM 479 N GLY A 34 5.753 5.429 0.789 1.00 1.00 N ATOM 480 CA GLY A 34 7.115 5.009 1.060 1.00 1.00 C ATOM 481 C GLY A 34 7.384 4.806 2.530 1.00 1.00 C ATOM 482 O GLY A 34 6.644 5.287 3.387 1.00 1.00 O ATOM 0 H GLY A 34 5.668 6.324 0.307 1.00 1.00 H new ATOM 0 HA2 GLY A 34 7.316 4.080 0.527 1.00 1.00 H new ATOM 0 HA3 GLY A 34 7.805 5.757 0.669 1.00 1.00 H new ATOM 486 N VAL A 35 8.454 4.085 2.808 1.00 1.00 N ATOM 487 CA VAL A 35 8.855 3.795 4.179 1.00 1.00 C ATOM 488 C VAL A 35 9.309 5.062 4.898 1.00 1.00 C ATOM 489 O VAL A 35 8.945 5.233 6.080 1.00 1.00 O ATOM 490 CB VAL A 35 9.990 2.752 4.223 1.00 1.00 C ATOM 491 CG1 VAL A 35 11.227 3.273 3.506 1.00 1.00 C ATOM 492 CG2 VAL A 35 10.317 2.375 5.660 1.00 1.00 C ATOM 493 OXT VAL A 35 10.025 5.872 4.272 1.00 1.00 O ATOM 0 H VAL A 35 9.068 3.685 2.099 1.00 1.00 H new ATOM 0 HA VAL A 35 7.981 3.388 4.687 1.00 1.00 H new ATOM 0 HB VAL A 35 9.650 1.855 3.705 1.00 1.00 H new ATOM 0 HG11 VAL A 35 12.016 2.522 3.549 1.00 1.00 H new ATOM 0 HG12 VAL A 35 10.982 3.484 2.465 1.00 1.00 H new ATOM 0 HG13 VAL A 35 11.570 4.187 3.990 1.00 1.00 H new ATOM 0 HG21 VAL A 35 11.120 1.638 5.669 1.00 1.00 H new ATOM 0 HG22 VAL A 35 10.634 3.264 6.206 1.00 1.00 H new ATOM 0 HG23 VAL A 35 9.432 1.953 6.136 1.00 1.00 H new TER 503 VAL A 35