USER MOD reduce.3.24.130724 H: found=0, std=0, add=256, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 257 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.932 K(o=-0.93,f=-2.2!) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -115:sc= -0.775 (180deg=-3.52!) USER MOD Single : A 22 LYS NZ :NH3+ -127:sc= -0.0168 (180deg=-0.418) USER MOD Single : A 24 SER OG : rot 180:sc=-0.00653 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -2.51 X(o=-2.5,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 10 N CYS A 2 -8.217 6.697 2.160 1.00 0.00 N ATOM 11 CA CYS A 2 -8.564 5.321 1.812 1.00 0.00 C ATOM 12 C CYS A 2 -7.622 4.331 2.491 1.00 0.00 C ATOM 13 O CYS A 2 -8.067 3.384 3.138 1.00 0.00 O ATOM 14 CB CYS A 2 -8.541 5.112 0.288 1.00 0.00 C ATOM 15 SG CYS A 2 -8.112 6.593 -0.693 1.00 0.00 S ATOM 0 HA CYS A 2 -9.577 5.138 2.170 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -7.826 4.323 0.056 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -9.522 4.757 -0.029 1.00 0.00 H new ATOM 20 N LEU A 3 -6.320 4.557 2.347 1.00 0.00 N ATOM 21 CA LEU A 3 -5.325 3.682 2.957 1.00 0.00 C ATOM 22 C LEU A 3 -4.042 4.424 3.247 1.00 0.00 C ATOM 23 O LEU A 3 -3.674 5.364 2.544 1.00 0.00 O ATOM 24 CB LEU A 3 -5.046 2.472 2.067 1.00 0.00 C ATOM 25 CG LEU A 3 -6.040 1.319 2.215 1.00 0.00 C ATOM 26 CD1 LEU A 3 -5.809 0.276 1.135 1.00 0.00 C ATOM 27 CD2 LEU A 3 -5.926 0.693 3.597 1.00 0.00 C ATOM 0 H LEU A 3 -5.930 5.335 1.815 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.735 3.332 3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.043 2.798 1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.045 2.100 2.288 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.049 1.715 2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.525 -0.537 1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.940 0.733 0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.796 -0.117 1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.640 -0.126 3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.916 0.310 3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.141 1.445 4.356 1.00 0.00 H new ATOM 39 N GLU A 4 -3.368 3.995 4.305 1.00 0.00 N ATOM 40 CA GLU A 4 -2.129 4.618 4.704 1.00 0.00 C ATOM 41 C GLU A 4 -0.963 3.638 4.612 1.00 0.00 C ATOM 42 O GLU A 4 -1.138 2.482 4.223 1.00 0.00 O ATOM 43 CB GLU A 4 -2.239 5.170 6.127 1.00 0.00 C ATOM 44 CG GLU A 4 -1.500 6.483 6.328 1.00 0.00 C ATOM 45 CD GLU A 4 -2.146 7.360 7.381 1.00 0.00 C ATOM 46 OE1 GLU A 4 -3.341 7.150 7.678 1.00 0.00 O ATOM 47 OE2 GLU A 4 -1.457 8.258 7.911 1.00 0.00 O ATOM 0 H GLU A 4 -3.664 3.219 4.897 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.937 5.443 4.018 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.291 5.314 6.372 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.847 4.431 6.826 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.469 6.275 6.616 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.464 7.024 5.382 1.00 0.00 H new ATOM 54 N PHE A 5 0.226 4.106 4.975 1.00 0.00 N ATOM 55 CA PHE A 5 1.425 3.275 4.935 1.00 0.00 C ATOM 56 C PHE A 5 1.230 1.981 5.717 1.00 0.00 C ATOM 57 O PHE A 5 0.586 1.967 6.767 1.00 0.00 O ATOM 58 CB PHE A 5 2.622 4.046 5.495 1.00 0.00 C ATOM 59 CG PHE A 5 3.914 3.281 5.430 1.00 0.00 C ATOM 60 CD1 PHE A 5 4.288 2.628 4.267 1.00 0.00 C ATOM 61 CD2 PHE A 5 4.752 3.218 6.530 1.00 0.00 C ATOM 62 CE1 PHE A 5 5.475 1.924 4.203 1.00 0.00 C ATOM 63 CE2 PHE A 5 5.941 2.515 6.473 1.00 0.00 C ATOM 64 CZ PHE A 5 6.303 1.868 5.307 1.00 0.00 C ATOM 0 H PHE A 5 0.386 5.059 5.301 1.00 0.00 H new ATOM 0 HA PHE A 5 1.617 3.017 3.894 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.734 4.979 4.942 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.419 4.312 6.532 1.00 0.00 H new ATOM 0 HD1 PHE A 5 3.645 2.670 3.401 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.474 3.724 7.443 