USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 269 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 LEU N :NH3+ -152:sc= -0.752 (180deg=-2.01!) USER MOD Single : A 6 SER OG : rot -73:sc= 1.15 USER MOD Single : A 10 SER OG : rot -6:sc= 0.85 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 50:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 12.245 -0.167 6.848 1.00 0.00 N ATOM 2 CA LEU A 1 10.813 -0.002 6.635 1.00 0.00 C ATOM 3 C LEU A 1 10.608 0.692 5.312 1.00 0.00 C ATOM 4 O LEU A 1 11.471 1.469 4.888 1.00 0.00 O ATOM 5 CB LEU A 1 10.128 0.847 7.746 1.00 0.00 C ATOM 6 CG LEU A 1 10.141 0.323 9.193 1.00 0.00 C ATOM 7 CD1 LEU A 1 11.496 0.509 9.853 1.00 0.00 C ATOM 8 CD2 LEU A 1 9.054 0.994 10.010 1.00 0.00 C ATOM 0 H1 LEU A 1 12.413 -1.002 7.445 1.00 0.00 H new ATOM 0 H2 LEU A 1 12.720 -0.295 5.932 1.00 0.00 H new ATOM 0 H3 LEU A 1 12.625 0.678 7.320 1.00 0.00 H new ATOM 0 HA LEU A 1 10.361 -0.994 6.655 1.00 0.00 H new ATOM 0 HB2 LEU A 1 10.598 1.830 7.747 1.00 0.00 H new ATOM 0 HB3 LEU A 1 9.087 0.991 7.457 1.00 0.00 H new ATOM 0 HG LEU A 1 9.943 -0.748 9.154 1.00 0.00 H new ATOM 0 HD11 LEU A 1 11.460 0.125 10.873 1.00 0.00 H new ATOM 0 HD12 LEU A 1 12.254 -0.034 9.288 1.00 0.00 H new ATOM 0 HD13 LEU A 1 11.749 1.569 9.873 1.00 0.00 H new ATOM 0 HD21 LEU A 1 9.078 0.612 11.031 1.00 0.00 H new ATOM 0 HD22 LEU A 1 9.220 2.071 10.022 1.00 0.00 H new ATOM 0 HD23 LEU A 1 8.082 0.782 9.566 1.00 0.00 H new ATOM 22 N PRO A 2 9.505 0.395 4.608 1.00 0.00 N ATOM 23 CA PRO A 2 9.167 1.069 3.362 1.00 0.00 C ATOM 24 C PRO A 2 8.836 2.523 3.617 1.00 0.00 C ATOM 25 O PRO A 2 8.068 2.858 4.533 1.00 0.00 O ATOM 26 CB PRO A 2 7.926 0.318 2.863 1.00 0.00 C ATOM 27 CG PRO A 2 7.343 -0.305 4.077 1.00 0.00 C ATOM 28 CD PRO A 2 8.507 -0.637 4.959 1.00 0.00 C ATOM 0 HA PRO A 2 9.986 1.060 2.643 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.218 0.997 2.388 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.192 -0.435 2.121 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.655 0.378 4.576 1.00 0.00 H new ATOM 0 HG3 PRO A 2 6.775 -1.200 3.824 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.237 -0.593 6.014 1.00 0.00 H new ATOM 0 HD3 PRO A 2 8.883 -1.642 4.767 1.00 0.00 H new ATOM 36 N ARG A 3 9.405 3.377 2.835 1.00 0.00 N ATOM 37 CA ARG A 3 9.192 4.778 2.977 1.00 0.00 C ATOM 38 C ARG A 3 8.044 5.192 2.095 1.00 0.00 C ATOM 39 O ARG A 3 8.234 5.696 0.989 1.00 0.00 O ATOM 40 CB ARG A 3 10.446 5.531 2.615 1.00 0.00 C ATOM 41 CG ARG A 3 11.645 5.190 3.475 1.00 0.00 C ATOM 42 CD ARG A 3 12.880 5.848 2.928 1.00 0.00 C ATOM 43 NE ARG A 3 13.159 5.402 1.557 1.00 0.00 N ATOM 44 CZ ARG A 3 13.942 6.037 0.683 1.00 0.00 C ATOM 45 NH1 ARG A 3 14.545 7.179 1.025 1.00 0.00 N ATOM 46 NH2 ARG A 3 14.115 5.528 -0.532 1.00 0.00 N ATOM 0 H ARG A 3 10.035 3.121 2.075 1.00 0.00 H new ATOM 0 HA ARG A 3 8.947 5.012 4.013 1.00 0.00 H new ATOM 0 HB2 ARG A 3 10.691 5.327 1.573 1.00 0.00 H new ATOM 0 HB3 ARG A 3 10.250 6.600 2.693 1.00 0.00 H new ATOM 0 HG2 ARG A 3 11.472 5.519 4.500 1.00 0.00 H new ATOM 0 HG3 ARG A 3 11.784 4.109 3.507 1.00 0.00 H new ATOM 0 HD2 ARG A 3 12.755 6.931 2.942 1.00 0.00 H new ATOM 0 HD3 ARG A 3 13.732 5.617 3.568 1.00 0.00 H new ATOM 0 HE ARG A 3 12.718 4.536 1.248 1.00 0.00 H new ATOM 0 HH11 ARG A 3 14.408 7.569 1.958 1.00 0.00 H new ATOM 0 HH12 ARG A 3 15.143 7.661 0.354 1.00 0.00 H new ATOM 0 HH21 ARG A 3 13.651 4.658 -0.791 1.00 0.00 H new ATOM 0 HH22 ARG A 3 14.712 6.008 -1.206 1.00 0.00 H new ATOM 60 N CYS A 4 6.873 4.899 2.541 1.00 0.00 N ATOM 61 CA CYS A 4 5.696 5.170 1.769 1.00 0.00 C ATOM 62 C CYS A 4 4.709 5.987 2.564 1.00 0.00 C ATOM 63 O CYS A 4 3.821 6.629 1.988 1.00 0.00 O ATOM 64 CB CYS A 4 5.064 3.843 1.347 1.00 0.00 C ATOM 65 SG CYS A 4 6.215 2.730 0.457 1.00 0.00 S ATOM 0 H CYS A 4 6.697 4.466 3.447 1.00 0.00 H new ATOM 0 HA CYS A 4 5.972 5.746 0.886 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.690 3.331 2.233 1.00 0.00 H new ATOM 