USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 260 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 TYR N :NH3+ -144:sc= 0.0281 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0.325 X(o=0.33,f=0.23) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl -166:sc= -1.19 (180deg=-1.62) USER MOD Single : A 8 THR OG1 : rot 84:sc= 2.45 USER MOD Single : A 14 LYS NZ :NH3+ 165:sc= 0.483 (180deg=0.0958) USER MOD Single : A 26 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.63) USER MOD Single : A 30 ASN : amide:sc= -3.03 K(o=-3,f=-7.6!) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 7.682 10.162 2.860 1.00 0.00 N ATOM 2 CA TYR A 1 6.915 8.895 2.986 1.00 0.00 C ATOM 3 C TYR A 1 5.839 8.793 1.910 1.00 0.00 C ATOM 4 O TYR A 1 5.636 9.724 1.132 1.00 0.00 O ATOM 5 CB TYR A 1 6.277 8.849 4.376 1.00 0.00 C ATOM 6 CG TYR A 1 6.256 7.466 4.988 1.00 0.00 C ATOM 7 CD1 TYR A 1 7.400 6.922 5.560 1.00 0.00 C ATOM 8 CD2 TYR A 1 5.095 6.706 4.993 1.00 0.00 C ATOM 9 CE1 TYR A 1 7.385 5.659 6.120 1.00 0.00 C ATOM 10 CE2 TYR A 1 5.072 5.441 5.551 1.00 0.00 C ATOM 11 CZ TYR A 1 6.219 4.923 6.113 1.00 0.00 C ATOM 12 OH TYR A 1 6.200 3.664 6.669 1.00 0.00 O ATOM 0 H1 TYR A 1 8.678 9.991 3.106 1.00 0.00 H new ATOM 0 H2 TYR A 1 7.622 10.508 1.881 1.00 0.00 H new ATOM 0 H3 TYR A 1 7.284 10.875 3.504 1.00 0.00 H new ATOM 0 HA TYR A 1 7.592 8.051 2.854 1.00 0.00 H new ATOM 0 HB2 TYR A 1 6.821 9.522 5.039 1.00 0.00 H new ATOM 0 HB3 TYR A 1 5.255 9.223 4.310 1.00 0.00 H new ATOM 0 HD1 TYR A 1 8.315 7.496 5.567 1.00 0.00 H new ATOM 0 HD2 TYR A 1 4.194 7.109 4.554 1.00 0.00 H new ATOM 0 HE1 TYR A 1 8.282 5.250 6.561 1.00 0.00 H new ATOM 0 HE2 TYR A 1 4.160 4.862 5.546 1.00 0.00 H new ATOM 0 HH TYR A 1 5.302 3.282 6.582 1.00 0.00 H new ATOM 24 N CYS A 2 5.155 7.654 1.871 1.00 0.00 N ATOM 25 CA CYS A 2 4.100 7.422 0.889 1.00 0.00 C ATOM 26 C CYS A 2 4.670 7.358 -0.522 1.00 0.00 C ATOM 27 O CYS A 2 5.442 8.224 -0.935 1.00 0.00 O ATOM 28 CB CYS A 2 3.030 8.514 0.968 1.00 0.00 C ATOM 29 SG CYS A 2 1.626 8.257 -0.165 1.00 0.00 S ATOM 0 H CYS A 2 5.313 6.875 2.510 1.00 0.00 H new ATOM 0 HA CYS A 2 3.640 6.462 1.123 1.00 0.00 H new ATOM 0 HB2 CYS A 2 2.654 8.567 1.990 1.00 0.00 H new ATOM 0 HB3 CYS A 2 3.491 9.477 0.747 1.00 0.00 H new ATOM 34 N GLN A 3 4.278 6.326 -1.256 1.00 0.00 N ATOM 35 CA GLN A 3 4.737 6.133 -2.625 1.00 0.00 C ATOM 36 C GLN A 3 3.564 6.218 -3.593 1.00 0.00 C ATOM 37 O GLN A 3 3.400 7.207 -4.305 1.00 0.00 O ATOM 38 CB GLN A 3 5.439 4.778 -2.768 1.00 0.00 C ATOM 39 CG GLN A 3 6.952 4.885 -2.859 1.00 0.00 C ATOM 40 CD GLN A 3 7.539 3.970 -3.916 1.00 0.00 C ATOM 41 OE1 GLN A 3 7.135 4.004 -5.078 1.00 0.00 O ATOM 42 NE2 GLN A 3 8.499 3.144 -3.516 1.00 0.00 N ATOM 0 H GLN A 3 3.638 5.604 -0.923 1.00 0.00 H new ATOM 0 HA GLN A 3 5.449 6.923 -2.865 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.178 4.151 -1.916 1.00 0.00 H new ATOM 0 HB3 GLN A 3 5.064 4.276 -3.660 1.00 0.00 H new ATOM 0 HG2 GLN A 3 7.227 5.916 -3.083 1.00 0.00 H new ATOM 0 HG3 GLN A 3 7.389 4.642 -1.890 1.00 0.00 H new ATOM 0 HE21 GLN A 3 8.803 3.149 -2.543 1.00 0.00 H new ATOM 0 HE22 GLN A 3 8.932 2.504 -4.182 1.00 0.00 H new ATOM 51 N LYS A 4 2.745 5.171 -3.604 1.00 0.00 N ATOM 52 CA LYS A 4 1.575 