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+ -109:sc= 0.0836 (180deg=0) USER MOD Single : A 10 SER OG : rot 170:sc= -0.0482 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 17 LYS NZ :NH3+ 162:sc= -0.0328 (180deg=-0.257) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -162:sc=-0.00184 (180deg=-0.118) USER MOD Single : A 23 THR OG1 : rot 43:sc= 0.0376 USER MOD Single : A 24 THR OG1 : rot 57:sc= 1.13 USER MOD Single : A 26 MET CE :methyl -125:sc= -4.62! (180deg=-11.8!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -6.08! C(o=-6.1!,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.489 -11.317 -11.245 1.00 1.00 N ATOM 2 CA ALA A 1 1.230 -12.099 -10.221 1.00 1.00 C ATOM 3 C ALA A 1 0.763 -11.742 -8.815 1.00 1.00 C ATOM 4 O ALA A 1 0.041 -10.764 -8.620 1.00 1.00 O ATOM 5 CB ALA A 1 2.726 -11.859 -10.357 1.00 1.00 C ATOM 0 H1 ALA A 1 -0.161 -11.946 -11.759 1.00 1.00 H new ATOM 0 H2 ALA A 1 -0.055 -10.563 -10.779 1.00 1.00 H new ATOM 0 H3 ALA A 1 1.164 -10.894 -11.914 1.00 1.00 H new ATOM 0 HA ALA A 1 1.024 -13.156 -10.387 1.00 1.00 H new ATOM 0 HB1 ALA A 1 3.257 -12.437 -9.601 1.00 1.00 H new ATOM 0 HB2 ALA A 1 3.055 -12.168 -11.349 1.00 1.00 H new ATOM 0 HB3 ALA A 1 2.939 -10.799 -10.218 1.00 1.00 H new ATOM 13 N ASP A 2 1.180 -12.540 -7.838 1.00 1.00 N ATOM 14 CA ASP A 2 0.804 -12.308 -6.448 1.00 1.00 C ATOM 15 C ASP A 2 1.914 -11.579 -5.698 1.00 1.00 C ATOM 16 O ASP A 2 2.144 -11.827 -4.514 1.00 1.00 O ATOM 17 CB ASP A 2 0.489 -13.634 -5.754 1.00 1.00 C ATOM 18 CG ASP A 2 -0.656 -13.514 -4.768 1.00 1.00 C ATOM 19 OD1 ASP A 2 -0.652 -12.555 -3.967 1.00 1.00 O ATOM 20 OD2 ASP A 2 -1.557 -14.378 -4.796 1.00 1.00 O ATOM 0 H ASP A 2 1.778 -13.353 -7.983 1.00 1.00 H new ATOM 0 HA ASP A 2 -0.088 -11.681 -6.439 1.00 1.00 H new ATOM 0 HB2 ASP A 2 0.241 -14.384 -6.505 1.00 1.00 H new ATOM 0 HB3 ASP A 2 1.378 -13.988 -5.232 1.00 1.00 H new ATOM 25 N ASP A 3 2.601 -10.680 -6.395 1.00 1.00 N ATOM 26 CA ASP A 3 3.688 -9.916 -5.795 1.00 1.00 C ATOM 27 C ASP A 3 3.796 -8.533 -6.431 1.00 1.00 C ATOM 28 O ASP A 3 4.893 -8.000 -6.597 1.00 1.00 O ATOM 29 CB ASP A 3 5.013 -10.665 -5.949 1.00 1.00 C ATOM 30 CG ASP A 3 5.913 -10.502 -4.740 1.00 1.00 C ATOM 31 OD1 ASP A 3 5.455 -10.790 -3.615 1.00 1.00 O ATOM 32 OD2 ASP A 3 7.077 -10.085 -4.919 1.00 1.00 O ATOM 0 H ASP A 3 2.424 -10.463 -7.376 1.00 1.00 H new ATOM 0 HA ASP A 3 3.470 -9.793 -4.734 1.00 1.00 H new ATOM 0 HB2 ASP A 3 4.812 -11.724 -6.109 1.00 1.00 H new ATOM 0 HB3 ASP A 3 5.532 -10.302 -6.836 1.00 1.00 H new ATOM 37 N ASP A 4 2.651 -7.958 -6.783 1.00 1.00 N ATOM 38 CA ASP A 4 2.613 -6.644 -7.398 1.00 1.00 C ATOM 39 C ASP A 4 3.043 -5.570 -6.401 1.00 1.00 C ATOM 40 O ASP A 4 3.775 -5.850 -5.452 1.00 1.00 O ATOM 41 CB ASP A 4 1.204 -6.355 -7.925 1.00 1.00 C ATOM 42 CG ASP A 4 1.222 -5.646 -9.265 1.00 1.00 C ATOM 43 OD1 ASP A 4 1.914 -4.613 -9.381 1.00 1.00 O ATOM 44 OD2 ASP A 4 0.545 -6.125 -10.199 1.00 1.00 O ATOM 0 H ASP A 4 1.735 -8.387 -6.650 1.00 1.00 H new ATOM 0 HA ASP A 4 3.312 -6.629 -8.234 1.00 1.00 H new ATOM 0 HB2 ASP A 4 0.655 -7.292 -8.020 1.00 1.00 H new ATOM 0 HB3 ASP A 4 0.666 -5.743 -7.201 1.00 1.00 H new ATOM 49 N CYS A 5 2.585 -4.342 -6.620 1.00 1.00 N ATOM 50 CA CYS A 5 2.924 -3.230 -5.740 1.00 1.00 C ATOM 51 C CYS A 5 1.783 -2.223 -5.672 1.00 1.00 C ATOM 52 O CYS A 5 0.690 -2.472 -6.181 1.00 1.00 O ATOM 53 CB CYS A 5 4.198 -2.537 -6.224 1.00 1.00 C ATOM 54 SG CYS A 5 5.587 -3.672 -6.543 1.00 1.00 S ATOM 0 H CYS A 5 1.978 -4.092 -7.400 1.00 1.00 H