0 HB3 CYS A 4 4.204 4.047 0.709 1.00 0.00 H new ATOM 70 N ASP A 5 4.891 5.990 3.903 1.00 0.00 N ATOM 71 CA ASP A 5 3.975 6.645 4.846 1.00 0.00 C ATOM 72 C ASP A 5 2.629 5.954 4.809 1.00 0.00 C ATOM 73 O ASP A 5 1.588 6.539 5.132 1.00 0.00 O ATOM 74 CB ASP A 5 3.844 8.159 4.587 1.00 0.00 C ATOM 75 CG ASP A 5 5.095 8.937 4.932 1.00 0.00 C ATOM 76 OD1 ASP A 5 5.951 9.168 4.046 1.00 0.00 O ATOM 77 OD2 ASP A 5 5.258 9.335 6.103 1.00 0.00 O ATOM 0 H ASP A 5 5.683 5.534 4.356 1.00 0.00 H new ATOM 0 HA ASP A 5 4.396 6.550 5.847 1.00 0.00 H new ATOM 0 HB2 ASP A 5 3.602 8.321 3.537 1.00 0.00 H new ATOM 0 HB3 ASP A 5 3.010 8.549 5.170 1.00 0.00 H new ATOM 82 N SER A 6 2.666 4.695 4.451 1.00 0.00 N ATOM 83 CA SER A 6 1.502 3.878 4.358 1.00 0.00 C ATOM 84 C SER A 6 1.605 2.773 5.420 1.00 0.00 C ATOM 85 O SER A 6 2.461 1.890 5.308 1.00 0.00 O ATOM 86 CB SER A 6 1.479 3.232 2.972 1.00 0.00 C ATOM 87 OG SER A 6 1.814 4.176 1.961 1.00 0.00 O ATOM 0 H SER A 6 3.530 4.207 4.213 1.00 0.00 H new ATOM 0 HA SER A 6 0.599 4.469 4.513 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.182 2.399 2.944 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.489 2.820 2.776 1.00 0.00 H new ATOM 0 HG SER A 6 1.068 4.798 1.834 1.00 0.00 H new ATOM 93 N PRO A 7 0.789 2.815 6.482 1.00 0.00 N ATOM 94 CA PRO A 7 0.819 1.772 7.516 1.00 0.00 C ATOM 95 C PRO A 7 0.247 0.451 6.986 1.00 0.00 C ATOM 96 O PRO A 7 0.656 -0.636 7.383 1.00 0.00 O ATOM 97 CB PRO A 7 -0.048 2.347 8.641 1.00 0.00 C ATOM 98 CG PRO A 7 -0.934 3.359 7.984 1.00 0.00 C ATOM 99 CD PRO A 7 -0.191 3.880 6.784 1.00 0.00 C ATOM 0 HA PRO A 7 1.830 1.536 7.848 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.635 1.565 9.123 1.00 0.00 H new ATOM 0 HB3 PRO A 7 0.567 2.807 9.415 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.880 2.908 7.686 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.171 4.170 8.673 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.862 4.055 5.943 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.303 4.827 7.000 1.00 0.00 H new ATOM 107 N PHE A 8 -0.667 0.574 6.065 1.00 0.00 N ATOM 108 CA PHE A 8 -1.318 -0.525 5.419 1.00 0.00 C ATOM 109 C PHE A 8 -1.953 0.046 4.175 1.00 0.00 C ATOM 110 O PHE A 8 -1.820 1.248 3.925 1.00 0.00 O ATOM 111 CB PHE A 8 -2.391 -1.172 6.344 1.00 0.00 C ATOM 112 CG PHE A 8 -3.551 -0.268 6.705 1.00 0.00 C ATOM 113 CD1 PHE A 8 -4.756 -0.369 6.033 1.00 0.00 C ATOM 114 CD2 PHE A 8 -3.428 0.684 7.702 1.00 0.00 C ATOM 115 CE1 PHE A 8 -5.809 0.457 6.347 1.00 0.00 C ATOM 116 CE2 PHE A 8 -4.481 1.514 8.020 1.00 0.00 C ATOM 117 CZ PHE A 8 -5.672 1.402 7.341 1.00 0.00 C ATOM 0 H PHE A 8 -0.990 1.482 5.732 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.608 -1.317 5.180 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.783 -2.063 5.853 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.906 -1.501 7.263 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.871 -1.106 5.252 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.495 0.778 8.238 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -6.744 0.365 5.815 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.371 2.251 8.801 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.498 2.053 7.586 1.00 0.00 H new ATOM 127 N CYS A 9 -2.610 -0.766 3.413 1.00 0.00 N ATOM 128 CA CYS A 9 -3.291 -0.319 2.230 1.00 0.00 C ATOM 129 C CYS A 9 -4.413 -1.312 1.960 1.00 0.00 C ATOM 130 O CYS A 9 -4.492 -2.329 2.651 1.00 0.00 O ATOM 131 CB CYS A 9 -2.288 -0.264 1.077 1.00 0.00 C ATOM 132 SG CYS A 9 -2.887 0.482 -0.473 1.00 0.00 S ATOM 0 H CYS A 9 -2.693 -1.767 3.590 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.714 0.679 2.346 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.413 0.294 1.410 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.956 -1.280 0.863 1.00 0.00 H new ATOM 137 N SER A 10 -5.268 -1.043 1.005 1.00 0.00 N ATOM 138 CA SER A 10 -6.379 -1.923 0.708 1.00 0.00 C ATOM 139 C SER A 10 -6.710 -1.812 -0.761 1.00 0.00 C ATOM 