5.115 -4.471 1.00 0.00 C ATOM 53 C LYS A 4 0.940 3.730 -4.428 1.00 0.00 C ATOM 54 O LYS A 4 1.635 2.715 -4.448 1.00 0.00 O ATOM 55 CB LYS A 4 1.945 5.482 -5.913 1.00 0.00 C ATOM 56 CG LYS A 4 1.359 6.808 -6.374 1.00 0.00 C ATOM 57 CD LYS A 4 -0.141 6.877 -6.126 1.00 0.00 C ATOM 58 CE LYS A 4 -0.467 7.706 -4.892 1.00 0.00 C ATOM 59 NZ LYS A 4 -0.958 9.065 -5.249 1.00 0.00 N ATOM 0 H LYS A 4 2.872 4.346 -3.018 1.00 0.00 H new ATOM 0 HA LYS A 4 0.851 5.843 -4.105 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.031 5.524 -6.001 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.601 4.691 -6.580 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.853 7.626 -5.849 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.559 6.944 -7.437 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.635 7.309 -6.996 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.537 5.869 -6.003 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.223 7.191 -4.298 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.423 7.794 -4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.169 9.597 -4.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.227 9.566 -5.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.822 8.983 -5.823 1.00 0.00 H new ATOM 73 N TRP A 5 -0.386 3.699 -4.365 1.00 0.00 N ATOM 74 CA TRP A 5 -1.127 2.444 -4.315 1.00 0.00 C ATOM 75 C TRP A 5 -0.700 1.505 -5.441 1.00 0.00 C ATOM 76 O TRP A 5 -0.379 1.948 -6.543 1.00 0.00 O ATOM 77 CB TRP A 5 -2.631 2.721 -4.404 1.00 0.00 C ATOM 78 CG TRP A 5 -3.471 1.481 -4.463 1.00 0.00 C ATOM 79 CD1 TRP A 5 -3.886 0.722 -3.409 1.00 0.00 C ATOM 80 CD2 TRP A 5 -3.999 0.858 -5.640 1.00 0.00 C ATOM 81 NE1 TRP A 5 -4.639 -0.337 -3.858 1.00 0.00 N ATOM 82 CE2 TRP A 5 -4.723 -0.274 -5.223 1.00 0.00 C ATOM 83 CE3 TRP A 5 -3.930 1.149 -7.006 1.00 0.00 C ATOM 84 CZ2 TRP A 5 -5.374 -1.115 -6.123 1.00 0.00 C ATOM 85 CZ3 TRP A 5 -4.576 0.314 -7.898 1.00 0.00 C ATOM 86 CH2 TRP A 5 -5.289 -0.807 -7.453 1.00 0.00 C ATOM 0 H TRP A 5 -0.973 4.533 -4.347 1.00 0.00 H new ATOM 0 HA TRP A 5 -0.905 1.956 -3.366 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -2.934 3.313 -3.540 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -2.828 3.325 -5.290 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -3.657 0.923 -2.373 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -5.066 -1.053 -3.270 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -3.382 2.011 -7.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -5.926 -1.979 -5.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -4.530 0.529 -8.955 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -5.782 -1.441 -8.175 1.00 0.00 H new ATOM 97 N MET A 6 -0.713 0.202 -5.151 1.00 0.00 N ATOM 98 CA MET A 6 -0.345 -0.828 -6.127 1.00 0.00 C ATOM 99 C MET A 6 1.164 -1.072 -6.169 1.00 0.00 C ATOM 100 O MET A 6 1.605 -2.217 -6.262 1.00 0.00 O ATOM 101 CB MET A 6 -0.851 -0.465 -7.527 1.00 0.00 C ATOM 102 CG MET A 6 -1.406 -1.651 -8.299 1.00 0.00 C ATOM 103 SD MET A 6 -0.121 -2.800 -8.825 1.00 0.00 S ATOM 104 CE MET A 6 -0.856 -4.366 -8.365 1.00 0.00 C ATOM 0 H MET A 6 -0.977 -0.168 -4.238 1.00 0.00 H new ATOM 0 HA MET A 6 -0.825 -1.751 -5.801 1.00 0.00 H new ATOM 0 HB2 MET A 6 -1.627 0.295 -7.438 1.00 