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+ -112:sc= 0.0297 (180deg=-0.00136) USER MOD Single : A 6 SER OG : rot -140:sc= 1.42 USER MOD Single : A 10 SER OG : rot -145:sc= 0.992 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 1.28 (180deg=1.28) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 14.994 3.708 5.790 1.00 0.00 N ATOM 2 CA LEU A 1 14.122 2.888 4.949 1.00 0.00 C ATOM 3 C LEU A 1 13.125 3.763 4.232 1.00 0.00 C ATOM 4 O LEU A 1 12.645 4.751 4.798 1.00 0.00 O ATOM 5 CB LEU A 1 13.366 1.841 5.785 1.00 0.00 C ATOM 6 CG LEU A 1 14.199 0.727 6.408 1.00 0.00 C ATOM 7 CD1 LEU A 1 13.344 -0.115 7.337 1.00 0.00 C ATOM 8 CD2 LEU A 1 14.810 -0.150 5.328 1.00 0.00 C ATOM 0 H1 LEU A 1 15.960 3.694 5.405 1.00 0.00 H new ATOM 0 H2 LEU A 1 14.641 4.686 5.806 1.00 0.00 H new ATOM 0 H3 LEU A 1 15.001 3.327 6.758 1.00 0.00 H new ATOM 0 HA LEU A 1 14.749 2.369 4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 1 12.841 2.361 6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 1 12.607 1.383 5.151 1.00 0.00 H new ATOM 0 HG LEU A 1 15.004 1.183 6.985 1.00 0.00 H new ATOM 0 HD11 LEU A 1 13.953 -0.906 7.774 1.00 0.00 H new ATOM 0 HD12 LEU A 1 12.942 0.514 8.131 1.00 0.00 H new ATOM 0 HD13 LEU A 1 12.523 -0.558 6.774 1.00 0.00 H new ATOM 0 HD21 LEU A 1 15.401 -0.940 5.792 1.00 0.00 H new ATOM 0 HD22 LEU A 1 14.016 -0.595 4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 1 15.452 0.455 4.688 1.00 0.00 H new ATOM 22 N PRO A 2 12.806 3.438 2.977 1.00 0.00 N ATOM 23 CA PRO A 2 11.801 4.164 2.207 1.00 0.00 C ATOM 24 C PRO A 2 10.417 3.851 2.725 1.00 0.00 C ATOM 25 O PRO A 2 10.052 2.683 2.911 1.00 0.00 O ATOM 26 CB PRO A 2 11.982 3.642 0.783 1.00 0.00 C ATOM 27 CG PRO A 2 12.562 2.279 0.954 1.00 0.00 C ATOM 28 CD PRO A 2 13.406 2.335 2.196 1.00 0.00 C ATOM 0 HA PRO A 2 11.914 5.246 2.271 1.00 0.00 H new ATOM 0 HB2 PRO A 2 11.032 3.605 0.251 1.00 0.00 H new ATOM 0 HB3 PRO A 2 12.646 4.286 0.206 1.00 0.00 H new ATOM 0 HG2 PRO A 2 11.775 1.531 1.051 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.162 2.000 0.088 1.00 0.00 H new ATOM 0 HD2 PRO A 2 13.375 1.393 2.744 1.00 0.00 H new ATOM 0 HD3 PRO A 2 14.452 2.533 1.961 1.00 0.00 H new ATOM 36 N ARG A 3 9.674 4.869 2.996 1.00 0.00 N ATOM 37 CA ARG A 3 8.365 4.703 3.531 1.00 0.00 C ATOM 38 C ARG A 3 7.339 5.085 2.505 1.00 0.00 C ATOM 39 O ARG A 3 7.554 5.997 1.709 1.00 0.00 O ATOM 40 CB ARG A 3 8.183 5.511 4.800 1.00 0.00 C ATOM 41 CG ARG A 3 9.132 5.132 5.924 1.00 0.00 C ATOM 42 CD ARG A 3 8.756 5.833 7.208 1.00 0.00 C ATOM 43 NE ARG A 3 7.446 5.384 7.706 1.00 0.00 N ATOM 44 CZ ARG A 3 6.587 6.129 8.409 1.00 0.00 C ATOM 45 NH1 ARG A 3 6.876 7.389 8.700 1.00 0.00 N ATOM 46 NH2 ARG A 3 5.436 5.606 8.813 1.00 0.00 N ATOM 0 H ARG A 3 9.956 5.839 2.853 1.00 0.00 H new ATOM 0 HA ARG A 3 8.231 3.653 3.789 1.00 0.00 H new ATOM 0 HB2 ARG A 3 8.318 6.567 4.567 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.158 5.390 5.150 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.110 4.053 6.075 1.00 0.00 H new ATOM 0 HG3 ARG A 3 10.153 5.395 5.647 1.00 0.00 H new ATOM 0 HD2 ARG A 3 9.518 5.643 7.964 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.733 6.910 7.042 1.00 0.00 H new ATOM 0 HE ARG A 3 7.170 4.424 7.497 1.00 0.00 H new ATOM 0 HH11 ARG A 3 7.758 7.795 8.387 1.00 0.00 H new ATOM 0 HH12 ARG A 3 6.217 7.953 9.237 1.00 0.00 H new ATOM 0 HH21 ARG A 3 5.209 4.638 8.587 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.779 6.172 9.350 1.00 0.00 H new ATOM 60 N CYS A 4 6.236 4.420 2.538 1.00 0.00 N ATOM 61 CA CYS A 4 5.192 4.609 1.562 1.00 0.00 C ATOM 62 C CYS A 4 4.105 5.517 2.083 1.00 0.00 C ATOM 63 O CYS A 4 3.191 5.875 1.345 1.00 0.00 O ATOM 64 CB CYS A 4 4.616 3.256 1.213 1.00 0.00 C ATOM 65 SG CYS A 4 5.856 2.109 0.526 1.00 0.00 S ATOM 0 H CYS A 4 6.021 3.719 3.247 1.00 0.00 H new ATOM 0 HA CYS A 4 5.614 5.084 0.676 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.176 2.813 2.106 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.810 