140 O SER A 10 -6.218 -0.922 -1.413 1.00 0.00 O ATOM 141 CB SER A 10 -7.589 -1.513 1.556 1.00 0.00 C ATOM 142 OG SER A 10 -7.889 -0.140 1.369 1.00 0.00 O ATOM 0 H SER A 10 -5.218 -0.214 0.413 1.00 0.00 H new ATOM 0 HA SER A 10 -6.117 -2.955 0.942 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.453 -2.120 1.284 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.384 -1.705 2.609 1.00 0.00 H new ATOM 0 HG SER A 10 -7.201 0.271 0.805 1.00 0.00 H new ATOM 148 N LEU A 11 -7.540 -2.704 -1.282 1.00 0.00 N ATOM 149 CA LEU A 11 -7.954 -2.608 -2.680 1.00 0.00 C ATOM 150 C LEU A 11 -8.936 -1.457 -2.854 1.00 0.00 C ATOM 151 O LEU A 11 -9.085 -0.897 -3.947 1.00 0.00 O ATOM 152 CB LEU A 11 -8.607 -3.905 -3.209 1.00 0.00 C ATOM 153 CG LEU A 11 -9.968 -4.315 -2.617 1.00 0.00 C ATOM 154 CD1 LEU A 11 -10.682 -5.249 -3.564 1.00 0.00 C ATOM 155 CD2 LEU A 11 -9.809 -5.011 -1.286 1.00 0.00 C ATOM 0 H LEU A 11 -7.937 -3.492 -0.770 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.047 -2.435 -3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.727 -3.804 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.908 -4.725 -3.042 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.547 -3.403 -2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.644 -5.534 -3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.843 -4.747 -4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.076 -6.141 -3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.790 -5.285 -0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.206 -5.910 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.316 -4.341 -0.582 1.00 0.00 H new ATOM 167 N PHE A 12 -9.617 -1.120 -1.779 1.00 0.00 N ATOM 168 CA PHE A 12 -10.587 -0.060 -1.797 1.00 0.00 C ATOM 169 C PHE A 12 -9.868 1.262 -1.732 1.00 0.00 C ATOM 170 O PHE A 12 -10.155 2.179 -2.495 1.00 0.00 O ATOM 171 CB PHE A 12 -11.570 -0.191 -0.633 1.00 0.00 C ATOM 172 CG PHE A 12 -12.265 -1.525 -0.552 1.00 0.00 C ATOM 173 CD1 PHE A 12 -12.139 -2.319 0.575 1.00 0.00 C ATOM 174 CD2 PHE A 12 -13.037 -1.990 -1.604 1.00 0.00 C ATOM 175 CE1 PHE A 12 -12.772 -3.542 0.649 1.00 0.00 C ATOM 176 CE2 PHE A 12 -13.669 -3.212 -1.531 1.00 0.00 C ATOM 177 CZ PHE A 12 -13.538 -3.989 -0.405 1.00 0.00 C ATOM 0 H PHE A 12 -9.510 -1.576 -0.873 1.00 0.00 H new ATOM 0 HA PHE A 12 -11.163 -0.121 -2.720 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.034 -0.017 0.300 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.323 0.592 -0.719 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.539 -1.977 1.405 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -13.145 -1.387 -2.493 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.667 -4.150 1.535 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -14.268 -3.560 -2.360 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.034 -4.947 -0.347 1.00 0.00 H new ATOM 187 N ARG A 13 -8.928 1.349 -0.832 1.00 0.00 N ATOM 188 CA ARG A 13 -8.132 2.525 -0.693 1.00 0.00 C ATOM 189 C ARG A 13 -6.694 2.201 -0.949 1.00 0.00 C ATOM 190 O ARG A 13 -5.988 1.705 -0.063 1.00 0.00 O ATOM 191 CB ARG A 13 -8.293 3.173 0.687 1.00 0.00 C ATOM 192 CG ARG A 13 -9.690 3.693 0.993 1.00 0.00 C ATOM 193 CD ARG A 13 -10.183 4.665 -0.074 1.00 0.00 C ATOM 194 NE ARG A 13 -9.289 5.811 -0.267 1.00 0.00 N ATOM 195 CZ ARG A 13 -9.323 6.634 -1.325 1.00 0.00 C ATOM 196 NH1 ARG A 13 -10.249 6.478 -2.283 1.00 0.00 N ATOM 197 NH2 ARG A 13 -8.454 7.625 -1.409 1.00 0.00 N ATOM 0 H ARG A 13 -8.696 0.603 -0.176 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.481 3.247 -1.431 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.018 2.444 1.449 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.588 4.000 0.768 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.381 2.854 1.066 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.688 4.190 1.963 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.291 4.133 -1.019 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.173 5.027 