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 Set 1.1: A 26 MET CE :methyl -125:sc= -0.0482 (180deg=0) USER MOD Set 1.2: A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 135:sc= 0.0459 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.0253 K(o=-0.025,f=-1) USER MOD Single : A 17 LYS NZ :NH3+ -127:sc= -0.0772 (180deg=-0.905) USER MOD Single : A 18 GLN : amide:sc= -0.377 X(o=-0.38,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -159:sc= -0.0809 (180deg=-0.5) USER MOD Single : A 23 THR OG1 : rot 34:sc= 0.385 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -4.01 K(o=-4,f=-8.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 6.076 -4.280 -17.972 1.00 1.00 N ATOM 2 CA ALA A 1 6.074 -3.822 -16.559 1.00 1.00 C ATOM 3 C ALA A 1 5.710 -4.962 -15.614 1.00 1.00 C ATOM 4 O ALA A 1 4.989 -5.886 -15.990 1.00 1.00 O ATOM 5 CB ALA A 1 5.106 -2.661 -16.382 1.00 1.00 C ATOM 0 H1 ALA A 1 5.583 -3.581 -18.564 1.00 1.00 H new ATOM 0 H2 ALA A 1 7.057 -4.383 -18.302 1.00 1.00 H new ATOM 0 H3 ALA A 1 5.589 -5.197 -18.041 1.00 1.00 H new ATOM 0 HA ALA A 1 7.080 -3.484 -16.311 1.00 1.00 H new ATOM 0 HB1 ALA A 1 5.115 -2.335 -15.342 1.00 1.00 H new ATOM 0 HB2 ALA A 1 5.409 -1.834 -17.024 1.00 1.00 H new ATOM 0 HB3 ALA A 1 4.100 -2.981 -16.654 1.00 1.00 H new ATOM 13 N ASP A 2 6.212 -4.889 -14.386 1.00 1.00 N ATOM 14 CA ASP A 2 5.939 -5.916 -13.387 1.00 1.00 C ATOM 15 C ASP A 2 5.969 -5.328 -11.980 1.00 1.00 C ATOM 16 O ASP A 2 6.963 -5.453 -11.265 1.00 1.00 O ATOM 17 CB ASP A 2 6.959 -7.051 -13.499 1.00 1.00 C ATOM 18 CG ASP A 2 6.596 -8.242 -12.634 1.00 1.00 C ATOM 19 OD1 ASP A 2 5.875 -8.050 -11.633 1.00 1.00 O ATOM 20 OD2 ASP A 2 7.034 -9.366 -12.958 1.00 1.00 O ATOM 0 H ASP A 2 6.810 -4.130 -14.059 1.00 1.00 H new ATOM 0 HA ASP A 2 4.941 -6.313 -13.575 1.00 1.00 H new ATOM 0 HB2 ASP A 2 7.031 -7.369 -14.539 1.00 1.00 H new ATOM 0 HB3 ASP A 2 7.943 -6.682 -13.210 1.00 1.00 H new ATOM 25 N ASP A 3 4.873 -4.685 -11.589 1.00 1.00 N ATOM 26 CA ASP A 3 4.773 -4.077 -10.267 1.00 1.00 C ATOM 27 C ASP A 3 3.531 -4.572 -9.533 1.00 1.00 C ATOM 28 O ASP A 3 2.510 -3.887 -9.489 1.00 1.00 O ATOM 29 CB ASP A 3 4.736 -2.553 -10.386 1.00 1.00 C ATOM 30 CG ASP A 3 6.118 -1.933 -10.309 1.00 1.00 C ATOM 31 OD1 ASP A 3 6.765 -1.792 -11.367 1.00 1.00 O ATOM 32 OD2 ASP A 3 6.552 -1.589 -9.189 1.00 1.00 O ATOM 0 H ASP A 3 4.042 -4.572 -12.169 1.00 1.00 H new ATOM 0 HA ASP A 3 5.652 -4.369 -9.693 1.00 1.00 H new ATOM 0 HB2 ASP A 3 4.269 -2.276 -11.331 1.00 1.00 H new ATOM 0 HB3 ASP A 3 4.113 -2.144 -9.591 1.00 1.00 H new ATOM 37 N ASP A 4 3.626 -5.767 -8.958 1.00 1.00 N ATOM 38 CA ASP A 4 2.518 -6.354 -8.228 1.00 1.00 C ATOM 39 C ASP A 4 2.240 -5.570 -6.947 1.00 1.00 C ATOM 40 O ASP A 4 2.555 -4.383 -6.856 1.00 1.00 O ATOM 41 CB ASP A 4 2.824 -7.820 -7.905 1.00 1.00 C ATOM 42 CG ASP A 4 1.610 -8.713 -8.065 1.00 1.00 C ATOM 43 OD1 ASP A 4 0.601 -8.473 -7.368 1.00 1.00 O ATOM 44 OD2 ASP A 4 1.667 -9.652 -8.886 1.00 1.00 O ATOM 0 H ASP A 4 4.465 -6.347 -8.986 1.00 1.00 H new ATOM 0 HA ASP A 4 1.625 -6.309 -8.852 1.00 1.00 H new ATOM 0 HB2 ASP A 4 3.621 -8.174 -8.559 1.00 1.00 H new ATOM 0 HB3 ASP A 4 3.194 -7.894 -6.882 1.00 1.00 H new ATOM 49 N CYS A 5 1.649 -6.237 -5.962 1.00 1.00 N ATOM 50 CA CYS A 5 1.331 -5.601 -4.689 1.00 1.00 C ATOM 51 C CYS A 5 0.424 -4.391 -4.894 1.00 1.00 C ATOM 52 O CYS A 5 -0.190 -4.235 -5.950 1.00 1.00 O ATOM 53 CB CYS A 5 2.613 -5.174 -3.975 1.00 1.00 C ATOM 54 SG CYS A 5 3.921 -6.442 -3.969 1.00 1.00 S ATOM 0 H CYS A 5 1.380 -7.219 -6.021 1.00 1.00 H new ATOM 0 HA CYS A 5 0.803 -6.328 -4.072 1.00 1.00 H new ATOM 0 HB2 CYS A 5 2.998 -4.273 -4.452 1.00 1.00 H new ATOM 0 HB3 CYS A 5 2.372 -4.912 -2.945 1.00 1.00 H new ATOM 59 N LEU A 6 0.343 -3.539 -3.877 1.00 1.00 N ATOM 60 CA LEU A 6 -0.488 -2.348 -3.943 1.00 1.00 C ATOM 61 C LEU A 6 0.343 -1.113 -4.287 1.00 1.00 C ATOM 62 O LEU A 6 1.020 -0.554 -3.425 1.00 1.00 O ATOM 63 CB LEU A 6 -1.211 -2.136 -2.614 1.00 1.00 C ATOM 64 CG LEU A 6 -2.604 -2.759 -2.542 1.00 1.00 C ATOM 65 CD1 LEU A 6 -2.560 -4.085 -1.798 1.00 1.00 C ATOM 66 CD2 LEU A 6 -3.587 -1.805 -1.878 1.00 1.00 C ATOM 0 H LEU A 6 0.845 -3.654 -2.997 1.00 1.00 H new ATOM 0 HA LEU A 6 -1.224 -2.494 -4.734 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -0.600 -2.551 -1.813 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -1.296 -1.065 -2.428 1.00 1.00 H new ATOM 0 HG LEU A 6 -2.946 -2.948 -3.560 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -3.562 -4.513 -1.757 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -1.893 -4.772 -2.318 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -2.194 -3.922 -0.784 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -4.573 -2.269 -1.837 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -3.249 -1.581 -0.866 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -3.644 -0.882 -2.455 1.00 1.00 H new ATOM 78 N PRO A 7 0.298 -0.662 -5.554 1.00 1.00 N ATOM 79 CA PRO A 7 1.046 0.519 -5.993 1.00 1.00 C ATOM 80 C PRO A 7 0.586 1.781 -5.285 1.00 1.00 C ATOM 81 O PRO A 7 -0.378 1.763 -4.519 1.00 1.00 O ATOM 82 CB PRO A 7 0.747 0.606 -7.494 1.00 1.00 C ATOM 83 CG PRO A 7 -0.514 -0.164 -7.682 1.00 1.00 C ATOM 84 CD PRO A 7 -0.489 -1.255 -6.650 1.00 1.00 C ATOM 0 HA PRO A 7 2.109 0.433 -5.768 1.00 1.00 H new ATOM 0 HB2 PRO A 7 0.628 1.641 -7.813 1.00 1.00 H new ATOM 0 HB3 PRO A 7 1.560 0.182 -8.083 1.00 1.00 H new ATOM 0 HG2 PRO A 7 -1.386 0.477 -7.552 1.00 1.00 H new ATOM 0 HG3 PRO A 7 -0.571 -0.579 -8.688 1.00 1.00 H new ATOM 0 HD2 PRO A 7 -1.494 -1.525 -6.324 1.00 1.00 H new ATOM 0 HD3 PRO A 7 -0.024 -2.163 -7.035 1.00 1.00 H new ATOM 92 N ARG A 8 1.291 2.870 -5.537 1.00 1.00 N ATOM 93 CA ARG A 8 0.977 4.139 -4.924 1.00 1.00 C ATOM 94 C ARG A 8 -0.349 4.681 -5.447 1.00 1.00 C ATOM 95 O ARG A 8 -0.378 5.561 -6.306 1.00 1.00 O ATOM 96 CB ARG A 8 2.097 5.148 -5.189 1.00 1.00 C ATOM 97 CG ARG A 8 1.835 6.521 -4.590 1.00 1.00 C ATOM 98 CD ARG A 8 1.571 6.437 -3.096 1.00 1.00 C ATOM 99 NE ARG A 8 0.143 6.458 -2.790 1.00 1.00 N ATOM 100 CZ ARG A 8 -0.600 7.563 -2.794 1.00 1.00 C ATOM 101 NH1 ARG A 8 -0.054 8.737 -3.086 1.00 1.00 N ATOM 102 NH2 ARG A 8 -1.892 7.493 -2.504 1.00 1.00 N ATOM 0 H ARG A 8 2.091 2.895 -6.169 1.00 1.00 H new ATOM 0 HA ARG A 8 0.886 3.984 -3.849 1.00 1.00 H new ATOM 0 HB2 ARG A 8 3.030 4.757 -4.784 1.00 1.00 H new ATOM 0 HB3 ARG A 8 2.235 5.251 -6.265 1.00 1.00 H new ATOM 0 HG2 ARG A 8 2.693 7.168 -4.773 1.00 1.00 H new ATOM 0 HG3 ARG A 8 0.979 6.978 -5.086 1.00 1.00 H new ATOM 0 HD2 ARG A 8 2.013 5.522 -2.701 1.00 1.00 H new ATOM 0 HD3 ARG A 8 2.062 7.271 -2.594 1.00 1.00 H new ATOM 0 HE ARG A 8 -0.312 5.574 -2.560 1.00 1.00 H new ATOM 0 HH11 ARG A 8 0.940 8.796 -3.309 1.00 1.00 H new ATOM 0 HH12 ARG A 8 -0.628 9.580 -3.088 1.00 1.00 H new ATOM 0 HH21 ARG A 8 -2.316 6.593 -2.278 1.00 1.00 H new ATOM 0 HH22 ARG A 8 -2.462 8.339 -2.507 1.00 1.00 H new ATOM 116 N GLY A 9 -1.446 4.143 -4.920 1.00 1.00 N ATOM 117 CA GLY A 9 -2.763 4.581 -5.344 1.00 1.00 C ATOM 118 C GLY A 9 -3.877 3.702 -4.803 1.00 1.00 C ATOM 119 O GLY A 9 -4.999 4.169 -4.604 1.00 1.00 O ATOM 0 H GLY A 9 -1.446 3.413 -4.208 1.00 1.00 H new ATOM 0 HA2 GLY A 9 -2.923 5.607 -5.014 1.00 1.00 H new ATOM 0 HA3 GLY A 9 -2.806 4.586 -6.433 1.00 1.00 H new ATOM 123 N SER A 10 -3.573 2.428 -4.568 1.00 1.00 N ATOM 124 CA SER A 10 -4.564 1.492 -4.051 1.00 1.00 C ATOM 125 C SER A 10 -4.672 1.593 -2.533 1.00 1.00 C ATOM 126 O SER A 10 -3.663 1.639 -1.830 1.00 1.00 O ATOM 127 CB SER A 10 -4.203 0.061 -4.454 1.00 1.00 C ATOM 128 OG SER A 10 -5.302 -0.815 -4.270 1.00 1.00 O ATOM 0 H SER A 10 -2.651 2.022 -4.727 1.00 1.00 H new ATOM 0 HA SER A 10 -5.531 1.752 -4.483 1.00 1.00 H new ATOM 0 HB2 SER A 10 -3.890 0.042 -5.498 1.00 1.00 H new ATOM 0 HB3 SER A 10 -3.356 -0.284 -3.861 1.00 1.00 H new ATOM 0 HG SER A 10 -5.045 -1.722 -4.537 1.00 1.00 H new ATOM 134 N LYS A 11 -5.904 1.628 -2.035 1.00 1.00 N ATOM 135 CA LYS A 11 -6.148 1.724 -0.604 1.00 1.00 C ATOM 136 C LYS A 11 -5.754 0.432 0.102 1.00 1.00 C ATOM 137 O LYS A 11 -5.644 -0.620 -0.527 1.00 1.00 O ATOM 138 CB LYS A 11 -7.621 2.036 -0.337 1.00 1.00 C ATOM 139 CG LYS A 11 -8.019 3.456 -0.704 1.00 1.00 C ATOM 140 CD LYS A 11 -9.443 3.516 -1.235 1.00 1.00 C ATOM 141 CE LYS A 11 -9.553 2.875 -2.608 1.00 1.00 C ATOM 142 NZ LYS A 11 -10.846 2.158 -2.785 1.00 1.00 N ATOM 0 H LYS A 11 -6.749 1.591 -2.605 1.00 1.00 H new ATOM 0 HA LYS A 11 -5.535 2.534 -0.209 1.00 1.00 H new ATOM 0 HB2 LYS A 11 -8.240 1.337 -0.900 1.00 1.00 H new ATOM 0 HB3 LYS A 11 -7.833 1.870 0.719 1.00 1.00 H new ATOM 0 HG2 LYS A 11 -7.929 4.098 0.172 1.00 1.00 H new ATOM 0 HG3 LYS A 11 -7.332 3.845 -1.456 1.00 1.00 H new ATOM 0 HD2 LYS A 11 -10.113 3.009 -0.541 1.00 1.00 H new ATOM 0 HD3 LYS A 11 -9.768 4.555 -1.290 1.00 1.00 H new ATOM 0 HE2 LYS A 11 -9.456 3.643 -3.376 1.00 1.00 H new ATOM 0 HE3 LYS A 11 -8.728 2.176 -2.749 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 -10.881 1.735 -3.734 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 -10.928 1.408 -2.069 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 -11.633 2.829 -2.676 1.00 1.00 H new ATOM 156 N CYS A 12 -5.541 0.516 1.411 1.00 1.00 N ATOM 157 CA CYS A 12 -5.157 -0.654 2.194 1.00 1.00 C ATOM 158 C CYS A 12 -5.394 -0.425 3.684 1.00 1.00 C ATOM 159 O CYS A 12 -4.531 -0.717 4.512 1.00 1.00 O ATOM 160 CB CYS A 12 -3.688 -1.000 1.944 1.00 1.00 C ATOM 161 SG CYS A 12 -2.512 0.254 2.548 1.00 1.00 S ATOM 0 H CYS A 12 -5.627 1.377 1.950 1.00 1.00 H new ATOM 0 HA CYS A 12 -5.781 -1.489 1.876 1.00 1.00 H new ATOM 0 HB2 CYS A 12 -3.464 -1.953 2.424 1.00 1.00 H new ATOM 0 HB3 CYS A 12 -3.536 -1.139 0.874 1.00 1.00 H new ATOM 166 N LEU A 13 -6.570 0.095 4.021 1.00 1.00 N ATOM 167 CA LEU A 13 -6.916 0.354 5.414 1.00 1.00 C ATOM 168 C LEU A 13 -7.122 -0.955 6.169 1.00 1.00 C ATOM 169 O LEU A 13 -6.286 -1.353 6.980 1.00 1.00 O ATOM 170 CB LEU A 13 -8.179 1.218 5.499 1.00 1.00 C ATOM 171 CG LEU A 13 -8.641 1.572 6.917 1.00 1.00 C ATOM 172 CD1 LEU A 13 -9.368 0.398 7.553 1.00 1.00 C ATOM 173 CD2 LEU A 13 -7.461 2.001 7.777 1.00 1.00 C ATOM 0 H LEU A 13 -7.297 0.345 3.351 1.00 1.00 H new ATOM 0 HA LEU A 13 -6.090 0.894 5.877 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -8.003 2.144 4.951 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -8.990 0.696 4.991 1.00 1.00 H new ATOM 0 HG LEU A 13 -9.336 2.409 6.849 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -9.688 0.670 8.559 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -10.240 0.141 6.952 