3.386 0.491 1.00 0.00 H new ATOM 70 N ASP A 5 4.230 5.882 3.374 1.00 0.00 N ATOM 71 CA ASP A 5 3.267 6.710 4.120 1.00 0.00 C ATOM 72 C ASP A 5 2.000 5.910 4.376 1.00 0.00 C ATOM 73 O ASP A 5 0.959 6.456 4.797 1.00 0.00 O ATOM 74 CB ASP A 5 2.923 8.023 3.392 1.00 0.00 C ATOM 75 CG ASP A 5 4.106 8.927 3.121 1.00 0.00 C ATOM 76 OD1 ASP A 5 4.626 9.566 4.064 1.00 0.00 O ATOM 77 OD2 ASP A 5 4.525 9.042 1.948 1.00 0.00 O ATOM 0 H ASP A 5 5.029 5.599 3.942 1.00 0.00 H new ATOM 0 HA ASP A 5 3.737 6.985 5.065 1.00 0.00 H new ATOM 0 HB2 ASP A 5 2.444 7.781 2.443 1.00 0.00 H new ATOM 0 HB3 ASP A 5 2.193 8.572 3.987 1.00 0.00 H new ATOM 82 N SER A 6 2.099 4.621 4.172 1.00 0.00 N ATOM 83 CA SER A 6 0.984 3.735 4.286 1.00 0.00 C ATOM 84 C SER A 6 1.099 2.864 5.527 1.00 0.00 C ATOM 85 O SER A 6 2.023 2.056 5.628 1.00 0.00 O ATOM 86 CB SER A 6 0.952 2.828 3.070 1.00 0.00 C ATOM 87 OG SER A 6 1.082 3.571 1.886 1.00 0.00 O ATOM 0 H SER A 6 2.972 4.158 3.919 1.00 0.00 H new ATOM 0 HA SER A 6 0.076 4.334 4.357 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.758 2.097 3.135 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.016 2.270 3.053 1.00 0.00 H new ATOM 0 HG SER A 6 0.482 3.206 1.203 1.00 0.00 H new ATOM 93 N PRO A 7 0.175 3.006 6.483 1.00 0.00 N ATOM 94 CA PRO A 7 0.133 2.128 7.651 1.00 0.00 C ATOM 95 C PRO A 7 -0.405 0.744 7.247 1.00 0.00 C ATOM 96 O PRO A 7 -0.155 -0.272 7.899 1.00 0.00 O ATOM 97 CB PRO A 7 -0.840 2.838 8.598 1.00 0.00 C ATOM 98 CG PRO A 7 -1.694 3.702 7.729 1.00 0.00 C ATOM 99 CD PRO A 7 -0.874 4.048 6.521 1.00 0.00 C ATOM 0 HA PRO A 7 1.110 1.960 8.104 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.445 2.118 9.149 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -0.303 3.434 9.336 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.606 3.179 7.440 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.999 4.604 8.260 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.478 4.038 5.614 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -0.442 5.045 6.605 1.00 0.00 H new ATOM 107 N PHE A 8 -1.123 0.747 6.141 1.00 0.00 N ATOM 108 CA PHE A 8 -1.715 -0.408 5.517 1.00 0.00 C ATOM 109 C PHE A 8 -2.206 0.079 4.166 1.00 0.00 C ATOM 110 O PHE A 8 -2.008 1.258 3.841 1.00 0.00 O ATOM 111 CB PHE A 8 -2.911 -0.966 6.355 1.00 0.00 C ATOM 112 CG PHE A 8 -4.128 -0.058 6.425 1.00 0.00 C ATOM 113 CD1 PHE A 8 -4.161 1.023 7.285 1.00 0.00 C ATOM 114 CD2 PHE A 8 -5.230 -0.295 5.616 1.00 0.00 C ATOM 115 CE1 PHE A 8 -5.265 1.851 7.335 1.00 0.00 C ATOM 116 CE2 PHE A 8 -6.332 0.526 5.665 1.00 0.00 C ATOM 117 CZ PHE A 8 -6.349 1.602 6.524 1.00 0.00 C ATOM 0 H PHE A 8 -1.317 1.608 5.629 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.995 -1.222 5.433 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.215 -1.924 5.932 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.564 -1.161 7.370 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.314 1.223 7.925 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.222 -1.136 4.938 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.278 2.694 8.010 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.183 0.327 5.031 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.212 2.250 6.561 1.00 0.00 H new ATOM 127 N CYS A 9 -2.789 -0.780 3.394 1.00 0.00 N ATOM 128 CA CYS A 9 -3.405 -0.399 2.147 1.00 0.00 C ATOM 129 C CYS A 9 -4.504 -1.405 1.896 1.00 0.00 C ATOM 130 O CYS A 9 -4.548 -2.442 2.569 1.00 0.00 O ATOM 131 CB CYS A 9 -2.379 -0.409 1.009 1.00 0.00 C ATOM 132 SG CYS A 9 -2.965 0.264 -0.597 1.00 0.00 S ATOM 0 H CYS A 9 -2.856 -1.776 3.605 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.805 0.614 2.195 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.507 0.163 1.325 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.047 -1.435 0.853 1.00 0.00 H new ATOM 137 N SER A 10 -5.410 -1.122 1.017 1.00 0.00 N ATOM 138 CA SER A 10 -6.507 -2.024 0.731 1.00 0.00 C ATOM 139 C SER A 10 -7.036 -1.710 -0.646 1.00 0.00 C ATOM 140 O SER A 10 -6.775 -0.648 -1.158 1.00 0.00 O ATOM 141 CB SER A 10 -7.644 -1.800 1.742 1.00 0.00 C ATOM 142 OG SER A 10 -7.173 -1.812 3.072 1.00 0.00 O ATOM 0 H SER A 10 -5.421 -0.261 0.470 1.00 0.00 H new ATOM 0 HA SER A 10 -6.156 -3.054 0.792 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.130 -0.846 1.537 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.400 -2.576 1.617 1.00 0.00 H new ATOM 0 HG SER A 10 -7.847 -2.222 3.654 1.00 0.00 H new ATOM 148 N LEU A 11 -7.806 -2.612 -1.219 1.00 0.00 N ATOM 149 CA LEU A 11 -8.466 -2.371 -2.515 1.00 0.00 C ATOM 150 C LEU A 11 -9.391 -1.149 -2.446 1.00 0.00 C ATOM 151 O LEU A 11 -9.651 -0.499 -3.445 1.00 0.00 O ATOM 152 CB LEU A 11 -9.286 -3.600 -2.934 1.00 0.00 C ATOM 153 CG LEU A 11 -8.506 -4.889 -3.187 1.00 0.00 C ATOM 154 CD1 LEU A 11 -9.458 -6.034 -3.498 1.00 0.00 C ATOM 155 CD2 LEU A 11 -7.529 -4.698 -4.333 1.00 0.00 C ATOM 0 H LEU A 11 -8.000 -3.529 -0.816 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.686 -2.182 -3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.026 -3.796 -2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.835 -3.350 -3.842 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.946 -5.135 -2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.886 -6.945 -3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.131 -6.187 -2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.040 -5.792 -4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.980 -5.625 -4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.076 -4.431 -5.237 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.828 -3.901 -4.084 1.00 0.00 H new ATOM 167 N PHE A 12 -9.881 -0.858 -1.253 1.00 0.00 N ATOM 168 CA PHE A 12 -10.783 0.266 -1.041 1.00 0.00 C ATOM 169 C PHE A 12 -10.064 1.416 -0.349 1.00 0.00 C ATOM 170 O PHE A 12 -10.662 2.437 -0.028 1.00 0.00 O ATOM 171 CB PHE A 12 -11.990 -0.189 -0.217 1.00 0.00 C ATOM 172 CG PHE A 12 -12.743 -1.313 -0.864 1.00 0.00 C ATOM 173 CD1 PHE A 12 -12.507 -2.629 -0.501 1.00 0.00 C ATOM 174 CD2 PHE A 12 -13.663 -1.055 -1.857 1.00 0.00 C ATOM 175 CE1 PHE A 12 -13.176 -3.659 -1.121 1.00 0.00 C ATOM 176 CE2 PHE A 12 -14.338 -2.079 -2.475 1.00 0.00 C ATOM 177 CZ PHE A 12 -14.091 -3.384 -2.109 1.00 0.00 C ATOM 0 H PHE A 12 -9.668 -1.389 -0.408 1.00 0.00 H new ATOM 0 HA PHE A 12 -11.129 0.625 -2.010 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.652 -0.504 0.770 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.663 0.656 -0.069 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.790 -2.849 0.277 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -13.856 -0.034 -2.153 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.983 -4.681 -0.832 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -15.061 -1.862 -3.247 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.616 -4.191 -2.598 1.00 0.00 H new ATOM 187 N ARG A 13 -8.792 1.231 -0.085 1.00 0.00 N ATOM 188 CA ARG A 13 -7.958 2.246 0.545 1.00 0.00 C ATOM 189 C ARG A 13 -6.596 2.224 -0.131 1.00 0.00 C ATOM 190 O ARG A 13 -5.660 1.617 0.382 1.00 0.00 O ATOM 191 CB ARG A 13 -7.732 2.019 2.079 1.00 0.00 C ATOM 192 CG ARG A 13 -8.913 2.176 3.062 1.00 0.00 C ATOM 193 CD ARG A 13 -9.976 1.101 2.921 1.00 0.00 C ATOM 194 NE ARG A 13 -10.815 1.009 4.119 1.00 0.00 N ATOM 195 CZ ARG A 13 -12.153 1.031 4.158 1.00 0.00 C ATOM 196 NH1 ARG A 13 -12.865 1.427 3.105 1.00 0.00 N ATOM 197 NH2 ARG A 13 -12.775 0.719 5.284 1.00 0.00 N ATOM 0 H ARG A 13 -8.296 0.366 -0.301 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.478 3.197 0.432 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.338 1.010 2.203 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.950 2.709 2.398 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.529 2.162 4.082 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.374 3.152 2.908 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.601 1.318 2.055 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.498 