0.203 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.592 5.995 0.455 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.936 5.728 -2.211 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.266 7.110 -3.084 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.762 7.761 -0.672 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.474 8.255 -2.211 1.00 0.00 H new ATOM 211 N ILE A 14 -6.277 2.424 -2.169 1.00 0.00 N ATOM 212 CA ILE A 14 -4.890 2.242 -2.551 1.00 0.00 C ATOM 213 C ILE A 14 -4.177 3.574 -2.411 1.00 0.00 C ATOM 214 O ILE A 14 -2.951 3.680 -2.548 1.00 0.00 O ATOM 215 CB ILE A 14 -4.723 1.688 -3.998 1.00 0.00 C ATOM 216 CG1 ILE A 14 -5.377 2.609 -5.036 1.00 0.00 C ATOM 217 CG2 ILE A 14 -5.281 0.274 -4.106 1.00 0.00 C ATOM 218 CD1 ILE A 14 -5.200 2.135 -6.462 1.00 0.00 C ATOM 0 H ILE A 14 -6.883 2.736 -2.928 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.452 1.494 -1.890 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.655 1.655 -4.213 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.442 2.690 -4.818 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.955 3.609 -4.939 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.153 -0.091 -5.125 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.748 -0.381 -3.416 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.341 0.281 -3.854 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.688 2.834 -7.141 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.137 2.081 -6.698 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.647 1.148 -6.575 1.00 0.00 H new ATOM 230 N GLY A 15 -4.981 4.586 -2.064 1.00 0.00 N ATOM 231 CA GLY A 15 -4.526 5.944 -1.874 1.00 0.00 C ATOM 232 C GLY A 15 -3.671 6.130 -0.642 1.00 0.00 C ATOM 233 O GLY A 15 -3.264 7.240 -0.331 1.00 0.00 O ATOM 0 H GLY A 15 -5.982 4.469 -1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.957 6.253 -2.751 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.392 6.602 -1.807 1.00 0.00 H new ATOM 237 N LEU A 16 -3.435 5.058 0.087 1.00 0.00 N ATOM 238 CA LEU A 16 -2.507 5.099 1.202 1.00 0.00 C ATOM 239 C LEU A 16 -1.093 5.217 0.661 1.00 0.00 C ATOM 240 O LEU A 16 -0.215 5.835 1.279 1.00 0.00 O ATOM 241 CB LEU A 16 -2.624 3.856 2.108 1.00 0.00 C ATOM 242 CG LEU A 16 -3.810 3.781 3.100 1.00 0.00 C ATOM 243 CD1 LEU A 16 -3.801 4.961 4.055 1.00 0.00 C ATOM 244 CD2 LEU A 16 -5.144 3.673 2.391 1.00 0.00 C ATOM 0 H LEU A 16 -3.871 4.149 -0.071 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.754 5.965 1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.673 2.978 1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.702 3.777 2.685 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.678 2.868 3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.645 4.881 4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.871 4.962 4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.880 5.889 3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.945 3.623 3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.290 4.546 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.158 2.772 1.778 1.00 0.00 H new ATOM 256 N CYS A 17 -0.895 4.655 -0.509 1.00 0.00 N ATOM 257 CA CYS A 17 0.376 4.676 -1.176 1.00 0.00 C ATOM 258 C CYS A 17 0.393 5.863 -2.129 1.00 0.00 C ATOM 259 O CYS A 17 -0.466 5.978 -3.008 1.00 0.00 O ATOM 260 CB CYS A 17 0.558 3.371 -1.947 1.00 0.00 C ATOM 261 SG CYS A 17 0.369 1.870 -0.923 1.00 0.00 S ATOM 0 H CYS A 17 -1.625 4.165 -1.027 1.00 0.00 H new ATOM 0 HA CYS A 17 1.190 4.773 -0.458 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.167 3.337 -2.760 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.548 3.365 -2.403 1.00 0.00 H new ATOM 266 N GLY A 18 1.352 6.740 -1.968 1.00 0.00 N ATOM 267 CA GLY A 18 1.378 7.961 -2.746 1.00 0.00 C ATOM 268 C GLY A 18 2.112 7.826 -4.062 1.00 0.00 C ATOM 269 O GLY A 18 3.058 8.550 -4.310 1.00 0.00 O ATOM 0 H GLY A 18 2.124 6.636 -1.309 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.354 