USER MOD reduce.3.24.130724 H: found=0, std=0, add=255, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 250 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 HIS : no HD1:sc= -0.413 K(o=-0.41,f=-1.1) USER MOD Single : A 1 HIS N :NH3+ 180:sc= -0.113 (180deg=-0.113) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0.495 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-8.1e-05) USER MOD Single : A 14 SER OG : rot -82:sc= 1.28 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.17 K(o=0.17,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -18.769 -3.261 -8.401 1.00 0.00 N ATOM 2 CA HIS A 1 -19.860 -3.225 -7.374 1.00 0.00 C ATOM 3 C HIS A 1 -19.307 -2.912 -5.971 1.00 0.00 C ATOM 4 O HIS A 1 -20.053 -2.590 -5.067 1.00 0.00 O ATOM 5 CB HIS A 1 -20.507 -4.621 -7.411 1.00 0.00 C ATOM 6 CG HIS A 1 -19.579 -5.648 -6.809 1.00 0.00 C ATOM 7 ND1 HIS A 1 -19.521 -5.884 -5.444 1.00 0.00 N ATOM 8 CD2 HIS A 1 -18.671 -6.508 -7.376 1.00 0.00 C ATOM 9 CE1 HIS A 1 -18.606 -6.849 -5.238 1.00 0.00 C ATOM 10 NE2 HIS A 1 -18.057 -7.265 -6.382 1.00 0.00 N ATOM 0 H1 HIS A 1 -19.177 -3.474 -9.334 1.00 0.00 H new ATOM 0 H2 HIS A 1 -18.293 -2.337 -8.434 1.00 0.00 H new ATOM 0 H3 HIS A 1 -18.079 -3.997 -8.149 1.00 0.00 H new ATOM 0 HA HIS A 1 -20.581 -2.437 -7.592 1.00 0.00 H new ATOM 0 HB2 HIS A 1 -21.449 -4.607 -6.862 1.00 0.00 H new ATOM 0 HB3 HIS A 1 -20.742 -4.893 -8.440 1.00 0.00 H new ATOM 0 HD2 HIS A 1 -18.464 -6.585 -8.433 1.00 0.00 H new ATOM 0 HE1 HIS A 1 -18.347 -7.240 -4.265 1.00 0.00 H new ATOM 0 HE2 HIS A 1 -17.342 -7.983 -6.502 1.00 0.00 H new ATOM 17 N SER A 2 -18.015 -3.002 -5.786 1.00 0.00 N ATOM 18 CA SER A 2 -17.416 -2.710 -4.446 1.00 0.00 C ATOM 19 C SER A 2 -16.468 -1.504 -4.526 1.00 0.00 C ATOM 20 O SER A 2 -15.584 -1.345 -3.704 1.00 0.00 O ATOM 21 CB SER A 2 -16.641 -3.977 -4.079 1.00 0.00 C ATOM 22 OG SER A 2 -15.723 -4.288 -5.124 1.00 0.00 O ATOM 0 H SER A 2 -17.345 -3.266 -6.508 1.00 0.00 H new ATOM 0 HA SER A 2 -18.175 -2.460 -3.704 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.106 -3.831 -3.141 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.331 -4.807 -3.926 1.00 0.00 H new ATOM 0 HG SER A 2 -15.224 -5.098 -4.891 1.00 0.00 H new ATOM 28 N VAL A 3 -16.643 -0.652 -5.509 1.00 0.00 N ATOM 29 CA VAL A 3 -15.752 0.543 -5.642 1.00 0.00 C ATOM 30 C VAL A 3 -16.598 1.813 -5.800 1.00 0.00 C ATOM 31 O VAL A 3 -16.502 2.524 -6.784 1.00 0.00 O ATOM 32 CB VAL A 3 -14.903 0.282 -6.896 1.00 0.00 C ATOM 33 CG1 VAL A 3 -13.955 -0.894 -6.641 1.00 0.00 C ATOM 34 CG2 VAL A 3 -15.806 -0.048 -8.091 1.00 0.00 C ATOM 0 H VAL A 3 -17.365 -0.734 -6.225 1.00 0.00 H new ATOM 0 HA VAL A 3 -15.123 0.692 -4.764 1.00 0.00 H new ATOM 0 HB VAL A 3 -14.326 1.179 -7.120 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -13.354 -1.077 -7.532 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -13.299 -0.658 -5.803 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -14.536 -1.786 -6.406 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -15.191 -0.231 -8.972 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -16.394 -0.938 -7.868 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -16.476 0.790 -8.283 1.00 0.00 H new ATOM 44 N SER A 4 -17.432 2.095 -4.833 1.00 0.00 N ATOM 45 CA SER A 4 -18.301 3.310 -4.909 1.00 0.00 C ATOM 46 C SER A 4 -18.301 4.053 -3.567 1.00 0.00 C ATOM 47 O SER A 4 -17.477 4.914 -3.324 1.00 0.00 O ATOM 48 CB SER A 4 -19.698 2.773 -5.240 1.00 0.00 C ATOM 49 OG SER A 4 -20.047 1.749 -4.312 1.00 0.00 O ATOM 0 H SER A 4 -17.550 1.534 -3.989 1.00 0.00 H new ATOM 0 HA SER A 4 -17.953 4.024 -5.656 1.00 0.00 H new ATOM 0 HB2 SER A 4 -20.429 3.581 -5.198 1.00 0.00 H new ATOM 0 HB3 SER A 4 -19.716 2.379 -6.256 1.00 0.00 H new ATOM 0 HG SER A 4 -20.941 1.407 -4.523 1.00 0.00 H new ATOM 55 N HIS A 5 -19.219 3.719 -2.702 1.00 0.00 N ATOM 56 CA HIS A 5 -19.294 4.387 -1.366 1.00 0.00 C ATOM 57 C HIS A 5 -18.853 3.415 -0.262 1.00 0.00 C ATOM 58 O HIS A 5 -19.356 3.447 0.846 1.00 0.00 O ATOM 59 CB HIS A 5 -20.766 4.768 -1.196 1.00 0.00 C ATOM 60 CG HIS A 5 -20.866 6.169 -0.657 1.00 0.00 C ATOM 61 ND1 HIS A 5 -21.403 7.210 -1.399 1.00 0.00 N ATOM 62 CD2 HIS A 5 -20.502 6.717 0.548 1.00 0.00 C ATOM 63 CE1 HIS A 5 -21.347 8.320 -0.640 1.00 0.00 C ATOM 64 NE2 HIS A 5 -20.807 8.075 0.556 1.00 0.00 N ATOM 0 H HIS A 5 -19.929 3.005 -2.863 1.00 0.00 H new ATOM 0 HA HIS A 5 -18.640 5.256 -1.300 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -21.283 4.698 -2.153 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -21.257 4.071 -0.517 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -20.048 6.177 1.365 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -21.696 9.291 -0.960 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -20.651 8.740 1.313 1.00 0.00 H new ATOM 72 N ALA A 6 -17.912 2.554 -0.561 1.00 0.00 N ATOM 73 CA ALA A 6 -17.423 1.573 0.453 1.00 0.00 C ATOM 74 C ALA A 6 -16.040 1.055 0.042 1.00 0.00 C ATOM 75 O ALA A 6 -15.901 -0.043 -0.464 1.00 0.00 O ATOM 76 CB ALA A 6 -18.456 0.443 0.446 1.00 0.00 C ATOM 0 H ALA A 6 -17.459 2.489 -1.472 1.00 0.00 H new ATOM 0 HA ALA A 6 -17.319 2.010 1.446 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -18.166 -0.320 1.168 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -19.434 0.843 0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -18.505 0.001 -0.549 1.00 0.00 H new ATOM 82 N ARG A 7 -15.018 1.848 0.248 1.00 0.00 N ATOM 83 CA ARG A 7 -13.635 1.421 -0.134 1.00 0.00 C ATOM 84 C ARG A 7 -12.750 1.300 1.119 1.00 0.00 C ATOM 85 O ARG A 7 -11.931 2.163 1.380 1.00 0.00 O ATOM 86 CB ARG A 7 -13.117 2.535 -1.054 1.00 0.00 C ATOM 87 CG ARG A 7 -13.900 2.535 -2.373 1.00 0.00 C ATOM 88 CD ARG A 7 -14.739 3.815 -2.472 1.00 0.00 C ATOM 89 NE ARG A 7 -14.087 4.636 -3.537 1.00 0.00 N ATOM 90 CZ ARG A 7 -14.082 5.942 -3.450 1.00 0.00 C ATOM 91 NH1 ARG A 7 -15.201 6.609 -3.578 1.00 0.00 N ATOM 92 NH2 ARG A 7 -12.960 6.576 -3.233 1.00 0.00 N ATOM 0 H ARG A 7 -15.082 2.776 0.666 1.00 0.00 H new ATOM 0 HA ARG A 7 -13.623 0.448 -0.625 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -13.220 3.502 -0.561 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -12.055 2.389 -1.252 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -13.212 2.473 -3.216 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -14.547 1.659 -2.424 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -15.773 3.588 -2.729 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -14.757 4.348 -1.521 1.00 0.00 H new ATOM 0 HE ARG A 7 -13.645 4.177 -4.334 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -16.075 6.111 -3.745 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -15.199 7.627 -3.510 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -12.090 6.053 -3.132 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -12.954 7.594 -3.165 1.00 0.00 H new ATOM 106 N PRO A 8 -12.939 0.229 1.856 1.00 0.00 N ATOM 107 CA PRO A 8 -12.141 0.003 3.090 1.00 0.00 C ATOM 108 C PRO A 8 -10.698 -0.397 2.741 1.00 0.00 C ATOM 109 O PRO A 8 -9.756 0.049 3.369 1.00 0.00 O ATOM 110 CB PRO A 8 -12.872 -1.143 3.786 1.00 0.00 C ATOM 111 CG PRO A 8 -13.593 -1.867 2.694 1.00 0.00 C ATOM 112 CD PRO A 8 -13.901 -0.857 1.618 1.00 0.00 C ATOM 0 HA PRO A 8 -12.061 0.893 3.714 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -12.172 -1.802 4.300 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -13.568 -0.768 4.537 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.979 -2.676 2.298 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -14.510 -2.319 3.072 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.780 -1.286 0.623 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -14.929 -0.501 1.688 1.00 0.00 H new ATOM 120 N ARG A 9 -10.522 -1.238 1.749 1.00 0.00 N ATOM 121 CA ARG A 9 -9.144 -1.674 1.360 1.00 0.00 C ATOM 122 C ARG A 9 -8.800 -1.216 -0.069 1.00 0.00 C ATOM 123 O ARG A 9 -7.643 -1.157 -0.438 1.00 0.00 O ATOM 124 CB ARG A 9 -9.174 -3.202 1.445 1.00 0.00 C ATOM 125 CG ARG A 9 -8.672 -3.651 2.822 1.00 0.00 C ATOM 126 CD ARG A 9 -9.858 -3.798 3.783 1.00 0.00 C ATOM 127 NE ARG A 9 -9.257 -3.759 5.149 1.00 0.00 N ATOM 128 CZ ARG A 9 -9.565 -2.792 5.973 1.00 0.00 C ATOM 129 NH1 ARG A 9 -9.091 -1.589 5.773 1.00 0.00 N ATOM 130 NH2 ARG A 9 -10.345 -3.029 6.995 1.00 0.00 N ATOM 0 H ARG A 9 -11.275 -1.641 1.192 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.384 -1.240 2.010 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -10.188 -3.565 1.280 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.550 -3.632 0.661 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.143 -4.600 2.735 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.961 -2.924 3.215 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.579 -2.992 3.646 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.390 -4.734 3.613 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.605 -4.488 5.440 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.482 -1.407 4.975 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.330 -0.833 6.415 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.713 -3.968 7.149 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -10.586 -2.275 7.638 1.00 0.00 H new ATOM 144 N TRP A 10 -9.792 -0.897 -0.875 1.00 0.00 N ATOM 145 CA TRP A 10 -9.515 -0.447 -2.278 1.00 0.00 C ATOM 146 C TRP A 10 -8.540 0.738 -2.279 1.00 0.00 C ATOM 147 O TRP A 10 -7.487 0.682 -2.889 1.00 0.00 O ATOM 148 CB TRP A 10 -10.879 -0.031 -2.842 1.00 0.00 C ATOM 149 CG TRP A 10 -10.848 -0.098 -4.337 1.00 0.00 C ATOM 150 CD1 TRP A 10 -11.256 0.890 -5.166 1.00 0.00 C ATOM 151 CD2 TRP A 10 -10.394 -1.189 -5.192 1.00 0.00 C ATOM 152 NE1 TRP A 10 -11.081 0.476 -6.475 1.00 0.00 N ATOM 153 CE2 TRP A 10 -10.552 -0.798 -6.542 1.00 0.00 C ATOM 154 CE3 TRP A 10 -9.865 -2.466 -4.930 1.00 0.00 C ATOM 155 CZ2 TRP A 10 -10.199 -1.643 -7.595 1.00 0.00 C ATOM 156 CZ3 TRP A 10 -9.509 -3.319 -5.987 1.00 0.00 C ATOM 157 CH2 TRP A 10 -9.675 -2.909 -7.316 1.00 0.00 C ATOM 0 H TRP A 10 -10.779 -0.930 -0.620 1.00 0.00 H new ATOM 0 HA TRP A 10 -9.052 -1.231 -2.877 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -11.659 -0.687 -2.455 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -11.124 0.981 -2.519 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -11.653 1.846 -4.857 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -11.314 1.043 -7.291 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -9.732 -2.792 -3.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -10.330 -1.322 -8.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -9.105 -4.297 -5.774 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -9.399 -3.570 -8.124 1.00 0.00 H new ATOM 168 N PHE A 11 -8.871 1.801 -1.587 1.00 0.00 N ATOM 169 CA PHE A 11 -7.953 2.981 -1.534 1.00 0.00 C ATOM 170 C PHE A 11 -6.722 2.638 -0.684 1.00 0.00 C ATOM 171 O PHE A 11 -5.622 3.068 -0.972 1.00 0.00 O ATOM 172 CB PHE A 11 -8.766 4.103 -0.879 1.00 0.00 C ATOM 173 CG PHE A 11 -8.127 5.437 -1.186 1.00 0.00 C ATOM 174 CD1 PHE A 11 -8.496 6.144 -2.337 1.00 0.00 C ATOM 175 CD2 PHE A 11 -7.163 5.967 -0.319 1.00 0.00 C ATOM 176 CE1 PHE A 11 -7.901 7.380 -2.621 1.00 0.00 C ATOM 177 CE2 PHE A 11 -6.569 7.203 -0.602 1.00 0.00 C ATOM 178 CZ PHE A 11 -6.938 7.909 -1.754 1.00 0.00 