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.755 1.418 3.291 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.586 2.472 7.338 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.232 1.319 5.259 1.00 0.00 H new ATOM 74 N TRP A 6 1.799 0.896 5.197 1.00 0.00 N ATOM 75 CA TRP A 6 1.705 -0.416 5.835 1.00 0.00 C ATOM 76 C TRP A 6 0.341 -1.060 5.602 1.00 0.00 C ATOM 77 O TRP A 6 0.258 -2.163 5.064 1.00 0.00 O ATOM 78 CB TRP A 6 1.981 -0.308 7.338 1.00 0.00 C ATOM 79 CG TRP A 6 2.331 -1.620 7.973 1.00 0.00 C ATOM 80 CD1 TRP A 6 3.396 -2.418 7.670 1.00 0.00 C ATOM 81 CD2 TRP A 6 1.613 -2.286 9.018 1.00 0.00 C ATOM 82 NE1 TRP A 6 3.385 -3.540 8.464 1.00 0.00 N ATOM 83 CE2 TRP A 6 2.300 -3.481 9.298 1.00 0.00 C ATOM 84 CE3 TRP A 6 0.456 -1.986 9.742 1.00 0.00 C ATOM 85 CZ2 TRP A 6 1.867 -4.377 10.274 1.00 0.00 C ATOM 86 CZ3 TRP A 6 0.028 -2.875 10.710 1.00 0.00 C ATOM 87 CH2 TRP A 6 0.732 -4.058 10.969 1.00 0.00 C ATOM 0 H TRP A 6 2.334 0.900 4.329 1.00 0.00 H new ATOM 0 HA TRP A 6 2.462 -1.053 5.378 1.00 0.00 H new ATOM 0 HB2 TRP A 6 2.797 0.396 7.501 1.00 0.00 H new ATOM 0 HB3 TRP A 6 1.102 0.104 7.833 1.00 0.00 H new ATOM 0 HD1 TRP A 6 4.139 -2.200 6.917 1.00 0.00 H new ATOM 0 HE1 TRP A 6 4.072 -4.293 8.437 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -0.093 -1.077 9.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 2.408 -5.290 10.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -0.865 -2.654 11.276 1.00 0.00 H new ATOM 0 HH2 TRP A 6 0.372 -4.732 11.732 1.00 0.00 H new ATOM 98 N TRP A 7 -0.727 -0.372 6.017 1.00 0.00 N ATOM 99 CA TRP A 7 -2.094 -0.884 5.864 1.00 0.00 C ATOM 100 C TRP A 7 -2.231 -1.776 4.629 1.00 0.00 C ATOM 101 O TRP A 7 -2.325 -1.291 3.502 1.00 0.00 O ATOM 102 CB TRP A 7 -3.088 0.276 5.791 1.00 0.00 C ATOM 103 CG TRP A 7 -3.258 0.997 7.096 1.00 0.00 C ATOM 104 CD1 TRP A 7 -2.555 0.787 8.248 1.00 0.00 C ATOM 105 CD2 TRP A 7 -4.191 2.045 7.381 1.00 0.00 C ATOM 106 NE1 TRP A 7 -2.993 1.641 9.231 1.00 0.00 N ATOM 107 CE2 TRP A 7 -3.997 2.424 8.723 1.00 0.00 C ATOM 108 CE3 TRP A 7 -5.171 2.700 6.632 1.00 0.00 C ATOM 109 CZ2 TRP A 7 -4.747 3.429 9.329 1.00 0.00 C ATOM 110 CZ3 TRP A 7 -5.913 3.698 7.233 1.00 0.00 C ATOM 111 CH2 TRP A 7 -5.698 4.055 8.570 1.00 0.00 C ATOM 0 H TRP A 7 -0.672 0.544 6.463 1.00 0.00 H new ATOM 0 HA TRP A 7 -2.318 -1.495 6.739 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -2.753 0.985 5.034 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -4.056 -0.105 5.466 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -1.769 0.056 8.369 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -2.630 1.685 10.183 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -5.346 2.431 5.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -4.584 3.704 10.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -6.672 4.212 6.662 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -6.295 4.840 9.011 1.00 0.00 H new ATOM 122 N LYS A 8 -2.226 -3.089 4.861 1.00 0.00 N ATOM 123 CA LYS A 8 -2.333 -4.073 3.786 1.00 0.00 C ATOM 124 C LYS A 8 -3.412 -3.693 2.773 1.00 0.00 C ATOM 125 O LYS A 8 -4.443 -3.122 3.129 1.00 0.00 O ATOM 126 CB LYS A 8 -2.623 -5.459 4.370 1.00 0.00 C ATOM 127 CG LYS A 8 -2.875 -6.530 3.317 1.00 0.00 C ATOM 128 CD LYS A 8 -2.093 -7.799 3.611 1.00 0.00 C ATOM 129 CE LYS A 8 -2.807 -8.670 4.632 1.00 0.00 C ATOM 130 NZ LYS A 8 -2.279 -8.459 6.008 1.00 0.00 N ATOM 0 H LYS A 8 -2.148 -3.497 5.793 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.379 -4.093 3.259 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.781 -5.765 4.991 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.493 -5.393 5.023 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.940 -6.759 3.278 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.595 -6.149 2.335 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.950 -8.361 2.688 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.102 -7.539 3.983 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.874 -8.449 4.615 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.694 -9.719 4.