8.279 -2.942 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.849 8.748 -2.156 1.00 0.00 H new ATOM 273 N ASP A 19 1.712 6.833 -4.868 1.00 0.00 N ATOM 274 CA ASP A 19 2.208 6.584 -6.252 1.00 0.00 C ATOM 275 C ASP A 19 3.654 6.077 -6.304 1.00 0.00 C ATOM 276 O ASP A 19 4.085 5.474 -7.280 1.00 0.00 O ATOM 277 CB ASP A 19 2.011 7.833 -7.109 1.00 0.00 C ATOM 278 CG ASP A 19 2.339 7.653 -8.580 1.00 0.00 C ATOM 279 OD1 ASP A 19 3.469 7.994 -9.006 1.00 0.00 O ATOM 280 OD2 ASP A 19 1.444 7.234 -9.353 1.00 0.00 O ATOM 0 H ASP A 19 1.011 6.152 -4.576 1.00 0.00 H new ATOM 0 HA ASP A 19 1.610 5.772 -6.666 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.975 8.158 -7.019 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.632 8.634 -6.708 1.00 0.00 H new ATOM 285 N LYS A 20 4.368 6.279 -5.237 1.00 0.00 N ATOM 286 CA LYS A 20 5.764 5.866 -5.138 1.00 0.00 C ATOM 287 C LYS A 20 5.874 4.426 -4.716 1.00 0.00 C ATOM 288 O LYS A 20 6.927 3.776 -4.856 1.00 0.00 O ATOM 289 CB LYS A 20 6.480 6.720 -4.143 1.00 0.00 C ATOM 290 CG LYS A 20 6.513 8.155 -4.545 1.00 0.00 C ATOM 291 CD LYS A 20 7.267 8.971 -3.555 1.00 0.00 C ATOM 292 CE LYS A 20 8.729 8.571 -3.476 1.00 0.00 C ATOM 293 NZ LYS A 20 9.468 9.387 -2.500 1.00 0.00 N ATOM 0 H LYS A 20 4.010 6.736 -4.398 1.00 0.00 H new ATOM 0 HA LYS A 20 6.217 5.981 -6.123 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.993 6.629 -3.172 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.500 6.356 -4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.976 8.250 -5.527 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.495 8.535 -4.634 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.195 10.025 -3.825 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.809 8.861 -2.572 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.803 7.519 -3.200 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.188 8.676 -4.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.462 9.083 -2.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.419 10.388 -2.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.046 9.267 -1.557 1.00 0.00 H new ATOM 307 N CYS A 21 4.799 3.948 -4.181 1.00 0.00 N ATOM 308 CA CYS A 21 4.699 2.619 -3.692 1.00 0.00 C ATOM 309 C CYS A 21 3.371 2.064 -4.143 1.00 0.00 C ATOM 310 O CYS A 21 2.428 2.841 -4.390 1.00 0.00 O ATOM 311 CB CYS A 21 4.749 2.629 -2.169 1.00 0.00 C ATOM 312 SG CYS A 21 6.211 3.438 -1.440 1.00 0.00 S ATOM 0 H CYS A 21 3.942 4.491 -4.070 1.00 0.00 H new ATOM 0 HA CYS A 21 5.521 2.011 -4.069 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.855 3.129 -1.796 1.00 0.00 H new ATOM 0 HB3 CYS A 21 4.710 1.599 -1.814 1.00 0.00 H new ATOM 317 N THR A 22 3.293 0.777 -4.281 1.00 0.00 N ATOM 318 CA THR A 22 2.088 0.108 -4.677 1.00 0.00 C ATOM 319 C THR A 22 1.773 -0.949 -3.629 1.00 0.00 C ATOM 320 O THR A 22 2.688 -1.552 -3.054 1.00 0.00 O ATOM 321 CB THR A 22 2.268 -0.544 -6.076 1.00 0.00 C ATOM 322 OG1 THR A 22 2.651 0.468 -7.020 1.00 0.00 O ATOM 323 CG2 THR A 22 0.988 -1.209 -6.563 1.00 0.00 C ATOM 0 H THR A 22 4.079 0.148 -4.119 1.00 0.00 H new ATOM 0 HA THR A 22 1.265 0.819 -4.748 1.00 0.00 H new ATOM 0 HB THR A 22 3.038 -1.311 -5.990 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.406 0.980 -6.662 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.159 -1.652 -7.544 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.692 -1.988 -5.860 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.195 -0.464 -6.634 1.00 0.00 H new ATOM 331 N CYS A 23 0.523 -1.140 -3.327 1.00 0.00 N ATOM 332 CA CYS A 23 0.161 -2.102 -2.337 1.00 0.00 C ATOM 333 C CYS A 23 -0.492 -3.309 -2.950 1.00 0.00 C ATOM 334 O CYS A 23 -1.030 -3.250 -4.061 1.00 0.00 O ATOM 335 CB CYS A 23 -0.746 -1.492 -1.278 1.00 0.00 C ATOM 336 SG CYS A 23 -2.355 -0.877 -1.882 1.00 0.00 S ATOM 0 H CYS A 23 -0.259 -0.642 -3.752 1.00 0.00 H new ATOM 0 HA CYS A 23 1.084 -2.425 -1.855 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.929 -2.240 -0.506 