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -8.698 -0.460 7.605 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -7.812 2.248 8.779 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -6.738 1.187 7.836 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -6.986 2.876 7.333 1.00 1.00 H new ATOM 185 N GLY A 14 -8.238 -1.623 5.894 1.00 1.00 N ATOM 186 CA GLY A 14 -8.531 -2.880 6.550 1.00 1.00 C ATOM 187 C GLY A 14 -7.978 -4.074 5.798 1.00 1.00 C ATOM 188 O GLY A 14 -7.847 -5.162 6.357 1.00 1.00 O ATOM 0 H GLY A 14 -8.945 -1.314 5.227 1.00 1.00 H new ATOM 0 HA2 GLY A 14 -8.115 -2.865 7.557 1.00 1.00 H new ATOM 0 HA3 GLY A 14 -9.611 -2.989 6.653 1.00 1.00 H new ATOM 192 N GLU A 15 -7.658 -3.867 4.523 1.00 1.00 N ATOM 193 CA GLU A 15 -7.120 -4.918 3.671 1.00 1.00 C ATOM 194 C GLU A 15 -6.100 -5.787 4.395 1.00 1.00 C ATOM 195 O GLU A 15 -5.206 -5.283 5.076 1.00 1.00 O ATOM 196 CB GLU A 15 -6.474 -4.299 2.432 1.00 1.00 C ATOM 197 CG GLU A 15 -7.227 -4.607 1.156 1.00 1.00 C ATOM 198 CD GLU A 15 -6.388 -5.364 0.145 1.00 1.00 C ATOM 199 OE1 GLU A 15 -5.188 -5.043 0.011 1.00 1.00 O ATOM 200 OE2 GLU A 15 -6.931 -6.276 -0.513 1.00 1.00 O ATOM 0 H GLU A 15 -7.765 -2.967 4.055 1.00 1.00 H new ATOM 0 HA GLU A 15 -7.953 -5.559 3.383 1.00 1.00 H new ATOM 0 HB2 GLU A 15 -6.416 -3.218 2.561 1.00 1.00 H new ATOM 0 HB3 GLU A 15 -5.451 -4.665 2.341 1.00 1.00 H new ATOM 0 HG2 GLU A 15 -8.114 -5.193 1.396 1.00 1.00 H new ATOM 0 HG3 GLU A 15 -7.572 -3.674 0.709 1.00 1.00 H new ATOM 207 N ASN A 16 -6.231 -7.095 4.219 1.00 1.00 N ATOM 208 CA ASN A 16 -5.312 -8.042 4.827 1.00 1.00 C ATOM 209 C ASN A 16 -4.130 -8.306 3.898 1.00 1.00 C ATOM 210 O ASN A 16 -3.195 -9.023 4.257 1.00 1.00 O ATOM 211 CB ASN A 16 -6.032 -9.353 5.148 1.00 1.00 C ATOM 212 CG ASN A 16 -6.748 -9.930 3.943 1.00 1.00 C ATOM 213 OD1 ASN A 16 -7.858 -9.515 3.609 1.00 1.00 O ATOM 214 ND2 ASN A 16 -6.114 -10.892 3.282 1.00 1.00 N ATOM 0 H ASN A 16 -6.968 -7.523 3.658 1.00 1.00 H new ATOM 0 HA ASN A 16 -4.938 -7.612 5.756 1.00 1.00 H new ATOM 0 HB2 ASN A 16 -5.309 -10.079 5.520 1.00 1.00 H new ATOM 0 HB3 ASN A 16 -6.753 -9.182 5.948 1.00 1.00 H new ATOM 0 HD21 ASN A 16 -6.546 -11.318 2.462 1.00 1.00 H new ATOM 0 HD22 ASN A 16 -5.195 -11.205 3.594 1.00 1.00 H new ATOM 221 N LYS A 17 -4.176 -7.720 2.700 1.00 1.00 N ATOM 222 CA LYS A 17 -3.106 -7.894 1.725 1.00 1.00 C ATOM 223 C LYS A 17 -1.839 -7.177 2.177 1.00 1.00 C ATOM 224 O LYS A 17 -1.877 -6.330 3.069 1.00 1.00 O ATOM 225 CB LYS A 17 -3.545 -7.369 0.356 1.00 1.00 C ATOM 226 CG LYS A 17 -3.131 -8.265 -0.800 1.00 1.00 C ATOM 227 CD LYS A 17 -3.191 -7.526 -2.127 1.00 1.00 C ATOM 228 CE LYS A 17 -1.815 -7.049 -2.562 1.00 1.00 C ATOM 229 NZ LYS A 17 -0.912 -8.186 -2.894 1.00 1.00 N ATOM 0 H LYS A 17 -4.941 -7.123 2.386 1.00 1.00 H new ATOM 0 HA LYS A 17 -2.890 -8.959 1.644 1.00 1.00 H new ATOM 0 HB2 LYS A 17 -4.629 -7.259 0.349 1.00 1.00 H new ATOM 0 HB3 LYS A 17 -3.123 -6.376 0.204 1.00 1.00 H new ATOM 0 HG2 LYS A 17 -2.119 -8.632 -0.632 1.00 1.00 H new ATOM 0 HG3 LYS A 17 -3.784 -9.137 -0.838 1.00 1.00 H new ATOM 0 HD2 LYS A 17 -3.608 -8.182 -2.891 1.00 1.00 H new ATOM 0 HD3 LYS A 17 -3.862 -6.672 -2.039 1.00 1.00 H new ATOM 0 HE2 LYS A 17 -1.914 -6.399 -3.431 1.00 1.00 H new ATOM 0 HE3 LYS A 17 -1.369 -6.452 -1.766 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 -0.026 -8.094 -2.357 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 -1.377 -9.082 -2.645 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 -0.702 -8.176 -3.912 1.00 1.00 H new ATOM 243 