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.792 -9.071 6.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.266 -8.694 6.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.410 -7.464 6.281 1.00 0.00 H new ATOM 144 N CYS A 9 -3.159 -4.021 1.510 1.00 0.00 N ATOM 145 CA CYS A 9 -4.096 -3.726 0.433 1.00 0.00 C ATOM 146 C CYS A 9 -4.155 -4.881 -0.562 1.00 0.00 C ATOM 147 O CYS A 9 -3.507 -5.910 -0.371 1.00 0.00 O ATOM 148 CB CYS A 9 -3.689 -2.438 -0.286 1.00 0.00 C ATOM 149 SG CYS A 9 -1.924 -2.364 -0.737 1.00 0.00 S ATOM 0 H CYS A 9 -2.308 -4.494 1.207 1.00 0.00 H new ATOM 0 HA CYS A 9 -5.086 -3.592 0.869 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.289 -2.334 -1.190 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.926 -1.587 0.353 1.00 0.00 H new ATOM 154 N ASN A 10 -4.933 -4.704 -1.625 1.00 0.00 N ATOM 155 CA ASN A 10 -5.073 -5.734 -2.648 1.00 0.00 C ATOM 156 C ASN A 10 -5.292 -5.106 -4.023 1.00 0.00 C ATOM 157 O ASN A 10 -5.629 -3.929 -4.128 1.00 0.00 O ATOM 158 CB ASN A 10 -6.237 -6.666 -2.308 1.00 0.00 C ATOM 159 CG ASN A 10 -5.795 -7.876 -1.509 1.00 0.00 C ATOM 160 OD1 ASN A 10 -5.192 -7.745 -0.445 1.00 0.00 O ATOM 161 ND2 ASN A 10 -6.094 -9.064 -2.023 1.00 0.00 N ATOM 0 H ASN A 10 -5.475 -3.858 -1.800 1.00 0.00 H new ATOM 0 HA ASN A 10 -4.150 -6.314 -2.675 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -6.987 -6.114 -1.741 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -6.714 -6.998 -3.230 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.822 -9.915 -1.532 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -6.596 -9.125 -2.909 1.00 0.00 H new ATOM 168 N PRO A 11 -5.099 -5.888 -5.099 1.00 0.00 N ATOM 169 CA PRO A 11 -5.277 -5.401 -6.472 1.00 0.00 C ATOM 170 C PRO A 11 -6.715 -4.976 -6.760 1.00 0.00 C ATOM 171 O PRO A 11 -6.963 -4.155 -7.644 1.00 0.00 O ATOM 172 CB PRO A 11 -4.892 -6.605 -7.338 1.00 0.00 C ATOM 173 CG PRO A 11 -5.036 -7.787 -6.442 1.00 0.00 C ATOM 174 CD PRO A 11 -4.691 -7.302 -5.064 1.00 0.00 C ATOM 0 HA PRO A 11 -4.675 -4.513 -6.664 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.542 -6.689 -8.209 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.871 -6.514 -7.710 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.052 -8.181 -6.475 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.371 -8.594 -6.750 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.227 -7.858 -4.295 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.627 -7.410 -4.853 1.00 0.00 H new ATOM 182 N ASN A 12 -7.659 -5.540 -6.012 1.00 0.00 N ATOM 183 CA ASN A 12 -9.071 -5.219 -6.193 1.00 0.00 C ATOM 184 C ASN A 12 -9.493 -4.072 -5.278 1.00 0.00 C ATOM 185 O ASN A 12 -10.052 -3.075 -5.733 1.00 0.00 O ATOM 186 CB ASN A 12 -9.935 -6.451 -5.917 1.00 0.00 C ATOM 187 CG ASN A 12 -10.172 -7.280 -7.164 1.00 0.00 C ATOM 188 OD1 ASN A 12 -10.921 -6.880 -8.057 1.00 0.00 O ATOM 189 ND2 ASN A 12 -9.536 -8.444 -7.232 1.00 0.00 N ATOM 0 H ASN A 12 -7.472 -6.221 -5.276 1.00 0.00 H new ATOM 0 HA ASN A 12 -9.216 -4.906 -7.227 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -9.452 -7.068 -5.160 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -10.894 -6.135 -5.506 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -9.659 -9.045 -8.047 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -8.925 -8.737 -6.470 1.00 0.00 H new ATOM 196 N ASP A 13 -9.221 -4.224 -3.986 1.00 0.00 N ATOM 197 CA ASP A 13 -9.572 -3.204 -3.002 1.00 0.00 C ATOM 198 C ASP A 13 -8.450 -2.177 -2.841 1.00 0.00 C ATOM 199 O ASP A 13 -8.475 -1.361 -1.921 1.00 0.00 O ATOM 200 CB ASP A 13 -9.878 -3.854 -1.652 1.00 0.00 C ATOM 201 CG ASP A 13 -11.013 -3.163 -0.922 1.00 0.00 C ATOM 202 OD1 ASP A 13 -11.987 -2.755 -1.590 1.00 0.00 O ATOM 203 