0.139 2.736 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.331 0.919 5.012 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.392 1.720 2.250 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.884 1.437 3.153 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.235 0.465 6.111 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.794 0.733 5.324 1.00 0.00 H new ATOM 211 N ILE A 14 -6.498 2.821 -1.288 1.00 0.00 N ATOM 212 CA ILE A 14 -5.241 2.842 -2.033 1.00 0.00 C ATOM 213 C ILE A 14 -4.601 4.205 -1.945 1.00 0.00 C ATOM 214 O ILE A 14 -3.480 4.413 -2.411 1.00 0.00 O ATOM 215 CB ILE A 14 -5.424 2.461 -3.530 1.00 0.00 C ATOM 216 CG1 ILE A 14 -6.502 3.338 -4.193 1.00 0.00 C ATOM 217 CG2 ILE A 14 -5.754 0.982 -3.675 1.00 0.00 C ATOM 218 CD1 ILE A 14 -6.700 3.081 -5.673 1.00 0.00 C ATOM 0 H ILE A 14 -7.270 3.305 -1.747 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.597 2.092 -1.574 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.481 2.646 -4.045 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -7.450 3.177 -3.679 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.237 4.386 -4.052 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.878 0.739 -4.730 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.943 0.386 -3.258 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.678 0.761 -3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.477 3.742 -6.056 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.767 3.272 -6.203 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.999 2.044 -5.825 1.00 0.00 H new ATOM 230 N GLY A 15 -5.306 5.127 -1.314 1.00 0.00 N ATOM 231 CA GLY A 15 -4.832 6.486 -1.184 1.00 0.00 C ATOM 232 C GLY A 15 -3.675 6.624 -0.219 1.00 0.00 C ATOM 233 O GLY A 15 -3.042 7.671 -0.154 1.00 0.00 O ATOM 0 H GLY A 15 -6.214 4.954 -0.882 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.525 6.852 -2.164 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.653 7.120 -0.850 1.00 0.00 H new ATOM 237 N LEU A 16 -3.418 5.576 0.550 1.00 0.00 N ATOM 238 CA LEU A 16 -2.304 5.564 1.474 1.00 0.00 C ATOM 239 C LEU A 16 -0.999 5.617 0.702 1.00 0.00 C ATOM 240 O LEU A 16 -0.116 6.421 1.006 1.00 0.00 O ATOM 241 CB LEU A 16 -2.315 4.319 2.387 1.00 0.00 C ATOM 242 CG LEU A 16 -3.430 4.186 3.445 1.00 0.00 C ATOM 243 CD1 LEU A 16 -3.550 5.430 4.297 1.00 0.00 C ATOM 244 CD2 LEU A 16 -4.758 3.808 2.834 1.00 0.00 C ATOM 0 H LEU A 16 -3.972 4.720 0.549 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.400 6.442 2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.361 3.439 1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.359 4.283 2.908 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.136 3.367 4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.346 5.294 5.029 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.608 5.609 4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.783 6.285 3.662 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.510 3.727 3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.061 4.573 2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.663 2.851 2.322 1.00 0.00 H new ATOM 256 N CYS A 17 -0.904 4.791 -0.323 1.00 0.00 N ATOM 257 CA CYS A 17 0.283 4.745 -1.131 1.00 0.00 C ATOM 258 C CYS A 17 0.158 5.811 -2.196 1.00 0.00 C ATOM 259 O CYS A 17 -0.472 5.600 -3.237 1.00 0.00 O ATOM 260 CB CYS A 17 0.467 3.348 -1.765 1.00 0.00 C ATOM 261 SG CYS A 17 0.305 1.959 -0.577 1.00 0.00 S ATOM 0 H CYS A 17 -1.640 4.145 -0.610 1.00 0.00 H new ATOM 0 HA CYS A 17 1.163 4.931 -0.516 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.269 3.221 -2.558 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.451 3.300 -2.232 1.00 0.00 H new ATOM 266 N GLY A 18 0.709 6.976 -1.923 1.00 0.00 N ATOM 267 CA GLY A 18 0.583 8.081 -2.833 1.00 0.00 C ATOM 268 C GLY A 18 1.544 7.987 -3.987 1.00 0.00 C ATOM 269 O GLY A 18 2.518 8.724 -4.034 1.00 0.00 O ATOM 0 H GLY A 18 1.246 7.176 -1.079 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.437 