USER MOD reduce.3.24.130724 H: found=0, std=0, add=262, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 262 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 10 LYS NZ :NH3+ 171:sc= -0.0588 (180deg=-0.377) USER MOD Set 1.2: A 13 ASN : amide:sc= -0.125 K(o=-0.18,f=-2.2!) USER MOD Single : A 1 GLU N :NH3+ -147:sc= -1.3 (180deg=-3.04!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl -128:sc= -5.8! (180deg=-12.8!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 12 SER OG : rot 75:sc= 0.331 USER MOD Single : A 17 LYS NZ :NH3+ 155:sc= -0.0064 (180deg=-0.0723) USER MOD Single : A 22 SER OG : rot 142:sc= -0.645 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -115:sc= 0.983 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -8.964 4.128 -3.029 1.00 0.00 N ATOM 2 CA GLU A 1 -8.666 5.365 -2.249 1.00 0.00 C ATOM 3 C GLU A 1 -7.476 5.130 -1.320 1.00 0.00 C ATOM 4 O GLU A 1 -6.829 4.103 -1.373 1.00 0.00 O ATOM 5 CB GLU A 1 -9.927 5.637 -1.425 1.00 0.00 C ATOM 6 CG GLU A 1 -11.169 5.431 -2.294 1.00 0.00 C ATOM 7 CD GLU A 1 -11.996 6.719 -2.321 1.00 0.00 C ATOM 8 OE1 GLU A 1 -12.414 7.152 -1.259 1.00 0.00 O ATOM 9 OE2 GLU A 1 -12.197 7.248 -3.401 1.00 0.00 O ATOM 0 H1 GLU A 1 -9.323 4.389 -3.970 1.00 0.00 H new ATOM 0 H2 GLU A 1 -8.095 3.566 -3.133 1.00 0.00 H new ATOM 0 H3 GLU A 1 -9.682 3.566 -2.528 1.00 0.00 H new ATOM 0 HA GLU A 1 -8.411 6.203 -2.898 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -9.960 4.970 -0.563 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -9.907 6.656 -1.039 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -10.875 5.154 -3.306 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -11.768 4.610 -1.901 1.00 0.00 H new ATOM 18 N CYS A 2 -7.190 6.068 -0.463 1.00 0.00 N ATOM 19 CA CYS A 2 -6.049 5.889 0.474 1.00 0.00 C ATOM 20 C CYS A 2 -6.428 4.877 1.561 1.00 0.00 C ATOM 21 O CYS A 2 -7.170 5.180 2.474 1.00 0.00 O ATOM 22 CB CYS A 2 -5.809 7.271 1.081 1.00 0.00 C ATOM 23 SG CYS A 2 -4.085 7.404 1.608 1.00 0.00 S ATOM 0 H CYS A 2 -7.696 6.949 -0.371 1.00 0.00 H new ATOM 0 HA CYS A 2 -5.156 5.509 -0.022 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -6.038 8.046 0.350 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -6.474 7.428 1.931 1.00 0.00 H new ATOM 28 N GLY A 3 -5.926 3.677 1.465 1.00 0.00 N ATOM 29 CA GLY A 3 -6.260 2.646 2.488 1.00 0.00 C ATOM 30 C GLY A 3 -5.103 2.513 3.480 1.00 0.00 C ATOM 31 O GLY A 3 -4.024 3.027 3.263 1.00 0.00 O ATOM 0 H GLY A 3 -5.299 3.366 0.723 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -7.173 2.924 3.014 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -6.450 1.688 2.005 1.00 0.00 H new ATOM 35 N LYS A 4 -5.321 1.829 4.568 1.00 0.00 N ATOM 36 CA LYS A 4 -4.237 1.661 5.579 1.00 0.00 C ATOM 37 C LYS A 4 -3.434 0.388 5.296 1.00 0.00 C ATOM 38 O LYS A 4 -3.945 -0.564 4.743 1.00 0.00 O ATOM 39 CB LYS A 4 -4.967 1.541 6.917 1.00 0.00 C ATOM 40 CG LYS A 4 -5.023 2.910 7.597 1.00 0.00 C ATOM 41 CD LYS A 4 -3.607 3.350 7.973 1.00 0.00 C ATOM 42 CE LYS A 4 -3.215 4.565 7.131 1.00 0.00 C ATOM 43 NZ LYS A 4 -1.749 4.726 7.347 1.00 0.00 N ATOM 0 H LYS A 4 -6.205 1.377 4.802 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.530 2.490 5.566 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.976 1.161 6.759 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.454 0.826 7.560 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.477 3.642 6.929 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -5.649 2.860 8.488 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.560 3.598 9.033 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.904 2.534 7.805 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.444 4.406 6.077 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.760 5.455 7.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.405 5.541 6.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.562 4.883 8.