C ATOM 0 H PHE A 11 -9.737 1.902 -1.057 1.00 0.00 H new ATOM 0 HA PHE A 11 -7.596 3.274 -2.521 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -9.791 4.086 -1.248 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -8.813 3.950 0.199 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.239 5.736 -3.006 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -6.878 5.422 0.569 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.185 7.925 -3.509 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.827 7.612 0.068 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.479 8.862 -1.973 1.00 0.00 H new ATOM 188 N TRP A 12 -6.906 1.852 0.351 1.00 0.00 N ATOM 189 CA TRP A 12 -5.757 1.455 1.226 1.00 0.00 C ATOM 190 C TRP A 12 -4.711 0.668 0.422 1.00 0.00 C ATOM 191 O TRP A 12 -3.549 0.625 0.782 1.00 0.00 O ATOM 192 CB TRP A 12 -6.392 0.584 2.322 1.00 0.00 C ATOM 193 CG TRP A 12 -5.334 -0.169 3.065 1.00 0.00 C ATOM 194 CD1 TRP A 12 -4.993 -1.458 2.832 1.00 0.00 C ATOM 195 CD2 TRP A 12 -4.480 0.291 4.150 1.00 0.00 C ATOM 196 NE1 TRP A 12 -3.985 -1.816 3.704 1.00 0.00 N ATOM 197 CE2 TRP A 12 -3.633 -0.773 4.538 1.00 0.00 C ATOM 198 CE3 TRP A 12 -4.360 1.516 4.830 1.00 0.00 C ATOM 199 CZ2 TRP A 12 -2.699 -0.627 5.563 1.00 0.00 C ATOM 200 CZ3 TRP A 12 -3.422 1.667 5.863 1.00 0.00 C ATOM 201 CH2 TRP A 12 -2.592 0.597 6.229 1.00 0.00 C ATOM 0 H TRP A 12 -7.809 1.466 0.628 1.00 0.00 H new ATOM 0 HA TRP A 12 -5.230 2.314 1.642 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.955 1.211 3.013 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -7.100 -0.115 1.876 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.437 -2.101 2.086 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.552 -2.739 3.729 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -4.994 2.346 4.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -2.063 -1.454 5.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -3.339 2.612 6.379 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.871 0.719 7.024 1.00 0.00 H new ATOM 212 N PHE A 13 -5.113 0.060 -0.663 1.00 0.00 N ATOM 213 CA PHE A 13 -4.144 -0.713 -1.501 1.00 0.00 C ATOM 214 C PHE A 13 -3.028 0.205 -2.000 1.00 0.00 C ATOM 215 O PHE A 13 -1.874 -0.179 -2.066 1.00 0.00 O ATOM 216 CB PHE A 13 -4.965 -1.256 -2.672 1.00 0.00 C ATOM 217 CG PHE A 13 -4.169 -2.316 -3.396 1.00 0.00 C ATOM 218 CD1 PHE A 13 -4.113 -3.619 -2.886 1.00 0.00 C ATOM 219 CD2 PHE A 13 -3.488 -1.995 -4.575 1.00 0.00 C ATOM 220 CE1 PHE A 13 -3.376 -4.602 -3.558 1.00 0.00 C ATOM 221 CE2 PHE A 13 -2.750 -2.978 -5.247 1.00 0.00 C ATOM 222 CZ PHE A 13 -2.694 -4.281 -4.739 1.00 0.00 C ATOM 0 H PHE A 13 -6.073 0.064 -1.007 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.665 -1.516 -0.941 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.903 -1.675 -2.309 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.221 -0.447 -3.357 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.638 -3.866 -1.975 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.531 -0.990 -4.967 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.333 -5.607 -3.166 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.224 -2.730 -6.157 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.125 -5.039 -5.257 1.00 0.00 H new ATOM 232 N SER A 14 -3.364 1.423 -2.333 1.00 0.00 N ATOM 233 CA SER A 14 -2.325 2.387 -2.810 1.00 0.00 C ATOM 234 C SER A 14 -1.366 2.714 -1.662 1.00 0.00 C ATOM 235 O SER A 14 -0.183 2.913 -1.864 1.00 0.00 O ATOM 236 CB SER A 14 -3.091 3.634 -3.270 1.00 0.00 C ATOM 237 OG SER A 14 -3.648 4.303 -2.145 1.00 0.00 O ATOM 0 H SER A 14 -4.313 1.794 -2.296 1.00 0.00 H new ATOM 0 HA SER A 14 -1.724 1.983 -3.624 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.421 4.305 -3.808 