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 11 LYS NZ :NH3+ -172:sc= -1.07 (180deg=-0.199) USER MOD Set 1.2: A 30 ASN : amide:sc= -6.62 K(o=-7.7,f=-14!) USER MOD Set 2.1: A 26 MET CE :methyl 173:sc= -0.015 (180deg=-0.21) USER MOD Set 2.2: A 28 TYR OH : rot -65:sc= 0.569 USER MOD Single : A 1 ALA N :NH3+ 175:sc= -0.143 (180deg=-0.17) USER MOD Single : A 10 SER OG : rot 150:sc= -1.08 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 17 LYS NZ :NH3+ -110:sc= -1.49 (180deg=-5.59!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 38:sc= -1.19 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.711 -8.413 -8.551 1.00 1.00 N ATOM 2 CA ALA A 1 -2.592 -8.449 -9.531 1.00 1.00 C ATOM 3 C ALA A 1 -1.515 -7.427 -9.193 1.00 1.00 C ATOM 4 O ALA A 1 -0.583 -7.207 -9.968 1.00 1.00 O ATOM 5 CB ALA A 1 -3.120 -8.199 -10.928 1.00 1.00 C ATOM 0 H1 ALA A 1 -4.464 -9.061 -8.859 1.00 1.00 H new ATOM 0 H2 ALA A 1 -3.363 -8.706 -7.616 1.00 1.00 H new ATOM 0 H3 ALA A 1 -4.090 -7.446 -8.492 1.00 1.00 H new ATOM 0 HA ALA A 1 -2.139 -9.439 -9.483 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -2.295 -8.227 -11.639 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -3.847 -8.969 -11.185 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -3.599 -7.221 -10.966 1.00 1.00 H new ATOM 13 N ASP A 2 -1.653 -6.812 -8.036 1.00 1.00 N ATOM 14 CA ASP A 2 -0.700 -5.808 -7.577 1.00 1.00 C ATOM 15 C ASP A 2 0.255 -6.397 -6.544 1.00 1.00 C ATOM 16 O ASP A 2 0.719 -5.698 -5.643 1.00 1.00 O ATOM 17 CB ASP A 2 -1.438 -4.608 -6.981 1.00 1.00 C ATOM 18 CG ASP A 2 -2.510 -5.022 -5.992 1.00 1.00 C ATOM 19 OD1 ASP A 2 -3.382 -5.834 -6.367 1.00 1.00 O ATOM 20 OD2 ASP A 2 -2.479 -4.533 -4.843 1.00 1.00 O ATOM 0 H ASP A 2 -2.421 -6.988 -7.388 1.00 1.00 H new ATOM 0 HA ASP A 2 -0.118 -5.476 -8.437 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -0.721 -3.955 -6.484 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -1.893 -4.029 -7.785 1.00 1.00 H new ATOM 25 N ASP A 3 0.546 -7.686 -6.681 1.00 1.00 N ATOM 26 CA ASP A 3 1.446 -8.369 -5.760 1.00 1.00 C ATOM 27 C ASP A 3 2.846 -7.766 -5.819 1.00 1.00 C ATOM 28 O ASP A 3 3.571 -7.756 -4.824 1.00 1.00 O ATOM 29 CB ASP A 3 1.508 -9.863 -6.087 1.00 1.00 C ATOM 30 CG ASP A 3 2.041 -10.127 -7.482 1.00 1.00 C ATOM 31 OD1 ASP A 3 3.250 -9.907 -7.707 1.00 1.00 O ATOM 32 OD2 ASP A 3 1.250 -10.555 -8.348 1.00 1.00 O ATOM 0 H ASP A 3 0.171 -8.279 -7.422 1.00 1.00 H new ATOM 0 HA ASP A 3 1.057 -8.241 -4.750 1.00 1.00 H new ATOM 0 HB2 ASP A 3 2.142 -10.366 -5.357 1.00 1.00 H new ATOM 0 HB3 ASP A 3 0.511 -10.294 -5.994 1.00 1.00 H new ATOM 37 N ASP A 4 3.219 -7.264 -6.992 1.00 1.00 N ATOM 38 CA ASP A 4 4.521 -6.661 -7.189 1.00 1.00 C ATOM 39 C ASP A 4 4.715 -5.462 -6.271 1.00 1.00 C ATOM 40 O ASP A 4 5.536 -5.490 -5.355 1.00 1.00 O ATOM 41 CB ASP A 4 4.686 -6.240 -8.651 1.00 1.00 C ATOM 42 CG ASP A 4 3.383 -5.831 -9.314 1.00 1.00 C ATOM 43 OD1 ASP A 4 2.474 -5.363 -8.598 1.00 1.00 O ATOM 44 OD2 ASP A 4 3.273 -5.980 -10.549 1.00 1.00 O ATOM 0 H ASP A 4 2.628 -7.266 -7.823 1.00 1.00 H new ATOM 0 HA ASP A 4 5.281 -7.401 -6.941 1.00 1.00 H new ATOM 0 HB2 ASP A 4 5.388 -5.408 -8.704 1.00 1.00 H new ATOM 0 HB3 ASP A 4 5.126 -7.065 -9.211 1.00 1.00 H new ATOM 49 N CYS A 5 3.953 -4.412 -6.529 1.00 1.00 N ATOM 50 CA CYS A 5 4.029 -3.192 -5.735 1.00 1.00 C ATOM 51 C CYS A 5 2.673 -2.497 -5.674 1.00 1.00 C ATOM 52 O CYS A 5 1.657 -3.060 -6.081 1.00 1.00 O ATOM 53 CB CYS A 5 5.075 -2.242 -6.320 1.00 1.00 C ATOM 54 SG CYS A 5 6.706 -3.009 -6.592 1.00 1.00 S ATOM 0 H CYS A 5 3.270 -4.378 -7.286 1.00 1.00 H new ATOM 0 HA CYS A 5 4.323 -3.466 -4.722 1.00 1.00 H new ATOM 0 HB2 CYS A 5 4.706 -1.852 -7.269 1.00 1.00 H new ATOM 0 HB3 CYS A 5 5.193 -1.391 -5.649 1.00 1.00 H new ATOM 59 N LEU A 6 2.665 -1.270 -5.164 1.00 1.00 N ATOM 60 CA LEU A 6 1.433 -0.499 -5.051 1.00 1.00 C ATOM 61 C LEU A 6 1.728 0.999 -4.985 1.00 1.00 C ATOM 62 O LEU A 6 2.064 1.525 -3.924 1.00 1.00 O ATOM 63 CB LEU A 6 0.651 -0.933 -3.809 1.00 1.00 C ATOM 64 CG LEU A 6 -0.426 -1.988 -4.065 1.00 1.00 C ATOM 65 CD1 LEU A 6 0.109 -3.380 -3.768 1.00 1.00 C ATOM 66 CD2 LEU A 6 -1.664 -1.701 -3.229 1.00 1.00 C ATOM 0 H LEU A 6 3.497 -0.789 -4.823 1.00 1.00 H new ATOM 0 HA LEU A 6 0.831 -0.691 -5.939 1.00 1.00 H new ATOM 0 HB2 LEU A 6 1.354 -1.323 -3.072 1.00 1.00 H new ATOM 0 HB3 LEU A 6 0.181 -0.054 -3.367 1.00 1.00 H new ATOM 0 HG LEU A 6 -0.706 -1.945 -5.118 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -0.671 -4.117 -3.956 1.00 1.00 H new ATOM 0 HD12 LEU A 6 0.965 -3.586 -4.411 1.00 1.00 H new ATOM 0 HD13 LEU A 6 0.418 -3.436 -2.724 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -2.419 -2.462 -3.424 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -1.400 -1.715 -2.172 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -2.061 -0.720 -3.491 1.00 1.00 H new ATOM 78 N PRO A 7 1.602 1.712 -6.120 1.00 1.00 N ATOM 79 CA PRO A 7 1.856 3.155 -6.174 1.00 1.00 C ATOM 80 C PRO A 7 0.902 3.941 -5.288 1.00 1.00 C ATOM 81 O PRO A 7 -0.042 3.387 -4.724 1.00 1.00 O ATOM 82 CB PRO A 7 1.636 3.514 -7.647 1.00 1.00 C ATOM 83 CG PRO A 7 0.811 2.404 -8.200 1.00 1.00 C ATOM 84 CD PRO A 7 1.202 1.174 -7.432 1.00 1.00 C ATOM 0 HA PRO A 7 2.854 3.401 -5.812 1.00 1.00 H new ATOM 0 HB2 PRO A 7 1.125 4.472 -7.747 1.00 1.00 H new ATOM 0 HB3 PRO A 7 2.584 3.602 -8.177 1.00 1.00 H new ATOM 0 HG2 PRO A 7 -0.252 2.614 -8.085 1.00 1.00 H new ATOM 0 HG3 PRO A 7 0.997 2.274 -9.266 1.00 1.00 H new ATOM 0 HD2 PRO A 7 0.372 0.473 -7.344 1.00 1.00 H new ATOM 0 HD3 PRO A 7 2.020 0.640 -7.915 1.00 1.00 H new ATOM 92 N ARG A 8 1.164 5.234 -5.164 1.00 1.00 N ATOM 93 CA ARG A 8 0.351 6.103 -4.346 1.00 1.00 C ATOM 94 C ARG A 8 -1.035 6.291 -4.956 1.00 1.00 C ATOM 95 O ARG A 8 -1.358 7.359 -5.476 1.00 1.00 O ATOM 96 CB ARG A 8 1.035 7.460 -4.169 1.00 1.00 C ATOM 97 CG ARG A 8 1.514 8.075 -5.476 1.00 1.00 C ATOM 98 CD ARG A 8 0.815 9.394 -5.763 1.00 1.00 C ATOM 99 NE ARG A 8 0.796 10.270 -4.594 1.00 1.00 N ATOM 100 CZ ARG A 8 1.856 10.946 -4.157 1.00 1.00 C ATOM 101 NH1 ARG A 8 3.020 10.851 -4.788 1.00 1.00 N ATOM 102 NH2 ARG A 8 1.753 11.721 -3.085 1.00 1.00 N ATOM 0 H ARG A 8 1.943 5.702 -5.627 1.00 1.00 H new ATOM 0 HA ARG A 8 0.234 5.634 -3.369 1.00 1.00 H new ATOM 0 HB2 ARG A 8 0.340 8.148 -3.687 1.00 1.00 H new ATOM 0 HB3 ARG A 8 1.886 7.344 -3.498 1.00 1.00 H new ATOM 0 HG2 ARG A 8 2.591 8.236 -5.430 1.00 1.00 H new ATOM 0 HG3 ARG A 8 1.330 7.379 -6.295 1.00 1.00 H new ATOM 0 HD2 ARG A 8 1.319 9.900 -6.587 1.00 1.00 H new ATOM 0 HD3 ARG A 8 -0.207 9.199 -6.087 1.00 1.00 H new ATOM 0 HE ARG A 8 -0.081 10.369 -4.083 1.00 1.00 H new ATOM 0 HH11 ARG A 8 3.106 10.257 -5.613 1.00 1.00 H new ATOM 0 HH12 ARG A 8 3.828 11.372 -4.448 1.00 1.00 H new ATOM 0 HH21 ARG A 8 0.861 11.799 -2.596 1.00 1.00 H new ATOM 0 HH22 ARG A 8 2.565 12.239 -2.750 1.00 1.00 H new ATOM 116 N GLY A 9 -1.849 5.242 -4.887 1.00 1.00 N ATOM 117 CA GLY A 9 -3.191 5.307 -5.434 1.00 1.00 C ATOM 118 C GLY A 9 -4.090 4.211 -4.899 1.00 1.00 C ATOM 119 O GLY A 9 -5.258 4.448 -4.592 1.00 1.00 O ATOM 0 H GLY A 9 -1.603 4.348 -4.462 1.00 1.00 H new ATOM 0 HA2 GLY A 9 -3.628 6.278 -5.200 1.00 1.00 H new ATOM 0 HA3 GLY A 9 -3.141 5.233 -6.520 1.00 1.00 H new ATOM 123 N SER A 10 -3.541 3.009 -4.788 1.00 1.00 N ATOM 124 CA SER A 10 -4.294 1.866 -4.286 1.00 1.00 C ATOM 125 C SER A 10 -4.445 1.938 -2.770 1.00 1.00 C ATOM 126 O SER A 10 -3.529 2.358 -2.064 1.00 1.00 O ATOM 127 CB SER A 10 -3.602 0.560 -4.680 1.00 1.00 C ATOM 128 OG SER A 10 -4.176 -0.546 -4.006 1.00 1.00 O ATOM 0 H SER A 10 -2.575 2.799 -5.039 1.00 1.00 H new ATOM 0 HA SER A 10 -5.287 1.892 -4.734 1.00 1.00 H new ATOM 0 HB2 SER A 10 -3.681 0.414 -5.757 1.00 1.00 H new ATOM 0 HB3 SER A 10 -2.540 0.622 -4.444 1.00 1.00 H new ATOM 0 HG SER A 10 -4.097 -1.347 -4.565 1.00 1.00 H new ATOM 134 N LYS A 11 -5.610 1.529 -2.277 1.00 1.00 N ATOM 135 CA LYS A 11 -5.883 1.550 -0.848 1.00 1.00 C ATOM 136 C LYS A 11 -5.054 0.499 -0.117 1.00 1.00 C ATOM 137 O LYS A 11 -4.410 -0.343 -0.743 1.00 1.00 O ATOM 138 CB LYS A 11 -7.372 1.312 -0.590 1.00 1.00 C ATOM 139 CG LYS A 11 -8.281 2.264 -1.350 1.00 1.00 C ATOM 140 CD LYS A 11 -8.134 3.692 -0.851 1.00 1.00 C ATOM 141 CE LYS A 11 -9.095 3.986 0.289 1.00 1.00 C ATOM 142 NZ LYS A 11 -8.564 5.028 1.210 1.00 1.00 N ATOM 0 H LYS A 11 -6.379 1.179 -2.848 1.00 1.00 H new ATOM 0 HA LYS A 11 -5.606 2.533 -0.466 1.00 1.00 H new ATOM 0 HB2 LYS A 11 -7.621 0.287 -0.866 1.00 1.00 H new ATOM 0 HB3 LYS A 11 -7.568 1.411 0.478 1.00 1.00 H new ATOM 0 HG2 LYS A 11 -8.045 2.223 -2.413 1.00 1.00 H new ATOM 0 HG3 LYS A 11 -9.317 1.944 -1.241 1.00 1.00 H new ATOM 0 HD2 LYS A 11 -7.110 3.858 -0.517 1.00 1.00 H new ATOM 0 HD3 LYS A 11 -8.318 4.386 -1.671 1.00 1.00 H new ATOM 0 HE2 LYS A 11 -10.051 4.315 -0.118 1.00 1.00 H new ATOM 0 HE3 LYS A 11 -9.285 3.070 0.849 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 -9.182 5.103 2.043 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 -7.604 4.767 1.513 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 -8.534 5.944 0.718 1.00 1.00 H new ATOM 156 N CYS A 12 -5.073 0.555 1.211 1.00 1.00 N ATOM 157 CA CYS A 12 -4.321 -0.394 2.025 1.00 1.00 C ATOM 158 C CYS A 12 -5.117 -0.821 3.256 1.00 1.00 C ATOM 159 O CYS A 12 -4.546 -1.284 4.243 1.00 1.00 O ATOM 160 CB CYS A 12 -2.987 0.218 2.458 1.00 1.00 C ATOM 161 SG CYS A 12 -1.667 0.079 1.210 1.00 1.00 S ATOM 0 H CYS A 12 -5.600 1.246 1.746 1.00 1.00 H new ATOM 0 HA CYS A 12 -4.132 -1.278 1.416 1.00 1.00 H new ATOM 0 HB2 CYS A 12 -3.141 1.271 2.693 1.00 1.00 H new ATOM 0 HB3 CYS A 12 -2.657 -0.268 3.376 1.00 1.00 H new ATOM 166 N LEU A 13 -6.437 -0.667 3.193 1.00 1.00 N ATOM 167 CA LEU A 13 -7.299 -1.043 4.307 1.00 1.00 C ATOM 168 C LEU A 13 -7.345 -2.561 4.464 1.00 1.00 C ATOM 169 O LEU A 13 -6.641 -3.129 5.299 1.00 1.00 O ATOM 170 CB LEU A 13 -8.711 -0.486 4.101 1.00 1.00 C ATOM 171 CG LEU A 13 -9.748 -0.944 5.128 1.00 1.00 C ATOM 172 CD1 LEU A 13 -9.447 -0.346 6.493 1.00 1.00 C ATOM 173 CD2 LEU A 13 -11.149 -0.564 4.675 1.00 1.00 C ATOM 0 H LEU A 13 -6.930 -0.286 2.386 1.00 1.00 H new ATOM 0 HA LEU A 13 -6.885 -0.615 5.220 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -8.661 0.603 4.119 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -9.056 -0.772 3.107 1.00 1.00 H new ATOM 0 HG LEU A 13 -9.696 -2.030 5.210 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -10.195 -0.683 7.211 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -8.459 -0.668 6.821 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -9.471 0.742 