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.255 3.866 7.033 1.00 0.00 H new ATOM 57 N PHE A 5 -2.180 0.365 5.675 1.00 0.00 N ATOM 58 CA PHE A 5 -1.346 -0.846 5.435 1.00 0.00 C ATOM 59 C PHE A 5 -2.169 -2.103 5.704 1.00 0.00 C ATOM 60 O PHE A 5 -3.063 -2.103 6.523 1.00 0.00 O ATOM 61 CB PHE A 5 -0.189 -0.744 6.430 1.00 0.00 C ATOM 62 CG PHE A 5 0.775 -1.896 6.225 1.00 0.00 C ATOM 63 CD1 PHE A 5 1.552 -1.968 5.061 1.00 0.00 C ATOM 64 CD2 PHE A 5 0.904 -2.882 7.211 1.00 0.00 C ATOM 65 CE1 PHE A 5 2.457 -3.024 4.889 1.00 0.00 C ATOM 66 CE2 PHE A 5 1.805 -3.938 7.033 1.00 0.00 C ATOM 67 CZ PHE A 5 2.582 -4.007 5.873 1.00 0.00 C ATOM 0 H PHE A 5 -1.700 1.135 6.141 1.00 0.00 H new ATOM 0 HA PHE A 5 -0.989 -0.904 4.407 1.00 0.00 H new ATOM 0 HB2 PHE A 5 0.332 0.204 6.299 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -0.573 -0.758 7.450 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.453 -1.211 4.297 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.308 -2.827 8.110 1.00 0.00 H new ATOM 0 HE1 PHE A 5 3.059 -3.078 3.994 1.00 0.00 H new ATOM 0 HE2 PHE A 5 1.900 -4.700 7.792 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.279 -4.821 5.738 1.00 0.00 H new ATOM 77 N MET A 6 -1.874 -3.165 5.006 1.00 0.00 N ATOM 78 CA MET A 6 -2.626 -4.443 5.187 1.00 0.00 C ATOM 79 C MET A 6 -3.983 -4.373 4.487 1.00 0.00 C ATOM 80 O MET A 6 -4.676 -5.364 4.368 1.00 0.00 O ATOM 81 CB MET A 6 -2.811 -4.638 6.695 1.00 0.00 C ATOM 82 CG MET A 6 -1.515 -4.283 7.423 1.00 0.00 C ATOM 83 SD MET A 6 -1.417 -5.211 8.972 1.00 0.00 S ATOM 84 CE MET A 6 -0.017 -6.262 8.513 1.00 0.00 C ATOM 0 H MET A 6 -1.132 -3.203 4.307 1.00 0.00 H new ATOM 0 HA MET A 6 -2.080 -5.279 4.749 1.00 0.00 H new ATOM 0 HB2 MET A 6 -3.626 -4.010 7.055 1.00 0.00 H new ATOM 0 HB3 MET A 6 -3.087 -5.671 6.907 1.00 0.00 H new ATOM 0 HG2 MET A 6 -0.656 -4.515 6.793 1.00 0.00 H new ATOM 0 HG3 MET A 6 -1.481 -3.213 7.626 1.00 0.00 H new ATOM 0 HE1 MET A 6 -0.274 -7.307 8.688 1.00 0.00 H new ATOM 0 HE2 MET A 6 0.216 -6.118 7.458 1.00 0.00 H new ATOM 0 HE3 MET A 6 0.851 -5.996 9.116 1.00 0.00 H new ATOM 94 N TRP A 7 -4.372 -3.222 4.015 1.00 0.00 N ATOM 95 CA TRP A 7 -5.685 -3.121 3.322 1.00 0.00 C ATOM 96 C TRP A 7 -5.674 -3.986 2.061 1.00 0.00 C ATOM 97 O TRP A 7 -4.804 -3.860 1.219 1.00 0.00 O ATOM 98 CB TRP A 7 -5.843 -1.650 2.943 1.00 0.00 C ATOM 99 CG TRP A 7 -6.676 -0.950 3.963 1.00 0.00 C ATOM 100 CD1 TRP A 7 -6.542 -1.066 5.305 1.00 0.00 C ATOM 101 CD2 TRP A 7 -7.766 -0.022 3.739 1.00 0.00 C ATOM 102 NE1 TRP A 7 -7.496 -0.266 5.913 1.00 0.00 N ATOM 103 CE2 TRP A 7 -8.270 0.395 4.989 1.00 0.00 C ATOM 104 CE3 TRP A 7 -8.358 0.489 2.578 1.00 0.00 C ATOM 105 CZ2 TRP A 7 -9.327 1.289 5.088 1.00 0.00 C ATOM 106 CZ3 TRP A 7 -9.428 1.395 2.666 1.00 0.00 C ATOM 107 CH2 TRP A 7 -9.913 1.796 3.922 1.00 0.00 C ATOM 0 H TRP A 7 -3.842 -2.353 4.078 1.00 0.00 H new ATOM 0 HA TRP A 7 -6.504 -3.464 3.954 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -4.864 -1.176 2.873 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -6.308 -1.566 1.961 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -5.814 -1.679 5.816 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -7.610 -0.178 6.923 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -7.990 0.185 1.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -9.695 1.591 6.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -9.879 1.784 1.765 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -10.735 2.493 3.988 1.00 0.00 H new ATOM 118 N LYS A 8 -6.639 -4.852 1.920 1.00 0.00 N ATOM 119 CA LYS A 8 -6.693 -5.713 0.706 1.00 0.00 C ATOM 120 C LYS A 8 -6.638 -4.824 -0.535 1.00 0.00 C ATOM 121 O LYS A 8 -7.112 -3.705 -0.526 1.00 0.00 O ATOM 122 CB LYS A 8 -8.033 -6.448 0.795 1.00 0.00 C ATOM 123 CG LYS A 8 -7.792 -7.896 1.229 1.00 0.00 C ATOM 124 CD LYS A 8 -7.391 -8.735 0.013 1.00 0.00 C ATOM 125 CE LYS A 8 -6.259 -9.686 0.402 1.00 0.00 C ATOM 126 NZ LYS A 8 -6.816 -11.052 0.195 1.00 0.00 N ATOM 0 H LYS A 8 -7.392 -5.000 2.592 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.863 -6.416 0.643 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.688 -5.947 1.508 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.537 -6.426 -0.171 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.008 -7.934 1.985 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.694 -8.305 1.685 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -8.248 -9.302 -0.350 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -7.071 -8.085 -0.801 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.376 -9.522 -0.215 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.956 -9.536 1.