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.882 3.350 -3.964 1.00 0.00 H new ATOM 0 HG SER A 14 -4.491 3.871 -1.892 1.00 0.00 H new ATOM 243 N LEU A 15 -1.872 2.734 -0.455 1.00 0.00 N ATOM 244 CA LEU A 15 -1.001 3.011 0.728 1.00 0.00 C ATOM 245 C LEU A 15 -0.027 1.843 0.916 1.00 0.00 C ATOM 246 O LEU A 15 1.143 2.038 1.189 1.00 0.00 O ATOM 247 CB LEU A 15 -1.960 3.117 1.920 1.00 0.00 C ATOM 248 CG LEU A 15 -1.215 3.679 3.135 1.00 0.00 C ATOM 249 CD1 LEU A 15 -2.192 4.468 4.011 1.00 0.00 C ATOM 250 CD2 LEU A 15 -0.618 2.527 3.948 1.00 0.00 C ATOM 0 H LEU A 15 -2.855 2.570 -0.237 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.409 3.919 0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.801 3.763 1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.372 2.136 2.156 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.415 4.337 2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.663 4.868 4.876 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.617 5.289 3.433 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.992 3.809 4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.088 2.928 4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.417 1.868 4.286 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.077 1.964 3.325 1.00 0.00 H new ATOM 262 N LEU A 16 -0.505 0.628 0.754 1.00 0.00 N ATOM 263 CA LEU A 16 0.387 -0.565 0.900 1.00 0.00 C ATOM 264 C LEU A 16 1.504 -0.506 -0.141 1.00 0.00 C ATOM 265 O LEU A 16 2.652 -0.784 0.148 1.00 0.00 O ATOM 266 CB LEU A 16 -0.521 -1.777 0.661 1.00 0.00 C ATOM 267 CG LEU A 16 0.166 -3.050 1.167 1.00 0.00 C ATOM 268 CD1 LEU A 16 -0.822 -3.867 2.001 1.00 0.00 C ATOM 269 CD2 LEU A 16 0.638 -3.885 -0.026 1.00 0.00 C ATOM 0 H LEU A 16 -1.476 0.414 0.527 1.00 0.00 H new ATOM 0 HA LEU A 16 0.865 -0.612 1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.472 -1.637 1.175 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.744 -1.871 -0.402 1.00 0.00 H new ATOM 0 HG LEU A 16 1.024 -2.778 1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.333 -4.772 2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.158 -3.274 2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.680 -4.138 1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.127 -4.790 0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.219 -4.156 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.343 -3.304 -0.620 1.00 0.00 H new ATOM 281 N LEU A 17 1.171 -0.115 -1.342 1.00 0.00 N ATOM 282 CA LEU A 17 2.205 0.004 -2.416 1.00 0.00 C ATOM 283 C LEU A 17 3.235 1.058 -2.001 1.00 0.00 C ATOM 284 O LEU A 17 4.422 0.916 -2.230 1.00 0.00 O ATOM 285 CB LEU A 17 1.439 0.450 -3.666 1.00 0.00 C ATOM 286 CG LEU A 17 2.247 0.104 -4.920 1.00 0.00 C ATOM 287 CD1 LEU A 17 1.302 -0.379 -6.022 1.00 0.00 C ATOM 288 CD2 LEU A 17 2.998 1.348 -5.403 1.00 0.00 C ATOM 0 H LEU A 17 0.223 0.129 -1.629 1.00 0.00 H new ATOM 0 HA LEU A 17 2.742 -0.928 -2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.466 -0.041 -3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.253 1.523 -3.626 1.00 0.00 H new ATOM 0 HG LEU A 17 2.961 -0.684 -4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.879 -0.625 -6.914 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.767 -1.265 -5.680 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.586 0.408 -6.258 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.573 1.102 -6.296 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.283 2.136 -5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.673 1.692 -4.620 1.00 0.00 H new ATOM 300 N LEU A 18 2.772 2.101 -1.368 1.00 0.00 N ATOM 301 CA LEU A 18 3.690 3.180 -0.893 1.00 0.00 C ATOM 302 C LEU A 18 4.565 2.646 0.247 1.00 0.00 C ATOM 303 O LEU A 18 5.729 2.981 0.360 1.00 0.00 O ATOM 304 