OD2 ASP A 13 -10.928 -3.028 0.316 1.00 0.00 O ATOM 0 H ASP A 13 -8.758 -5.044 -3.595 1.00 0.00 H new ATOM 0 HA ASP A 13 -10.460 -2.685 -3.363 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -10.134 -4.902 -1.806 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.983 -3.832 -1.030 1.00 0.00 H new ATOM 208 N ASP A 14 -7.463 -2.230 -3.737 1.00 0.00 N ATOM 209 CA ASP A 14 -6.325 -1.313 -3.693 1.00 0.00 C ATOM 210 C ASP A 14 -6.763 0.119 -3.399 1.00 0.00 C ATOM 211 O ASP A 14 -7.175 0.851 -4.298 1.00 0.00 O ATOM 212 CB ASP A 14 -5.562 -1.356 -5.020 1.00 0.00 C ATOM 213 CG ASP A 14 -4.060 -1.400 -4.822 1.00 0.00 C ATOM 214 OD1 ASP A 14 -3.446 -0.320 -4.690 1.00 0.00 O ATOM 215 OD2 ASP A 14 -3.496 -2.514 -4.799 1.00 0.00 O ATOM 0 H ASP A 14 -7.430 -2.901 -4.504 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.673 -1.639 -2.883 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.877 -2.231 -5.589 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.822 -0.480 -5.614 1.00 0.00 H new ATOM 220 N LYS A 15 -6.664 0.513 -2.134 1.00 0.00 N ATOM 221 CA LYS A 15 -7.041 1.859 -1.721 1.00 0.00 C ATOM 222 C LYS A 15 -5.801 2.730 -1.521 1.00 0.00 C ATOM 223 O LYS A 15 -5.837 3.725 -0.792 1.00 0.00 O ATOM 224 CB LYS A 15 -7.874 1.807 -0.438 1.00 0.00 C ATOM 225 CG LYS A 15 -9.314 2.252 -0.634 1.00 0.00 C ATOM 226 CD LYS A 15 -10.027 2.436 0.696 1.00 0.00 C ATOM 227 CE LYS A 15 -11.347 3.170 0.523 1.00 0.00 C ATOM 228 NZ LYS A 15 -12.477 2.231 0.282 1.00 0.00 N ATOM 0 H LYS A 15 -6.326 -0.081 -1.377 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.646 2.305 -2.510 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.866 0.789 -0.050 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.406 2.439 0.316 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.334 3.189 -1.191 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.846 1.513 -1.234 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.208 1.462 1.151 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.386 2.993 1.380 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.552 3.763 1.414 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.269 3.866 -0.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -13.359 2.771 0.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.294 1.682 -0.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.569 1.583 1.090 1.00 0.00 H new ATOM 242 N CYS A 16 -4.709 2.350 -2.184 1.00 0.00 N ATOM 243 CA CYS A 16 -3.456 3.091 -2.098 1.00 0.00 C ATOM 244 C CYS A 16 -3.616 4.471 -2.727 1.00 0.00 C ATOM 245 O CYS A 16 -3.505 4.626 -3.943 1.00 0.00 O ATOM 246 CB CYS A 16 -2.340 2.318 -2.809 1.00 0.00 C ATOM 247 SG CYS A 16 -0.922 1.884 -1.750 1.00 0.00 S ATOM 0 H CYS A 16 -4.670 1.529 -2.788 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.191 3.212 -1.048 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.759 1.402 -3.225 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.981 2.914 -3.648 1.00 0.00 H new ATOM 252 N CYS A 17 -3.890 5.469 -1.895 1.00 0.00 N ATOM 253 CA CYS A 17 -4.081 6.833 -2.379 1.00 0.00 C ATOM 254 C CYS A 17 -3.059 7.787 -1.767 1.00 0.00 C ATOM 255 O CYS A 17 -3.383 8.566 -0.870 1.00 0.00 O ATOM 256 CB CYS A 17 -5.498 7.313 -2.061 1.00 0.00 C ATOM 257 SG CYS A 17 -6.110 6.798 -0.424 1.00 0.00 S ATOM 0 H CYS A 17 -3.985 5.361 -0.885 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.936 6.828 -3.459 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.523 8.401 -2.120 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.177 6.936 -2.826 1.00 0.00 H new ATOM 262 N ARG A 18 -1.829 7.727 -2.266 1.00 0.00 N ATOM 263 CA ARG A 18 -0.761 8.591 -1.779 1.00 0.00 C ATOM 264 C ARG A 18 0.409 8.604 -2.756 1.00 0.00 C ATOM 265 O ARG A 18 0.733 7.581 -3.359 1.00 0.00 O ATOM 266 CB ARG A 18 -0.275 8.128 -0.403 1.00 0.00 C ATOM 267 CG ARG A 18 -1.162 8.589 0.742 1.00 0.00 C ATOM 268 CD ARG A 18 -0.341 