N GLN A 18 -0.717 -7.523 1.555 1.00 1.00 N ATOM 244 CA GLN A 18 0.564 -6.913 1.894 1.00 1.00 C ATOM 245 C GLN A 18 1.190 -6.245 0.674 1.00 1.00 C ATOM 246 O GLN A 18 1.200 -6.811 -0.419 1.00 1.00 O ATOM 247 CB GLN A 18 1.520 -7.966 2.459 1.00 1.00 C ATOM 248 CG GLN A 18 1.303 -8.253 3.936 1.00 1.00 C ATOM 249 CD GLN A 18 2.281 -7.508 4.824 1.00 1.00 C ATOM 250 OE1 GLN A 18 2.830 -8.070 5.771 1.00 1.00 O ATOM 251 NE2 GLN A 18 2.504 -6.234 4.520 1.00 1.00 N ATOM 0 H GLN A 18 -0.668 -8.222 0.814 1.00 1.00 H new ATOM 0 HA GLN A 18 0.385 -6.150 2.651 1.00 1.00 H new ATOM 0 HB2 GLN A 18 1.402 -8.892 1.896 1.00 1.00 H new ATOM 0 HB3 GLN A 18 2.546 -7.631 2.309 1.00 1.00 H new ATOM 0 HG2 GLN A 18 0.285 -7.976 4.211 1.00 1.00 H new ATOM 0 HG3 GLN A 18 1.401 -9.324 4.113 1.00 1.00 H new ATOM 0 HE21 GLN A 18 2.027 -5.808 3.725 1.00 1.00 H new ATOM 0 HE22 GLN A 18 3.153 -5.682 5.081 1.00 1.00 H new ATOM 260 N CYS A 19 1.712 -5.039 0.870 1.00 1.00 N ATOM 261 CA CYS A 19 2.342 -4.294 -0.214 1.00 1.00 C ATOM 262 C CYS A 19 3.660 -4.945 -0.624 1.00 1.00 C ATOM 263 O CYS A 19 3.992 -6.038 -0.166 1.00 1.00 O ATOM 264 CB CYS A 19 2.580 -2.842 0.208 1.00 1.00 C ATOM 265 SG CYS A 19 1.663 -1.619 -0.784 1.00 1.00 S ATOM 0 H CYS A 19 1.711 -4.557 1.769 1.00 1.00 H new ATOM 0 HA CYS A 19 1.670 -4.307 -1.072 1.00 1.00 H new ATOM 0 HB2 CYS A 19 2.299 -2.729 1.255 1.00 1.00 H new ATOM 0 HB3 CYS A 19 3.646 -2.625 0.138 1.00 1.00 H new ATOM 270 N CYS A 20 4.406 -4.267 -1.489 1.00 1.00 N ATOM 271 CA CYS A 20 5.687 -4.780 -1.959 1.00 1.00 C ATOM 272 C CYS A 20 6.816 -4.369 -1.020 1.00 1.00 C ATOM 273 O CYS A 20 6.617 -3.569 -0.106 1.00 1.00 O ATOM 274 CB CYS A 20 5.972 -4.276 -3.376 1.00 1.00 C ATOM 275 SG CYS A 20 5.549 -5.466 -4.691 1.00 1.00 S ATOM 0 H CYS A 20 4.146 -3.361 -1.879 1.00 1.00 H new ATOM 0 HA CYS A 20 5.632 -5.869 -1.973 1.00 1.00 H new ATOM 0 HB2 CYS A 20 5.413 -3.355 -3.541 1.00 1.00 H new ATOM 0 HB3 CYS A 20 7.030 -4.025 -3.455 1.00 1.00 H new ATOM 280 N LYS A 21 8.001 -4.924 -1.250 1.00 1.00 N ATOM 281 CA LYS A 21 9.160 -4.622 -0.426 1.00 1.00 C ATOM 282 C LYS A 21 9.640 -3.193 -0.659 1.00 1.00 C ATOM 283 O LYS A 21 10.017 -2.828 -1.772 1.00 1.00 O ATOM 284 CB LYS A 21 10.293 -5.607 -0.720 1.00 1.00 C ATOM 285 CG LYS A 21 11.108 -5.982 0.507 1.00 1.00 C ATOM 286 CD LYS A 21 12.548 -6.304 0.142 1.00 1.00 C ATOM 287 CE LYS A 21 13.424 -6.416 1.379 1.00 1.00 C ATOM 288 NZ LYS A 21 13.494 -5.132 2.129 1.00 1.00 N ATOM 0 H LYS A 21 8.182 -5.587 -2.003 1.00 1.00 H new ATOM 0 HA LYS A 21 8.864 -4.720 0.619 1.00 1.00 H new ATOM 0 HB2 LYS A 21 9.872 -6.513 -1.156 1.00 1.00 H new ATOM 0 HB3 LYS A 21 10.957 -5.172 -1.467 1.00 1.00 H new ATOM 0 HG2 LYS A 21 11.088 -5.161 1.223 1.00 1.00 H new ATOM 0 HG3 LYS A 21 10.654 -6.843 0.997 1.00 1.00 H new ATOM 0 HD2 LYS A 21 12.583 -7.240 -0.416 1.00 1.00 H new ATOM 0 HD3 LYS A 21 12.941 -5.527 -0.514 1.00 1.00 H new ATOM 0 HE2 LYS A 21 13.032 -7.196 2.031 1.00 1.00 H new ATOM 0 HE3 LYS A 21 14.429 -6.720 1.086 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 14.342 -5.128 2.732 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 13.543 -4.340 1.457 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 12.646 -5.030 2.723 1.00 1.00 H new ATOM 302 N GLY A 22 9.623 -2.389 0.400 1.00 1.00 N ATOM 303 CA GLY A 22 10.059 -1.009 0.290 1.00 1.00 C ATOM 304 C GLY A 22 8.929 -0.022 0.507 1.00 1.00 C ATOM 305 O GLY A 22 9.166 1.139 0.841 1.00 1.00 O ATOM 0 H GLY A 22 9.315 -2.668 1.331 1.00 1.00 H new ATOM 0 HA2 GLY A 