new ATOM 0 HA CYS A 5 3.093 -3.631 -4.741 1.00 1.00 H new ATOM 0 HB2 CYS A 5 3.975 -1.987 -7.138 1.00 1.00 H new ATOM 0 HB3 CYS A 5 4.506 -1.804 -5.478 1.00 1.00 H new ATOM 59 N LEU A 6 2.044 -1.083 -5.042 1.00 1.00 N ATOM 60 CA LEU A 6 1.038 -0.037 -4.909 1.00 1.00 C ATOM 61 C LEU A 6 1.688 1.318 -4.634 1.00 1.00 C ATOM 62 O LEU A 6 2.022 1.633 -3.492 1.00 1.00 O ATOM 63 CB LEU A 6 0.059 -0.384 -3.785 1.00 1.00 C ATOM 64 CG LEU A 6 -1.232 -1.062 -4.246 1.00 1.00 C ATOM 65 CD1 LEU A 6 -1.114 -2.573 -4.125 1.00 1.00 C ATOM 66 CD2 LEU A 6 -2.420 -0.553 -3.443 1.00 1.00 C ATOM 0 H LEU A 6 2.943 -0.860 -4.616 1.00 1.00 H new ATOM 0 HA LEU A 6 0.493 0.029 -5.851 1.00 1.00 H new ATOM 0 HB2 LEU A 6 0.562 -1.038 -3.073 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -0.198 0.531 -3.251 1.00 1.00 H new ATOM 0 HG LEU A 6 -1.395 -0.813 -5.295 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -2.042 -3.038 -4.457 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -0.289 -2.924 -4.745 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -0.926 -2.841 -3.085 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -3.329 -1.047 -3.786 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -2.265 -0.771 -2.386 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -2.518 0.524 -3.581 1.00 1.00 H new ATOM 78 N PRO A 7 1.871 2.146 -5.679 1.00 1.00 N ATOM 79 CA PRO A 7 2.477 3.473 -5.535 1.00 1.00 C ATOM 80 C PRO A 7 1.642 4.390 -4.657 1.00 1.00 C ATOM 81 O PRO A 7 0.538 4.040 -4.242 1.00 1.00 O ATOM 82 CB PRO A 7 2.534 4.010 -6.969 1.00 1.00 C ATOM 83 CG PRO A 7 1.522 3.216 -7.721 1.00 1.00 C ATOM 84 CD PRO A 7 1.497 1.860 -7.077 1.00 1.00 C ATOM 0 HA PRO A 7 3.454 3.422 -5.054 1.00 1.00 H new ATOM 0 HB2 PRO A 7 2.303 5.075 -7.001 1.00 1.00 H new ATOM 0 HB3 PRO A 7 3.529 3.887 -7.397 1.00 1.00 H new ATOM 0 HG2 PRO A 7 0.541 3.689 -7.673 1.00 1.00 H new ATOM 0 HG3 PRO A 7 1.789 3.142 -8.775 1.00 1.00 H new ATOM 0 HD2 PRO A 7 0.511 1.400 -7.144 1.00 1.00 H new ATOM 0 HD3 PRO A 7 2.201 1.176 -7.551 1.00 1.00 H new ATOM 92 N ARG A 8 2.186 5.562 -4.371 1.00 1.00 N ATOM 93 CA ARG A 8 1.514 6.531 -3.538 1.00 1.00 C ATOM 94 C ARG A 8 0.286 7.096 -4.244 1.00 1.00 C ATOM 95 O ARG A 8 0.336 8.174 -4.836 1.00 1.00 O ATOM 96 CB ARG A 8 2.469 7.666 -3.163 1.00 1.00 C ATOM 97 CG ARG A 8 3.235 8.234 -4.347 1.00 1.00 C ATOM 98 CD ARG A 8 3.515 9.717 -4.169 1.00 1.00 C ATOM 99 NE ARG A 8 2.295 10.477 -3.907 1.00 1.00 N ATOM 100 CZ ARG A 8 2.284 11.747 -3.510 1.00 1.00 C ATOM 101 NH1 ARG A 8 3.424 12.403 -3.328 1.00 1.00 N ATOM 102 NH2 ARG A 8 1.130 12.364 -3.293 1.00 1.00 N ATOM 0 H ARG A 8 3.100 5.862 -4.710 1.00 1.00 H new ATOM 0 HA ARG A 8 1.189 6.026 -2.628 1.00 1.00 H new ATOM 0 HB2 ARG A 8 1.900 8.467 -2.691 1.00 1.00 H new ATOM 0 HB3 ARG A 8 3.180 7.301 -2.422 1.00 1.00 H new ATOM 0 HG2 ARG A 8 4.176 7.697 -4.465 1.00 1.00 H new ATOM 0 HG3 ARG A 8 2.662 8.078 -5.261 1.00 1.00 H new ATOM 0 HD2 ARG A 8 4.214 9.858 -3.344 1.00 1.00 H new ATOM 0 HD3 ARG A 8 3.998 10.105 -5.066 1.00 1.00 H new ATOM 0 HE ARG A 8 1.399 10.007 -4.036 1.00 1.00 H new ATOM 0 HH11 ARG A 8 4.314 11.934 -3.493 1.00 1.00 H new ATOM 0 HH12 ARG A 8 3.409 13.376 -3.024 1.00 1.00 H new ATOM 0 HH21 ARG A 8 0.251 11.865 -3.430 1.00 1.00 H new ATOM 0 HH22 ARG A 8 1.122 13.338 -2.989 1.00 1.00 H new ATOM 116 N GLY A 9 -0.816 6.355 -4.176 1.00 1.00 N ATOM 117 CA GLY A 9 -2.045 6.791 -4.813 1.00 1.00 C ATOM 118 C GLY A 9 -3.219 5.883 -4.504 1.00 1.00 C ATOM 119 O GLY A 9 -4.354 6.344 -4.382 1.00 1.00 