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.096 -11.761 0.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.652 -11.182 0.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.089 -11.168 -0.802 1.00 0.00 H new ATOM 140 N CYS A 9 -6.043 -5.289 -1.593 1.00 0.00 N ATOM 141 CA CYS A 9 -5.944 -4.441 -2.808 1.00 0.00 C ATOM 142 C CYS A 9 -6.169 -5.261 -4.076 1.00 0.00 C ATOM 143 O CYS A 9 -6.366 -6.459 -4.036 1.00 0.00 O ATOM 144 CB CYS A 9 -4.516 -3.912 -2.776 1.00 0.00 C ATOM 145 SG CYS A 9 -3.374 -5.298 -2.538 1.00 0.00 S ATOM 0 H CYS A 9 -5.623 -6.215 -1.670 1.00 0.00 H new ATOM 0 HA CYS A 9 -6.695 -3.651 -2.817 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.287 -3.392 -3.706 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.401 -3.188 -1.969 1.00 0.00 H new ATOM 150 N LYS A 10 -6.128 -4.611 -5.203 1.00 0.00 N ATOM 151 CA LYS A 10 -6.323 -5.322 -6.496 1.00 0.00 C ATOM 152 C LYS A 10 -5.086 -5.134 -7.370 1.00 0.00 C ATOM 153 O LYS A 10 -4.739 -5.978 -8.173 1.00 0.00 O ATOM 154 CB LYS A 10 -7.525 -4.640 -7.141 1.00 0.00 C ATOM 155 CG LYS A 10 -7.158 -3.198 -7.505 1.00 0.00 C ATOM 156 CD LYS A 10 -8.426 -2.347 -7.565 1.00 0.00 C ATOM 157 CE LYS A 10 -8.406 -1.487 -8.828 1.00 0.00 C ATOM 158 NZ LYS A 10 -9.141 -0.247 -8.456 1.00 0.00 N ATOM 0 H LYS A 10 -5.966 -3.607 -5.285 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.480 -6.393 -6.366 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.831 -5.185 -8.034 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.373 -4.649 -6.456 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.468 -2.790 -6.766 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.646 -3.174 -8.467 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.307 -2.989 -7.563 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.492 -1.712 -6.681 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.385 -1.264 -9.138 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.888 -1.997 -9.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.041 0.457 -9.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.148 -0.468 -8.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.748 0.138 -7.573 1.00 0.00 H new ATOM 172 N ASN A 11 -4.421 -4.024 -7.215 1.00 0.00 N ATOM 173 CA ASN A 11 -3.202 -3.758 -8.028 1.00 0.00 C ATOM 174 C ASN A 11 -2.427 -2.572 -7.450 1.00 0.00 C ATOM 175 O ASN A 11 -1.212 -2.568 -7.425 1.00 0.00 O ATOM 176 CB ASN A 11 -3.723 -3.424 -9.428 1.00 0.00 C ATOM 177 CG ASN A 11 -2.975 -4.265 -10.463 1.00 0.00 C ATOM 178 OD1 ASN A 11 -3.344 -5.390 -10.733 1.00 0.00 O ATOM 179 ND2 ASN A 11 -1.930 -3.762 -11.062 1.00 0.00 N ATOM 0 H ASN A 11 -4.671 -3.286 -6.557 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.521 -4.609 -8.037 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -4.793 -3.623 -9.487 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -3.584 -2.363 -9.636 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.425 -4.314 -11.756 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -1.619 -2.817 -10.837 1.00 0.00 H new ATOM 186 N SER A 12 -3.122 -1.565 -6.986 1.00 0.00 N ATOM 187 CA SER A 12 -2.434 -0.369 -6.408 1.00 0.00 C ATOM 188 C SER A 12 -3.402 0.815 -6.272 1.00 0.00 C ATOM 189 O SER A 12 -3.135 1.763 -5.560 1.00 0.00 O ATOM 190 CB SER A 12 -1.331 -0.016 -7.403 1.00 0.00 C ATOM 191 OG SER A 12 -0.062 -0.202 -6.789 1.00 0.00 O ATOM 0 H SER A 12 -4.141 -1.519 -6.982 1.00 0.00 H new ATOM 0 HA SER A 12 -2.048 -0.582 -5.411 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.413 -0.643 -8.291 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.440 