USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 271 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 21 ASN : amide:sc= 1.84 K(o=2,f=-8!) USER MOD Set 1.2: A 24 THR OG1 : rot -44:sc= 0.143 USER MOD Set 2.1: A 14 ASN : amide:sc= 1.68 K(o=2.9,f=-9.3!) USER MOD Set 2.2: A 16 THR OG1 : rot 98:sc= 1.21 USER MOD Single : A 1 LYS N :NH3+ -122:sc= 0.739 (180deg=-1.09!) USER MOD Single : A 1 LYS NZ :NH3+ -163:sc= 2.24 (180deg=1.5) USER MOD Single : A 8 LYS NZ :NH3+ 144:sc= -0.609! (180deg=-0.826) USER MOD Single : A 10 MET CE :methyl 174:sc= 0 (180deg=-0.0232) USER MOD Single : A 13 SER OG : rot 79:sc= 1.88 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HE2:sc= -0.252 K(o=-0.25,f=-2.6) USER MOD Single : A 25 ASN : amide:sc= 0.688 K(o=0.69,f=-0.11) USER MOD Single : A 27 SER OG : rot 7:sc= 0.171 USER MOD Single : A 28 GLN : amide:sc= 0.819 K(o=0.82,f=-7.8!) USER MOD Single : A 33 SER OG : rot 57:sc= 0.31 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -12.080 2.397 -4.271 1.00 0.00 N ATOM 2 CA LYS A 1 -10.606 2.380 -4.153 1.00 0.00 C ATOM 3 C LYS A 1 -10.020 1.522 -5.280 1.00 0.00 C ATOM 4 O LYS A 1 -10.015 1.990 -6.413 1.00 0.00 O ATOM 5 CB LYS A 1 -10.134 1.939 -2.751 1.00 0.00 C ATOM 6 CG LYS A 1 -10.473 2.919 -1.619 1.00 0.00 C ATOM 7 CD LYS A 1 -10.177 2.273 -0.251 1.00 0.00 C ATOM 8 CE LYS A 1 -9.727 3.270 0.824 1.00 0.00 C ATOM 9 NZ LYS A 1 -8.293 3.614 0.675 1.00 0.00 N ATOM 0 H1 LYS A 1 -12.409 3.379 -4.367 1.00 0.00 H new ATOM 0 H2 LYS A 1 -12.368 1.852 -5.109 1.00 0.00 H new ATOM 0 H3 LYS A 1 -12.501 1.972 -3.420 1.00 0.00 H new ATOM 0 HA LYS A 1 -10.230 3.397 -4.267 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -10.580 0.972 -2.521 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -9.054 1.794 -2.776 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -9.890 3.833 -1.732 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -11.524 3.203 -1.676 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -11.072 1.758 0.097 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -9.403 1.516 -0.378 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -10.329 4.176 0.757 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -9.900 2.845 1.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -7.946 4.046 1.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -7.748 2.751 0.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -8.177 4.287 -0.110 1.00 0.00 H new ATOM 25 N LEU A 2 -9.524 0.311 -4.988 1.00 0.00 N ATOM 26 CA LEU A 2 -9.013 -0.677 -5.939 1.00 0.00 C ATOM 27 C LEU A 2 -9.389 -2.122 -5.457 1.00 0.00 C ATOM 28 O LEU A 2 -9.800 -2.296 -4.305 1.00 0.00 O ATOM 29 CB LEU A 2 -7.485 -0.519 -6.223 1.00 0.00 C ATOM 30 CG LEU A 2 -6.862 0.854 -6.562 1.00 0.00 C ATOM 31 CD1 LEU A 2 -6.634 1.829 -5.400 1.00 0.00 C ATOM 32 CD2 LEU A 2 -5.472 0.592 -7.166 1.00 0.00 C ATOM 0 H LEU A 2 -9.467 -0.021 -4.025 1.00 0.00 H new ATOM 0 HA LEU A 2 -9.495 -0.498 -6.900 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.960 -0.897 -5.346 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.246 -1.188 -7.050 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.591 1.329 -7.218 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.193 2.751 -5.780 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.587 2.054 -4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.960 1.377 -4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.000 1.542 -7.419 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -4.854 0.061 -6.441 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.575 -0.013 -8.067 1.00 0.00 H new ATOM 44 N PRO A 3 -9.240 -3.152 -6.320 1.00 0.00 N ATOM 45 CA PRO A 3 -9.705 -4.542 -6.177 1.00 0.00 C ATOM 46 C PRO A 3 -9.131 -5.481 -5.091 1.00 0.00 C ATOM 47 O PRO A 3 -8.039 -5.265 -4.553 1.00 0.00 O ATOM 48 CB PRO A 3 -9.213 -5.197 -7.482 1.00 0.00 C ATOM 49 CG PRO A 3 -9.298 -4.103 -8.521 1.00 0.00 C ATOM 50 CD PRO A 3 -8.762 -2.964 -7.677 1.00 0.00 C ATOM 0 HA PRO A 3 -10.761 -4.449 -5.923 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.192 -5.566 -7.379 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.834 -6.050 -7.755 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.687 -4.304 -9.401 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.315 -3.929 -8.873 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -7.672 -2.952 -7.700 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -9.099 -2.005 -8.071 1.00 0.00 H new ATOM 58 N PRO A 4 -9.817 -6.624 -4.866 1.00 0.00 N ATOM 59 CA PRO A 4 -9.296 -7.731 -4.072 1.00 0.00 C ATOM 60 C PRO A 4 -8.095 -8.300 -4.851 1.00 0.00 C ATOM 61 O PRO A 4 -8.109 -8.360 -6.083 1.00 0.00 O ATOM 62 CB PRO A 4 -10.441 -8.735 -3.907 1.00 0.00 C ATOM 63 CG PRO A 4 -11.332 -8.458 -5.114 1.00 0.00 C ATOM 64 CD PRO A 4 -11.164 -6.954 -5.328 1.00 0.00 C ATOM 0 HA PRO A 4 -8.953 -7.450 -3.076 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.077 -9.762 -3.904 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -10.976 -8.584 -2.970 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -11.016 -9.028 -5.988 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.371 -8.724 -4.918 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -11.290 -6.694 -6.379 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -11.915 -6.395 -4.769 1.00 0.00 H new ATOM 72 N GLY A 5 -7.032 -8.676 -4.139 1.00 0.00 N ATOM 73 CA GLY A 5 -5.734 -9.020 -4.727 1.00 0.00 C ATOM 74 C GLY A 5 -4.674 -7.971 -4.395 1.00 0.00 C ATOM 75 O GLY A 5 -3.493 -8.313 -4.333 1.00 0.00 O ATOM 0 H GLY A 5 -7.047 -8.752 -3.122 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.412 -9.994 -4.357 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -5.835 -9.107 -5.809 1.00 0.00 H new ATOM 79 N TRP A 6 -5.058 -6.707 -4.156 1.00 0.00 N ATOM 80 CA TRP A 6 -4.119 -5.732 -3.609 1.00 0.00 C ATOM 81 C TRP A 6 -3.883 -6.005 -2.112 1.00 0.00 C ATOM 82 O TRP A 6 -4.836 -6.110 -1.343 1.00 0.00 O ATOM 83 CB TRP A 6 -4.682 -4.340 -3.846 1.00 0.00 C ATOM 84 CG TRP A 6 -4.615 -3.869 -5.261 1.00 0.00 C ATOM 85 CD1 TRP A 6 -5.618 -3.840 -6.163 1.00 0.00 C ATOM 86 CD2 TRP A 6 -3.484 -3.243 -5.914 1.00 0.00 C ATOM 87 NE1 TRP A 6 -5.178 -3.242 -7.325 1.00 0.00 N ATOM 88 CE2 TRP A 6 -3.864 -2.848 -7.228 1.00 0.00 C ATOM 89 CE3 TRP A 6 -2.172 -2.965 -5.503 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -2.975 -2.212 -8.107 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -1.275 -2.341 -6.374 1.00 0.00 C ATOM 92 CH2 TRP A 6 -1.663 -1.960 -7.672 1.00 0.00 C ATOM 0 H TRP A 6 -5.996 -6.347 -4.331 1.00 0.00 H new ATOM 0 HA TRP A 6 -3.152 -5.811 -4.105 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -5.723 -4.324 -3.522 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -4.141 -3.633 -3.217 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -6.613 -4.226 -6.000 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -5.756 -3.108 -8.155 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -1.853 -3.235 -4.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -3.292 -1.922 -9.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -0.265 -2.147 -6.045 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -0.956 -1.477 -8.330 1.00 0.00 H new ATOM 103 N GLU A 7 -2.616 -6.084 -1.689 1.00 0.00 N ATOM 104 CA GLU A 7 -2.211 -6.389 -0.309 1.00 0.00 C ATOM 105 C GLU A 7 -1.014 -5.512 0.108 1.00 0.00 C ATOM 106 O GLU A 7 -0.177 -5.155 -0.723 1.00 0.00 O ATOM 107 CB GLU A 7 -1.869 -7.894 -0.214 1.00 0.00 C ATOM 108 CG GLU A 7 -2.217 -8.561 1.127 1.00 0.00 C ATOM 109 CD GLU A 7 -1.338 -8.099 2.291 1.00 0.00 C ATOM 110 OE1 GLU A 7 -0.218 -8.644 2.462 1.00 0.00 O ATOM 111 OE2 GLU A 7 -1.746 -7.160 3.015 1.00 0.00 O ATOM 0 H GLU A 7 -1.822 -5.934 -2.312 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.028 -6.166 0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.394 -8.421 -1.011 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.802 -8.020 -0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.260 -8.353 1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.124 -9.642 1.020 1.00 0.00 H new ATOM 118 N LYS A 8 -0.928 -5.171 1.400 1.00 0.00 N ATOM 119 CA LYS A 8 0.140 -4.382 2.026 1.00 0.00 C ATOM 120 C LYS A 8 1.508 -5.054 1.846 1.00 0.00 C ATOM 121 O LYS A 8 1.642 -6.264 2.028 1.00 0.00 O ATOM 122 CB LYS A 8 -0.251 -4.125 3.504 1.00 0.00 C ATOM 123 CG LYS A 8 0.874 -3.837 4.519 1.00 0.00 C ATOM 124 CD LYS A 8 1.092 -4.949 5.568 1.00 0.00 C ATOM 125 CE LYS A 8 1.495 -6.329 5.019 1.00 0.00 C ATOM 126 