O ATOM 0 H GLY A 9 -0.879 5.460 -3.691 1.00 1.00 H new ATOM 0 HA2 GLY A 9 -2.279 7.804 -4.486 1.00 1.00 H new ATOM 0 HA3 GLY A 9 -1.896 6.830 -5.892 1.00 1.00 H new ATOM 123 N SER A 10 -2.947 4.589 -4.378 1.00 1.00 N ATOM 124 CA SER A 10 -3.990 3.614 -4.083 1.00 1.00 C ATOM 125 C SER A 10 -4.215 3.495 -2.579 1.00 1.00 C ATOM 126 O SER A 10 -3.320 3.780 -1.783 1.00 1.00 O ATOM 127 CB SER A 10 -3.622 2.249 -4.666 1.00 1.00 C ATOM 128 OG SER A 10 -4.646 1.299 -4.429 1.00 1.00 O ATOM 0 H SER A 10 -2.013 4.191 -4.476 1.00 1.00 H new ATOM 0 HA SER A 10 -4.916 3.960 -4.544 1.00 1.00 H new ATOM 0 HB2 SER A 10 -3.450 2.343 -5.738 1.00 1.00 H new ATOM 0 HB3 SER A 10 -2.689 1.901 -4.223 1.00 1.00 H new ATOM 0 HG SER A 10 -4.464 0.486 -4.945 1.00 1.00 H new ATOM 134 N LYS A 11 -5.416 3.073 -2.197 1.00 1.00 N ATOM 135 CA LYS A 11 -5.762 2.918 -0.794 1.00 1.00 C ATOM 136 C LYS A 11 -5.009 1.749 -0.170 1.00 1.00 C ATOM 137 O LYS A 11 -4.317 1.002 -0.860 1.00 1.00 O ATOM 138 CB LYS A 11 -7.269 2.712 -0.638 1.00 1.00 C ATOM 139 CG LYS A 11 -8.104 3.761 -1.353 1.00 1.00 C ATOM 140 CD LYS A 11 -9.573 3.371 -1.395 1.00 1.00 C ATOM 141 CE LYS A 11 -10.213 3.753 -2.719 1.00 1.00 C ATOM 142 NZ LYS A 11 -11.203 2.736 -3.171 1.00 1.00 N ATOM 0 H LYS A 11 -6.167 2.832 -2.844 1.00 1.00 H new ATOM 0 HA LYS A 11 -5.471 3.830 -0.273 1.00 1.00 H new ATOM 0 HB2 LYS A 11 -7.534 1.726 -1.020 1.00 1.00 H new ATOM 0 HB3 LYS A 11 -7.521 2.721 0.423 1.00 1.00 H new ATOM 0 HG2 LYS A 11 -7.996 4.720 -0.847 1.00 1.00 H new ATOM 0 HG3 LYS A 11 -7.732 3.893 -2.369 1.00 1.00 H new ATOM 0 HD2 LYS A 11 -9.670 2.296 -1.240 1.00 1.00 H new ATOM 0 HD3 LYS A 11 -10.104 3.860 -0.578 1.00 1.00 H new ATOM 0 HE2 LYS A 11 -10.706 4.720 -2.618 1.00 1.00 H new ATOM 0 HE3 LYS A 11 -9.438 3.868 -3.477 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 -11.617 3.033 -4.077 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 -10.728 1.819 -3.292 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 -11.956 2.645 -2.460 1.00 1.00 H new ATOM 156 N CYS A 12 -5.151 1.600 1.142 1.00 1.00 N ATOM 157 CA CYS A 12 -4.486 0.524 1.866 1.00 1.00 C ATOM 158 C CYS A 12 -5.427 -0.112 2.886 1.00 1.00 C ATOM 159 O CYS A 12 -5.002 -0.538 3.959 1.00 1.00 O ATOM 160 CB CYS A 12 -3.230 1.052 2.562 1.00 1.00 C ATOM 161 SG CYS A 12 -1.683 0.282 1.987 1.00 1.00 S ATOM 0 H CYS A 12 -5.721 2.211 1.726 1.00 1.00 H new ATOM 0 HA CYS A 12 -4.197 -0.242 1.146 1.00 1.00 H new ATOM 0 HB2 CYS A 12 -3.167 2.129 2.407 1.00 1.00 H new ATOM 0 HB3 CYS A 12 -3.327 0.890 3.636 1.00 1.00 H new ATOM 166 N LEU A 13 -6.708 -0.171 2.539 1.00 1.00 N ATOM 167 CA LEU A 13 -7.717 -0.752 3.417 1.00 1.00 C ATOM 168 C LEU A 13 -7.523 -2.268 3.531 1.00 1.00 C ATOM 169 O LEU A 13 -6.398 -2.760 3.451 1.00 1.00 O ATOM 170 CB LEU A 13 -9.120 -0.427 2.881 1.00 1.00 C ATOM 171 CG LEU A 13 -10.191 -0.075 3.929 1.00 1.00 C ATOM 172 CD1 LEU A 13 -11.511 -0.746 3.584 1.00 1.00 C ATOM 173 CD2 LEU A 13 -9.754 -0.464 5.337 1.00 1.00 C ATOM 0 H LEU A 13 -7.073 0.178 1.653 1.00 1.00 H new ATOM 0 HA LEU A 13 -7.610 -0.321 4.413 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -9.035 0.409 2.186 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -9.473 -1.284 2.307 1.00 1.00 H new ATOM 0 HG LEU A 13 -10.325 1.007 3.911 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -12.258 -0.487 4.335 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -11.847 -0.405 2.605 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -11.375 -1.827 3.565 