1.018 -7.732 1.00 0.00 H new ATOM 0 HG SER A 12 0.132 -1.160 -6.722 1.00 0.00 H new ATOM 197 N ASN A 13 -4.513 0.784 -6.959 1.00 0.00 N ATOM 198 CA ASN A 13 -5.478 1.919 -6.877 1.00 0.00 C ATOM 199 C ASN A 13 -6.109 2.008 -5.482 1.00 0.00 C ATOM 200 O ASN A 13 -6.875 2.907 -5.199 1.00 0.00 O ATOM 201 CB ASN A 13 -6.546 1.602 -7.923 1.00 0.00 C ATOM 202 CG ASN A 13 -6.217 2.328 -9.229 1.00 0.00 C ATOM 203 OD1 ASN A 13 -5.142 2.877 -9.381 1.00 0.00 O ATOM 204 ND2 ASN A 13 -7.102 2.355 -10.189 1.00 0.00 N ATOM 0 H ASN A 13 -4.794 0.021 -7.574 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.990 2.877 -7.056 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.593 0.527 -8.095 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.527 1.910 -7.561 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.891 2.836 -11.064 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.004 1.895 -10.064 1.00 0.00 H new ATOM 211 N ASP A 14 -5.806 1.085 -4.612 1.00 0.00 N ATOM 212 CA ASP A 14 -6.408 1.135 -3.246 1.00 0.00 C ATOM 213 C ASP A 14 -5.336 1.408 -2.185 1.00 0.00 C ATOM 214 O ASP A 14 -5.639 1.614 -1.026 1.00 0.00 O ATOM 215 CB ASP A 14 -7.025 -0.248 -3.034 1.00 0.00 C ATOM 216 CG ASP A 14 -8.299 -0.118 -2.195 1.00 0.00 C ATOM 217 OD1 ASP A 14 -9.096 0.756 -2.496 1.00 0.00 O ATOM 218 OD2 ASP A 14 -8.456 -0.894 -1.267 1.00 0.00 O ATOM 0 H ASP A 14 -5.173 0.304 -4.783 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.144 1.935 -3.158 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.256 -0.706 -3.996 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.312 -0.903 -2.532 1.00 0.00 H new ATOM 223 N CYS A 15 -4.088 1.398 -2.562 1.00 0.00 N ATOM 224 CA CYS A 15 -3.008 1.642 -1.567 1.00 0.00 C ATOM 225 C CYS A 15 -2.787 3.138 -1.338 1.00 0.00 C ATOM 226 O CYS A 15 -2.707 3.921 -2.263 1.00 0.00 O ATOM 227 CB CYS A 15 -1.773 1.004 -2.192 1.00 0.00 C ATOM 228 SG CYS A 15 -2.111 -0.748 -2.481 1.00 0.00 S ATOM 0 H CYS A 15 -3.770 1.231 -3.517 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.249 1.225 -0.589 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.524 1.501 -3.130 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.913 1.119 -1.532 1.00 0.00 H new ATOM 233 N CYS A 16 -2.679 3.533 -0.098 1.00 0.00 N ATOM 234 CA CYS A 16 -2.452 4.972 0.224 1.00 0.00 C ATOM 235 C CYS A 16 -1.195 5.475 -0.484 1.00 0.00 C ATOM 236 O CYS A 16 -0.414 4.702 -1.002 1.00 0.00 O ATOM 237 CB CYS A 16 -2.246 5.008 1.738 1.00 0.00 C ATOM 238 SG CYS A 16 -3.731 5.650 2.544 1.00 0.00 S ATOM 0 H CYS A 16 -2.739 2.916 0.712 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.282 5.602 -0.097 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.025 4.007 2.108 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.389 5.635 1.983 1.00 0.00 H new ATOM 243 N LYS A 17 -0.984 6.762 -0.504 1.00 0.00 N ATOM 244 CA LYS A 17 0.227 7.298 -1.168 1.00 0.00 C ATOM 245 C LYS A 17 1.465 6.571 -0.639 1.00 0.00 C ATOM 246 O LYS A 17 1.512 6.165 0.505 1.00 0.00 O ATOM 247 CB LYS A 17 0.261 8.778 -0.793 1.00 0.00 C ATOM 248 CG LYS A 17 1.135 9.534 -1.793 1.00 0.00 C ATOM 249 CD LYS A 17 1.831 10.699 -1.088 1.00 0.00 C ATOM 250 CE LYS A 17 1.757 11.945 -1.973 1.00 0.00 C ATOM 251 NZ LYS A 17 0.372 12.464 -1.792 1.00 0.00 N ATOM 0 H LYS A 17 -1.599 7.461 -0.089 1.00 0.00 H new ATOM 0 HA LYS A 17 0.212 7.161 -2.249 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.749 9.188 -0.793 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.655 8.900 0.216 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.876 8.862 -2.224 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.525 9.906 -2.616 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.355 10.893 -0.127 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.871 10.446 -0.884 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.498 12.686 -1.674 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.954 11.700 -3.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.354 13.484 -1.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.271 11.971 -2.