9.075 1.927 1.00 0.00 C ATOM 269 NE ARG A 18 -1.077 8.962 3.184 1.00 0.00 N ATOM 270 CZ ARG A 18 -0.843 9.719 4.255 1.00 0.00 C ATOM 271 NH1 ARG A 18 0.108 10.646 4.230 1.00 0.00 N ATOM 272 NH2 ARG A 18 -1.563 9.549 5.356 1.00 0.00 N ATOM 0 H ARG A 18 -1.547 7.088 -3.009 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.162 9.601 -1.692 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.220 7.039 -0.394 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.737 8.500 -0.240 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.814 9.391 0.397 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.806 7.768 1.057 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.580 8.496 1.992 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.053 10.114 1.767 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.815 8.261 3.245 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.665 10.782 3.387 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.281 11.222 5.054 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.295 8.839 5.382 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.385 10.128 6.177 1.00 0.00 H new ATOM 286 N PRO A 19 1.069 9.762 -2.917 1.00 0.00 N ATOM 287 CA PRO A 19 2.216 9.890 -3.817 1.00 0.00 C ATOM 288 C PRO A 19 3.387 9.046 -3.377 1.00 0.00 C ATOM 289 O PRO A 19 4.341 8.848 -4.130 1.00 0.00 O ATOM 290 CB PRO A 19 2.568 11.380 -3.753 1.00 0.00 C ATOM 291 CG PRO A 19 1.997 11.853 -2.461 1.00 0.00 C ATOM 292 CD PRO A 19 0.763 11.028 -2.228 1.00 0.00 C ATOM 0 HA PRO A 19 1.980 9.544 -4.824 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.647 11.533 -3.788 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.141 11.923 -4.596 1.00 0.00 H new ATOM 0 HG2 PRO A 19 2.712 11.725 -1.648 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.754 12.915 -2.507 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.577 10.873 -1.165 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.125 11.507 -2.641 1.00 0.00 H new ATOM 300 N LYS A 20 3.325 8.560 -2.152 1.00 0.00 N ATOM 301 CA LYS A 20 4.397 7.755 -1.626 1.00 0.00 C ATOM 302 C LYS A 20 3.975 6.294 -1.431 1.00 0.00 C ATOM 303 O LYS A 20 4.822 5.406 -1.369 1.00 0.00 O ATOM 304 CB LYS A 20 4.900 8.404 -0.343 1.00 0.00 C ATOM 305 CG LYS A 20 4.831 7.539 0.911 1.00 0.00 C ATOM 306 CD LYS A 20 4.547 8.378 2.145 1.00 0.00 C ATOM 307 CE LYS A 20 3.210 9.090 2.027 1.00 0.00 C ATOM 308 NZ LYS A 20 2.672 9.492 3.357 1.00 0.00 N ATOM 0 H LYS A 20 2.547 8.710 -1.510 1.00 0.00 H new ATOM 0 HA LYS A 20 5.216 7.717 -2.344 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.935 8.709 -0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.323 9.312 -0.167 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.052 6.786 0.793 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.773 7.006 1.040 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.546 7.741 3.029 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.342 9.111 2.281 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.324 9.974 1.400 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.494 8.436 1.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.793 8.970 3.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.372 9.274 4.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.475 10.513 3.358 1.00 0.00 H new ATOM 322 N LEU A 21 2.669 6.049 -1.334 1.00 0.00 N ATOM 323 CA LEU A 21 2.165 4.688 -1.146 1.00 0.00 C ATOM 324 C LEU A 21 2.096 3.940 -2.473 1.00 0.00 C ATOM 325 O LEU A 21 2.173 4.542 -3.544 1.00 0.00 O ATOM 326 CB LEU A 21 0.780 4.701 -0.492 1.00 0.00 C ATOM 327 CG LEU A 21 0.736 5.252 0.932 1.00 0.00 C ATOM 328 CD1 LEU A 21 -0.704 5.442 1.387 1.00 0.00 C ATOM 329 CD2 LEU A 21 1.473 4.323 1.881 1.00 0.00 C ATOM 0 H LEU A 21 1.946 6.767 -1.382 1.00 0.00 H new ATOM 0 HA LEU A 21 2.863 4.172 -0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.108 5.293 -1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.391 3.683 -0.482 1.00 0.00 H new ATOM 0 HG LEU A 21 1.231 6.223 0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.716 5.835 2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.206 6.143 0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.223 4.484 1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.433 4.729 2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.003 3.340 1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.513 4.233 1.567 1.00 0.00 H new ATOM 341 N LYS A 22 1.946 2.620 -2.390 1.00 0.00 N ATOM 342 CA LYS A 22 1.863 1.777 -3.578 1.00 0.00 C ATOM 343 C LYS A 22 1.739 0.307 -3.189 1.00 0.00 C ATOM 344 O LYS A 22 2.655 -0.267 -2.601 1.00 0.00 O ATOM 345 CB LYS A 22 3.093 1.979 -4.467 1.00 0.00 C ATOM 346 CG LYS A 22 2.772 2.013 -5.952 1.00 0.00 C ATOM 347 CD LYS A 22 2.398 0.634 -6.472 1.00 0.00 C ATOM 348 CE LYS A 22 3.609 -0.101 -7.023 1.00 0.00 C ATOM 349 NZ LYS A 22 4.178 -1.055 -6.033 1.00 0.00 N ATOM 0 H LYS A 22 1.879 2.111 -1.509 1.00 0.00 H new ATOM 0 HA LYS A 22 0.973 2.067 -4.136 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.583 2.912 -4.188 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.805 1.176 -4.276 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.950 2.706 -6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.634 2.390 -6.503 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.951 0.050 -5.668 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.644 0.731 -7.253 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.325 -0.641 -7.926 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.372 0.622 -7.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.194 -0.868 -5.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.696 -0.936 -5.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.042 -2.029 -6.371 1.00 0.00 H new ATOM 363 N CYS A 23 0.601 -0.298 -3.516 1.00 0.00 N ATOM 364 CA CYS A 23 0.362 -1.702 -3.196 1.00 0.00 C ATOM 365 C CYS A 23 1.399 -2.595 -3.867 1.00 0.00 C ATOM 366 O CYS A 23 1.172 -3.117 -4.959 1.00 0.00 O ATOM 367 CB CYS A 23 -1.046 -2.118 -3.633 1.00 0.00 C ATOM 368 SG CYS A 23 -1.842 -3.325 -2.524 1.00 0.00 S ATOM 0 H CYS A 23 -0.169 0.161 -4.002 1.00 0.00 H new ATOM 0 HA CYS A 23 0.448 -1.821 -2.116 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.673 -1.229 -3.695 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.993 -2.542 -4.636 1.00 0.00 H new ATOM 373 N SER A 24 2.540 -2.768 -3.207 1.00 0.00 N ATOM 374 CA SER A 24 3.612 -3.598 -3.739 1.00 0.00 C ATOM 375 C SER A 24 3.367 -5.069 -3.425 1.00 0.00 C ATOM 376 O SER A 24 2.635 -5.403 -2.492 1.00 0.00 O ATOM 377 CB SER A 24 4.959 -3.158 -3.161 1.00 0.00 C ATOM 378 OG SER A 24 6.024 -3.909 -3.720 1.00 0.00 O ATOM 0 H SER A 24 2.745 -2.344 -2.302 1.00 0.00 H new ATOM 0 HA SER A 24 3.631 -3.475 -4.822 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.114 -2.098 -3.359 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.952 -3.282 -2.078 1.00 0.00 H new ATOM 0 HG SER A 24 6.874 -3.608 -3.336 1.00 0.00 H new ATOM 384 N LYS A 25 3.985 -5.946 -4.209 1.00 0.00 N ATOM 385 CA LYS A 25 3.833 -7.385 -4.015 1.00 0.00 C ATOM 386 C LYS A 25 4.894 -7.932 -3.061 1.00 0.00 C ATOM 387 O LYS A 25 5.041 -9.146 -2.920 1.00 0.00 O ATOM 388 CB LYS A 25 3.918 -8.111 -5.359 1.00 0.00 C ATOM 389 CG LYS A 25 3.245 -9.473 -5.357 1.00 0.00 C ATOM 390 CD LYS A 25 4.248 -10.592 -5.127 1.00 0.00 C ATOM 391 CE LYS A 25 3.936 -11.807 -5.985 1.00 0.00 C ATOM 392 NZ LYS A 25 5.175 -12.466 -6.485 1.00 0.00 N ATOM 0 H LYS A 25 4.595 -5.687 -4.984 1.00 0.00 H new ATOM 0 HA LYS A 25 2.853 -7.561 -3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.460 -7.489 -6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.966 -8.233 -5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.482 -9.502 -4.579 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.736 -9.629 -6.308 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.252 -10.234 -5.354 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.241 -10.877 -4.075 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.354 -12.522 -5.404 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.318 -11.505 -6.