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -10.537 -0.199 6.047 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -9.575 -1.538 5.379 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -8.837 0.067 5.593 1.00 1.00 H new ATOM 185 N GLY A 14 -8.618 -3.007 3.722 1.00 1.00 N ATOM 186 CA GLY A 14 -8.529 -4.452 3.847 1.00 1.00 C ATOM 187 C GLY A 14 -7.771 -5.102 2.707 1.00 1.00 C ATOM 188 O GLY A 14 -7.276 -6.221 2.843 1.00 1.00 O ATOM 0 H GLY A 14 -9.563 -2.629 3.792 1.00 1.00 H new ATOM 0 HA2 GLY A 14 -8.039 -4.700 4.789 1.00 1.00 H new ATOM 0 HA3 GLY A 14 -9.535 -4.869 3.891 1.00 1.00 H new ATOM 192 N GLU A 15 -7.687 -4.400 1.583 1.00 1.00 N ATOM 193 CA GLU A 15 -6.994 -4.895 0.399 1.00 1.00 C ATOM 194 C GLU A 15 -5.729 -5.668 0.751 1.00 1.00 C ATOM 195 O GLU A 15 -4.843 -5.156 1.436 1.00 1.00 O ATOM 196 CB GLU A 15 -6.639 -3.726 -0.519 1.00 1.00 C ATOM 197 CG GLU A 15 -7.403 -3.749 -1.824 1.00 1.00 C ATOM 198 CD GLU A 15 -6.495 -3.829 -3.037 1.00 1.00 C ATOM 199 OE1 GLU A 15 -5.521 -3.051 -3.102 1.00 1.00 O ATOM 200 OE2 GLU A 15 -6.759 -4.671 -3.921 1.00 1.00 O ATOM 0 H GLU A 15 -8.097 -3.473 1.466 1.00 1.00 H new ATOM 0 HA GLU A 15 -7.670 -5.582 -0.110 1.00 1.00 H new ATOM 0 HB2 GLU A 15 -6.843 -2.789 -0.001 1.00 1.00 H new ATOM 0 HB3 GLU A 15 -5.570 -3.748 -0.729 1.00 1.00 H new ATOM 0 HG2 GLU A 15 -8.082 -4.602 -1.827 1.00 1.00 H new ATOM 0 HG3 GLU A 15 -8.018 -2.852 -1.895 1.00 1.00 H new ATOM 207 N ASN A 16 -5.646 -6.897 0.259 1.00 1.00 N ATOM 208 CA ASN A 16 -4.483 -7.735 0.501 1.00 1.00 C ATOM 209 C ASN A 16 -3.339 -7.343 -0.430 1.00 1.00 C ATOM 210 O ASN A 16 -2.230 -7.866 -0.320 1.00 1.00 O ATOM 211 CB ASN A 16 -4.837 -9.211 0.305 1.00 1.00 C ATOM 212 CG ASN A 16 -6.025 -9.637 1.145 1.00 1.00 C ATOM 213 OD1 ASN A 16 -7.176 -9.388 0.784 1.00 1.00 O ATOM 214 ND2 ASN A 16 -5.751 -10.282 2.272 1.00 1.00 N ATOM 0 H ASN A 16 -6.371 -7.334 -0.310 1.00 1.00 H new ATOM 0 HA ASN A 16 -4.162 -7.586 1.532 1.00 1.00 H new ATOM 0 HB2 ASN A 16 -5.056 -9.393 -0.747 1.00 1.00 H new ATOM 0 HB3 ASN A 16 -3.975 -9.826 0.562 1.00 1.00 H new ATOM 0 HD21 ASN A 16 -6.509 -10.593 2.879 1.00 1.00 H new ATOM 0 HD22 ASN A 16 -4.782 -10.467 2.531 1.00 1.00 H new ATOM 221 N LYS A 17 -3.615 -6.414 -1.346 1.00 1.00 N ATOM 222 CA LYS A 17 -2.605 -5.952 -2.290 1.00 1.00 C ATOM 223 C LYS A 17 -1.539 -5.124 -1.581 1.00 1.00 C ATOM 224 O LYS A 17 -1.761 -3.959 -1.252 1.00 1.00 O ATOM 225 CB LYS A 17 -3.255 -5.126 -3.401 1.00 1.00 C ATOM 226 CG LYS A 17 -2.603 -5.315 -4.761 1.00 1.00 C ATOM 227 CD LYS A 17 -2.969 -6.657 -5.373 1.00 1.00 C ATOM 228 CE LYS A 17 -4.284 -6.584 -6.131 1.00 1.00 C ATOM 229 NZ LYS A 17 -4.159 -5.792 -7.386 1.00 1.00 N ATOM 0 H LYS A 17 -4.527 -5.970 -1.452 1.00 1.00 H new ATOM 0 HA LYS A 17 -2.127 -6.827 -2.731 1.00 1.00 H new ATOM 0 HB2 LYS A 17 -4.309 -5.394 -3.472 1.00 1.00 H new ATOM 0 HB3 LYS A 17 -3.212 -4.071 -3.130 1.00 1.00 H new ATOM 0 HG2 LYS A 17 -2.914 -4.512 -5.429 1.00 1.00 H new ATOM 0 HG3 LYS A 17 -1.520 -5.244 -4.659 1.00 1.00 H new ATOM 0 HD2 LYS A 17 -2.176 -6.978 -6.048 1.00 1.00 H new ATOM 0 HD3 LYS A 17 -3.042 -7.409 -4.587 1.00 1.00 H new ATOM 0 HE2 LYS A 17 -4.621 -7.592 -6.370 1.00 1.00 H new ATOM 0 HE3 LYS A 17 -5.046 -6.136 -5.493 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 -4.958 -6.010 -8.015 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 -4.165 -4.777 -7.158 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 -3.267 -6.034 -7.862 1.00 1.00 H new ATOM 243 N GLN A 18 -0.381 -5.734 -1.345 