NZ LYS A 8 0.334 -7.187 4.664 1.00 0.00 N ATOM 0 H LYS A 8 -1.640 -5.454 2.073 1.00 0.00 H new ATOM 0 HA LYS A 8 0.246 -3.414 1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.940 -3.281 3.523 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.803 -4.996 3.858 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.805 -3.681 3.975 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.648 -2.905 5.038 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.863 -4.618 6.263 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.173 -5.064 6.142 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.119 -6.192 4.136 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.103 -6.844 5.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.563 -7.750 3.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.118 -7.824 5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.493 -6.588 4.466 1.00 0.00 H new ATOM 140 N ARG A 9 2.540 -4.251 1.563 1.00 0.00 N ATOM 141 CA ARG A 9 3.964 -4.617 1.514 1.00 0.00 C ATOM 142 C ARG A 9 4.809 -3.455 2.057 1.00 0.00 C ATOM 143 O ARG A 9 4.289 -2.367 2.299 1.00 0.00 O ATOM 144 CB ARG A 9 4.379 -4.963 0.066 1.00 0.00 C ATOM 145 CG ARG A 9 3.711 -6.210 -0.534 1.00 0.00 C ATOM 146 CD ARG A 9 4.039 -7.530 0.184 1.00 0.00 C ATOM 147 NE ARG A 9 2.813 -8.252 0.572 1.00 0.00 N ATOM 148 CZ ARG A 9 2.377 -9.442 0.179 1.00 0.00 C ATOM 149 NH1 ARG A 9 3.020 -10.164 -0.711 1.00 0.00 N ATOM 150 NH2 ARG A 9 1.275 -9.939 0.682 1.00 0.00 N ATOM 0 H ARG A 9 2.396 -3.264 1.348 1.00 0.00 H new ATOM 0 HA ARG A 9 4.132 -5.498 2.134 1.00 0.00 H new ATOM 0 HB2 ARG A 9 4.153 -4.109 -0.572 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.460 -5.103 0.040 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.631 -6.066 -0.523 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.010 -6.297 -1.578 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.643 -8.160 -0.469 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.638 -7.324 1.071 1.00 0.00 H new ATOM 0 HE ARG A 9 2.213 -7.766 1.239 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.884 -9.814 -1.124 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.655 -11.075 -0.989 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.749 -9.411 1.378 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.943 -10.854 0.378 1.00 0.00 H new ATOM 164 N MET A 10 6.115 -3.676 2.229 1.00 0.00 N ATOM 165 CA MET A 10 7.061 -2.672 2.721 1.00 0.00 C ATOM 166 C MET A 10 8.226 -2.525 1.738 1.00 0.00 C ATOM 167 O MET A 10 8.816 -3.517 1.310 1.00 0.00 O ATOM 168 CB MET A 10 7.537 -3.073 4.125 1.00 0.00 C ATOM 169 CG MET A 10 8.391 -1.972 4.758 1.00 0.00 C ATOM 170 SD MET A 10 9.057 -2.365 6.398 1.00 0.00 S ATOM 171 CE MET A 10 10.335 -3.572 5.959 1.00 0.00 C ATOM 0 H MET A 10 6.552 -4.575 2.026 1.00 0.00 H new ATOM 0 HA MET A 10 6.575 -1.699 2.794 1.00 0.00 H new ATOM 0 HB2 MET A 10 6.674 -3.277 4.759 1.00 0.00 H new ATOM 0 HB3 MET A 10 8.115 -3.996 4.066 1.00 0.00 H new ATOM 0 HG2 MET A 10 9.222 -1.748 4.089 1.00 0.00 H new ATOM 0 HG3 MET A 10 7.790 -1.066 4.834 1.00 0.00 H new ATOM 0 HE1 MET A 10 10.910 -3.833 6.848 1.00 0.00 H new ATOM 0 HE2 MET A 10 9.865 -4.469 5.555 1.00 0.00 H new ATOM 0 HE3 MET A 10 11.000 -3.142 5.210 1.00 0.00 H new ATOM 181 N PHE A 11 8.538 -1.285 1.357 1.00 0.00 N ATOM 182 CA PHE A 11 9.523 -0.976 0.327 1.00 0.00 C ATOM 183 C PHE A 11 10.956 -1.196 0.837 1.00 0.00 C ATOM 184 O PHE A 11 11.553 -0.338 1.501 1.00 0.00 O ATOM 185 CB PHE A 11 9.278 0.436 -0.219 1.00 0.00 C ATOM 186 CG PHE A 11 9.864 0.661 -1.601 1.00 0.00 C ATOM 187 CD1 PHE A 11 11.255 0.784 -1.779 1.00 0.00 C ATOM 188 CD2 PHE A 11 9.012 0.714 -2.722 1.00 0.00 C ATOM 189 CE1 PHE A 11 11.791 0.964 -3.066 1.00 0.00 C ATOM 190 CE2 PHE A 11 9.548 0.898 -4.009 1.00 0.00 C ATOM 191 CZ PHE A 11 10.938 1.024 -4.181 1.00 0.00 C ATOM 0 H PHE A 11 8.105 -0.456 1.764 1.00 0.00 H new ATOM 0 HA PHE A 11 9.404 -1.668 -0.507 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.205 0.622 -0.253 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.706 1.163 0.471 1.00 0.00 H new ATOM 0 HD1 PHE A 11 11.913 0.740 -0.924 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.945 0.613 -2.592 1.00 0.00 H new ATOM 0 HE1 PHE A 11 12.859 