6.427 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -11.874 -0.897 5.417 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -11.215 0.518 4.564 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -11.364 -1.040 3.718 1.00 1.00 H new ATOM 185 N GLY A 14 -8.174 -3.215 3.656 1.00 1.00 N ATOM 186 CA GLY A 14 -8.289 -4.656 3.721 1.00 1.00 C ATOM 187 C GLY A 14 -7.317 -5.358 2.794 1.00 1.00 C ATOM 188 O GLY A 14 -7.062 -6.553 2.940 1.00 1.00 O ATOM 0 H GLY A 14 -8.768 -2.769 2.957 1.00 1.00 H new ATOM 0 HA2 GLY A 14 -8.112 -4.986 4.745 1.00 1.00 H new ATOM 0 HA3 GLY A 14 -9.307 -4.948 3.463 1.00 1.00 H new ATOM 192 N GLU A 15 -6.780 -4.612 1.832 1.00 1.00 N ATOM 193 CA GLU A 15 -5.836 -5.152 0.864 1.00 1.00 C ATOM 194 C GLU A 15 -4.793 -6.051 1.515 1.00 1.00 C ATOM 195 O GLU A 15 -4.143 -5.670 2.489 1.00 1.00 O ATOM 196 CB GLU A 15 -5.140 -4.010 0.125 1.00 1.00 C ATOM 197 CG GLU A 15 -5.543 -3.918 -1.330 1.00 1.00 C ATOM 198 CD GLU A 15 -4.371 -4.084 -2.278 1.00 1.00 C ATOM 199 OE1 GLU A 15 -3.264 -3.615 -1.940 1.00 1.00 O ATOM 200 OE2 GLU A 15 -4.560 -4.684 -3.357 1.00 1.00 O ATOM 0 H GLU A 15 -6.987 -3.622 1.704 1.00 1.00 H new ATOM 0 HA GLU A 15 -6.404 -5.762 0.161 1.00 1.00 H new ATOM 0 HB2 GLU A 15 -5.372 -3.068 0.621 1.00 1.00 H new ATOM 0 HB3 GLU A 15 -4.061 -4.147 0.190 1.00 1.00 H new ATOM 0 HG2 GLU A 15 -6.289 -4.684 -1.544 1.00 1.00 H new ATOM 0 HG3 GLU A 15 -6.016 -2.953 -1.511 1.00 1.00 H new ATOM 207 N ASN A 16 -4.627 -7.239 0.949 1.00 1.00 N ATOM 208 CA ASN A 16 -3.651 -8.192 1.445 1.00 1.00 C ATOM 209 C ASN A 16 -2.377 -8.137 0.604 1.00 1.00 C ATOM 210 O ASN A 16 -1.396 -8.818 0.902 1.00 1.00 O ATOM 211 CB ASN A 16 -4.231 -9.608 1.427 1.00 1.00 C ATOM 212 CG ASN A 16 -3.759 -10.440 2.603 1.00 1.00 C ATOM 213 OD1 ASN A 16 -2.616 -10.896 2.638 1.00 1.00 O ATOM 214 ND2 ASN A 16 -4.640 -10.644 3.576 1.00 1.00 N ATOM 0 H ASN A 16 -5.160 -7.564 0.142 1.00 1.00 H new ATOM 0 HA ASN A 16 -3.404 -7.927 2.473 1.00 1.00 H new ATOM 0 HB2 ASN A 16 -5.320 -9.552 1.438 1.00 1.00 H new ATOM 0 HB3 ASN A 16 -3.947 -10.102 0.498 1.00 1.00 H new ATOM 0 HD21 ASN A 16 -4.379 -11.197 4.392 1.00 1.00 H new ATOM 0 HD22 ASN A 16 -5.577 -10.248 3.507 1.00 1.00 H new ATOM 221 N LYS A 17 -2.398 -7.320 -0.451 1.00 1.00 N ATOM 222 CA LYS A 17 -1.244 -7.179 -1.331 1.00 1.00 C ATOM 223 C LYS A 17 -0.107 -6.448 -0.626 1.00 1.00 C ATOM 224 O LYS A 17 -0.313 -5.806 0.404 1.00 1.00 O ATOM 225 CB LYS A 17 -1.636 -6.429 -2.605 1.00 1.00 C ATOM 226 CG LYS A 17 -2.598 -7.200 -3.494 1.00 1.00 C ATOM 227 CD LYS A 17 -1.855 -8.081 -4.486 1.00 1.00 C ATOM 228 CE LYS A 17 -1.763 -9.517 -3.995 1.00 1.00 C ATOM 229 NZ LYS A 17 -0.434 -9.815 -3.390 1.00 1.00 N ATOM 0 H LYS A 17 -3.201 -6.749 -0.714 1.00 1.00 H new ATOM 0 HA LYS A 17 -0.899 -8.178 -1.598 1.00 1.00 H new ATOM 0 HB2 LYS A 17 -2.091 -5.477 -2.331 1.00 1.00 H new ATOM 0 HB3 LYS A 17 -0.735 -6.199 -3.173 1.00 1.00 H new ATOM 0 HG2 LYS A 17 -3.251 -7.816 -2.876 1.00 1.00 H new ATOM 0 HG3 LYS A 17 -3.236 -6.501 -4.034 1.00 1.00 H new ATOM 0 HD2 LYS A 17 -2.365 -8.057 -5.449 1.00 1.00 H new ATOM 0 HD3 LYS A 17 -0.852 -7.685 -4.646 1.00 1.00 H new ATOM 0 HE2 LYS A 17 -2.546 -9.699 -3.259 1.00 1.00 H new ATOM 0 HE3 LYS A 17 -1.943 -10.197 -4.827 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 0.094 -10.460 -4.012 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 0.101 -8.931 -3.275 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 -0.568 -10.262 -2.461 1.00 1.00 H new ATOM 243 N GLN A 18 1.092 -6.549 -1.188 1.00 1.00 N ATOM 244 CA GLN A 18 2.264 -5.896 -0.615 1.00 1.00 C ATOM 245 C GLN A 18 2.792 -4.810 -1.548 1.00 1.00 C ATOM 246 O GLN A 18 2.821 -4.984 -2.766 1.00 1.00 O ATOM 247 CB GLN A 18 3.362 -6.925 -0.339 1.00 1.00 C ATOM 248 CG GLN A 18 4.443 -6.422 0.604 1.00 1.00 C ATOM 249 CD GLN A 18 5.816 -6.966 0.260 1.00 1.00 C ATOM 250 OE1 GLN A 18 6.762 -6.208 0.052 1.00 1.00 O ATOM 251 NE2 GLN A 18 5.930 -8.288 0.199 1.00 1.00 N ATOM 0 H GLN A 18 1.279 -7.077 -2.040 1.00 1.00 H new ATOM 0 HA GLN A 18 1.967 -5.430 0.325 1.00 1.00 H new ATOM 0 HB2 GLN A 18 2.910 -7.822 0.085 1.00 1.00 H new ATOM 0 HB3 GLN A 18 3.822 -7.216 -1.284 1.00 1.00 H new ATOM 0 HG2 GLN A 18 4.469 -5.333 0.572 1.00 1.00 H new ATOM 0 HG3 GLN A 18 4.189 -6.705 1.626 1.00 1.00 H new ATOM 0 HE21 GLN A 18 5.118 -8.879 0.379 1.00 1.00 H new ATOM 0 HE22 GLN A 18 6.829 -8.712 -0.028 1.00 1.00 H new ATOM 260 N CYS A 19 3.209 -3.690 -0.967 1.00 1.00 N ATOM 261 CA CYS A 19 3.737 -2.576 -1.745 1.00 1.00 C ATOM 262 C CYS A 19 5.097 -2.927 -2.344 1.00 1.00 C ATOM 263 O CYS A 19 5.497 -4.091 -2.359 1.00 1.00 O ATOM 264 CB CYS A 19 3.852 -1.326 -0.868 1.00 1.00 C ATOM 265 SG CYS A 19 2.956 0.124 -1.516 1.00 1.00 S ATOM 0 H CYS A 19 3.191 -3.530 0.040 1.00 1.00 H new ATOM 0 HA CYS A 19 3.046 -2.372 -2.563 1.00 1.00 H new ATOM 0 HB2 CYS A 19 3.474 -1.558 0.128 1.00 1.00 H new ATOM 0 HB3 CYS A 19 4.905 -1.069 -0.757 1.00 1.00 H new ATOM 270 N CYS A 20 5.802 -1.915 -2.839 1.00 1.00 N ATOM 271 CA CYS A 20 7.115 -2.119 -3.441 1.00 1.00 C ATOM 272 C CYS A 20 8.202 -2.190 -2.372 1.00 1.00 C ATOM 273 O CYS A 20 7.924 -2.068 -1.179 1.00 1.00 O ATOM 274 CB CYS A 20 7.425 -0.991 -4.429 1.00 1.00 C ATOM 275 SG CYS A 20 8.025 -1.561 -6.054 1.00 1.00 S ATOM 0 H CYS A 20 5.486 -0.945 -2.835 1.00 1.00 H new ATOM 0 HA CYS A 20 7.098 -3.068 -3.976 1.00 1.00 H new ATOM 0 HB2 CYS A 20 6.524 -0.395 -4.576 1.00 1.00 H new ATOM 0 HB3 CYS A 20 8.174 -0.333 -3.988 1.00 1.00 H new ATOM 280 N LYS A 21 9.442 -2.393 -2.809 1.00 1.00 N ATOM 281 CA LYS A 21 10.570 -2.486 -1.896 1.00 1.00 C ATOM 282 C LYS A 21 10.875 -1.131 -1.264 1.00 1.00 C ATOM 283 O LYS A 21 11.286 -0.194 -1.949 1.00 1.00 O ATOM 284 CB LYS A 21 11.806 -3.009 -2.630 1.00 1.00 C ATOM 285 CG LYS A 21 12.998 -3.251 -1.719 1.00 1.00 C ATOM 286 CD LYS A 21 12.817 -4.510 -0.887 1.00 1.00 C ATOM 287 CE LYS A 21 12.305 -4.188 0.507 1.00 1.00 C ATOM 288 NZ LYS A 21 13.418 -3.899 1.454 1.00 1.00 N ATOM 0 H LYS A 21 9.688 -2.496 -3.793 1.00 1.00 H new ATOM 0 HA LYS A 21 10.304 -3.184 -1.102 1.00 1.00 H new ATOM 0 HB2 LYS A 21 11.551 -3.940 -3.136 1.00 1.00 H new ATOM 0 HB3 LYS A 21 12.089 -2.294 -3.403 1.00 1.00 H new ATOM 0 HG2 LYS A 21 13.904 -3.337 -2.319 1.00 1.00 H new ATOM 0 HG3 LYS A 21 13.133 -2.394 -1.059 1.00 1.00 H new ATOM 0 HD2 LYS A 21 12.118 -5.180 -1.387 1.00 1.00 H new ATOM 0 HD3 LYS A 21 13.767 -5.038 -0.814 1.00 1.00 H new ATOM 0 HE2 LYS A 21 11.637 -3.328 0.459 1.00 1.00 H new ATOM 0 HE3 LYS A 21 11.718 -5.027 0.881 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 13.027 -3.684 2.394 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 14.042 -4.728 1.520 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 13.963 -3.082 1.111 1.00 1.00 H new ATOM 302 N GLY A 22 10.668 -1.035 0.045 1.00 1.00 N ATOM 303 CA GLY A 22 10.922 0.210 0.747 1.00 1.00 C ATOM 304 C GLY A 22 9.643 0.936 1.117 1.00 1.00 C ATOM 305 O GLY A 22 9.650 1.826 1.968 1.00 1.00 O ATOM 0 H GLY A 22 10.329 -1.797 0.632 1.00 1.00 H new ATOM 0 HA2 GLY