1.00 1.00 N ATOM 244 CA GLN A 18 0.718 -5.052 -0.672 1.00 1.00 C ATOM 245 C GLN A 18 1.512 -4.197 -1.654 1.00 1.00 C ATOM 246 O GLN A 18 1.632 -4.535 -2.831 1.00 1.00 O ATOM 247 CB GLN A 18 1.643 -6.071 -0.002 1.00 1.00 C ATOM 248 CG GLN A 18 2.220 -5.591 1.320 1.00 1.00 C ATOM 249 CD GLN A 18 3.548 -6.245 1.648 1.00 1.00 C ATOM 250 OE1 GLN A 18 4.527 -5.567 1.957 1.00 1.00 O ATOM 251 NE2 GLN A 18 3.586 -7.571 1.582 1.00 1.00 N ATOM 0 H GLN A 18 -0.180 -6.698 -1.610 1.00 1.00 H new ATOM 0 HA GLN A 18 0.294 -4.398 0.090 1.00 1.00 H new ATOM 0 HB2 GLN A 18 1.090 -6.995 0.166 1.00 1.00 H new ATOM 0 HB3 GLN A 18 2.462 -6.308 -0.682 1.00 1.00 H new ATOM 0 HG2 GLN A 18 2.351 -4.509 1.284 1.00 1.00 H new ATOM 0 HG3 GLN A 18 1.509 -5.799 2.120 1.00 1.00 H new ATOM 0 HE21 GLN A 18 2.749 -8.093 1.321 1.00 1.00 H new ATOM 0 HE22 GLN A 18 4.452 -8.067 1.792 1.00 1.00 H new ATOM 260 N CYS A 19 2.054 -3.088 -1.161 1.00 1.00 N ATOM 261 CA CYS A 19 2.837 -2.184 -1.995 1.00 1.00 C ATOM 262 C CYS A 19 4.178 -2.812 -2.364 1.00 1.00 C ATOM 263 O CYS A 19 4.476 -3.940 -1.970 1.00 1.00 O ATOM 264 CB CYS A 19 3.059 -0.854 -1.273 1.00 1.00 C ATOM 265 SG CYS A 19 1.520 -0.001 -0.799 1.00 1.00 S ATOM 0 H CYS A 19 1.965 -2.794 -0.188 1.00 1.00 H new ATOM 0 HA CYS A 19 2.280 -1.999 -2.913 1.00 1.00 H new ATOM 0 HB2 CYS A 19 3.653 -1.034 -0.377 1.00 1.00 H new ATOM 0 HB3 CYS A 19 3.643 -0.196 -1.917 1.00 1.00 H new ATOM 270 N CYS A 20 4.982 -2.078 -3.126 1.00 1.00 N ATOM 271 CA CYS A 20 6.289 -2.567 -3.551 1.00 1.00 C ATOM 272 C CYS A 20 7.257 -2.639 -2.374 1.00 1.00 C ATOM 273 O CYS A 20 6.923 -2.252 -1.255 1.00 1.00 O ATOM 274 CB CYS A 20 6.865 -1.667 -4.647 1.00 1.00 C ATOM 275 SG CYS A 20 7.235 -2.534 -6.207 1.00 1.00 S ATOM 0 H CYS A 20 4.752 -1.143 -3.462 1.00 1.00 H new ATOM 0 HA CYS A 20 6.157 -3.573 -3.949 1.00 1.00 H new ATOM 0 HB2 CYS A 20 6.158 -0.863 -4.850 1.00 1.00 H new ATOM 0 HB3 CYS A 20 7.779 -1.202 -4.277 1.00 1.00 H new ATOM 280 N LYS A 21 8.457 -3.141 -2.640 1.00 1.00 N ATOM 281 CA LYS A 21 9.478 -3.273 -1.615 1.00 1.00 C ATOM 282 C LYS A 21 10.084 -1.917 -1.264 1.00 1.00 C ATOM 283 O LYS A 21 10.539 -1.184 -2.142 1.00 1.00 O ATOM 284 CB LYS A 21 10.577 -4.230 -2.080 1.00 1.00 C ATOM 285 CG LYS A 21 11.147 -5.090 -0.964 1.00 1.00 C ATOM 286 CD LYS A 21 12.619 -5.394 -1.192 1.00 1.00 C ATOM 287 CE LYS A 21 13.511 -4.462 -0.389 1.00 1.00 C ATOM 288 NZ LYS A 21 13.493 -3.074 -0.928 1.00 1.00 N ATOM 0 H LYS A 21 8.745 -3.464 -3.563 1.00 1.00 H new ATOM 0 HA LYS A 21 9.005 -3.679 -0.721 1.00 1.00 H new ATOM 0 HB2 LYS A 21 10.177 -4.879 -2.859 1.00 1.00 H new ATOM 0 HB3 LYS A 21 11.384 -3.652 -2.530 1.00 1.00 H new ATOM 0 HG2 LYS A 21 11.024 -4.578 -0.010 1.00 1.00 H new ATOM 0 HG3 LYS A 21 10.587 -6.023 -0.900 1.00 1.00 H new ATOM 0 HD2 LYS A 21 12.826 -6.427 -0.913 1.00 1.00 H new ATOM 0 HD3 LYS A 21 12.851 -5.298 -2.253 1.00 1.00 H new ATOM 0 HE2 LYS A 21 13.183 -4.452 0.650 1.00 1.00 H new ATOM 0 HE3 LYS A 21 14.533 -4.841 -0.397 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 14.317 -2.551 -0.568 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 13.529 -3.105 -1.967 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 12.620 -2.596 -0.626 1.00 1.00 H new ATOM 302 N GLY A 22 10.088 -1.591 0.024 1.00 1.00 N ATOM 303 CA GLY A 22 10.642 -0.326 0.467 1.00 1.00 C ATOM 304 C GLY A 22 9.572 0.672 0.870 1.00 1.00 C ATOM 305 O GLY A 22 9.862 1.665 1.537 1.00 1.00 O ATOM 0 H GLY A 22 9.717 -2.181 0.769 1.00 1.00 H new ATOM 0 HA2 GLY A 22 