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.065 12.299 -0.812 1.00 0.00 H new ATOM 265 N ASP A 18 2.459 6.387 -1.462 1.00 0.00 N ATOM 266 CA ASP A 18 3.682 5.671 -1.002 1.00 0.00 C ATOM 267 C ASP A 18 3.330 4.220 -0.651 1.00 0.00 C ATOM 268 O ASP A 18 4.126 3.496 -0.087 1.00 0.00 O ATOM 269 CB ASP A 18 4.154 6.433 0.238 1.00 0.00 C ATOM 270 CG ASP A 18 4.097 7.938 -0.036 1.00 0.00 C ATOM 271 OD1 ASP A 18 3.016 8.496 0.057 1.00 0.00 O ATOM 272 OD2 ASP A 18 5.134 8.506 -0.335 1.00 0.00 O ATOM 0 H ASP A 18 2.478 6.701 -2.432 1.00 0.00 H new ATOM 0 HA ASP A 18 4.458 5.637 -1.766 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.525 6.184 1.092 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.171 6.137 0.494 1.00 0.00 H new ATOM 277 N LEU A 19 2.141 3.791 -0.990 1.00 0.00 N ATOM 278 CA LEU A 19 1.734 2.388 -0.688 1.00 0.00 C ATOM 279 C LEU A 19 1.294 1.691 -1.980 1.00 0.00 C ATOM 280 O LEU A 19 0.683 2.292 -2.842 1.00 0.00 O ATOM 281 CB LEU A 19 0.558 2.509 0.291 1.00 0.00 C ATOM 282 CG LEU A 19 0.509 1.271 1.196 1.00 0.00 C ATOM 283 CD1 LEU A 19 1.707 1.279 2.141 1.00 0.00 C ATOM 284 CD2 LEU A 19 -0.774 1.286 2.026 1.00 0.00 C ATOM 0 H LEU A 19 1.434 4.354 -1.464 1.00 0.00 H new ATOM 0 HA LEU A 19 2.547 1.800 -0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.667 3.409 0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.378 2.606 -0.260 1.00 0.00 H new ATOM 0 HG LEU A 19 0.534 0.377 0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.670 0.399 2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.629 1.266 1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.679 2.178 2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.803 0.405 2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.798 2.184 2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.638 1.280 1.361 1.00 0.00 H new ATOM 296 N VAL A 20 1.605 0.432 -2.127 1.00 0.00 N ATOM 297 CA VAL A 20 1.206 -0.289 -3.371 1.00 0.00 C ATOM 298 C VAL A 20 0.758 -1.717 -3.044 1.00 0.00 C ATOM 299 O VAL A 20 1.222 -2.325 -2.100 1.00 0.00 O ATOM 300 CB VAL A 20 2.467 -0.310 -4.236 1.00 0.00 C ATOM 301 CG1 VAL A 20 2.728 1.089 -4.795 1.00 0.00 C ATOM 302 CG2 VAL A 20 3.658 -0.748 -3.381 1.00 0.00 C ATOM 0 H VAL A 20 2.116 -0.127 -1.444 1.00 0.00 H new ATOM 0 HA VAL A 20 0.369 0.195 -3.875 1.00 0.00 H new ATOM 0 HB VAL A 20 2.332 -1.009 -5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.627 1.073 -5.411 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.878 1.403 -5.401 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.865 1.790 -3.972 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.559 -0.764 -3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.792 -0.047 -2.557 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.472 -1.745 -2.982 1.00 0.00 H new ATOM 312 N CYS A 21 -0.139 -2.256 -3.822 1.00 0.00 N ATOM 313 CA CYS A 21 -0.620 -3.643 -3.563 1.00 0.00 C ATOM 314 C CYS A 21 0.524 -4.640 -3.754 1.00 0.00 C ATOM 315 O CYS A 21 1.327 -4.505 -4.655 1.00 0.00 O ATOM 316 CB CYS A 21 -1.714 -3.874 -4.604 1.00 0.00 C ATOM 317 SG CYS A 21 -2.467 -5.494 -4.330 1.00 0.00 S ATOM 0 H CYS A 21 -0.561 -1.795 -4.628 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.988 -3.775 -2.546 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.470 -3.092 -4.533 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.293 -3.821 -5.608 1.00 0.00 H new ATOM 322 N SER A 22 0.617 -5.637 -2.914 1.00 0.00 N ATOM 323 CA SER A 22 1.724 -6.622 -3.070 1.00 0.00 C ATOM 324 C SER A 22 1.236 -8.041 -2.773 1.00 0.00 C ATOM 325 O SER A 22 0.694 -8.318 -1.720 1.00 0.00 O ATOM 326 CB SER A 22 2.781 -6.193 -2.056 1.00 0.00 C ATOM 327 OG SER A 22 4.073 -6.417 -2.605 1.00 0.00 O ATOM 0 H SER A 22 -0.019 -5.810 -2.135 1.00 0.00 H new ATOM 0 HA SER A 22 2.114 -6.637 -4.088 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.656 -5.139 -1.807 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.664 -6.756 -1.130 1.00 0.00 H new ATOM 0 HG SER A 22 4.671 -5.687 -2.342 1.00 0.00 H new ATOM 333 N