22 10.846 -0.821 1.020 1.00 1.00 H new ATOM 0 HA3 GLY A 22 10.494 -0.847 -0.696 1.00 1.00 H new ATOM 309 N THR A 23 7.696 -0.482 0.315 1.00 1.00 N ATOM 310 CA THR A 23 6.528 0.369 0.490 1.00 1.00 C ATOM 311 C THR A 23 5.963 0.242 1.898 1.00 1.00 C ATOM 312 O THR A 23 6.313 -0.674 2.642 1.00 1.00 O ATOM 313 CB THR A 23 5.451 0.015 -0.535 1.00 1.00 C ATOM 314 OG1 THR A 23 5.494 -1.366 -0.854 1.00 1.00 O ATOM 315 CG2 THR A 23 5.576 0.792 -1.829 1.00 1.00 C ATOM 0 H THR A 23 7.482 -1.440 0.038 1.00 1.00 H new ATOM 0 HA THR A 23 6.842 1.401 0.336 1.00 1.00 H new ATOM 0 HB THR A 23 4.505 0.280 -0.062 1.00 1.00 H new ATOM 0 HG1 THR A 23 5.759 -1.877 -0.061 1.00 1.00 H new ATOM 0 HG21 THR A 23 4.781 0.492 -2.512 1.00 1.00 H new ATOM 0 HG22 THR A 23 5.493 1.859 -1.622 1.00 1.00 H new ATOM 0 HG23 THR A 23 6.544 0.585 -2.286 1.00 1.00 H new ATOM 323 N THR A 24 5.085 1.171 2.254 1.00 1.00 N ATOM 324 CA THR A 24 4.461 1.174 3.572 1.00 1.00 C ATOM 325 C THR A 24 2.990 1.566 3.474 1.00 1.00 C ATOM 326 O THR A 24 2.632 2.494 2.748 1.00 1.00 O ATOM 327 CB THR A 24 5.197 2.136 4.506 1.00 1.00 C ATOM 328 OG1 THR A 24 6.527 2.343 4.066 1.00 1.00 O ATOM 329 CG2 THR A 24 5.257 1.651 5.938 1.00 1.00 C ATOM 0 H THR A 24 4.788 1.935 1.647 1.00 1.00 H new ATOM 0 HA THR A 24 4.524 0.165 3.980 1.00 1.00 H new ATOM 0 HB THR A 24 4.623 3.062 4.477 1.00 1.00 H new ATOM 0 HG1 THR A 24 6.981 2.962 4.675 1.00 1.00 H new ATOM 0 HG21 THR A 24 5.792 2.380 6.547 1.00 1.00 H new ATOM 0 HG22 THR A 24 4.245 1.529 6.324 1.00 1.00 H new ATOM 0 HG23 THR A 24 5.777 0.694 5.977 1.00 1.00 H new ATOM 337 N CYS A 25 2.141 0.853 4.207 1.00 1.00 N ATOM 338 CA CYS A 25 0.709 1.128 4.199 1.00 1.00 C ATOM 339 C CYS A 25 0.327 2.070 5.336 1.00 1.00 C ATOM 340 O CYS A 25 0.823 1.941 6.456 1.00 1.00 O ATOM 341 CB CYS A 25 -0.081 -0.178 4.311 1.00 1.00 C ATOM 342 SG CYS A 25 -0.768 -0.769 2.730 1.00 1.00 S ATOM 0 H CYS A 25 2.419 0.081 4.813 1.00 1.00 H new ATOM 0 HA CYS A 25 0.462 1.614 3.255 1.00 1.00 H new ATOM 0 HB2 CYS A 25 0.569 -0.949 4.723 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -0.897 -0.037 5.020 1.00 1.00 H new ATOM 347 N MET A 26 -0.557 3.017 5.040 1.00 1.00 N ATOM 348 CA MET A 26 -1.007 3.982 6.036 1.00 1.00 C ATOM 349 C MET A 26 -2.455 3.718 6.434 1.00 1.00 C ATOM 350 O MET A 26 -3.315 3.503 5.579 1.00 1.00 O ATOM 351 CB MET A 26 -0.868 5.403 5.493 1.00 1.00 C ATOM 352 CG MET A 26 -0.533 6.433 6.560 1.00 1.00 C ATOM 353 SD MET A 26 1.033 6.094 7.387 1.00 1.00 S ATOM 354 CE MET A 26 2.169 7.007 6.346 1.00 1.00 C ATOM 0 H MET A 26 -0.976 3.137 4.118 1.00 1.00 H new ATOM 0 HA MET A 26 -0.381 3.874 6.921 1.00 1.00 H new ATOM 0 HB2 MET A 26 -0.090 5.417 4.730 1.00 1.00 H new ATOM 0 HB3 MET A 26 -1.799 5.689 5.004 1.00 1.00 H new ATOM 0 HG2 MET A 26 -0.492 7.422 6.104 1.00 1.00 H new ATOM 0 HG3 MET A 26 -1.333 6.456 7.300 1.00 1.00 H new ATOM 0 HE1 MET A 26 2.956 6.340 5.994 1.00 1.00 H new ATOM 0 HE2 MET A 26 1.630 7.416 5.491 1.00 1.00 H new ATOM 0 HE3 MET A 26 2.613 7.821 6.919 1.00 1.00 H new ATOM 364 N PHE A 27 -2.716 3.731 7.736 1.00 1.00 N ATOM 365 CA PHE A 27 -4.050 3.491 8.254 1.00 1.00 C ATOM 366 C PHE A 27 -4.961 4.685 8.010 1.00 1.00 C ATOM 367 O PHE A 27 -6.047 4.553 7.447 1.00 1.00 O ATOM 368 CB PHE A 27 -3.982 3.189 9.749 1.00 1.00 C ATOM 369 CG PHE A 27 -4.988 2.170 10.205 1.00 1.00 C ATOM 370 CD1 PHE A 27 -4.923 0.862 9.751 1.00 1.00 C ATOM 371 CD2 PHE A 27 -5.997 2.520 11.087 1.00 1.00 C ATOM 372 CE1 PHE A 27 -5.846 -0.077 10.169 1.00 1.00 C ATOM 373 