1.056 -3.198 1.00 0.00 H new ATOM 0 HE2 PHE A 11 8.892 0.943 -4.866 1.00 0.00 H new ATOM 0 HZ PHE A 11 11.350 1.167 -5.169 1.00 0.00 H new ATOM 201 N ARG A 12 11.507 -2.373 0.513 1.00 0.00 N ATOM 202 CA ARG A 12 12.896 -2.769 0.770 1.00 0.00 C ATOM 203 C ARG A 12 13.852 -1.633 0.375 1.00 0.00 C ATOM 204 O ARG A 12 13.836 -1.160 -0.761 1.00 0.00 O ATOM 205 CB ARG A 12 13.150 -4.086 -0.002 1.00 0.00 C ATOM 206 CG ARG A 12 14.499 -4.802 0.215 1.00 0.00 C ATOM 207 CD ARG A 12 15.690 -4.048 -0.387 1.00 0.00 C ATOM 208 NE ARG A 12 16.896 -4.875 -0.532 1.00 0.00 N ATOM 209 CZ ARG A 12 18.094 -4.423 -0.893 1.00 0.00 C ATOM 210 NH1 ARG A 12 18.327 -3.153 -1.144 1.00 0.00 N ATOM 211 NH2 ARG A 12 19.100 -5.260 -1.008 1.00 0.00 N ATOM 0 H ARG A 12 10.974 -3.106 0.045 1.00 0.00 H new ATOM 0 HA ARG A 12 13.079 -2.949 1.829 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.355 -4.785 0.258 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.052 -3.874 -1.067 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.664 -4.934 1.284 1.00 0.00 H new ATOM 0 HG3 ARG A 12 14.449 -5.798 -0.225 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.406 -3.659 -1.365 1.00 0.00 H new ATOM 0 HD3 ARG A 12 15.922 -3.189 0.243 1.00 0.00 H new ATOM 0 HE ARG A 12 16.808 -5.873 -0.341 1.00 0.00 H new ATOM 0 HH11 ARG A 12 17.573 -2.471 -1.065 1.00 0.00 H new ATOM 0 HH12 ARG A 12 19.262 -2.850 -1.418 1.00 0.00 H new ATOM 0 HH21 ARG A 12 18.961 -6.253 -0.821 1.00 0.00 H new ATOM 0 HH22 ARG A 12 20.020 -4.917 -1.285 1.00 0.00 H new ATOM 225 N SER A 13 14.761 -1.283 1.295 1.00 0.00 N ATOM 226 CA SER A 13 15.784 -0.210 1.258 1.00 0.00 C ATOM 227 C SER A 13 15.319 1.145 1.815 1.00 0.00 C ATOM 228 O SER A 13 16.163 2.024 1.956 1.00 0.00 O ATOM 229 CB SER A 13 16.426 0.044 -0.129 1.00 0.00 C ATOM 230 OG SER A 13 16.415 -1.088 -0.976 1.00 0.00 O ATOM 0 H SER A 13 14.809 -1.792 2.177 1.00 0.00 H new ATOM 0 HA SER A 13 16.539 -0.631 1.922 1.00 0.00 H new ATOM 0 HB2 SER A 13 15.896 0.860 -0.621 1.00 0.00 H new ATOM 0 HB3 SER A 13 17.456 0.372 0.012 1.00 0.00 H new ATOM 0 HG SER A 13 15.525 -1.191 -1.373 1.00 0.00 H new ATOM 236 N ASN A 14 14.034 1.332 2.167 1.00 0.00 N ATOM 237 CA ASN A 14 13.608 2.537 2.905 1.00 0.00 C ATOM 238 C ASN A 14 12.503 2.309 3.955 1.00 0.00 C ATOM 239 O ASN A 14 12.437 3.067 4.918 1.00 0.00 O ATOM 240 CB ASN A 14 13.257 3.665 1.919 1.00 0.00 C ATOM 241 CG ASN A 14 12.057 3.364 1.038 1.00 0.00 C ATOM 242 OD1 ASN A 14 10.963 3.095 1.515 1.00 0.00 O ATOM 243 ND2 ASN A 14 12.218 3.427 -0.269 1.00 0.00 N ATOM 0 H ASN A 14 13.282 0.676 1.957 1.00 0.00 H new ATOM 0 HA ASN A 14 14.466 2.839 3.506 1.00 0.00 H new ATOM 0 HB2 ASN A 14 13.062 4.578 2.482 1.00 0.00 H new ATOM 0 HB3 ASN A 14 14.121 3.861 1.284 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.428 3.251 -0.889 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.133 3.652 -0.660 1.00 0.00 H new ATOM 250 N GLY A 15 11.666 1.272 3.814 1.00 0.00 N ATOM 251 CA GLY A 15 10.658 0.895 4.813 1.00 0.00 C ATOM 252 C GLY A 15 9.268 1.498 4.585 1.00 0.00 C ATOM 253 O GLY A 15 8.386 1.316 5.420 1.00 0.00 O ATOM 0 H GLY A 15 11.670 0.665 2.994 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.569 -0.191 4.826 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.013 1.198 5.798 1.00 0.00 H new ATOM 257 N THR A 16 9.047 2.197 3.467 1.00 0.00 N ATOM 258 CA THR A 16 7.740 2.761 3.100 1.00 0.00 C ATOM 259 C THR A 16 6.709 1.642 2.948 1.00 0.00 C ATOM 260 O THR A 16 6.838 0.814 2.047 1.00 0.00 O ATOM 261 CB THR A 16 7.819 3.559 1.785 1.00 0.00 C ATOM 262 OG1 THR A 16 8.852 4.513 1.848 1.00 0.00 O ATOM 263 CG2 THR A 16 6.517 4.306 1.487 1.00 0.00 C ATOM 0 H THR A 16 9.778 2.390 2.782 1.00 0.00 H new ATOM 0 HA THR A 16 7.438 3.439 3.898 1.00 0.00 H new ATOM 0 HB THR A 16 8.008 2.832 0.995 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.654 4.156 1.413 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.618 4.855 0.551 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.699 3.591 1.402 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.305 5.005 2.296 1.00 0.00 H new ATOM 271 N VAL A 17 5.675 1.608 3.796 1.00 0.00 N ATOM 272 CA VAL A 17 4.582 0.639 3.627 1.00 0.00 C ATOM 273 C VAL A 17 3.627 1.138 2.548 1.00 0.00 