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.216 -0.666 -0.802 1.00 0.00 H new ATOM 341 N VAL A 24 -0.421 -4.397 -2.249 1.00 0.00 N ATOM 342 CA VAL A 24 -1.068 -5.604 -2.648 1.00 0.00 C ATOM 343 C VAL A 24 -2.050 -6.005 -1.548 1.00 0.00 C ATOM 344 O VAL A 24 -1.659 -6.159 -0.395 1.00 0.00 O ATOM 345 CB VAL A 24 -0.042 -6.752 -2.967 1.00 0.00 C ATOM 346 CG1 VAL A 24 0.881 -7.059 -1.786 1.00 0.00 C ATOM 347 CG2 VAL A 24 -0.763 -8.010 -3.430 1.00 0.00 C ATOM 0 H VAL A 24 0.095 -4.471 -1.372 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.609 -5.433 -3.579 1.00 0.00 H new ATOM 0 HB VAL A 24 0.591 -6.393 -3.778 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.569 -7.859 -2.060 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.448 -6.165 -1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.284 -7.372 -0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.032 -8.790 -3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.439 -8.352 -2.646 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.335 -7.791 -4.332 1.00 0.00 H new ATOM 357 N PRO A 25 -3.339 -6.069 -1.857 1.00 0.00 N ATOM 358 CA PRO A 25 -4.339 -6.456 -0.887 1.00 0.00 C ATOM 359 C PRO A 25 -4.409 -7.974 -0.733 1.00 0.00 C ATOM 360 O PRO A 25 -4.599 -8.705 -1.718 1.00 0.00 O ATOM 361 CB PRO A 25 -5.636 -5.898 -1.472 1.00 0.00 C ATOM 362 CG PRO A 25 -5.415 -5.822 -2.950 1.00 0.00 C ATOM 363 CD PRO A 25 -3.927 -5.760 -3.180 1.00 0.00 C ATOM 0 HA PRO A 25 -4.126 -6.077 0.113 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.482 -6.544 -1.235 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.860 -4.915 -1.059 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.844 -6.692 -3.448 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.905 -4.942 -3.367 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.611 -6.481 -3.934 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.620 -4.775 -3.532 1.00 0.00 H new ATOM 371 N LEU A 26 -4.245 -8.454 0.478 1.00 0.00 N ATOM 372 CA LEU A 26 -4.291 -9.868 0.713 1.00 0.00 C ATOM 373 C LEU A 26 -5.038 -10.208 2.011 1.00 0.00 C ATOM 374 O LEU A 26 -4.459 -10.177 3.097 1.00 0.00 O ATOM 375 CB LEU A 26 -2.876 -10.551 0.656 1.00 0.00 C ATOM 376 CG LEU A 26 -1.803 -10.181 1.715 1.00 0.00 C ATOM 377 CD1 LEU A 26 -0.611 -11.116 1.594 1.00 0.00 C ATOM 378 CD2 LEU A 26 -1.323 -8.750 1.562 1.00 0.00 C ATOM 0 H LEU A 26 -4.080 -7.885 1.308 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.862 -10.291 -0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.031 -11.628 0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.452 -10.341 -0.326 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.268 -10.283 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.137 -10.850 2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.937 -12.143 1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.178 -11.026 0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.573 -8.534 2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.885 -8.617 0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.166 -8.069 1.680 1.00 0.00 H new ATOM 390 N PRO A 27 -6.366 -10.461 1.943 1.00 0.00 N ATOM 391 CA PRO A 27 -7.186 -10.326 0.724 1.00 0.00 C ATOM 392 C PRO A 27 -7.747 -8.901 0.530 1.00 0.00 C ATOM 393 O PRO A 27 -7.841 -8.409 -0.593 1.00 0.00 O ATOM 394 CB PRO A 27 -8.353 -11.302 0.987 1.00 0.00 C ATOM 395 CG PRO A 27 -8.039 -11.968 2.295 1.00 0.00 C ATOM 396 CD PRO A 27 -7.157 -11.018 3.027 1.00 0.00 C ATOM 0 HA PRO A 27 -6.605 -10.532 -0.175 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.304 -10.771 1.036 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.438 -12.035 0.185 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.949 -12.172 2.859 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.540 -12.924 2.138 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.727 -10.253 3.554 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.538 -11.522 3.769 1.00 0.00 H new ATOM 