CB LEU A 18 2.767 4.303 -0.394 1.00 0.00 C ATOM 305 CG LEU A 18 3.337 5.675 -0.782 1.00 0.00 C ATOM 306 CD1 LEU A 18 4.736 5.847 -0.184 1.00 0.00 C ATOM 307 CD2 LEU A 18 3.414 5.789 -2.308 1.00 0.00 C ATOM 0 H LEU A 18 1.786 2.255 -1.156 1.00 0.00 H new ATOM 0 HA LEU A 18 4.361 3.534 -1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.772 4.181 -0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.659 4.240 0.689 1.00 0.00 H new ATOM 0 HG LEU A 18 2.683 6.455 -0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.134 6.823 -0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.679 5.776 0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.393 5.065 -0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.819 6.764 -2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.062 5.005 -2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.416 5.680 -2.732 1.00 0.00 H new ATOM 319 N ALA A 19 4.007 1.805 1.079 1.00 0.00 N ATOM 320 CA ALA A 19 4.791 1.222 2.211 1.00 0.00 C ATOM 321 C ALA A 19 5.917 0.333 1.666 1.00 0.00 C ATOM 322 O ALA A 19 7.020 0.330 2.182 1.00 0.00 O ATOM 323 CB ALA A 19 3.786 0.390 3.012 1.00 0.00 C ATOM 0 H ALA A 19 3.037 1.495 1.023 1.00 0.00 H new ATOM 0 HA ALA A 19 5.259 1.989 2.828 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.290 -0.070 3.862 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.984 1.035 3.372 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.367 -0.388 2.374 1.00 0.00 H new ATOM 329 N ALA A 20 5.646 -0.410 0.619 1.00 0.00 N ATOM 330 CA ALA A 20 6.699 -1.292 0.023 1.00 0.00 C ATOM 331 C ALA A 20 7.839 -0.433 -0.536 1.00 0.00 C ATOM 332 O ALA A 20 9.003 -0.735 -0.346 1.00 0.00 O ATOM 333 CB ALA A 20 5.996 -2.057 -1.101 1.00 0.00 C ATOM 0 H ALA A 20 4.740 -0.443 0.151 1.00 0.00 H new ATOM 0 HA ALA A 20 7.137 -1.971 0.755 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.707 -2.726 -1.586 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.174 -2.640 -0.686 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.605 -1.350 -1.833 1.00 0.00 H new ATOM 339 N GLY A 21 7.509 0.643 -1.215 1.00 0.00 N ATOM 340 CA GLY A 21 8.566 1.539 -1.776 1.00 0.00 C ATOM 341 C GLY A 21 9.429 2.080 -0.633 1.00 0.00 C ATOM 342 O GLY A 21 10.637 2.173 -0.750 1.00 0.00 O ATOM 0 H GLY A 21 6.551 0.937 -1.403 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.185 0.990 -2.486 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.108 2.363 -2.323 1.00 0.00 H new ATOM 346 N VAL A 22 8.818 2.425 0.477 1.00 0.00 N ATOM 347 CA VAL A 22 9.604 2.946 1.641 1.00 0.00 C ATOM 348 C VAL A 22 10.549 1.851 2.160 1.00 0.00 C ATOM 349 O VAL A 22 11.671 2.124 2.542 1.00 0.00 O ATOM 350 CB VAL A 22 8.561 3.316 2.707 1.00 0.00 C ATOM 351 CG1 VAL A 22 9.268 3.768 3.990 1.00 0.00 C ATOM 352 CG2 VAL A 22 7.678 4.457 2.191 1.00 0.00 C ATOM 0 H VAL A 22 7.811 2.368 0.626 1.00 0.00 H new ATOM 0 HA VAL A 22 10.220 3.805 1.374 1.00 0.00 H new ATOM 0 HB VAL A 22 7.944 2.442 2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.524 4.029 4.743 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.895 2.959 4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.889 4.638 3.776 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.939 4.717 2.949 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.298 5.327 1.975 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.168 4.140 1.282 1.00 0.00 H new ATOM 362 N GLY A 23 10.104 0.614 2.163 1.00 0.00 N ATOM 363 CA GLY A 23 10.973 -0.506 2.642 1.00 0.00 C ATOM 364 C GLY A 23 12.234 -0.576 1.776 1.00 0.00 C ATOM 365 O GLY A 23 13.337 -0.682 2.280 1.00 0.00 O ATOM 0 H GLY A 23 9.174 0.334 1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 23 11.244 -0.350 3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.430 -1.450 2.591 1.00 0.00 H new ATOM 369 N ILE A 24 12.080 -0.503 0.475 1.00 0.00 N ATOM 370 CA ILE A 24 13.272 -0.550 -0.428 1.00 0.00 C ATOM 371 C ILE A 24 14.118 0.716 -0.229 1.00 0.00 C ATOM 372 O ILE A 24 15.328 0.667 -0.298 1.00 0.00 O ATOM 373 CB ILE A 24 12.701 -0.627 -1.853 1.00 0.00 C ATOM 374 CG1 ILE A 24 12.318 -2.077 -2.169 1.00 0.00 C ATOM 375 CG2 ILE A 24 13.748 -0.153 -2.868 1.00 0.00 C ATOM 376 CD1 ILE A 24 10.797 -2.197 -2.277 1.00 0.00 C ATOM 0 H ILE A 24 11.181 -0.413 0.001 1.00 0.00 H new ATOM 0 HA ILE A 24 13.923 -1.400 -0.223 1.00 0.00 H new ATOM 0 HB ILE A 24 11.822 0.014 -1.917 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.784 -2.391 -3.103 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.690 -2.740 -1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 24 13.332 -0.212 -3.874 1.00 0.00 H new ATOM 0 HG22 ILE A 24 14.025 0.878 -2.650 1.00 0.00 H new ATOM 0 HG23 ILE A 24 14.632 -0.788 -2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.529 -3.229 -2.502 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.341 -1.901 -1.332 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.436 -1.547 -3.074 1.00 0.00 H new ATOM 388 N TYR A 25 13.497 1.844 0.038 1.00 0.00 N ATOM 389 CA TYR A 25 14.292 3.094 0.264 1.00 0.00 C ATOM 390 C TYR A 25 15.171 2.926 1.511 1.00 0.00 C ATOM 391 O TYR A 25 16.216 3.537 1.630 1.00 0.00 O ATOM 392 CB TYR A 25 13.270 4.212 0.468 1.00 0.00 C ATOM 393 CG TYR A 25 13.936 5.541 0.201 1.00 0.00 C ATOM 394 CD1 TYR A 25 14.600 6.212 1.235 1.00 0.00 C ATOM 395 CD2 TYR A 25 13.890 6.103 -1.081 1.00 0.00 C ATOM 396 CE1 TYR A 25 15.216 7.444 0.988 1.00 0.00 C ATOM 397 CE2 TYR A 25 14.508 7.333 -1.328 1.00 0.00 C ATOM 398 CZ TYR A 25 15.170 8.004 -0.293 1.00 0.00 C ATOM 399 OH TYR A 25 15.778 9.219 -0.537 1.00 0.00 O ATOM 0 H TYR A 25 12.485 1.952 0.108 1.00 0.00 H new ATOM 0 HA TYR A 25 14.952 3.318 -0.574 1.00 0.00 H new ATOM 0 HB2 TYR A 25 12.422 4.074 -0.203 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.879 4.184 1.485 1.00 0.00 H new ATOM 0 HD1 TYR A 25 14.637 5.779 2.224 1.00 0.00 H new ATOM 0 HD2 TYR A 25 13.377 5.586 -1.879 1.00 0.00 H new ATOM 0 HE1 TYR A 25 15.727 7.962 1.786 1.00 0.00 H new ATOM 0 HE2 TYR A 25 14.475 7.765 -2.317 1.00 0.00 H new ATOM 0 HH TYR A 25 15.653 9.464 -1.478 1.00 0.00 H new ATOM 409 N LEU A 26 14.767 2.080 2.428 1.00 0.00 N ATOM 410 CA LEU A 26 15.594 1.840 3.648 1.00 0.00 C ATOM 411 C LEU A 26 16.731 0.864 3.306 1.00 0.00 C ATOM 412 O LEU A 26 17.726 0.790 4.000 1.00 0.00 O ATOM 413 CB LEU A 26 14.638 1.218 4.672 1.00 0.00 C ATOM 414 CG LEU A 26 13.657 2.280 5.175 1.00 0.00 C ATOM 415 CD1 LEU A 26 12.354 1.608 5.608 1.00 0.00 C ATOM 416 CD2 LEU A 26 14.270 3.018 6.369 1.00 0.00 C ATOM 0 H LEU A 26 13.899 1.546 2.382 1.00 0.00 H new ATOM 0 HA LEU A 26 16.048 2.753 4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.092 0.391 4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.203 0.806 5.508 1.00 0.00 H new ATOM 0 HG LEU A 26 13.451 2.990 4.374 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.656 2.365 5.966 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.916 1.083 4.759 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.560 0.897 6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.571 3.774 6.727 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.477 2.307 7.169 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.199 3.499 6.062 1.00 0.00 H new ATOM 428 N LEU A 27 16.587 0.122 2.225 1.00 0.00 N ATOM 429 CA LEU A 27 17.650 -0.843 1.814 1.00 0.00 C ATOM 430 C LEU A 27 17.858 -0.804 0.285 1.00 0.00 C ATOM 431 O LEU A 27 17.791 -1.828 -0.369 1.00 0.00 O ATOM 432 CB LEU A 27 17.105 -2.211 2.241 1.00 0.00 C ATOM 433 CG LEU A 27 18.263 -3.204 2.389 