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.920 -13.290 -7.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.719 -11.792 -7.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.753 -12.777 -5.678 1.00 0.00 H new ATOM 406 N LEU A 26 5.632 -7.036 -2.408 1.00 0.00 N ATOM 407 CA LEU A 26 6.672 -7.446 -1.472 1.00 0.00 C ATOM 408 C LEU A 26 6.071 -8.210 -0.295 1.00 0.00 C ATOM 409 O LEU A 26 6.529 -9.301 0.045 1.00 0.00 O ATOM 410 CB LEU A 26 7.447 -6.224 -0.974 1.00 0.00 C ATOM 411 CG LEU A 26 8.460 -6.504 0.138 1.00 0.00 C ATOM 412 CD1 LEU A 26 9.663 -7.254 -0.413 1.00 0.00 C ATOM 413 CD2 LEU A 26 8.896 -5.206 0.801 1.00 0.00 C ATOM 0 H LEU A 26 5.528 -6.026 -2.510 1.00 0.00 H new ATOM 0 HA LEU A 26 7.361 -8.110 -1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.972 -5.778 -1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.733 -5.482 -0.615 1.00 0.00 H new ATOM 0 HG LEU A 26 7.981 -7.130 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.373 -7.444 0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.336 -8.202 -0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.143 -6.654 -1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.616 -5.424 1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.357 -4.555 0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.027 -4.707 1.231 1.00 0.00 H new ATOM 425 N PHE A 27 5.040 -7.637 0.319 1.00 0.00 N ATOM 426 CA PHE A 27 4.377 -8.277 1.451 1.00 0.00 C ATOM 427 C PHE A 27 2.882 -7.958 1.481 1.00 0.00 C ATOM 428 O PHE A 27 2.214 -8.185 2.489 1.00 0.00 O ATOM 429 CB PHE A 27 5.037 -7.872 2.778 1.00 0.00 C ATOM 430 CG PHE A 27 5.173 -6.387 2.993 1.00 0.00 C ATOM 431 CD1 PHE A 27 5.836 -5.588 2.073 1.00 0.00 C ATOM 432 CD2 PHE A 27 4.649 -5.793 4.131 1.00 0.00 C ATOM 433 CE1 PHE A 27 5.968 -4.228 2.282 1.00 0.00 C ATOM 434 CE2 PHE A 27 4.781 -4.434 4.346 1.00 0.00 C ATOM 435 CZ PHE A 27 5.440 -3.651 3.420 1.00 0.00 C ATOM 0 H PHE A 27 4.647 -6.734 0.053 1.00 0.00 H new ATOM 0 HA PHE A 27 4.488 -9.354 1.324 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.455 -8.291 3.599 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.028 -8.323 2.827 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.254 -6.034 1.183 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.131 -6.400 4.859 1.00 0.00 H new ATOM 0 HE1 PHE A 27 6.484 -3.617 1.556 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.369 -3.985 5.238 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.543 -2.589 3.585 1.00 0.00 H new ATOM 445 N LYS A 28 2.357 -7.450 0.365 1.00 0.00 N ATOM 446 CA LYS A 28 0.937 -7.118 0.257 1.00 0.00 C ATOM 447 C LYS A 28 0.564 -5.946 1.162 1.00 0.00 C ATOM 448 O LYS A 28 -0.379 -6.035 1.949 1.00 0.00 O ATOM 449 CB LYS A 28 0.077 -8.336 0.601 1.00 0.00 C ATOM 450 CG LYS A 28 0.392 -9.561 -0.242 1.00 0.00 C ATOM 451 CD LYS A 28 -0.648 -9.771 -1.331 1.00 0.00 C ATOM 452 CE LYS A 28 -1.909 -10.418 -0.781 1.00 0.00 C ATOM 453 NZ LYS A 28 -1.873 -11.901 -0.908 1.00 0.00 N ATOM 0 H LYS A 28 2.897 -7.259 -0.479 1.00 0.00 H new ATOM 0 HA LYS A 28 0.746 -6.822 -0.775 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.217 -8.584 1.653 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.974 -8.077 0.472 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.377 -9.449 -0.695 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.434 -10.443 0.397 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.898 -8.813 -1.786 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.230 -10.398 -2.118 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.029 -10.146 0.268 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.778 -10.029 -1.