404 N ILE A 28 -8.101 -8.238 1.620 1.00 0.00 N ATOM 405 CA ILE A 28 -8.693 -6.906 1.541 1.00 0.00 C ATOM 406 C ILE A 28 -7.647 -5.848 1.829 1.00 0.00 C ATOM 407 O ILE A 28 -7.456 -4.906 1.046 1.00 0.00 O ATOM 408 CB ILE A 28 -9.903 -6.737 2.516 1.00 0.00 C ATOM 409 CG1 ILE A 28 -11.030 -7.730 2.180 1.00 0.00 C ATOM 410 CG2 ILE A 28 -10.425 -5.303 2.514 1.00 0.00 C ATOM 411 CD1 ILE A 28 -11.620 -7.583 0.787 1.00 0.00 C ATOM 0 H ILE A 28 -7.990 -8.597 2.568 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.069 -6.782 0.526 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.545 -6.959 3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.646 -8.744 2.290 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -11.829 -7.611 2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.266 -5.221 3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.631 -4.626 2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.752 -5.036 1.509 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.405 -8.325 0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -12.040 -6.584 0.673 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.838 -7.735 0.043 1.00 0.00 H new ATOM 423 N PHE A 29 -6.981 -6.004 2.931 1.00 0.00 N ATOM 424 CA PHE A 29 -5.943 -5.103 3.322 1.00 0.00 C ATOM 425 C PHE A 29 -4.617 -5.735 3.012 1.00 0.00 C ATOM 426 O PHE A 29 -4.492 -6.968 2.989 1.00 0.00 O ATOM 427 CB PHE A 29 -6.058 -4.739 4.814 1.00 0.00 C ATOM 428 CG PHE A 29 -7.341 -4.021 5.150 1.00 0.00 C ATOM 429 CD1 PHE A 29 -8.419 -4.704 5.682 1.00 0.00 C ATOM 430 CD2 PHE A 29 -7.469 -2.666 4.907 1.00 0.00 C ATOM 431 CE1 PHE A 29 -9.600 -4.049 5.963 1.00 0.00 C ATOM 432 CE2 PHE A 29 -8.649 -2.002 5.189 1.00 0.00 C ATOM 433 CZ PHE A 29 -9.717 -2.696 5.716 1.00 0.00 C ATOM 0 H PHE A 29 -7.144 -6.766 3.589 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.037 -4.172 2.764 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.991 -5.649 5.410 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.213 -4.111 5.095 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.335 -5.762 5.880 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.636 -2.118 4.491 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -10.434 -4.596 6.377 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.733 -0.943 4.997 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.642 -2.183 5.935 1.00 0.00 H new ATOM 443 N GLY A 30 -3.652 -4.935 2.731 1.00 0.00 N ATOM 444 CA GLY A 30 -2.377 -5.450 2.398 1.00 0.00 C ATOM 445 C GLY A 30 -1.276 -4.501 2.697 1.00 0.00 C ATOM 446 O GLY A 30 -1.505 -3.424 3.260 1.00 0.00 O ATOM 0 H GLY A 30 -3.723 -3.918 2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.210 -6.377 2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.357 -5.700 1.337 1.00 0.00 H new ATOM 450 N LEU A 31 -0.098 -4.880 2.301 1.00 0.00 N ATOM 451 CA LEU A 31 1.097 -4.121 2.559 1.00 0.00 C ATOM 452 C LEU A 31 1.431 -3.282 1.356 1.00 0.00 C ATOM 453 O LEU A 31 1.052 -3.629 0.226 1.00 0.00 O ATOM 454 CB LEU A 31 2.255 -5.071 2.855 1.00 0.00 C ATOM 455 CG LEU A 31 2.040 -6.049 4.012 1.00 0.00 C ATOM 456 CD1 LEU A 31 3.232 -6.973 4.156 1.00 0.00 C ATOM 457 CD2 LEU A 31 1.774 -5.299 5.310 1.00 0.00 C ATOM 0 H LEU A 31 0.066 -5.741 1.779 1.00 0.00 H new ATOM 0 HA LEU A 31 0.933 -3.472 3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.467 -5.646 1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.142 -4.475 3.069 1.00 0.00 H new ATOM 0 HG LEU A 31 1.163 -6.657 3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.061 -7.661 4.984 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.366 -7.540 3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.127 -6.384 4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.624 -6.014 6.119 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.627 -4.661 5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.881 -4.684 5.199 1.00 0.00 H new ATOM 469 N CYS A 32 2.107 -2.195 1.580 1.00 0.00 N ATOM 470 CA