C ATOM 274 O VAL A 17 3.143 2.274 2.575 1.00 0.00 O ATOM 275 CB VAL A 17 3.836 0.342 4.936 1.00 0.00 C ATOM 276 CG1 VAL A 17 2.541 -0.463 4.743 1.00 0.00 C ATOM 277 CG2 VAL A 17 4.745 -0.483 5.856 1.00 0.00 C ATOM 0 H VAL A 17 5.570 2.231 4.597 1.00 0.00 H new ATOM 0 HA VAL A 17 5.023 -0.308 3.317 1.00 0.00 H new ATOM 0 HB VAL A 17 3.573 1.312 5.358 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.071 -0.633 5.711 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.858 0.094 4.101 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.774 -1.421 4.279 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.221 -0.698 6.788 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.008 -1.419 5.364 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.653 0.081 6.071 1.00 0.00 H new ATOM 287 N TYR A 18 3.358 0.242 1.605 1.00 0.00 N ATOM 288 CA TYR A 18 2.650 0.452 0.339 1.00 0.00 C ATOM 289 C TYR A 18 1.800 -0.787 0.015 1.00 0.00 C ATOM 290 O TYR A 18 1.723 -1.694 0.844 1.00 0.00 O ATOM 291 CB TYR A 18 3.668 0.793 -0.766 1.00 0.00 C ATOM 292 CG TYR A 18 4.419 -0.387 -1.367 1.00 0.00 C ATOM 293 CD1 TYR A 18 5.456 -1.017 -0.651 1.00 0.00 C ATOM 294 CD2 TYR A 18 4.070 -0.857 -2.649 1.00 0.00 C ATOM 295 CE1 TYR A 18 6.129 -2.122 -1.210 1.00 0.00 C ATOM 296 CE2 TYR A 18 4.727 -1.969 -3.203 1.00 0.00 C ATOM 297 CZ TYR A 18 5.762 -2.602 -2.485 1.00 0.00 C ATOM 298 OH TYR A 18 6.402 -3.679 -3.013 1.00 0.00 O ATOM 0 H TYR A 18 3.651 -0.729 1.711 1.00 0.00 H new ATOM 0 HA TYR A 18 1.965 1.296 0.413 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.143 1.311 -1.569 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.397 1.493 -0.358 1.00 0.00 H new ATOM 0 HD1 TYR A 18 5.735 -0.653 0.327 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.292 -0.359 -3.209 1.00 0.00 H new ATOM 0 HE1 TYR A 18 6.926 -2.602 -0.662 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.440 -2.338 -4.177 1.00 0.00 H new ATOM 0 HH TYR A 18 6.028 -3.881 -3.896 1.00 0.00 H new ATOM 308 N TYR A 19 1.146 -0.842 -1.152 1.00 0.00 N ATOM 309 CA TYR A 19 0.387 -2.021 -1.577 1.00 0.00 C ATOM 310 C TYR A 19 0.871 -2.583 -2.917 1.00 0.00 C ATOM 311 O TYR A 19 1.347 -1.879 -3.807 1.00 0.00 O ATOM 312 CB TYR A 19 -1.120 -1.717 -1.604 1.00 0.00 C ATOM 313 CG TYR A 19 -1.862 -2.008 -0.309 1.00 0.00 C ATOM 314 CD1 TYR A 19 -1.533 -1.339 0.884 1.00 0.00 C ATOM 315 CD2 TYR A 19 -2.912 -2.947 -0.300 1.00 0.00 C ATOM 316 CE1 TYR A 19 -2.265 -1.585 2.060 1.00 0.00 C ATOM 317 CE2 TYR A 19 -3.664 -3.185 0.864 1.00 0.00 C ATOM 318 CZ TYR A 19 -3.341 -2.496 2.052 1.00 0.00 C ATOM 319 OH TYR A 19 -4.059 -2.699 3.187 1.00 0.00 O ATOM 0 H TYR A 19 1.129 -0.074 -1.824 1.00 0.00 H new ATOM 0 HA TYR A 19 0.566 -2.801 -0.837 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.258 -0.665 -1.855 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.577 -2.298 -2.405 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.715 -0.634 0.897 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.143 -3.493 -1.202 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.001 -1.073 2.974 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.482 -3.890 0.849 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.766 -3.355 3.014 1.00 0.00 H new ATOM 329 N PHE A 20 0.686 -3.891 -3.057 1.00 0.00 N ATOM 330 CA PHE A 20 1.123 -4.729 -4.165 1.00 0.00 C ATOM 331 C PHE A 20 -0.049 -5.600 -4.606 1.00 0.00 C ATOM 332 O PHE A 20 -0.734 -6.181 -3.764 1.00 0.00 O ATOM 333 CB PHE A 20 2.279 -5.594 -3.660 1.00 0.00 C ATOM 334 CG PHE A 20 2.770 -6.686 -4.592 1.00 0.00 C ATOM 335 CD1 PHE A 20 3.734 -6.379 -5.567 1.00 0.00 C ATOM 336 CD2 PHE A 20 2.323 -8.018 -4.447 1.00 0.00 C ATOM 337 CE1 PHE A 20 4.249 -7.387 -6.397 1.00 0.00 C ATOM 338 CE2 PHE A 20 2.860 -9.030 -5.263 1.00 0.00 C ATOM 339 CZ PHE A 20 3.816 -8.715 -6.244 1.00 0.00 C ATOM 0 H PHE A 20 0.191 -4.431 -2.347 1.00 0.00 H new ATOM 0 HA PHE A 20 1.455 -4.134 -5.016 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.119 -4.939 -3.431 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.972 -6.059 -2.723 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.081 -5.362 -5.678 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.570 -8.259 -3.711 