1.00 0.00 C ATOM 434 CD1 LEU A 27 19.049 -2.893 3.666 1.00 0.00 C ATOM 435 CD2 LEU A 27 17.706 -4.626 2.468 1.00 0.00 C ATOM 0 H LEU A 27 15.772 0.149 1.612 1.00 0.00 H new ATOM 0 HA LEU A 27 18.615 -0.615 2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 27 16.568 -2.121 3.185 1.00 0.00 H new ATOM 0 HB3 LEU A 27 16.392 -2.576 1.502 1.00 0.00 H new ATOM 0 HG LEU A 27 18.925 -3.118 1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 27 19.872 -3.601 3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 27 19.447 -1.880 3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 27 18.389 -2.977 4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 27 18.528 -5.334 2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.043 -4.710 3.329 1.00 0.00 H new ATOM 0 HD23 LEU A 27 17.149 -4.850 1.558 1.00 0.00 H new ATOM 447 N PRO A 28 18.104 0.378 -0.246 1.00 0.00 N ATOM 448 CA PRO A 28 18.318 0.527 -1.701 1.00 0.00 C ATOM 449 C PRO A 28 19.804 0.363 -2.058 1.00 0.00 C ATOM 450 O PRO A 28 20.142 -0.097 -3.133 1.00 0.00 O ATOM 451 CB PRO A 28 17.825 1.947 -1.975 1.00 0.00 C ATOM 452 CG PRO A 28 17.936 2.686 -0.668 1.00 0.00 C ATOM 453 CD PRO A 28 18.202 1.676 0.429 1.00 0.00 C ATOM 0 HA PRO A 28 17.799 -0.224 -2.297 1.00 0.00 H new ATOM 0 HB2 PRO A 28 18.427 2.427 -2.746 1.00 0.00 H new ATOM 0 HB3 PRO A 28 16.795 1.940 -2.333 1.00 0.00 H new ATOM 0 HG2 PRO A 28 18.742 3.418 -0.713 1.00 0.00 H new ATOM 0 HG3 PRO A 28 17.017 3.236 -0.463 1.00 0.00 H new ATOM 0 HD2 PRO A 28 19.187 1.821 0.873 1.00 0.00 H new ATOM 0 HD3 PRO A 28 17.473 1.762 1.235 1.00 0.00 H new ATOM 461 N ASN A 29 20.691 0.721 -1.162 1.00 0.00 N ATOM 462 CA ASN A 29 22.153 0.576 -1.442 1.00 0.00 C ATOM 463 C ASN A 29 22.644 -0.832 -1.061 1.00 0.00 C ATOM 464 O ASN A 29 23.723 -1.235 -1.449 1.00 0.00 O ATOM 465 CB ASN A 29 22.836 1.640 -0.574 1.00 0.00 C ATOM 466 CG ASN A 29 22.672 1.289 0.910 1.00 0.00 C ATOM 467 OD1 ASN A 29 21.635 1.537 1.494 1.00 0.00 O ATOM 468 ND2 ASN A 29 23.656 0.716 1.547 1.00 0.00 N ATOM 0 H ASN A 29 20.464 1.109 -0.246 1.00 0.00 H new ATOM 0 HA ASN A 29 22.378 0.707 -2.500 1.00 0.00 H new ATOM 0 HB2 ASN A 29 23.894 1.703 -0.827 1.00 0.00 H new ATOM 0 HB3 ASN A 29 22.401 2.619 -0.775 1.00 0.00 H new ATOM 0 HD21 ASN A 29 23.554 0.477 2.533 1.00 0.00 H new ATOM 0 HD22 ASN A 29 24.527 0.507 1.059 1.00 0.00 H new ATOM 475 N ARG A 30 21.861 -1.573 -0.301 1.00 0.00 N ATOM 476 CA ARG A 30 22.271 -2.953 0.121 1.00 0.00 C ATOM 477 C ARG A 30 23.612 -2.904 0.876 1.00 0.00 C ATOM 478 O ARG A 30 24.574 -3.494 0.406 1.00 0.00 O ATOM 479 CB ARG A 30 22.381 -3.768 -1.178 1.00 0.00 C ATOM 480 CG ARG A 30 21.004 -3.881 -1.839 1.00 0.00 C ATOM 481 CD ARG A 30 20.944 -5.161 -2.680 1.00 0.00 C ATOM 482 NE ARG A 30 19.777 -4.974 -3.589 1.00 0.00 N ATOM 483 CZ ARG A 30 19.868 -5.312 -4.848 1.00 0.00 C ATOM 484 NH1 ARG A 30 19.659 -6.552 -5.208 1.00 0.00 N ATOM 485 NH2 ARG A 30 20.169 -4.409 -5.745 1.00 0.00 N ATOM 486 OXT ARG A 30 23.651 -2.272 1.918 1.00 0.00 O ATOM 0 H ARG A 30 20.949 -1.275 0.046 1.00 0.00 H new ATOM 0 HA ARG A 30 21.552 -3.406 0.804 1.00 0.00 H new ATOM 0 HB2 ARG A 30 23.083 -3.289 -1.860 1.00 0.00 H new ATOM 0 HB3 ARG A 30 22.773 -4.762 -0.962 1.00 0.00 H new ATOM 0 HG2 ARG A 30 20.224 -3.896 -1.078 1.00 0.00 H new ATOM 0 HG3 ARG A 30 20.818 -3.011 -2.468 1.00 0.00 H new ATOM 0 HD2 ARG A 30 21.865 -5.305 -3.245 1.00 0.00 H new ATOM 0 HD3 ARG A 30 20.816 -6.041 -2.050 1.00 0.00 H new ATOM 0 HE ARG A 30 18.907 -4.582 -3.228 1.00 0.00 H new ATOM 0 HH11 ARG A 30 19.425 -7.254 -4.506 1.00 0.00 H new ATOM 0 HH12 ARG A 30 19.730 -6.817 -6.191 1.00 0.00 H new ATOM 0 HH21 ARG A 30 20.332 -3.443 -5.461 1.00 0.00 H new ATOM 0 HH22 ARG A 30 20.241 -4.671 -6.728 1.00 0.00 H new TER 500 ARG A 30