8.119 -3.215 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.756 9.013 -2.295 1.00 0.00 H new ATOM 273 N ASP A 19 1.309 7.008 -4.873 1.00 0.00 N ATOM 274 CA ASP A 19 2.071 6.751 -6.127 1.00 0.00 C ATOM 275 C ASP A 19 3.481 6.205 -5.864 1.00 0.00 C ATOM 276 O ASP A 19 4.072 5.540 -6.701 1.00 0.00 O ATOM 277 CB ASP A 19 2.118 8.016 -6.981 1.00 0.00 C ATOM 278 CG ASP A 19 2.740 7.821 -8.356 1.00 0.00 C ATOM 279 OD1 ASP A 19 3.971 7.935 -8.496 1.00 0.00 O ATOM 280 OD2 ASP A 19 1.985 7.583 -9.336 1.00 0.00 O ATOM 0 H ASP A 19 0.551 6.338 -4.739 1.00 0.00 H new ATOM 0 HA ASP A 19 1.542 5.972 -6.675 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.103 8.395 -7.105 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.681 8.781 -6.446 1.00 0.00 H new ATOM 285 N LYS A 20 3.962 6.445 -4.673 1.00 0.00 N ATOM 286 CA LYS A 20 5.314 6.078 -4.255 1.00 0.00 C ATOM 287 C LYS A 20 5.512 4.574 -4.209 1.00 0.00 C ATOM 288 O LYS A 20 6.593 4.068 -4.504 1.00 0.00 O ATOM 289 CB LYS A 20 5.616 6.658 -2.879 1.00 0.00 C ATOM 290 CG LYS A 20 5.490 8.164 -2.799 1.00 0.00 C ATOM 291 CD LYS A 20 5.770 8.646 -1.400 1.00 0.00 C ATOM 292 CE LYS A 20 5.469 10.126 -1.257 1.00 0.00 C ATOM 293 NZ LYS A 20 5.687 10.605 0.119 1.00 0.00 N ATOM 0 H LYS A 20 3.424 6.910 -3.942 1.00 0.00 H new ATOM 0 HA LYS A 20 5.997 6.490 -4.998 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.940 6.209 -2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.628 6.374 -2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.186 8.630 -3.496 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.487 8.467 -3.100 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.167 8.080 -0.690 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.815 8.459 -1.151 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.101 10.692 -1.942 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.435 10.315 -1.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.470 11.621 0.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.066 10.084 0.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.680 10.449 0.388 1.00 0.00 H new ATOM 307 N CYS A 21 4.487 3.863 -3.855 1.00 0.00 N ATOM 308 CA CYS A 21 4.593 2.436 -3.708 1.00 0.00 C ATOM 309 C CYS A 21 3.376 1.759 -4.282 1.00 0.00 C ATOM 310 O CYS A 21 2.470 2.430 -4.791 1.00 0.00 O ATOM 311 CB CYS A 21 4.720 2.067 -2.242 1.00 0.00 C ATOM 312 SG CYS A 21 6.133 2.791 -1.358 1.00 0.00 S ATOM 0 H CYS A 21 3.561 4.245 -3.661 1.00 0.00 H new ATOM 0 HA CYS A 21 5.481 2.103 -4.246 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.805 2.367 -1.732 1.00 0.00 H new ATOM 0 HB3 CYS A 21 4.786 0.982 -2.165 1.00 0.00 H new ATOM 317 N THR A 22 3.360 0.461 -4.204 1.00 0.00 N ATOM 318 CA THR A 22 2.280 -0.347 -4.680 1.00 0.00 C ATOM 319 C THR A 22 1.830 -1.206 -3.498 1.00 0.00 C ATOM 320 O THR A 22 2.657 -1.540 -2.646 1.00 0.00 O ATOM 321 CB THR A 22 2.802 -1.266 -5.812 1.00 0.00 C ATOM 322 OG1 THR A 22 3.541 -0.480 -6.770 1.00 0.00 O ATOM 323 CG2 THR A 22 1.658 -1.973 -6.527 1.00 0.00 C ATOM 0 H THR A 22 4.122 -0.079 -3.795 1.00 0.00 H new ATOM 0 HA THR A 22 1.460 0.260 -5.065 1.00 0.00 H new ATOM 0 HB THR A 22 3.447 -2.021 -5.361 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.872 -1.063 -7.485 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.060 -2.610 -7.315 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.105 -2.584 -5.813 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.989 -1.232 -6.965 1.00 0.00 H new ATOM 331 N CYS A 23 0.569 -1.526 -3.386 1.00 0.00 N ATOM 332 CA CYS A 23 0.171 -2.367 -2.289 1.00 0.00 C ATOM 333 C CYS A 23 -0.389 -3.682 -2.747 1.00 0.00 C ATOM 334 O CYS A 23 -1.211 -3.745 -3.673 1.00 0.00 O ATOM 335 CB CYS A 23 -0.770 -1.671 -1.305 1.00 0.00 C ATOM 336 SG CYS A 23 -2.378 -1.121 -1.962 1.00 0.00 S ATOM 0 H CYS A 23 -0.177 -1.230 -4.015 1.00 0.00 H new ATOM 0 HA CYS A 23 1.090 -2.578 -1.742 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.956 -2.351 -0.474 