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.979 -7.142 -7.154 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.537 -10.053 -5.135 1.00 0.00 H new ATOM 0 HZ PHE A 20 4.217 -9.492 -6.879 1.00 0.00 H new ATOM 349 N ASN A 21 -0.291 -5.699 -5.912 1.00 0.00 N ATOM 350 CA ASN A 21 -1.345 -6.563 -6.421 1.00 0.00 C ATOM 351 C ASN A 21 -0.804 -7.981 -6.615 1.00 0.00 C ATOM 352 O ASN A 21 -0.145 -8.274 -7.612 1.00 0.00 O ATOM 353 CB ASN A 21 -1.941 -5.982 -7.697 1.00 0.00 C ATOM 354 CG ASN A 21 -3.154 -6.791 -8.102 1.00 0.00 C ATOM 355 OD1 ASN A 21 -3.016 -7.814 -8.754 1.00 0.00 O ATOM 356 ND2 ASN A 21 -4.349 -6.391 -7.720 1.00 0.00 N ATOM 0 H ASN A 21 0.227 -5.193 -6.630 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.156 -6.620 -5.695 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.222 -4.941 -7.539 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.199 -5.994 -8.496 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.173 -6.938 -7.968 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.450 -5.534 -7.176 1.00 0.00 H new ATOM 363 N HIS A 22 -1.103 -8.874 -5.673 1.00 0.00 N ATOM 364 CA HIS A 22 -0.578 -10.238 -5.659 1.00 0.00 C ATOM 365 C HIS A 22 -1.152 -11.153 -6.763 1.00 0.00 C ATOM 366 O HIS A 22 -0.824 -12.340 -6.800 1.00 0.00 O ATOM 367 CB HIS A 22 -0.730 -10.811 -4.237 1.00 0.00 C ATOM 368 CG HIS A 22 -2.060 -11.470 -3.945 1.00 0.00 C ATOM 369 ND1 HIS A 22 -2.527 -12.623 -4.534 1.00 0.00 N ATOM 370 CD2 HIS A 22 -3.004 -11.058 -3.043 1.00 0.00 C ATOM 371 CE1 HIS A 22 -3.734 -12.895 -4.008 1.00 0.00 C ATOM 372 NE2 HIS A 22 -4.065 -11.968 -3.097 1.00 0.00 N ATOM 0 H HIS A 22 -1.723 -8.668 -4.890 1.00 0.00 H new ATOM 0 HA HIS A 22 0.481 -10.198 -5.913 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.063 -11.540 -4.070 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -0.577 -10.005 -3.520 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -2.043 -13.173 -5.244 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.941 -10.188 -2.406 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -4.349 -13.740 -4.280 1.00 0.00 H new ATOM 380 N ILE A 23 -2.025 -10.625 -7.634 1.00 0.00 N ATOM 381 CA ILE A 23 -2.652 -11.346 -8.748 1.00 0.00 C ATOM 382 C ILE A 23 -2.017 -10.932 -10.096 1.00 0.00 C ATOM 383 O ILE A 23 -1.973 -11.733 -11.025 1.00 0.00 O ATOM 384 CB ILE A 23 -4.190 -11.128 -8.686 1.00 0.00 C ATOM 385 CG1 ILE A 23 -4.753 -11.571 -7.307 1.00 0.00 C ATOM 386 CG2 ILE A 23 -4.911 -11.883 -9.814 1.00 0.00 C ATOM 387 CD1 ILE A 23 -6.275 -11.443 -7.142 1.00 0.00 C ATOM 0 H ILE A 23 -2.323 -9.651 -7.579 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.471 -12.417 -8.661 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.374 -10.062 -8.818 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.473 -12.611 -7.137 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.270 -10.979 -6.530 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.984 -11.708 -9.740 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.551 -11.526 -10.779 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.710 -12.950 -9.724 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.562 -11.778 -6.145 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.569 -10.402 -7.274 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.775 -12.058 -7.890 1.00 0.00 H new ATOM 399 N THR A 24 -1.497 -9.699 -10.195 1.00 0.00 N ATOM 400 CA THR A 24 -0.919 -9.099 -11.416 1.00 0.00 C ATOM 401 C THR A 24 0.550 -8.680 -11.304 1.00 0.00 C ATOM 402 O THR A 24 1.173 -8.408 -12.328 1.00 0.00 O ATOM 403 CB THR A 24 -1.691 -7.838 -11.821 1.00 0.00 C ATOM 404 OG1 THR A 24 -1.612 -6.901 -10.776 1.00 0.00 O ATOM 405 CG2 THR A 24 -3.172 -8.075 -12.115 1.00 0.00 C ATOM 0 H THR A 24 -1.464 -9.064 -9.397 1.00 0.00 H new ATOM 0 HA THR A 24 -0.994 -9.899 -12.152 1.00 0.00 H new ATOM 0 HB THR A 24 -1.228 -7.486 -12.743 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.764 -7.352 -9.920 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.643 -7.132 -12.394 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.271 -8.786 -12.935 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.660 -8.476 -11.226 1.00 0.00 H new ATOM 413 N ASN A 25 1.084 -8.577 -10.081 1.00 0.00 N ATOM 414 CA ASN A 25 2.389 -8.001 -9.733 1.00 0.00 C ATOM 415 C ASN A 25 2.436 -6.454 -9.856 1.00 0.00 C ATOM 416 O ASN A 25 3.523 -5.872 -9.824 1.00 0.00 O ATOM 417 CB ASN A 25 3.510 -8.761 -10.482 1.00 0.00 C ATOM 418 CG ASN A 25 4.853 -8.787 -9.762 1.00 0.00 C ATOM 419 OD1 ASN A 25 5.301 -9.814 -9.282 1.00 0.00 O ATOM 420 ND2 ASN A 25 5.534 -7.666 -9.670 1.00 0.00 N ATOM 0 H ASN A 25 0.586 -8.914 -9.257 1.00 0.00 H new ATOM 0 HA ASN A 25 2.568 -8.151 -8.668 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.184 -9.787 -10.651 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.647 -8.304 -11.462 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.438 -7.656 -9.197 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.159 -6.807 -10.072 1.00 0.00 H new ATOM 427 N ALA A 26 1.290 -5.763 -9.990 1.00 0.00 N ATOM 428 CA ALA A 26 1.256 -4.295 -9.913 1.00 0.00 C ATOM 429 C ALA A 26 1.629 -3.756 -8.508 1.00 0.00 C ATOM 430 O ALA A 26 1.737 -4.505 -7.534 1.00 0.00 O ATOM 431 CB ALA A 26 -0.122 -3.800 -10.374 1.00 0.00 C ATOM 0 H ALA A 26 0.381 -6.196 -10.151 1.00 0.00 H new ATOM 0 HA ALA A 26 2.021 -3.899 -10.581 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.155 -2.712 -10.320 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.297 -4.117 -11.402 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.894 -4.219 -9.728 1.00 0.00 H new ATOM 437 N SER A 27 1.845 -2.440 -8.375 1.00 0.00 N ATOM 438 CA SER A 27 2.192 -1.771 -7.107 1.00 0.00 C ATOM 439 C SER A 27 1.565 -0.373 -7.027 1.00 0.00 C ATOM 440 O SER A 27 1.346 0.262 -8.056 1.00 0.00 O ATOM 441 CB SER A 27 3.712 -1.709 -6.961 1.00 0.00 C ATOM 442 OG SER A 27 4.171 -3.021 -6.699 1.00 0.00 O ATOM 0 H SER A 27 1.783 -1.794 -9.162 1.00 0.00 H new ATOM 0 HA SER A 27 1.784 -2.351 -6.279 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.168 -1.318 -7.871 1.00 0.00 H new ATOM 0 HB3 SER A 27 3.992 -1.037 -6.150 1.00 0.00 H new ATOM 0 HG SER A 27 3.426 -3.652 -6.787 1.00 0.00 H new ATOM 448 N GLN A 28 1.243 0.081 -5.808 1.00 0.00 N ATOM 449 CA GLN A 28 0.450 1.287 -5.542 1.00 0.00 C ATOM 450 C GLN A 28 0.748 1.844 -4.136 1.00 0.00 C ATOM 451 O GLN A 28 1.078 1.096 -3.215 1.00 0.00 O ATOM 452 CB GLN A 28 -1.031 0.885 -5.710 1.00 0.00 C ATOM 453 CG GLN A 28 -2.095 1.946 -5.422 1.00 0.00 C ATOM 454 CD GLN A 28 -1.852 3.268 -6.138 1.00 0.00 C ATOM 455 OE1 GLN A 28 -1.403 4.234 -5.537 1.00 0.00 O ATOM 456 NE2 GLN A 28 -2.108 3.352 -7.427 1.00 0.00 N ATOM 0 H GLN A 28 1.536 -0.396 -4.955 1.00 0.00 H new ATOM 0 HA GLN A 28 0.701 2.090 -6.235 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.170 0.540 -6.735 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.223 0.033 -5.058 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.071 1.558 -5.715 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.134 2.127 -4.348 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.482 2.545 -7.926 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.932 4.224 -7.926 1.00 0.00 H new ATOM 465 N PHE A 29 0.622 3.166 -3.965 1.00 0.00 N ATOM 466 CA PHE A 29 0.757 3.845 -2.673 1.00 0.00 C ATOM 467 C PHE A 29 -0.574 3.965 -1.915 1.00 0.00 C ATOM 468 O PHE A 29 -0.558 4.012 -0.686 1.00 0.00 O ATOM 469 CB PHE A 29 1.443 5.199 -2.873 1.00 0.00 C ATOM 470 CG PHE A 29 2.773 5.117 -3.609 1.00 0.00 C ATOM 471 CD1 PHE A 29 3.789 4.246 -3.160 1.00 0.00 C ATOM 472 CD2 PHE A 29 2.987 5.893 -4.765 1.00 0.00 C ATOM 473 CE1 PHE A 29 5.005 4.155 -3.860 1.00 0.00 C ATOM 474 CE2 PHE A 29 4.203 5.802 -5.464 1.00 0.00 C ATOM 475 CZ PHE A 29 5.213 4.935 -5.011 1.00 0.00 C ATOM 0 H PHE A 29 0.420 3.804 -4.735 1.00 0.00 H new ATOM 0 HA PHE A 29 1.387 3.228 -2.032 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.773 5.856 -3.427 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.607 5.659 -1.899 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.632 3.647 -2.275 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.214 6.560 -5.116 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.779 3.486 -3.514 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.362 6.399 -6.350 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.148 4.868 -5.547 1.00 0.00 H new ATOM 485 N GLU A 30 -1.716 4.011 -2.609 1.00 0.00 N ATOM 486 CA GLU A 30 -3.050 3.896 -1.998 1.00 0.00 C