SER A 23 1.433 -8.942 -3.701 1.00 0.00 N ATOM 334 CA SER A 23 0.998 -10.345 -3.496 1.00 0.00 C ATOM 335 C SER A 23 1.888 -11.020 -2.452 1.00 0.00 C ATOM 336 O SER A 23 1.501 -11.979 -1.815 1.00 0.00 O ATOM 337 CB SER A 23 1.165 -11.016 -4.859 1.00 0.00 C ATOM 338 OG SER A 23 -0.100 -11.473 -5.315 1.00 0.00 O ATOM 0 H SER A 23 1.881 -8.758 -4.599 1.00 0.00 H new ATOM 0 HA SER A 23 -0.028 -10.413 -3.134 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.590 -10.312 -5.574 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.861 -11.852 -4.783 1.00 0.00 H new ATOM 0 HG SER A 23 0.003 -11.902 -6.190 1.00 0.00 H new ATOM 344 N ARG A 24 3.080 -10.519 -2.269 1.00 0.00 N ATOM 345 CA ARG A 24 3.995 -11.123 -1.262 1.00 0.00 C ATOM 346 C ARG A 24 3.592 -10.644 0.132 1.00 0.00 C ATOM 347 O ARG A 24 3.698 -11.366 1.104 1.00 0.00 O ATOM 348 CB ARG A 24 5.386 -10.610 -1.635 1.00 0.00 C ATOM 349 CG ARG A 24 6.411 -11.731 -1.445 1.00 0.00 C ATOM 350 CD ARG A 24 7.769 -11.285 -1.995 1.00 0.00 C ATOM 351 NE ARG A 24 8.419 -10.551 -0.872 1.00 0.00 N ATOM 352 CZ ARG A 24 9.573 -10.951 -0.413 1.00 0.00 C ATOM 353 NH1 ARG A 24 10.484 -11.393 -1.236 1.00 0.00 N ATOM 354 NH2 ARG A 24 9.818 -10.907 0.868 1.00 0.00 N ATOM 0 H ARG A 24 3.458 -9.718 -2.774 1.00 0.00 H new ATOM 0 HA ARG A 24 3.962 -12.212 -1.254 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.394 -10.267 -2.670 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.648 -9.754 -1.014 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.500 -11.981 -0.388 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.078 -12.633 -1.959 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.369 -12.140 -2.307 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.650 -10.644 -2.869 1.00 0.00 H new ATOM 0 HE ARG A 24 7.962 -9.736 -0.463 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.294 -11.426 -2.238 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.386 -11.706 -0.878 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.107 -10.560 1.512 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.721 -11.220 1.226 1.00 0.00 H new ATOM 368 N TRP A 25 3.110 -9.436 0.227 1.00 0.00 N ATOM 369 CA TRP A 25 2.672 -8.908 1.548 1.00 0.00 C ATOM 370 C TRP A 25 1.158 -9.098 1.694 1.00 0.00 C ATOM 371 O TRP A 25 0.604 -8.931 2.758 1.00 0.00 O ATOM 372 CB TRP A 25 3.048 -7.427 1.537 1.00 0.00 C ATOM 373 CG TRP A 25 4.535 -7.300 1.412 1.00 0.00 C ATOM 374 CD1 TRP A 25 5.191 -6.881 0.304 1.00 0.00 C ATOM 375 CD2 TRP A 25 5.564 -7.591 2.405 1.00 0.00 C ATOM 376 NE1 TRP A 25 6.549 -6.896 0.556 1.00 0.00 N ATOM 377 CE2 TRP A 25 6.827 -7.324 1.831 1.00 0.00 C ATOM 378 CE3 TRP A 25 5.527 -8.055 3.733 1.00 0.00 C ATOM 379 CZ2 TRP A 25 8.007 -7.506 2.534 1.00 0.00 C ATOM 380 CZ3 TRP A 25 6.722 -8.242 4.452 1.00 0.00 C ATOM 381 CH2 TRP A 25 7.961 -7.967 3.852 1.00 0.00 C ATOM 0 H TRP A 25 3.001 -8.791 -0.555 1.00 0.00 H new ATOM 0 HA TRP A 25 3.141 -9.423 2.387 1.00 0.00 H new ATOM 0 HB2 TRP A 25 2.556 -6.920 0.707 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.705 -6.945 2.453 1.00 0.00 H new ATOM 0 HD1 TRP A 25 4.728 -6.584 -0.625 1.00 0.00 H new ATOM 0 HE1 TRP A 25 7.259 -6.622 -0.123 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.578 -8.268 4.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 8.957 -7.293 2.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 6.686 -8.599 5.471 1.00 0.00 H new ATOM 0 HH2 TRP A 25 8.876 -8.111 4.408 1.00 0.00 H new ATOM 392 N LYS A 26 0.497 -9.471 0.626 1.00 0.00 N ATOM 393 CA LYS A 26 -0.975 -9.713 0.682 1.00 0.00 C ATOM 394 C LYS A 26 -1.747 -8.420 0.985 1.00 0.00 C ATOM 395 O LYS A 26 -2.810 -8.457 1.569 1.00 0.00 O ATOM 396 CB LYS A 26 -1.147 -10.770 1.798 1.00 0.00 C ATOM 397 CG LYS A 26 -1.609 -10.131 3.122 1.00 0.00 C ATOM 398 CD LYS A 26 -0.794 -10.677 4.301 1.00 0.00 C ATOM 399 CE LYS A 26 -0.500 -12.169 4.106 1.00 0.00 C ATOM 400 NZ LYS A 26 -0.595 -12.756 5.472 1.00 0.00 N ATOM 0 H LYS A 26 0.920 -9.619 -0.290 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.377 -10.059 -0.270 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.874 -11.518 1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.202 -11.290 1.955 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.498 -9.048 3.067 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.668 -10.335 3.280 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.141 -10.125 4.391 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.343 -10.527 5.231 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.218 -12.628 3.427 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.490 -12.325 3.