11.307 -0.501 1.313 1.00 1.00 H new ATOM 0 HA3 GLY A 22 11.248 0.100 -0.332 1.00 1.00 H new ATOM 309 N THR A 23 8.334 0.410 0.464 1.00 1.00 N ATOM 310 CA THR A 23 7.223 1.294 0.786 1.00 1.00 C ATOM 311 C THR A 23 6.507 0.835 2.050 1.00 1.00 C ATOM 312 O THR A 23 6.708 -0.284 2.523 1.00 1.00 O ATOM 313 CB THR A 23 6.234 1.355 -0.378 1.00 1.00 C ATOM 314 OG1 THR A 23 6.207 0.125 -1.081 1.00 1.00 O ATOM 315 CG2 THR A 23 6.549 2.450 -1.375 1.00 1.00 C ATOM 0 H THR A 23 8.076 -0.408 -0.089 1.00 1.00 H new ATOM 0 HA THR A 23 7.629 2.290 0.961 1.00 1.00 H new ATOM 0 HB THR A 23 5.267 1.569 0.077 1.00 1.00 H new ATOM 0 HG1 THR A 23 6.208 -0.617 -0.441 1.00 1.00 H new ATOM 0 HG21 THR A 23 5.809 2.438 -2.175 1.00 1.00 H new ATOM 0 HG22 THR A 23 6.525 3.417 -0.873 1.00 1.00 H new ATOM 0 HG23 THR A 23 7.541 2.285 -1.796 1.00 1.00 H new ATOM 323 N THR A 24 5.670 1.712 2.589 1.00 1.00 N ATOM 324 CA THR A 24 4.914 1.410 3.799 1.00 1.00 C ATOM 325 C THR A 24 3.417 1.553 3.550 1.00 1.00 C ATOM 326 O THR A 24 2.977 2.455 2.838 1.00 1.00 O ATOM 327 CB THR A 24 5.348 2.332 4.941 1.00 1.00 C ATOM 328 OG1 THR A 24 5.947 3.511 4.434 1.00 1.00 O ATOM 329 CG2 THR A 24 6.336 1.687 5.888 1.00 1.00 C ATOM 0 H THR A 24 5.497 2.641 2.206 1.00 1.00 H new ATOM 0 HA THR A 24 5.120 0.378 4.081 1.00 1.00 H new ATOM 0 HB THR A 24 4.435 2.558 5.492 1.00 1.00 H new ATOM 0 HG1 THR A 24 5.323 3.960 3.826 1.00 1.00 H new ATOM 0 HG21 THR A 24 6.602 2.394 6.674 1.00 1.00 H new ATOM 0 HG22 THR A 24 5.886 0.801 6.335 1.00 1.00 H new ATOM 0 HG23 THR A 24 7.233 1.401 5.339 1.00 1.00 H new ATOM 337 N CYS A 25 2.640 0.654 4.141 1.00 1.00 N ATOM 338 CA CYS A 25 1.190 0.674 3.984 1.00 1.00 C ATOM 339 C CYS A 25 0.512 1.136 5.272 1.00 1.00 C ATOM 340 O CYS A 25 0.883 0.712 6.366 1.00 1.00 O ATOM 341 CB CYS A 25 0.689 -0.720 3.591 1.00 1.00 C ATOM 342 SG CYS A 25 -1.125 -0.887 3.548 1.00 1.00 S ATOM 0 H CYS A 25 2.989 -0.099 4.734 1.00 1.00 H new ATOM 0 HA CYS A 25 0.936 1.380 3.194 1.00 1.00 H new ATOM 0 HB2 CYS A 25 1.088 -0.972 2.608 1.00 1.00 H new ATOM 0 HB3 CYS A 25 1.092 -1.449 4.295 1.00 1.00 H new ATOM 347 N MET A 26 -0.481 2.011 5.135 1.00 1.00 N ATOM 348 CA MET A 26 -1.205 2.533 6.285 1.00 1.00 C ATOM 349 C MET A 26 -2.598 1.920 6.378 1.00 1.00 C ATOM 350 O MET A 26 -3.410 2.060 5.464 1.00 1.00 O ATOM 351 CB MET A 26 -1.313 4.051 6.181 1.00 1.00 C ATOM 352 CG MET A 26 -1.188 4.771 7.514 1.00 1.00 C ATOM 353 SD MET A 26 0.362 4.407 8.361 1.00 1.00 S ATOM 354 CE MET A 26 -0.156 3.101 9.472 1.00 1.00 C ATOM 0 H MET A 26 -0.801 2.372 4.236 1.00 1.00 H new ATOM 0 HA MET A 26 -0.654 2.268 7.187 1.00 1.00 H new ATOM 0 HB2 MET A 26 -0.536 4.415 5.508 1.00 1.00 H new ATOM 0 HB3 MET A 26 -2.272 4.307 5.730 1.00 1.00 H new ATOM 0 HG2 MET A 26 -1.263 5.846 7.350 1.00 1.00 H new ATOM 0 HG3 MET A 26 -2.023 4.487 8.155 1.00 1.00 H new ATOM 0 HE1 MET A 26 0.101 3.371 10.496 1.00 1.00 H new ATOM 0 HE2 MET A 26 -1.234 2.963 9.393 1.00 1.00 H new ATOM 0 HE3 MET A 26 0.349 2.173 9.204 1.00 1.00 H new ATOM 364 N PHE A 27 -2.867 1.239 7.485 1.00 1.00 N ATOM 365 CA PHE A 27 -4.154 0.601 7.697 1.00 1.00 C ATOM 366 C PHE A 27 -5.242 1.623 7.995 1.00 1.00 C ATOM 367 O PHE A 27 -6.276 1.663 7.330 1.00 1.00 O ATOM 368 CB PHE A 27 -4.057 -0.400 8.847 1.00 1.00 C ATOM 369 CG PHE A 27 -4.907 -1.623 8.654 1.00 1.00 C ATOM 370 CD1 PHE A 27 -6.227 -1.638 9.075 1.00 1.00 C ATOM 371 CD2 PHE A 27 -4.387 -2.757 8.051 1.00 1.00 C ATOM 372 CE1 PHE A 27 -7.012 -2.762 8.899 1.00 1.00 C ATOM 373 CE2 PHE A 27 -5.167 -3.884 7.872 1.00 1.00 C ATOM 374 CZ PHE A 27 -6.482 -3.886 8.297 1.00 1.00 C ATOM 0 H PHE A 27 -2.205 1.116 8.252 1.00 1.00 H new ATOM 0 HA PHE A 27 -4.423 0.080 6.778 1.00 1.00 H new ATOM 0 HB2 PHE A 27 -3.017 -0.705 8.965 1.00 1.00 H new ATOM 0 HB3 PHE A 27 -4.351 0.094 9.773 1.00 1.00 H new ATOM 0 HD1 PHE A 27 -6.647 -0.762 9.546 1.00 1.00 H new ATOM 0 HD2 PHE A 27 -3.360 -2.760 7.717 1.00 1.00 H new ATOM 0 HE1 PHE A 27 -8.039 -2.761 9.232 1.00 1.00 H new ATOM 0 HE2 PHE A 27 -4.749 -4.762 7.401 1.00 1.00 H new ATOM 0 HZ PHE A 27 -7.094 -4.765 8.159 1.00 1.00 H new ATOM 384 N TYR A 28 -5.004 2.435 9.011 1.00 1.00 N ATOM 385 CA TYR A 28 -5.964 3.453 9.426 1.00 1.00 C ATOM 386 C TYR A 28 -6.075 4.584 8.405 1.00 1.00 C ATOM 387 O TYR A 28 -7.173 5.055 8.108 1.00 1.00 O ATOM 388 CB TYR A 28 -5.572 4.023 10.792 1.00 1.00 C ATOM 389 CG TYR A 28 -4.277 4.805 10.777 1.00 1.00 C ATOM 390 CD1 TYR A 28 -4.253 6.138 10.387 1.00 1.00 C ATOM 391 CD2 TYR A 28 -3.080 4.209 11.155 1.00 1.00 C ATOM 392 CE1 TYR A 28 -3.071 6.855 10.372 1.00 1.00 C ATOM 393 CE2 TYR A 28 -1.895 4.920 11.144 1.00 1.00 C ATOM 394 CZ TYR A 28 -1.896 6.242 10.752 1.00 1.00 C ATOM 395 OH TYR A 28 -0.718 6.953 10.740 1.00 1.00 O ATOM 0 H TYR A 28 -4.150 2.411 9.569 1.00 1.00 H new ATOM 0 HA TYR A 28 -6.939 2.972 9.496 1.00 1.00 H new ATOM 0 HB2 TYR A 28 -6.373 4.671 11.149 1.00 1.00 H new ATOM 0 HB3 TYR A 28 -5.483 3.204 11.505 1.00 1.00 H new ATOM 0 HD1 TYR A 28 -5.172 6.622 10.091 1.00 1.00 H new ATOM 0 HD2 TYR A 28 -3.076 3.174 11.462 1.00 1.00 H new ATOM 0 HE1 TYR A 28 -3.068 7.890 10.064 1.00 1.00 H new ATOM 0 HE2 TYR A 28 -0.973 4.443 11.441 1.00 1.00 H new ATOM 0 HH TYR A 28 0.016 6.375 11.036 1.00 1.00 H new ATOM 405 N ALA A 29 -4.940 5.014 7.866 1.00 1.00 N ATOM 406 CA ALA A 29 -4.924 6.084 6.878 1.00 1.00 C ATOM 407 C ALA A 29 -5.491 5.596 5.556 1.00 1.00 C ATOM 408 O ALA A 29 -5.966 6.384 4.738 1.00 1.00 O ATOM 409 CB ALA A 29 -3.515 6.624 6.693 1.00 1.00 C ATOM 0 H ALA A 29 -4.020 4.638 8.097 1.00 1.00 H new ATOM 0 HA ALA A 29 -5.553 6.896 7.242 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -3.526 7.422 5.951 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -3.148 7.016 7.642 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -2.860 5.822 6.354 1.00 1.00 H new ATOM 415 N ASN A 30 -5.444 4.283 5.360 1.00 1.00 N ATOM 416 CA ASN A 30 -5.953 3.672 4.154 1.00 1.00 C ATOM 417 C ASN A 30 -5.330 4.305 2.913 1.00 1.00 C ATOM 418 O ASN A 30 -6.030 4.856 2.062 1.00 1.00 O ATOM 419 CB ASN A 30 -7.461 3.820 4.123 1.00 1.00 C ATOM 420 CG ASN A 30 -8.166 2.693 4.846 1.00 1.00 C ATOM 421 OD1 ASN A 30 -7.541 1.712 5.245 1.00 1.00 O ATOM 422 ND2 ASN A 30 -9.475 2.828 5.019 1.00 1.00 N ATOM 0 H ASN A 30 -5.053 3.623 6.032 1.00 1.00 H new ATOM 0 HA ASN A 30 -5.688 2.615 4.153 1.00 1.00 H new ATOM 0 HB2 ASN A 30 -7.740 4.770 4.578 1.00 1.00 H new ATOM 0 HB3 ASN A 30 -7.799 3.851 3.087 1.00 1.00 H new ATOM 0 HD21 ASN A 30 -10.004 2.100 5.500 1.00 1.00 H new ATOM 0 HD22 ASN A 30 -9.952 3.660 4.671 1.00 1.00 H new ATOM 429 N ARG A 31 -4.008 4.222 2.820 1.00 1.00 N ATOM 430 CA ARG A 31 -3.280 4.782 1.695 1.00 1.00 C ATOM 431 C ARG A 31 -1.800 4.436 1.800 1.00 1.00 C ATOM 432 O ARG A 31 -1.187 4.592 2.856 1.00 1.00 O ATOM 433 CB ARG A 31 -3.474 6.300 1.645 1.00 1.00 C ATOM 434 CG ARG A 31 -2.489 7.024 0.742 1.00 1.00 C ATOM 435 CD ARG A 31 -2.516 6.463 -0.668 1.00 1.00 C ATOM 436 NE ARG A 31 -2.285 7.499 -1.673 1.00 1.00 N ATOM 437 CZ ARG A 31 -1.144 8.174 -1.797 1.00 1.00 