ATOM 487 C GLU A 30 -3.242 2.470 -1.433 1.00 0.00 C ATOM 488 O GLU A 30 -2.777 1.492 -2.016 1.00 0.00 O ATOM 489 CB GLU A 30 -4.117 4.265 -3.049 1.00 0.00 C ATOM 490 CG GLU A 30 -5.562 3.802 -2.789 1.00 0.00 C ATOM 491 CD GLU A 30 -6.242 4.391 -1.548 1.00 0.00 C ATOM 492 OE1 GLU A 30 -5.610 4.447 -0.468 1.00 0.00 O ATOM 493 OE2 GLU A 30 -7.462 4.656 -1.625 1.00 0.00 O ATOM 0 H GLU A 30 -1.743 4.130 -3.622 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.153 4.588 -1.162 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.125 5.350 -3.153 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.800 3.855 -4.008 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.165 4.051 -3.662 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.564 2.716 -2.699 1.00 0.00 H new ATOM 500 N ARG A 31 -3.912 2.356 -0.280 1.00 0.00 N ATOM 501 CA ARG A 31 -4.360 1.105 0.346 1.00 0.00 C ATOM 502 C ARG A 31 -5.780 0.730 -0.124 1.00 0.00 C ATOM 503 O ARG A 31 -6.727 1.354 0.372 1.00 0.00 O ATOM 504 CB ARG A 31 -4.289 1.242 1.882 1.00 0.00 C ATOM 505 CG ARG A 31 -2.865 1.512 2.408 1.00 0.00 C ATOM 506 CD ARG A 31 -2.498 2.985 2.617 1.00 0.00 C ATOM 507 NE ARG A 31 -1.246 3.341 1.922 1.00 0.00 N ATOM 508 CZ ARG A 31 0.012 3.142 2.291 1.00 0.00 C ATOM 509 NH1 ARG A 31 0.378 2.591 3.421 1.00 0.00 N ATOM 510 NH2 ARG A 31 0.970 3.487 1.479 1.00 0.00 N ATOM 0 H ARG A 31 -4.170 3.175 0.270 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.698 0.295 0.039 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.945 2.054 2.198 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.670 0.329 2.339 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.743 0.989 3.357 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.151 1.075 1.709 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.308 3.617 2.253 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.392 3.186 3.683 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.366 3.810 1.024 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.327 2.281 4.089 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.369 2.472 3.633 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.747 3.903 0.575 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.943 3.341 1.747 1.00 0.00 H new ATOM 524 N PRO A 32 -6.001 -0.209 -1.073 1.00 0.00 N ATOM 525 CA PRO A 32 -7.356 -0.543 -1.503 1.00 0.00 C ATOM 526 C PRO A 32 -8.154 -1.388 -0.505 1.00 0.00 C ATOM 527 O PRO A 32 -7.601 -2.093 0.337 1.00 0.00 O ATOM 528 CB PRO A 32 -7.221 -1.296 -2.824 1.00 0.00 C ATOM 529 CG PRO A 32 -5.770 -1.139 -3.234 1.00 0.00 C ATOM 530 CD PRO A 32 -5.062 -0.969 -1.889 1.00 0.00 C ATOM 0 HA PRO A 32 -7.920 0.385 -1.595 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.484 -2.347 -2.705 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -7.889 -0.884 -3.580 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.405 -2.011 -3.777 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.623 -0.275 -3.882 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.834 -1.934 -1.436 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.116 -0.439 -2.003 1.00 0.00 H new ATOM 538 N SER A 33 -9.479 -1.345 -0.676 1.00 0.00 N ATOM 539 CA SER A 33 -10.467 -2.184 0.010 1.00 0.00 C ATOM 540 C SER A 33 -11.802 -2.159 -0.765 1.00 0.00 C ATOM 541 O SER A 33 -12.865 -2.046 -0.149 1.00 0.00 O ATOM 542 CB SER A 33 -10.647 -1.695 1.460 1.00 0.00 C ATOM 543 OG SER A 33 -11.375 -0.483 1.490 1.00 0.00 O ATOM 0 H SER A 33 -9.913 -0.692 -1.329 1.00 0.00 H new ATOM 0 HA SER A 33 -10.116 -3.216 0.043 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.169 -2.454 2.043 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.672 -1.551 1.925 1.00 0.00 H new ATOM 0 HG SER A 33 -12.240 -0.610 1.048 1.00 0.00 H new ATOM 549 N GLY A 34 -11.738 -2.173 -2.108 1.00 0.00 N ATOM 550 CA GLY A 34 -12.882 -1.932 -2.994 1.00 0.00 C ATOM 551 C GLY A 34 -12.846 -0.500 -3.504 1.00 0.00 C ATOM 552 O GLY A 34 -13.098 0.433 -2.714 1.00 0.00 O ATOM 553 OXT GLY A 34 -12.461 -0.284 -4.671 1.00 0.00 O ATOM 0 H GLY A 34 -10.871 -2.356 -2.614 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.857 -2.627 -3.833 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.813 -2.113 -2.458 1.00 0.00 H new TER 557 GLY A 34