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.406 -13.778 5.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.105 -12.303 6.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.550 -12.598 5.852 1.00 0.00 H new ATOM 414 N TRP A 27 -1.235 -7.287 0.590 1.00 0.00 N ATOM 415 CA TRP A 27 -1.959 -6.011 0.863 1.00 0.00 C ATOM 416 C TRP A 27 -1.127 -4.816 0.406 1.00 0.00 C ATOM 417 O TRP A 27 -0.061 -4.965 -0.160 1.00 0.00 O ATOM 418 CB TRP A 27 -2.167 -5.957 2.387 1.00 0.00 C ATOM 419 CG TRP A 27 -0.857 -6.096 3.116 1.00 0.00 C ATOM 420 CD1 TRP A 27 0.271 -5.403 2.843 1.00 0.00 C ATOM 421 CD2 TRP A 27 -0.540 -6.934 4.271 1.00 0.00 C ATOM 422 NE1 TRP A 27 1.261 -5.789 3.726 1.00 0.00 N ATOM 423 CE2 TRP A 27 0.812 -6.723 4.622 1.00 0.00 C ATOM 424 CE3 TRP A 27 -1.281 -7.855 5.031 1.00 0.00 C ATOM 425 CZ2 TRP A 27 1.410 -7.392 5.682 1.00 0.00 C ATOM 426 CZ3 TRP A 27 -0.682 -8.533 6.107 1.00 0.00 C ATOM 427 CH2 TRP A 27 0.663 -8.303 6.431 1.00 0.00 C ATOM 0 H TRP A 27 -0.350 -7.188 0.092 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.906 -5.972 0.326 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -2.641 -5.014 2.660 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -2.844 -6.754 2.694 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.381 -4.666 2.061 1.00 0.00 H new ATOM 0 HE1 TRP A 27 2.213 -5.422 3.712 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -2.316 -8.043 4.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.446 -7.209 5.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -1.261 -9.235 6.688 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.119 -8.829 7.257 1.00 0.00 H new ATOM 438 N CYS A 28 -1.595 -3.627 0.667 1.00 0.00 N ATOM 439 CA CYS A 28 -0.818 -2.418 0.269 1.00 0.00 C ATOM 440 C CYS A 28 0.411 -2.285 1.173 1.00 0.00 C ATOM 441 O CYS A 28 0.305 -2.301 2.384 1.00 0.00 O ATOM 442 CB CYS A 28 -1.786 -1.255 0.472 1.00 0.00 C ATOM 443 SG CYS A 28 -3.067 -1.334 -0.802 1.00 0.00 S ATOM 0 H CYS A 28 -2.480 -3.440 1.138 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.453 -2.457 -0.757 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -2.236 -1.307 1.463 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.253 -0.306 0.413 1.00 0.00 H new ATOM 448 N VAL A 29 1.580 -2.182 0.601 1.00 0.00 N ATOM 449 CA VAL A 29 2.808 -2.081 1.442 1.00 0.00 C ATOM 450 C VAL A 29 3.477 -0.714 1.296 1.00 0.00 C ATOM 451 O VAL A 29 3.270 -0.006 0.332 1.00 0.00 O ATOM 452 CB VAL A 29 3.725 -3.185 0.924 1.00 0.00 C ATOM 453 CG1 VAL A 29 2.999 -4.527 1.014 1.00 0.00 C ATOM 454 CG2 VAL A 29 4.091 -2.901 -0.534 1.00 0.00 C ATOM 0 H VAL A 29 1.738 -2.163 -0.407 1.00 0.00 H new ATOM 0 HA VAL A 29 2.579 -2.190 2.502 1.00 0.00 H new ATOM 0 HB VAL A 29 4.633 -3.219 1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.651 -5.319 0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.735 -4.729 2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.093 -4.492 0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.746 -3.689 -0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.184 -2.869 -1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.604 -1.942 -0.600 1.00 0.00 H new ATOM 464 N LEU A 30 4.282 -0.342 2.261 1.00 0.00 N ATOM 465 CA LEU A 30 4.976 0.981 2.210 1.00 0.00 C ATOM 466 C LEU A 30 5.993 1.026 1.066 1.00 0.00 C ATOM 467 O LEU A 30 7.154 1.315 1.275 1.00 0.00 O ATOM 468 CB LEU A 30 5.682 1.103 3.564 1.00 0.00 C ATOM 469 CG LEU A 30 4.657 0.956 4.694 1.00 0.00 C ATOM 