C ATOM 438 NH1 ARG A 31 -0.118 7.911 -0.998 1.00 1.00 N ATOM 439 NH2 ARG A 31 -1.028 9.114 -2.725 1.00 1.00 N ATOM 0 H ARG A 31 -3.418 3.768 3.517 1.00 1.00 H new ATOM 0 HA ARG A 31 -3.671 4.351 0.773 1.00 1.00 H new ATOM 0 HB2 ARG A 31 -4.487 6.515 1.305 1.00 1.00 H new ATOM 0 HB3 ARG A 31 -3.385 6.700 2.655 1.00 1.00 H new ATOM 0 HG2 ARG A 31 -2.729 8.087 0.717 1.00 1.00 H new ATOM 0 HG3 ARG A 31 -1.483 6.934 1.152 1.00 1.00 H new ATOM 0 HD2 ARG A 31 -1.756 5.688 -0.765 1.00 1.00 H new ATOM 0 HD3 ARG A 31 -3.480 5.988 -0.851 1.00 1.00 H new ATOM 0 HE ARG A 31 -3.044 7.718 -2.318 1.00 1.00 H new ATOM 0 HH11 ARG A 31 -0.200 7.188 -0.283 1.00 1.00 H new ATOM 0 HH12 ARG A 31 0.753 8.432 -1.098 1.00 1.00 H new ATOM 0 HH21 ARG A 31 -1.813 9.320 -3.343 1.00 1.00 H new ATOM 0 HH22 ARG A 31 -0.154 9.631 -2.820 1.00 1.00 H new ATOM 453 N CYS A 32 -1.235 3.963 0.700 1.00 1.00 N ATOM 454 CA CYS A 32 0.175 3.591 0.668 1.00 1.00 C ATOM 455 C CYS A 32 1.061 4.821 0.813 1.00 1.00 C ATOM 456 O CYS A 32 0.675 5.925 0.430 1.00 1.00 O ATOM 457 CB CYS A 32 0.510 2.859 -0.632 1.00 1.00 C ATOM 458 SG CYS A 32 2.083 1.938 -0.582 1.00 1.00 S ATOM 0 H CYS A 32 -1.728 3.827 -0.182 1.00 1.00 H new ATOM 0 HA CYS A 32 0.365 2.922 1.507 1.00 1.00 H new ATOM 0 HB2 CYS A 32 -0.298 2.165 -0.865 1.00 1.00 H new ATOM 0 HB3 CYS A 32 0.551 3.584 -1.445 1.00 1.00 H new ATOM 463 N VAL A 33 2.250 4.624 1.368 1.00 1.00 N ATOM 464 CA VAL A 33 3.188 5.714 1.562 1.00 1.00 C ATOM 465 C VAL A 33 4.593 5.197 1.851 1.00 1.00 C ATOM 466 O VAL A 33 4.767 4.075 2.323 1.00 1.00 O ATOM 467 CB VAL A 33 2.739 6.640 2.707 1.00 1.00 C ATOM 468 CG1 VAL A 33 2.772 5.906 4.040 1.00 1.00 C ATOM 469 CG2 VAL A 33 3.603 7.891 2.754 1.00 1.00 C ATOM 0 H VAL A 33 2.585 3.716 1.691 1.00 1.00 H new ATOM 0 HA VAL A 33 3.207 6.282 0.632 1.00 1.00 H new ATOM 0 HB VAL A 33 1.710 6.945 2.517 1.00 1.00 H new ATOM 0 HG11 VAL A 33 2.451 6.580 4.834 1.00 1.00 H new ATOM 0 HG12 VAL A 33 2.102 5.047 3.999 1.00 1.00 H new ATOM 0 HG13 VAL A 33 3.787 5.564 4.242 1.00 1.00 H new ATOM 0 HG21 VAL A 33 3.270 8.533 3.570 1.00 1.00 H new ATOM 0 HG22 VAL A 33 4.643 7.609 2.916 1.00 1.00 H new ATOM 0 HG23 VAL A 33 3.516 8.429 1.810 1.00 1.00 H new ATOM 479 N GLY A 34 5.592 6.024 1.564 1.00 1.00 N ATOM 480 CA GLY A 34 6.969 5.633 1.799 1.00 1.00 C ATOM 481 C GLY A 34 7.946 6.375 0.922 1.00 1.00 C ATOM 482 O GLY A 34 7.631 7.422 0.357 1.00 1.00 O ATOM 0 H GLY A 34 5.473 6.958 1.173 1.00 1.00 H new ATOM 0 HA2 GLY A 34 7.219 5.811 2.845 1.00 1.00 H new ATOM 0 HA3 GLY A 34 7.072 4.562 1.625 1.00 1.00 H new ATOM 486 N VAL A 35 9.137 5.817 0.818 1.00 1.00 N ATOM 487 CA VAL A 35 10.197 6.405 0.009 1.00 1.00 C ATOM 488 C VAL A 35 9.805 6.444 -1.465 1.00 1.00 C ATOM 489 O VAL A 35 9.793 7.551 -2.044 1.00 1.00 O ATOM 490 CB VAL A 35 11.519 5.625 0.162 1.00 1.00 C ATOM 491 CG1 VAL A 35 11.353 4.188 -0.311 1.00 1.00 C ATOM 492 CG2 VAL A 35 12.642 6.318 -0.595 1.00 1.00 C ATOM 493 OXT VAL A 35 9.516 5.368 -2.029 1.00 1.00 O ATOM 0 H VAL A 35 9.400 4.950 1.287 1.00 1.00 H new ATOM 0 HA VAL A 35 10.344 7.424 0.368 1.00 1.00 H new ATOM 0 HB VAL A 35 11.784 5.605 1.219 1.00 1.00 H new ATOM 0 HG11 VAL A 35 12.297 3.655 -0.195 1.00 1.00 H new ATOM 0 HG12 VAL A 35 10.583 3.696 0.283 1.00 1.00 H new ATOM 0 HG13 VAL A 35 11.060 4.182 -1.361 1.00 1.00 H new ATOM 0 HG21 VAL A 35 13.566 5.752 -0.474 1.00 1.00 H new ATOM 0 HG22 VAL A 35 12.387 6.375 -1.653 1.00 1.00 H new ATOM 0 HG23 VAL A 35 12.779 7.325 -0.201 1.00 1.00 H new TER 503 VAL A 35