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.254 -0.802 -0.897 1.00 0.00 H new ATOM 341 N VAL A 24 0.083 -4.730 -2.119 1.00 0.00 N ATOM 342 CA VAL A 24 -0.369 -6.053 -2.394 1.00 0.00 C ATOM 343 C VAL A 24 -1.425 -6.449 -1.349 1.00 0.00 C ATOM 344 O VAL A 24 -1.145 -6.498 -0.139 1.00 0.00 O ATOM 345 CB VAL A 24 0.817 -7.081 -2.458 1.00 0.00 C ATOM 346 CG1 VAL A 24 1.680 -7.060 -1.199 1.00 0.00 C ATOM 347 CG2 VAL A 24 0.303 -8.486 -2.731 1.00 0.00 C ATOM 0 H VAL A 24 0.800 -4.678 -1.396 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.827 -6.073 -3.383 1.00 0.00 H new ATOM 0 HB VAL A 24 1.454 -6.772 -3.287 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.484 -7.789 -1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.106 -6.066 -1.066 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.067 -7.310 -0.333 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.143 -9.179 -2.771 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.378 -8.786 -1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.225 -8.501 -3.684 1.00 0.00 H new ATOM 357 N PRO A 25 -2.671 -6.629 -1.788 1.00 0.00 N ATOM 358 CA PRO A 25 -3.756 -7.017 -0.921 1.00 0.00 C ATOM 359 C PRO A 25 -3.880 -8.533 -0.796 1.00 0.00 C ATOM 360 O PRO A 25 -3.555 -9.287 -1.731 1.00 0.00 O ATOM 361 CB PRO A 25 -4.971 -6.422 -1.625 1.00 0.00 C ATOM 362 CG PRO A 25 -4.636 -6.486 -3.077 1.00 0.00 C ATOM 363 CD PRO A 25 -3.130 -6.441 -3.185 1.00 0.00 C ATOM 0 HA PRO A 25 -3.625 -6.668 0.103 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.875 -6.989 -1.402 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.151 -5.396 -1.305 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.027 -7.400 -3.523 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.086 -5.651 -3.614 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -2.752 -7.226 -3.840 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.786 -5.491 -3.595 1.00 0.00 H new ATOM 371 N LEU A 26 -4.318 -8.984 0.351 1.00 0.00 N ATOM 372 CA LEU A 26 -4.493 -10.385 0.575 1.00 0.00 C ATOM 373 C LEU A 26 -5.736 -10.686 1.436 1.00 0.00 C ATOM 374 O LEU A 26 -5.660 -10.703 2.664 1.00 0.00 O ATOM 375 CB LEU A 26 -3.215 -11.042 1.197 1.00 0.00 C ATOM 376 CG LEU A 26 -2.655 -10.462 2.527 1.00 0.00 C ATOM 377 CD1 LEU A 26 -1.694 -11.445 3.150 1.00 0.00 C ATOM 378 CD2 LEU A 26 -1.916 -9.147 2.297 1.00 0.00 C ATOM 0 H LEU A 26 -4.560 -8.392 1.146 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.655 -10.833 -0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.431 -12.098 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.420 -10.991 0.453 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.503 -10.281 3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.305 -11.033 4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.213 -12.381 3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.868 -11.632 2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.538 -8.771 3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.082 -9.313 1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.599 -8.417 1.863 1.00 0.00 H new ATOM 390 N PRO A 27 -6.925 -10.845 0.810 1.00 0.00 N ATOM 391 CA PRO A 27 -7.153 -10.549 -0.604 1.00 0.00 C ATOM 392 C PRO A 27 -7.631 -9.092 -0.811 1.00 0.00 C ATOM 393 O PRO A 27 -7.511 -8.539 -1.903 1.00 0.00 O ATOM 394 CB PRO A 27 -8.287 -11.524 -0.992 1.00 0.00 C ATOM 395 CG PRO A 27 -8.676 -12.241 0.272 1.00 0.00 C ATOM 396 CD PRO A 27 -8.117 -11.444 1.410 1.00 0.00 C ATOM 0 HA PRO A 27 -6.246 -10.660 -1.199 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.137 -10.985 -1.411 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.951 -12.229 -1.752 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.760 -12.322 0.353 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.279 -13.256 0.279 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -8.819 -10.688 1.762 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.870 -12.073 2.265 1.00 0.00 H