A 22 11.494 0.004 1.651 1.00 1.00 H new ATOM 0 HA3 GLY A 22 11.536 0.858 0.122 1.00 1.00 H new ATOM 309 N THR A 23 8.543 0.556 0.475 1.00 1.00 N ATOM 310 CA THR A 23 7.250 1.173 0.737 1.00 1.00 C ATOM 311 C THR A 23 6.500 0.423 1.830 1.00 1.00 C ATOM 312 O THR A 23 6.867 -0.692 2.200 1.00 1.00 O ATOM 313 CB THR A 23 6.410 1.205 -0.541 1.00 1.00 C ATOM 314 OG1 THR A 23 6.701 0.089 -1.363 1.00 1.00 O ATOM 315 CG2 THR A 23 6.627 2.452 -1.371 1.00 1.00 C ATOM 0 H THR A 23 8.523 -0.179 -0.232 1.00 1.00 H new ATOM 0 HA THR A 23 7.425 2.194 1.077 1.00 1.00 H new ATOM 0 HB THR A 23 5.374 1.188 -0.203 1.00 1.00 H new ATOM 0 HG1 THR A 23 6.851 -0.700 -0.802 1.00 1.00 H new ATOM 0 HG21 THR A 23 6.001 2.409 -2.262 1.00 1.00 H new ATOM 0 HG22 THR A 23 6.362 3.331 -0.783 1.00 1.00 H new ATOM 0 HG23 THR A 23 7.674 2.515 -1.666 1.00 1.00 H new ATOM 323 N THR A 24 5.447 1.047 2.342 1.00 1.00 N ATOM 324 CA THR A 24 4.638 0.446 3.397 1.00 1.00 C ATOM 325 C THR A 24 3.182 0.892 3.292 1.00 1.00 C ATOM 326 O THR A 24 2.897 2.053 3.000 1.00 1.00 O ATOM 327 CB THR A 24 5.201 0.813 4.773 1.00 1.00 C ATOM 328 OG1 THR A 24 6.115 1.890 4.671 1.00 1.00 O ATOM 329 CG2 THR A 24 5.917 -0.334 5.451 1.00 1.00 C ATOM 0 H THR A 24 5.132 1.970 2.044 1.00 1.00 H new ATOM 0 HA THR A 24 4.674 -0.636 3.275 1.00 1.00 H new ATOM 0 HB THR A 24 4.335 1.087 5.375 1.00 1.00 H new ATOM 0 HG1 THR A 24 6.462 2.110 5.561 1.00 1.00 H new ATOM 0 HG21 THR A 24 6.291 -0.007 6.421 1.00 1.00 H new ATOM 0 HG22 THR A 24 5.224 -1.164 5.590 1.00 1.00 H new ATOM 0 HG23 THR A 24 6.752 -0.659 4.831 1.00 1.00 H new ATOM 337 N CYS A 25 2.266 -0.039 3.536 1.00 1.00 N ATOM 338 CA CYS A 25 0.838 0.255 3.472 1.00 1.00 C ATOM 339 C CYS A 25 0.410 1.126 4.649 1.00 1.00 C ATOM 340 O CYS A 25 0.887 0.950 5.770 1.00 1.00 O ATOM 341 CB CYS A 25 0.029 -1.045 3.464 1.00 1.00 C ATOM 342 SG CYS A 25 -0.588 -1.529 1.819 1.00 1.00 S ATOM 0 H CYS A 25 2.487 -1.004 3.780 1.00 1.00 H new ATOM 0 HA CYS A 25 0.645 0.801 2.549 1.00 1.00 H new ATOM 0 HB2 CYS A 25 0.650 -1.849 3.858 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -0.819 -0.937 4.141 1.00 1.00 H new ATOM 347 N MET A 26 -0.492 2.067 4.387 1.00 1.00 N ATOM 348 CA MET A 26 -0.984 2.963 5.424 1.00 1.00 C ATOM 349 C MET A 26 -2.353 2.513 5.924 1.00 1.00 C ATOM 350 O MET A 26 -3.306 2.414 5.151 1.00 1.00 O ATOM 351 CB MET A 26 -1.064 4.390 4.886 1.00 1.00 C ATOM 352 CG MET A 26 -0.707 5.450 5.915 1.00 1.00 C ATOM 353 SD MET A 26 0.084 6.894 5.179 1.00 1.00 S ATOM 354 CE MET A 26 1.803 6.396 5.219 1.00 1.00 C ATOM 0 H MET A 26 -0.896 2.228 3.464 1.00 1.00 H new ATOM 0 HA MET A 26 -0.288 2.936 6.262 1.00 1.00 H new ATOM 0 HB2 MET A 26 -0.394 4.485 4.031 1.00 1.00 H new ATOM 0 HB3 MET A 26 -2.074 4.576 4.521 1.00 1.00 H new ATOM 0 HG2 MET A 26 -1.611 5.763 6.438 1.00 1.00 H new ATOM 0 HG3 MET A 26 -0.041 5.017 6.661 1.00 1.00 H new ATOM 0 HE1 MET A 26 2.407 7.130 4.685 1.00 1.00 H new ATOM 0 HE2 MET A 26 2.139 6.333 6.254 1.00 1.00 H new ATOM 0 HE3 MET A 26 1.911 5.422 4.742 1.00 1.00 H new ATOM 364 N PHE A 27 -2.440 2.231 7.219 1.00 1.00 N ATOM 365 CA PHE A 27 -3.679 1.779 7.826 1.00 1.00 C ATOM 366 C PHE A 27 -4.673 2.921 7.991 1.00 1.00 C ATOM 367 O PHE A 27 -5.818 2.836 7.548 1.00 1.00 O ATOM 368 CB PHE A 27 -3.392 1.146 9.186 1.00 1.00 C ATOM 369 CG PHE A 27 -4.275 -0.027 9.504 1.00 1.00 C ATOM 370 CD1 PHE A 27 -4.327 -1.122 8.657 1.00 1.00 C ATOM 371 CD2 PHE A 27 -5.055 -0.033 10.649 1.00 1.00 C ATOM 372 CE1 PHE A 27 -5.139 -2.202 8.947 1.00 1.00 C ATOM 