470 CD1 LEU A 30 5.377 0.986 6.043 1.00 0.00 C ATOM 471 CD2 LEU A 30 3.655 2.112 4.630 1.00 0.00 C ATOM 0 H LEU A 30 4.489 -0.903 3.087 1.00 0.00 H new ATOM 0 HA LEU A 30 4.279 1.799 2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.451 0.336 3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.184 2.068 3.638 1.00 0.00 H new ATOM 0 HG LEU A 30 4.129 0.009 4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.648 0.881 6.847 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.092 0.165 6.092 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.905 1.933 6.153 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.926 2.007 5.434 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.184 3.059 4.741 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.140 2.095 3.669 1.00 0.00 H new ATOM 483 N ALA A 31 5.555 0.753 -0.141 1.00 0.00 N ATOM 484 CA ALA A 31 6.477 0.779 -1.320 1.00 0.00 C ATOM 485 C ALA A 31 7.888 0.362 -0.914 1.00 0.00 C ATOM 486 O ALA A 31 8.865 0.981 -1.291 1.00 0.00 O ATOM 487 CB ALA A 31 6.459 2.227 -1.812 1.00 0.00 C ATOM 0 H ALA A 31 4.589 0.511 -0.360 1.00 0.00 H new ATOM 0 HA ALA A 31 6.162 0.082 -2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.114 2.325 -2.678 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.443 2.503 -2.093 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.808 2.886 -1.017 1.00 0.00 H new ATOM 493 N SER A 32 7.999 -0.683 -0.147 1.00 0.00 N ATOM 494 CA SER A 32 9.350 -1.146 0.290 1.00 0.00 C ATOM 495 C SER A 32 9.330 -2.648 0.595 1.00 0.00 C ATOM 496 O SER A 32 8.608 -3.094 1.465 1.00 0.00 O ATOM 497 CB SER A 32 9.648 -0.348 1.558 1.00 0.00 C ATOM 498 OG SER A 32 10.711 -0.975 2.266 1.00 0.00 O ATOM 0 H SER A 32 7.216 -1.239 0.198 1.00 0.00 H new ATOM 0 HA SER A 32 10.106 -0.992 -0.480 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.920 0.676 1.302 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.759 -0.294 2.186 1.00 0.00 H new ATOM 0 HG SER A 32 10.379 -1.311 3.125 1.00 0.00 H new ATOM 504 N PRO A 33 10.132 -3.381 -0.132 1.00 0.00 N ATOM 505 CA PRO A 33 10.209 -4.846 0.066 1.00 0.00 C ATOM 506 C PRO A 33 11.080 -5.179 1.282 1.00 0.00 C ATOM 507 O PRO A 33 12.290 -5.240 1.193 1.00 0.00 O ATOM 508 CB PRO A 33 10.860 -5.345 -1.219 1.00 0.00 C ATOM 509 CG PRO A 33 11.645 -4.182 -1.746 1.00 0.00 C ATOM 510 CD PRO A 33 11.028 -2.918 -1.197 1.00 0.00 C ATOM 0 HA PRO A 33 9.238 -5.304 0.254 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.507 -6.200 -1.025 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.109 -5.671 -1.939 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.690 -4.259 -1.444 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.628 -4.173 -2.836 1.00 0.00 H new ATOM 0 HD2 PRO A 33 11.789 -2.241 -0.809 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.481 -2.375 -1.968 1.00 0.00 H new ATOM 518 N PHE A 34 10.473 -5.396 2.416 1.00 0.00 N ATOM 519 CA PHE A 34 11.265 -5.726 3.635 1.00 0.00 C ATOM 520 C PHE A 34 11.831 -7.145 3.531 1.00 0.00 C ATOM 521 O PHE A 34 11.817 -7.843 4.531 1.00 0.00 O ATOM 522 CB PHE A 34 10.270 -5.631 4.792 1.00 0.00 C ATOM 523 CG PHE A 34 10.276 -4.228 5.351 1.00 0.00 C ATOM 524 CD1 PHE A 34 9.649 -3.190 4.650 1.00 0.00 C ATOM 525 CD2 PHE A 34 10.907 -3.968 6.572 1.00 0.00 C ATOM 526 CE1 PHE A 34 9.655 -1.891 5.171 1.00 0.00 C ATOM 527 CE2 PHE A 34 10.913 -2.669 7.093 1.00 0.00 C ATOM 528 CZ PHE A 34 10.288 -1.630 6.393 1.00 0.00 C ATOM 529 OXT PHE A 34 12.268 -7.509 2.452 1.00 0.00 O ATOM 0 H PHE A 34 9.463 -5.359 2.552 1.00 0.00 H new ATOM 0 HA PHE A 34 12.113 -5.055 3.770 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.269 -5.892 4.447 1.00 0.00 H new ATOM 0 HB3 PHE A 34 10.534 -6.345 5.572 1.00 0.00 H new ATOM 0 HD1 PHE A 34 9.161 -3.392 3.708 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.389 -4.769 7.112 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.172 -1.090 4.631 1.00 0.00 H new ATOM 0 HE2 PHE A 34 11.400 -2.468 8.036 1.00 0.00 H new ATOM 0 HZ PHE A 34 10.294 -0.628 6.795 1.00 0.00 H new TER 539 PHE A 34