new ATOM 404 N ILE A 28 -8.125 -8.472 0.255 1.00 0.00 N ATOM 405 CA ILE A 28 -8.701 -7.130 0.172 1.00 0.00 C ATOM 406 C ILE A 28 -7.791 -6.090 0.835 1.00 0.00 C ATOM 407 O ILE A 28 -7.531 -5.014 0.276 1.00 0.00 O ATOM 408 CB ILE A 28 -10.112 -7.093 0.829 1.00 0.00 C ATOM 409 CG1 ILE A 28 -11.040 -8.108 0.136 1.00 0.00 C ATOM 410 CG2 ILE A 28 -10.710 -5.685 0.764 1.00 0.00 C ATOM 411 CD1 ILE A 28 -12.414 -8.225 0.761 1.00 0.00 C ATOM 0 H ILE A 28 -8.139 -8.877 1.191 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.795 -6.880 -0.885 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.012 -7.365 1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.153 -7.824 -0.910 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -10.563 -9.088 0.151 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.696 -5.686 1.230 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.060 -4.989 1.293 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.801 -5.376 -0.277 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -13.002 -8.960 0.212 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -12.316 -8.541 1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -12.915 -7.258 0.722 1.00 0.00 H new ATOM 423 N PHE A 29 -7.322 -6.411 2.014 1.00 0.00 N ATOM 424 CA PHE A 29 -6.441 -5.546 2.778 1.00 0.00 C ATOM 425 C PHE A 29 -5.016 -6.036 2.586 1.00 0.00 C ATOM 426 O PHE A 29 -4.800 -7.238 2.410 1.00 0.00 O ATOM 427 CB PHE A 29 -6.814 -5.579 4.280 1.00 0.00 C ATOM 428 CG PHE A 29 -8.206 -5.067 4.608 1.00 0.00 C ATOM 429 CD1 PHE A 29 -8.401 -3.753 4.996 1.00 0.00 C ATOM 430 CD2 PHE A 29 -9.313 -5.899 4.535 1.00 0.00 C ATOM 431 CE1 PHE A 29 -9.660 -3.277 5.301 1.00 0.00 C ATOM 432 CE2 PHE A 29 -10.577 -5.428 4.837 1.00 0.00 C ATOM 433 CZ PHE A 29 -10.749 -4.116 5.220 1.00 0.00 C ATOM 0 H PHE A 29 -7.541 -7.291 2.482 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.540 -4.518 2.430 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.727 -6.605 4.638 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.086 -4.986 4.833 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.553 -3.088 5.061 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.186 -6.930 4.238 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.791 -2.248 5.603 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -11.429 -6.088 4.773 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.736 -3.746 5.456 1.00 0.00 H new ATOM 443 N GLY A 30 -4.060 -5.142 2.580 1.00 0.00 N ATOM 444 CA GLY A 30 -2.706 -5.552 2.374 1.00 0.00 C ATOM 445 C GLY A 30 -1.701 -4.554 2.846 1.00 0.00 C ATOM 446 O GLY A 30 -2.043 -3.567 3.510 1.00 0.00 O ATOM 0 H GLY A 30 -4.197 -4.140 2.714 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.538 -6.497 2.892 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.549 -5.738 1.312 1.00 0.00 H new ATOM 450 N LEU A 31 -0.478 -4.787 2.472 1.00 0.00 N ATOM 451 CA LEU A 31 0.624 -3.961 2.865 1.00 0.00 C ATOM 452 C LEU A 31 1.181 -3.244 1.652 1.00 0.00 C ATOM 453 O LEU A 31 0.990 -3.694 0.512 1.00 0.00 O ATOM 454 CB LEU A 31 1.691 -4.807 3.619 1.00 0.00 C ATOM 455 CG LEU A 31 2.281 -6.055 2.909 1.00 0.00 C ATOM 456 CD1 LEU A 31 3.320 -5.689 1.854 1.00 0.00 C ATOM 457 CD2 LEU A 31 2.864 -7.027 3.923 1.00 0.00 C ATOM 0 H LEU A 31 -0.214 -5.570 1.875 1.00 0.00 H new ATOM 0 HA LEU A 31 0.288 -3.195 3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.520 -4.146 3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.249 -5.138 4.559 1.00 0.00 H new ATOM 0 HG LEU A 31 1.457 -6.542 2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.701 -6.598 1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.860 -5.057 1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.143 -5.151 2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.272 -7.894 3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.658 -6.534 4.485 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.081 -7.350 4.609 1.00 0.00 H new ATOM 469 N CYS A 32 1.828 -2.144 