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.751 -12.304 -0.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.785 -12.161 -1.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.059 -12.275 -0.380 1.00 0.00 H new ATOM 467 N LEU A 29 1.298 -4.846 1.042 1.00 0.00 N ATOM 468 CA LEU A 29 1.030 -3.661 1.850 1.00 0.00 C ATOM 469 C LEU A 29 1.291 -2.387 1.052 1.00 0.00 C ATOM 470 O LEU A 29 2.108 -2.377 0.131 1.00 0.00 O ATOM 471 CB LEU A 29 1.886 -3.678 3.119 1.00 0.00 C ATOM 472 CG LEU A 29 1.333 -4.533 4.264 1.00 0.00 C ATOM 473 CD1 LEU A 29 1.543 -6.012 3.981 1.00 0.00 C ATOM 474 CD2 LEU A 29 1.983 -4.147 5.585 1.00 0.00 C ATOM 0 H LEU A 29 2.081 -4.749 0.395 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.022 -3.674 2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.881 -4.041 2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.002 -2.654 3.474 1.00 0.00 H new ATOM 0 HG LEU A 29 0.262 -4.347 4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.143 -6.601 4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.028 -6.283 3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.609 -6.214 3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.577 -4.766 6.385 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.060 -4.301 5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.778 -3.098 5.798 1.00 0.00 H new ATOM 486 N CYS A 30 0.590 -1.313 1.408 1.00 0.00 N ATOM 487 CA CYS A 30 0.748 -0.036 0.716 1.00 0.00 C ATOM 488 C CYS A 30 2.088 0.607 1.059 1.00 0.00 C ATOM 489 O CYS A 30 2.141 1.671 1.676 1.00 0.00 O ATOM 490 CB CYS A 30 -0.401 0.915 1.072 1.00 0.00 C ATOM 491 SG CYS A 30 -1.751 0.944 -0.154 1.00 0.00 S ATOM 0 H CYS A 30 -0.090 -1.301 2.168 1.00 0.00 H new ATOM 0 HA CYS A 30 0.724 -0.229 -0.356 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.810 0.627 2.040 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.003 1.924 1.182 1.00 0.00 H new ATOM 496 N ASN A 31 3.171 -0.048 0.650 1.00 0.00 N ATOM 497 CA ASN A 31 4.513 0.460 0.906 1.00 0.00 C ATOM 498 C ASN A 31 4.990 1.322 -0.257 1.00 0.00 C ATOM 499 O ASN A 31 4.496 1.196 -1.377 1.00 0.00 O ATOM 500 CB ASN A 31 5.486 -0.699 1.132 1.00 0.00 C ATOM 501 CG ASN A 31 6.824 -0.234 1.672 1.00 0.00 C ATOM 502 OD1 ASN A 31 7.091 -0.334 2.871 1.00 0.00 O ATOM 503 ND2 ASN A 31 7.674 0.277 0.789 1.00 0.00 N ATOM 0 H ASN A 31 3.144 -0.931 0.140 1.00 0.00 H new ATOM 0 HA ASN A 31 4.481 1.075 1.806 1.00 0.00 H new ATOM 0 HB2 ASN A 31 5.043 -1.411 1.829 1.00 0.00 H new ATOM 0 HB3 ASN A 31 5.641 -1.228 0.192 1.00 0.00 H new ATOM 0 HD21 ASN A 31 8.590 0.606 1.094 1.00 0.00 H new ATOM 0 HD22 ASN A 31 7.411 0.341 -0.194 1.00 0.00 H new ATOM 510 N PHE A 32 5.949 2.201 0.012 1.00 0.00 N ATOM 511 CA PHE A 32 6.483 3.081 -1.022 1.00 0.00 C ATOM 512 C PHE A 32 7.492 2.341 -1.891 1.00 0.00 C ATOM 513 O PHE A 32 8.284 1.538 -1.396 1.00 0.00 O ATOM 514 CB PHE A 32 7.142 4.322 -0.405 1.00 0.00 C ATOM 515 CG PHE A 32 6.585 4.732 0.934 1.00 0.00 C ATOM 516 CD1 PHE A 32 5.234 4.596 1.223 1.00 0.00 C ATOM 517 CD2 PHE A 32 7.422 5.256 1.905 1.00 0.00 C ATOM 518 CE1 PHE A 32 4.736 4.976 2.456 1.00 0.00 C ATOM 519 CE2 PHE A 32 6.928 5.637 3.137 1.00 0.00 C ATOM 520 CZ PHE A 32 5.583 5.497 3.414 1.00 0.00 C ATOM 0 H PHE A 32 6.371 2.323 0.932 1.00 0.00 H new ATOM 0 HA PHE A 32 5.648 3.403 -1.644 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.210 4.133 -0.296 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.035 5.156 -1.098 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.566 4.190 0.478 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.476 5.368 1.696 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.683 4.865 2.670 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.594 6.044 3.883 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.194 5.794 4.377 1.00 0.00 H new