CE2 PHE A 27 -6.924 1.585 11.508 1.00 1.00 C ATOM 374 CZ PHE A 27 -6.848 0.285 11.048 1.00 1.00 C ATOM 0 H PHE A 27 -2.013 3.907 8.454 1.00 1.00 H new ATOM 0 HA PHE A 27 -4.467 2.633 7.727 1.00 1.00 H new ATOM 0 HB2 PHE A 27 -2.981 2.833 9.994 1.00 1.00 H new ATOM 0 HB3 PHE A 27 -4.137 4.114 10.305 1.00 1.00 H new ATOM 0 HD1 PHE A 27 -4.142 0.574 9.063 1.00 1.00 H new ATOM 0 HD2 PHE A 27 -6.060 3.535 11.450 1.00 1.00 H new ATOM 0 HE1 PHE A 27 -5.784 -1.093 9.809 1.00 1.00 H new ATOM 0 HE2 PHE A 27 -7.706 1.871 12.196 1.00 1.00 H new ATOM 0 HZ PHE A 27 -7.571 -0.448 11.375 1.00 1.00 H new ATOM 384 N TYR A 28 -4.507 5.848 8.449 1.00 1.00 N ATOM 385 CA TYR A 28 -5.275 7.080 8.299 1.00 1.00 C ATOM 386 C TYR A 28 -5.353 7.510 6.837 1.00 1.00 C ATOM 387 O TYR A 28 -6.401 7.952 6.368 1.00 1.00 O ATOM 388 CB TYR A 28 -4.650 8.197 9.136 1.00 1.00 C ATOM 389 CG TYR A 28 -3.230 8.532 8.738 1.00 1.00 C ATOM 390 CD1 TYR A 28 -2.970 9.436 7.716 1.00 1.00 C ATOM 391 CD2 TYR A 28 -2.150 7.944 9.384 1.00 1.00 C ATOM 392 CE1 TYR A 28 -1.674 9.744 7.348 1.00 1.00 C ATOM 393 CE2 TYR A 28 -0.851 8.247 9.023 1.00 1.00 C ATOM 394 CZ TYR A 28 -0.618 9.148 8.005 1.00 1.00 C ATOM 395 OH TYR A 28 0.674 9.452 7.643 1.00 1.00 O ATOM 0 H TYR A 28 -3.607 5.968 8.914 1.00 1.00 H new ATOM 0 HA TYR A 28 -6.288 6.887 8.652 1.00 1.00 H new ATOM 0 HB2 TYR A 28 -5.264 9.093 9.047 1.00 1.00 H new ATOM 0 HB3 TYR A 28 -4.664 7.904 10.186 1.00 1.00 H new ATOM 0 HD1 TYR A 28 -3.794 9.906 7.200 1.00 1.00 H new ATOM 0 HD2 TYR A 28 -2.329 7.238 10.182 1.00 1.00 H new ATOM 0 HE1 TYR A 28 -1.489 10.448 6.550 1.00 1.00 H new ATOM 0 HE2 TYR A 28 -0.022 7.781 9.535 1.00 1.00 H new ATOM 0 HH TYR A 28 1.299 8.947 8.205 1.00 1.00 H new ATOM 405 N ALA A 29 -4.246 7.366 6.117 1.00 1.00 N ATOM 406 CA ALA A 29 -4.207 7.729 4.708 1.00 1.00 C ATOM 407 C ALA A 29 -5.018 6.738 3.889 1.00 1.00 C ATOM 408 O ALA A 29 -5.548 7.071 2.829 1.00 1.00 O ATOM 409 CB ALA A 29 -2.771 7.788 4.210 1.00 1.00 C ATOM 0 H ALA A 29 -3.367 7.002 6.485 1.00 1.00 H new ATOM 0 HA ALA A 29 -4.648 8.719 4.591 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -2.763 8.061 3.155 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -2.218 8.533 4.782 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -2.302 6.812 4.336 1.00 1.00 H new ATOM 415 N ASN A 30 -5.110 5.514 4.397 1.00 1.00 N ATOM 416 CA ASN A 30 -5.858 4.458 3.724 1.00 1.00 C ATOM 417 C ASN A 30 -5.299 4.199 2.328 1.00 1.00 C ATOM 418 O ASN A 30 -6.050 4.010 1.372 1.00 1.00 O ATOM 419 CB ASN A 30 -7.338 4.835 3.633 1.00 1.00 C ATOM 420 CG ASN A 30 -8.185 3.720 3.054 1.00 1.00 C ATOM 421 OD1 ASN A 30 -7.696 2.617 2.809 1.00 1.00 O ATOM 422 ND2 ASN A 30 -9.464 4.002 2.831 1.00 1.00 N ATOM 0 H ASN A 30 -4.675 5.228 5.274 1.00 1.00 H new ATOM 0 HA ASN A 30 -5.757 3.544 4.309 1.00 1.00 H new ATOM 0 HB2 ASN A 30 -7.707 5.089 4.627 1.00 1.00 H new ATOM 0 HB3 ASN A 30 -7.445 5.727 3.016 1.00 1.00 H new ATOM 0 HD21 ASN A 30 -10.083 3.291 2.442 1.00 1.00 H new ATOM 0 HD22 ASN A 30 -9.827 4.930 3.049 1.00 1.00 H new ATOM 429 N ARG A 31 -3.975 4.188 2.220 1.00 1.00 N ATOM 430 CA ARG A 31 -3.314 3.951 0.947 1.00 1.00 C ATOM 431 C ARG A 31 -1.837 3.633 1.154 1.00 1.00 C ATOM 432 O ARG A 31 -1.206 4.144 2.079 1.00 1.00 O ATOM 433 CB ARG A 31 -3.468 5.169 0.032 1.00 1.00 C ATOM 434 CG ARG A 31 -4.274 4.888 -1.226 1.00 1.00 C ATOM 435 CD ARG A 31 -5.586 5.655 -1.233 1.00 1.00 C ATOM 436 NE ARG A 31 -6.222 5.642 -2.548 1.00 1.00 N ATOM 437 CZ ARG A 31 -7.438 6.128 -2.789 1.00 