373 CE2 PHE A 27 -5.869 -1.110 10.945 1.00 1.00 C ATOM 374 CZ PHE A 27 -5.911 -2.196 10.092 1.00 1.00 C ATOM 0 H PHE A 27 -1.659 2.309 7.870 1.00 1.00 H new ATOM 0 HA PHE A 27 -4.124 1.039 7.161 1.00 1.00 H new ATOM 0 HB2 PHE A 27 -2.351 0.824 9.215 1.00 1.00 H new ATOM 0 HB3 PHE A 27 -3.514 1.902 9.962 1.00 1.00 H new ATOM 0 HD1 PHE A 27 -3.726 -1.132 7.760 1.00 1.00 H new ATOM 0 HD2 PHE A 27 -5.027 0.814 11.318 1.00 1.00 H new ATOM 0 HE1 PHE A 27 -5.170 -3.050 8.279 1.00 1.00 H new ATOM 0 HE2 PHE A 27 -6.471 -1.103 11.842 1.00 1.00 H new ATOM 0 HZ PHE A 27 -6.547 -3.039 10.320 1.00 1.00 H new ATOM 384 N TYR A 28 -4.225 3.980 8.643 1.00 1.00 N ATOM 385 CA TYR A 28 -5.070 5.144 8.894 1.00 1.00 C ATOM 386 C TYR A 28 -5.372 5.900 7.604 1.00 1.00 C ATOM 387 O TYR A 28 -6.515 6.282 7.353 1.00 1.00 O ATOM 388 CB TYR A 28 -4.396 6.080 9.898 1.00 1.00 C ATOM 389 CG TYR A 28 -3.024 6.546 9.466 1.00 1.00 C ATOM 390 CD1 TYR A 28 -2.873 7.667 8.659 1.00 1.00 C ATOM 391 CD2 TYR A 28 -1.881 5.866 9.866 1.00 1.00 C ATOM 392 CE1 TYR A 28 -1.621 8.096 8.262 1.00 1.00 C ATOM 393 CE2 TYR A 28 -0.625 6.289 9.473 1.00 1.00 C ATOM 394 CZ TYR A 28 -0.500 7.404 8.672 1.00 1.00 C ATOM 395 OH TYR A 28 0.748 7.828 8.278 1.00 1.00 O ATOM 0 H TYR A 28 -3.277 4.062 9.011 1.00 1.00 H new ATOM 0 HA TYR A 28 -6.013 4.788 9.308 1.00 1.00 H new ATOM 0 HB2 TYR A 28 -5.033 6.950 10.055 1.00 1.00 H new ATOM 0 HB3 TYR A 28 -4.312 5.570 10.857 1.00 1.00 H new ATOM 0 HD1 TYR A 28 -3.748 8.212 8.337 1.00 1.00 H new ATOM 0 HD2 TYR A 28 -1.975 4.993 10.494 1.00 1.00 H new ATOM 0 HE1 TYR A 28 -1.520 8.969 7.634 1.00 1.00 H new ATOM 0 HE2 TYR A 28 0.254 5.749 9.792 1.00 1.00 H new ATOM 0 HH TYR A 28 0.831 7.741 7.305 1.00 1.00 H new ATOM 405 N ALA A 29 -4.349 6.102 6.784 1.00 1.00 N ATOM 406 CA ALA A 29 -4.518 6.798 5.517 1.00 1.00 C ATOM 407 C ALA A 29 -5.289 5.929 4.536 1.00 1.00 C ATOM 408 O ALA A 29 -5.905 6.426 3.593 1.00 1.00 O ATOM 409 CB ALA A 29 -3.167 7.191 4.938 1.00 1.00 C ATOM 0 H ALA A 29 -3.395 5.794 6.974 1.00 1.00 H new ATOM 0 HA ALA A 29 -5.090 7.709 5.696 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -3.314 7.710 3.991 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -2.650 7.849 5.636 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -2.568 6.296 4.772 1.00 1.00 H new ATOM 415 N ASN A 30 -5.246 4.622 4.770 1.00 1.00 N ATOM 416 CA ASN A 30 -5.938 3.667 3.913 1.00 1.00 C ATOM 417 C ASN A 30 -5.405 3.736 2.485 1.00 1.00 C ATOM 418 O ASN A 30 -6.169 3.887 1.531 1.00 1.00 O ATOM 419 CB ASN A 30 -7.444 3.937 3.925 1.00 1.00 C ATOM 420 CG ASN A 30 -8.229 2.869 3.191 1.00 1.00 C ATOM 421 OD1 ASN A 30 -7.655 1.928 2.642 1.00 1.00 O ATOM 422 ND2 ASN A 30 -9.549 3.009 3.177 1.00 1.00 N ATOM 0 H ASN A 30 -4.738 4.199 5.547 1.00 1.00 H new ATOM 0 HA ASN A 30 -5.755 2.665 4.302 1.00 1.00 H new ATOM 0 HB2 ASN A 30 -7.792 3.995 4.956 1.00 1.00 H new ATOM 0 HB3 ASN A 30 -7.640 4.907 3.468 1.00 1.00 H new ATOM 0 HD21 ASN A 30 -10.130 2.321 2.698 1.00 1.00 H new ATOM 0 HD22 ASN A 30 -9.982 3.805 3.645 1.00 1.00 H new ATOM 429 N ARG A 31 -4.088 3.624 2.346 1.00 1.00 N ATOM 430 CA ARG A 31 -3.450 3.672 1.038 1.00 1.00 C ATOM 431 C ARG A 31 -1.967 3.339 1.147 1.00 1.00 C ATOM 432 O ARG A 31 -1.357 3.513 2.202 1.00 1.00 O ATOM 433 CB ARG A 31 -3.631 5.054 0.407 1.00 1.00 C ATOM 434 CG ARG A 31 -3.385 6.201 1.375 1.00 1.00 C ATOM 435 CD ARG A 31 -2.461 7.250 0.776 1.00 1.00 C ATOM 436 NE ARG A 31 -2.962 7.756 -0.500 1.00 1.00 N ATOM 437 CZ ARG A 31 -2.308 8.633 -1.258 