1.870 1.00 0.00 N ATOM 470 CA CYS A 32 2.366 -1.373 0.789 1.00 0.00 C ATOM 471 C CYS A 32 3.866 -1.649 0.684 1.00 0.00 C ATOM 472 O CYS A 32 4.549 -1.829 1.710 1.00 0.00 O ATOM 473 CB CYS A 32 2.080 0.107 1.036 1.00 0.00 C ATOM 474 SG CYS A 32 2.168 1.167 -0.442 1.00 0.00 S ATOM 0 H CYS A 32 1.999 -1.754 2.797 1.00 0.00 H new ATOM 0 HA CYS A 32 1.900 -1.652 -0.156 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.086 0.201 1.473 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.790 0.480 1.775 1.00 0.00 H new ATOM 479 N VAL A 33 4.361 -1.737 -0.520 1.00 0.00 N ATOM 480 CA VAL A 33 5.752 -2.026 -0.760 1.00 0.00 C ATOM 481 C VAL A 33 6.267 -1.164 -1.928 1.00 0.00 C ATOM 482 O VAL A 33 5.544 -0.955 -2.917 1.00 0.00 O ATOM 483 CB VAL A 33 5.955 -3.565 -1.055 1.00 0.00 C ATOM 484 CG1 VAL A 33 5.163 -4.030 -2.275 1.00 0.00 C ATOM 485 CG2 VAL A 33 7.429 -3.932 -1.197 1.00 0.00 C ATOM 0 H VAL A 33 3.809 -1.610 -1.368 1.00 0.00 H new ATOM 0 HA VAL A 33 6.328 -1.781 0.132 1.00 0.00 H new ATOM 0 HB VAL A 33 5.562 -4.093 -0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.335 -5.094 -2.437 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.100 -3.856 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.487 -3.472 -3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.520 -4.999 -1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.867 -3.368 -2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.955 -3.691 -0.273 1.00 0.00 H new ATOM 495 N PRO A 34 7.452 -0.547 -1.785 1.00 0.00 N ATOM 496 CA PRO A 34 8.077 0.174 -2.883 1.00 0.00 C ATOM 497 C PRO A 34 8.503 -0.811 -3.962 1.00 0.00 C ATOM 498 O PRO A 34 8.996 -1.903 -3.659 1.00 0.00 O ATOM 499 CB PRO A 34 9.303 0.849 -2.243 1.00 0.00 C ATOM 500 CG PRO A 34 9.572 0.077 -0.995 1.00 0.00 C ATOM 501 CD PRO A 34 8.249 -0.475 -0.542 1.00 0.00 C ATOM 0 HA PRO A 34 7.413 0.897 -3.357 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.161 0.823 -2.914 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.104 1.897 -2.021 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.284 -0.727 -1.182 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.008 0.718 -0.229 1.00 0.00 H new ATOM 0 HD2 PRO A 34 8.362 -1.457 -0.082 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.778 0.172 0.198 1.00 0.00 H new ATOM 509 N ASP A 35 8.325 -0.444 -5.201 1.00 0.00 N ATOM 510 CA ASP A 35 8.624 -1.347 -6.296 1.00 0.00 C ATOM 511 C ASP A 35 10.103 -1.314 -6.548 1.00 0.00 C ATOM 512 O ASP A 35 10.735 -2.329 -6.862 1.00 0.00 O ATOM 513 CB ASP A 35 7.871 -0.922 -7.549 1.00 0.00 C ATOM 514 CG ASP A 35 7.956 -1.939 -8.665 1.00 0.00 C ATOM 515 OD1 ASP A 35 7.111 -2.877 -8.696 1.00 0.00 O ATOM 516 OD2 ASP A 35 8.803 -1.803 -9.552 1.00 0.00 O ATOM 0 H ASP A 35 7.975 0.471 -5.485 1.00 0.00 H new ATOM 0 HA ASP A 35 8.312 -2.359 -6.037 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.824 -0.754 -7.297 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.271 0.029 -7.901 1.00 0.00 H new ATOM 521 N VAL A 36 10.657 -0.149 -6.365 1.00 0.00 N ATOM 522 CA VAL A 36 12.049 0.063 -6.536 1.00 0.00 C ATOM 523 C VAL A 36 12.650 0.413 -5.169 1.00 0.00 C ATOM 524 O VAL A 36 12.732 1.610 -4.818 1.00 0.00 O ATOM 525 CB VAL A 36 12.325 1.202 -7.555 1.00 0.00 C ATOM 526 CG1 VAL A 36 13.805 1.347 -7.801 1.00 0.00 C ATOM 527 CG2 VAL A 36 11.587 0.958 -8.870 1.00 0.00 C ATOM 528 OXT VAL A 36 12.998 -0.513 -4.418 1.00 0.00 O ATOM 0 H VAL A 36 10.139 0.685 -6.089 1.00 0.00 H new ATOM 0 HA VAL A 36 12.508 -0.843 -6.933 1.00 0.00 H new ATOM 0 HB VAL A 36 11.951 2.131 -7.126 1.00 0.00 H new ATOM 0 HG11 VAL A 36 13.978 2.150 -8.518 1.00 0.00 H new ATOM 0 HG12 VAL A 36 14.308 1.583 -6.863 1.00 0.00 H new ATOM 0 HG13 VAL A 36 14.201 0.413 -8.200 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.800 1.772 -9.563 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.920 0.015 -9.304 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.514 0.912 -8.682 1.00 0.00 H new TER 538 VAL A 36