CYS A 32 2.507 -1.315 0.523 1.00 0.00 C ATOM 471 C CYS A 32 4.012 -1.421 0.355 1.00 0.00 C ATOM 472 O CYS A 32 4.751 -1.387 1.340 1.00 0.00 O ATOM 473 CB CYS A 32 2.090 0.119 0.856 1.00 0.00 C ATOM 474 SG CYS A 32 2.269 1.293 -0.519 1.00 0.00 S ATOM 0 H CYS A 32 2.399 -1.892 2.509 1.00 0.00 H new ATOM 0 HA CYS A 32 2.021 -1.595 -0.412 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.050 0.115 1.181 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.686 0.471 1.698 1.00 0.00 H new ATOM 479 N VAL A 33 4.463 -1.597 -0.857 1.00 0.00 N ATOM 480 CA VAL A 33 5.871 -1.755 -1.121 1.00 0.00 C ATOM 481 C VAL A 33 6.343 -0.681 -2.110 1.00 0.00 C ATOM 482 O VAL A 33 5.631 -0.369 -3.080 1.00 0.00 O ATOM 483 CB VAL A 33 6.189 -3.202 -1.656 1.00 0.00 C ATOM 484 CG1 VAL A 33 5.451 -3.510 -2.954 1.00 0.00 C ATOM 485 CG2 VAL A 33 7.690 -3.431 -1.824 1.00 0.00 C ATOM 0 H VAL A 33 3.871 -1.635 -1.686 1.00 0.00 H new ATOM 0 HA VAL A 33 6.417 -1.628 -0.186 1.00 0.00 H new ATOM 0 HB VAL A 33 5.827 -3.894 -0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.701 -4.518 -3.284 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.376 -3.439 -2.787 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.747 -2.793 -3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.865 -4.441 -2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.091 -2.709 -2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.187 -3.307 -0.862 1.00 0.00 H new ATOM 495 N PRO A 34 7.499 -0.037 -1.837 1.00 0.00 N ATOM 496 CA PRO A 34 8.080 0.933 -2.750 1.00 0.00 C ATOM 497 C PRO A 34 8.453 0.264 -4.057 1.00 0.00 C ATOM 498 O PRO A 34 9.164 -0.752 -4.071 1.00 0.00 O ATOM 499 CB PRO A 34 9.339 1.432 -2.019 1.00 0.00 C ATOM 500 CG PRO A 34 9.632 0.385 -1.004 1.00 0.00 C ATOM 501 CD PRO A 34 8.307 -0.189 -0.616 1.00 0.00 C ATOM 0 HA PRO A 34 7.394 1.743 -2.998 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.173 1.557 -2.709 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.166 2.400 -1.549 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.286 -0.384 -1.414 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.142 0.810 -0.140 1.00 0.00 H new ATOM 0 HD2 PRO A 34 8.393 -1.234 -0.319 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.868 0.347 0.226 1.00 0.00 H new ATOM 509 N ASP A 35 7.941 0.788 -5.136 1.00 0.00 N ATOM 510 CA ASP A 35 8.229 0.243 -6.446 1.00 0.00 C ATOM 511 C ASP A 35 9.631 0.606 -6.808 1.00 0.00 C ATOM 512 O ASP A 35 10.471 -0.253 -7.087 1.00 0.00 O ATOM 513 CB ASP A 35 7.264 0.790 -7.487 1.00 0.00 C ATOM 514 CG ASP A 35 5.842 0.421 -7.201 1.00 0.00 C ATOM 515 OD1 ASP A 35 5.424 -0.706 -7.530 1.00 0.00 O ATOM 516 OD2 ASP A 35 5.103 1.261 -6.670 1.00 0.00 O ATOM 0 H ASP A 35 7.318 1.596 -5.140 1.00 0.00 H new ATOM 0 HA ASP A 35 8.112 -0.840 -6.422 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.353 1.876 -7.526 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.543 0.412 -8.471 1.00 0.00 H new ATOM 521 N VAL A 36 9.890 1.871 -6.757 1.00 0.00 N ATOM 522 CA VAL A 36 11.190 2.399 -6.983 1.00 0.00 C ATOM 523 C VAL A 36 11.658 3.110 -5.724 1.00 0.00 C ATOM 524 O VAL A 36 11.343 4.297 -5.523 1.00 0.00 O ATOM 525 CB VAL A 36 11.268 3.314 -8.256 1.00 0.00 C ATOM 526 CG1 VAL A 36 11.201 2.461 -9.512 1.00 0.00 C ATOM 527 CG2 VAL A 36 10.128 4.324 -8.283 1.00 0.00 C ATOM 528 OXT VAL A 36 12.293 2.459 -4.884 1.00 0.00 O ATOM 0 H VAL A 36 9.186 2.580 -6.552 1.00 0.00 H new ATOM 0 HA VAL A 36 11.868 1.573 -7.198 1.00 0.00 H new ATOM 0 HB VAL A 36 12.214 3.854 -8.219 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.256 3.103 -10.391 1.00 0.00 H new ATOM 0 HG12 VAL A 36 12.036 1.761 -9.521 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.263 1.906 -9.526 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.211 4.942 -9.177 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.174 3.796 -8.294 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.182 4.957 -7.398 1.00 0.00 H new TER 538 VAL A 36