1.00 1.00 C ATOM 438 NH1 ARG A 31 -1.127 9.102 -0.873 1.00 1.00 N ATOM 439 NH2 ARG A 31 -2.835 9.042 -2.404 1.00 1.00 N ATOM 0 H ARG A 31 -3.442 3.499 3.125 1.00 1.00 H new ATOM 0 HA ARG A 31 -3.926 2.927 0.401 1.00 1.00 H new ATOM 0 HB2 ARG A 31 -2.950 5.150 -0.438 1.00 1.00 H new ATOM 0 HB3 ARG A 31 -4.644 5.134 0.011 1.00 1.00 H new ATOM 0 HG2 ARG A 31 -4.336 6.663 1.642 1.00 1.00 H new ATOM 0 HG3 ARG A 31 -2.949 5.814 2.296 1.00 1.00 H new ATOM 0 HD2 ARG A 31 -2.350 8.078 1.476 1.00 1.00 H new ATOM 0 HD3 ARG A 31 -1.470 6.820 0.632 1.00 1.00 H new ATOM 0 HE ARG A 31 -3.866 7.417 -0.829 1.00 1.00 H new ATOM 0 HH11 ARG A 31 -0.717 8.790 0.007 1.00 1.00 H new ATOM 0 HH12 ARG A 31 -0.630 9.774 -1.458 1.00 1.00 H new ATOM 0 HH21 ARG A 31 -3.742 8.685 -2.705 1.00 1.00 H new ATOM 0 HH22 ARG A 31 -2.334 9.714 -2.985 1.00 1.00 H new ATOM 453 N CYS A 32 -1.392 2.856 0.050 1.00 1.00 N ATOM 454 CA CYS A 32 0.017 2.497 0.023 1.00 1.00 C ATOM 455 C CYS A 32 0.892 3.739 -0.113 1.00 1.00 C ATOM 456 O CYS A 32 0.576 4.653 -0.875 1.00 1.00 O ATOM 457 CB CYS A 32 0.286 1.529 -1.130 1.00 1.00 C ATOM 458 SG CYS A 32 1.134 -0.006 -0.631 1.00 1.00 S ATOM 0 H CYS A 32 -1.883 2.705 -0.831 1.00 1.00 H new ATOM 0 HA CYS A 32 0.267 2.008 0.964 1.00 1.00 H new ATOM 0 HB2 CYS A 32 -0.662 1.271 -1.602 1.00 1.00 H new ATOM 0 HB3 CYS A 32 0.889 2.036 -1.883 1.00 1.00 H new ATOM 463 N VAL A 33 1.994 3.764 0.629 1.00 1.00 N ATOM 464 CA VAL A 33 2.916 4.883 0.596 1.00 1.00 C ATOM 465 C VAL A 33 4.316 4.446 1.016 1.00 1.00 C ATOM 466 O VAL A 33 4.485 3.410 1.658 1.00 1.00 O ATOM 467 CB VAL A 33 2.448 6.034 1.510 1.00 1.00 C ATOM 468 CG1 VAL A 33 3.344 7.251 1.342 1.00 1.00 C ATOM 469 CG2 VAL A 33 0.997 6.391 1.225 1.00 1.00 C ATOM 0 H VAL A 33 2.268 3.014 1.264 1.00 1.00 H new ATOM 0 HA VAL A 33 2.941 5.243 -0.433 1.00 1.00 H new ATOM 0 HB VAL A 33 2.519 5.698 2.545 1.00 1.00 H new ATOM 0 HG11 VAL A 33 2.997 8.051 1.995 1.00 1.00 H new ATOM 0 HG12 VAL A 33 4.369 6.987 1.604 1.00 1.00 H new ATOM 0 HG13 VAL A 33 3.310 7.588 0.306 1.00 1.00 H new ATOM 0 HG21 VAL A 33 0.687 7.205 1.880 1.00 1.00 H new ATOM 0 HG22 VAL A 33 0.897 6.704 0.186 1.00 1.00 H new ATOM 0 HG23 VAL A 33 0.366 5.520 1.404 1.00 1.00 H new ATOM 479 N GLY A 34 5.317 5.239 0.647 1.00 1.00 N ATOM 480 CA GLY A 34 6.687 4.909 0.994 1.00 1.00 C ATOM 481 C GLY A 34 6.894 4.743 2.479 1.00 1.00 C ATOM 482 O GLY A 34 5.941 4.628 3.249 1.00 1.00 O ATOM 0 H GLY A 34 5.204 6.102 0.115 1.00 1.00 H new ATOM 0 HA2 GLY A 34 6.973 3.987 0.487 1.00 1.00 H new ATOM 0 HA3 GLY A 34 7.348 5.693 0.626 1.00 1.00 H new ATOM 486 N VAL A 35 8.155 4.731 2.868 1.00 1.00 N ATOM 487 CA VAL A 35 8.530 4.579 4.269 1.00 1.00 C ATOM 488 C VAL A 35 8.073 5.779 5.093 1.00 1.00 C ATOM 489 O VAL A 35 8.232 5.740 6.331 1.00 1.00 O ATOM 490 CB VAL A 35 10.054 4.406 4.426 1.00 1.00 C ATOM 491 CG1 VAL A 35 10.791 5.631 3.906 1.00 1.00 C ATOM 492 CG2 VAL A 35 10.416 4.132 5.879 1.00 1.00 C ATOM 493 OXT VAL A 35 7.560 6.747 4.493 1.00 1.00 O ATOM 0 H VAL A 35 8.946 4.825 2.231 1.00 1.00 H new ATOM 0 HA VAL A 35 8.032 3.682 4.637 1.00 1.00 H new ATOM 0 HB VAL A 35 10.364 3.547 3.831 1.00 1.00 H new ATOM 0 HG11 VAL A 35 11.865 5.488 4.026 1.00 1.00 H new ATOM 0 HG12 VAL A 35 10.560 5.774 2.850 1.00 1.00 H new ATOM 0 HG13 VAL A 35 10.477 6.510 4.468 1.00 1.00 H new ATOM 0 HG21 VAL A 35 11.496 4.013 5.969 1.00 1.00 H new ATOM 0 HG22 VAL A 35 10.090 4.967 6.499 1.00 1.00 H new ATOM 0 HG23 VAL A 35 9.922 3.219 6.211 1.00 1.00 H new TER 503 VAL A 35