1.00 C ATOM 438 NH1 ARG A 31 -8.151 6.667 -1.807 1.00 1.00 N ATOM 439 NH2 ARG A 31 -7.942 6.076 -4.014 1.00 1.00 N ATOM 0 H ARG A 31 -3.339 4.341 3.003 1.00 1.00 H new ATOM 0 HA ARG A 31 -3.788 3.091 0.473 1.00 1.00 H new ATOM 0 HB2 ARG A 31 -3.949 5.973 0.589 1.00 1.00 H new ATOM 0 HB3 ARG A 31 -2.478 5.526 -0.253 1.00 1.00 H new ATOM 0 HG2 ARG A 31 -3.687 5.161 -2.103 1.00 1.00 H new ATOM 0 HG3 ARG A 31 -4.476 3.819 -1.298 1.00 1.00 H new ATOM 0 HD2 ARG A 31 -6.264 5.220 -0.498 1.00 1.00 H new ATOM 0 HD3 ARG A 31 -5.405 6.686 -0.928 1.00 1.00 H new ATOM 0 HE ARG A 31 -5.704 5.237 -3.328 1.00 1.00 H new ATOM 0 HH11 ARG A 31 -7.768 6.710 -0.863 1.00 1.00 H new ATOM 0 HH12 ARG A 31 -9.082 7.038 -1.997 1.00 1.00 H new ATOM 0 HH21 ARG A 31 -7.398 5.664 -4.772 1.00 1.00 H new ATOM 0 HH22 ARG A 31 -8.874 6.448 -4.198 1.00 1.00 H new ATOM 453 N CYS A 32 -1.292 2.785 0.288 1.00 1.00 N ATOM 454 CA CYS A 32 0.112 2.402 0.381 1.00 1.00 C ATOM 455 C CYS A 32 1.013 3.502 -0.170 1.00 1.00 C ATOM 456 O CYS A 32 0.658 4.188 -1.128 1.00 1.00 O ATOM 457 CB CYS A 32 0.363 1.094 -0.371 1.00 1.00 C ATOM 458 SG CYS A 32 1.638 0.037 0.389 1.00 1.00 S ATOM 0 H CYS A 32 -1.799 2.351 -0.483 1.00 1.00 H new ATOM 0 HA CYS A 32 0.351 2.254 1.434 1.00 1.00 H new ATOM 0 HB2 CYS A 32 -0.571 0.535 -0.429 1.00 1.00 H new ATOM 0 HB3 CYS A 32 0.660 1.326 -1.394 1.00 1.00 H new ATOM 463 N VAL A 33 2.183 3.661 0.441 1.00 1.00 N ATOM 464 CA VAL A 33 3.137 4.668 0.018 1.00 1.00 C ATOM 465 C VAL A 33 4.557 4.280 0.417 1.00 1.00 C ATOM 466 O VAL A 33 4.767 3.608 1.426 1.00 1.00 O ATOM 467 CB VAL A 33 2.809 6.052 0.611 1.00 1.00 C ATOM 468 CG1 VAL A 33 3.707 7.120 0.003 1.00 1.00 C ATOM 469 CG2 VAL A 33 1.343 6.397 0.398 1.00 1.00 C ATOM 0 H VAL A 33 2.490 3.099 1.235 1.00 1.00 H new ATOM 0 HA VAL A 33 3.067 4.727 -1.068 1.00 1.00 H new ATOM 0 HB VAL A 33 2.996 6.017 1.684 1.00 1.00 H new ATOM 0 HG11 VAL A 33 3.461 8.091 0.434 1.00 1.00 H new ATOM 0 HG12 VAL A 33 4.750 6.883 0.215 1.00 1.00 H new ATOM 0 HG13 VAL A 33 3.555 7.153 -1.076 1.00 1.00 H new ATOM 0 HG21 VAL A 33 1.134 7.378 0.825 1.00 1.00 H new ATOM 0 HG22 VAL A 33 1.124 6.412 -0.670 1.00 1.00 H new ATOM 0 HG23 VAL A 33 0.718 5.649 0.886 1.00 1.00 H new ATOM 479 N GLY A 34 5.528 4.709 -0.383 1.00 1.00 N ATOM 480 CA GLY A 34 6.916 4.397 -0.096 1.00 1.00 C ATOM 481 C GLY A 34 7.368 4.915 1.245 1.00 1.00 C ATOM 482 O GLY A 34 6.737 5.790 1.838 1.00 1.00 O ATOM 0 H GLY A 34 5.379 5.267 -1.224 1.00 1.00 H new ATOM 0 HA2 GLY A 34 7.054 3.316 -0.128 1.00 1.00 H new ATOM 0 HA3 GLY A 34 7.548 4.822 -0.876 1.00 1.00 H new ATOM 486 N VAL A 35 8.470 4.362 1.714 1.00 1.00 N ATOM 487 CA VAL A 35 9.045 4.741 2.990 1.00 1.00 C ATOM 488 C VAL A 35 9.483 6.201 2.986 1.00 1.00 C ATOM 489 O VAL A 35 9.737 6.739 1.888 1.00 1.00 O ATOM 490 CB VAL A 35 10.253 3.852 3.329 1.00 1.00 C ATOM 491 CG1 VAL A 35 9.795 2.496 3.840 1.00 1.00 C ATOM 492 CG2 VAL A 35 11.166 3.696 2.121 1.00 1.00 C ATOM 493 OXT VAL A 35 9.569 6.796 4.081 1.00 1.00 O ATOM 0 H VAL A 35 8.992 3.637 1.221 1.00 1.00 H new ATOM 0 HA VAL A 35 8.272 4.606 3.747 1.00 1.00 H new ATOM 0 HB VAL A 35 10.822 4.339 4.121 1.00 1.00 H new ATOM 0 HG11 VAL A 35 10.665 1.883 4.074 1.00 1.00 H new ATOM 0 HG12 VAL A 35 9.193 2.630 4.739 1.00 1.00 H new ATOM 0 HG13 VAL A 35 9.198 2.001 3.074 1.00 1.00 H new ATOM 0 HG21 VAL A 35 12.013 3.063 2.385 1.00 1.00 H new ATOM 0 HG22 VAL A 35 10.611 3.237 1.303 1.00 1.00 H new ATOM 0 HG23 VAL A 35 11.528 4.676 1.810 1.00 1.00 H new TER 503 VAL A 35