0.00 H new ATOM 0 HB3 MET A 6 -0.034 -0.022 -8.096 1.00 0.00 H new ATOM 0 HG2 MET A 6 -2.128 -2.179 -7.676 1.00 0.00 H new ATOM 0 HG3 MET A 6 -1.945 -1.289 -9.175 1.00 0.00 H new ATOM 0 HE1 MET A 6 -0.096 -5.147 -8.393 1.00 0.00 H new ATOM 0 HE2 MET A 6 -1.265 -4.294 -7.357 1.00 0.00 H new ATOM 0 HE3 MET A 6 -1.655 -4.612 -9.064 1.00 0.00 H new ATOM 114 N TRP A 7 1.956 -0.003 -6.126 1.00 0.00 N ATOM 115 CA TRP A 7 3.405 -0.127 -6.186 1.00 0.00 C ATOM 116 C TRP A 7 3.945 -1.275 -5.322 1.00 0.00 C ATOM 117 O TRP A 7 3.255 -1.801 -4.449 1.00 0.00 O ATOM 118 CB TRP A 7 4.072 1.185 -5.789 1.00 0.00 C ATOM 119 CG TRP A 7 5.380 1.352 -6.469 1.00 0.00 C ATOM 120 CD1 TRP A 7 5.593 1.870 -7.705 1.00 0.00 C ATOM 121 CD2 TRP A 7 6.649 0.955 -5.965 1.00 0.00 C ATOM 122 NE1 TRP A 7 6.935 1.822 -8.007 1.00 0.00 N ATOM 123 CE2 TRP A 7 7.604 1.259 -6.948 1.00 0.00 C ATOM 124 CE3 TRP A 7 7.066 0.370 -4.770 1.00 0.00 C ATOM 125 CZ2 TRP A 7 8.958 0.989 -6.771 1.00 0.00 C ATOM 126 CZ3 TRP A 7 8.405 0.101 -4.594 1.00 0.00 C ATOM 127 CH2 TRP A 7 9.338 0.408 -5.589 1.00 0.00 C ATOM 0 H TRP A 7 1.617 0.956 -6.050 1.00 0.00 H new ATOM 0 HA TRP A 7 3.652 -0.364 -7.221 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.418 2.019 -6.043 1.00 0.00 H new ATOM 0 HB3 TRP A 7 4.215 1.210 -4.709 1.00 0.00 H new ATOM 0 HD1 TRP A 7 4.824 2.261 -8.355 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.362 2.150 -8.873 1.00 0.00 H new ATOM 0 HE3 TRP A 7 6.351 0.132 -3.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 9.682 1.228 -7.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 8.740 -0.354 -3.673 1.00 0.00 H new ATOM 0 HH2 TRP A 7 10.381 0.182 -5.423 1.00 0.00 H new ATOM 138 N THR A 8 5.188 -1.660 -5.612 1.00 0.00 N ATOM 139 CA THR A 8 5.875 -2.754 -4.922 1.00 0.00 C ATOM 140 C THR A 8 5.785 -2.670 -3.396 1.00 0.00 C ATOM 141 O THR A 8 5.860 -1.592 -2.810 1.00 0.00 O ATOM 142 CB THR A 8 7.349 -2.781 -5.341 1.00 0.00 C ATOM 143 OG1 THR A 8 7.587 -1.882 -6.409 1.00 0.00 O ATOM 144 CG2 THR A 8 7.818 -4.150 -5.783 1.00 0.00 C ATOM 0 H THR A 8 5.752 -1.218 -6.338 1.00 0.00 H new ATOM 0 HA THR A 8 5.367 -3.672 -5.217 1.00 0.00 H new ATOM 0 HB THR A 8 7.906 -2.490 -4.451 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.733 -0.981 -6.052 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.869 -4.100 -6.066 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.696 -4.858 -4.964 1.00 0.00 H new ATOM 0 HG23 THR A 8 7.227 -4.479 -6.638 1.00 0.00 H new ATOM 152 N CYS A 9 5.661 -3.840 -2.763 1.00 0.00 N ATOM 153 CA CYS A 9 5.604 -3.940 -1.305 1.00 0.00 C ATOM 154 C CYS A 9 6.652 -4.938 -0.822 1.00 0.00 C ATOM 155 O CYS A 9 6.819 -6.004 -1.415 1.00 0.00 O ATOM 156 CB CYS A 9 4.204 -4.363 -0.838 1.00 0.00 C ATOM 157 SG CYS A 9 4.102 -4.880 0.914 1.00 0.00 S ATOM 0 H CYS A 9 5.598 -4.737 -3.244 1.00 0.00 H new ATOM 0 HA CYS A 9 5.816 -2.960 -0.877 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.517 -3.532 -0.997 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.860 -5.185 -1.465 1.00 0.00 H new ATOM 162 N ASP A 10 7.368 -4.590 0.244 1.00 0.00 N ATOM 163 CA ASP A 10 8.406 -5.470 0.771 1.00 0.00 C ATOM 164 C ASP A 10 8.553 -5.318 2.285 1.00 0.00 C ATOM 165 O ASP A 10 7.637 -4.850 2.962 1.00 0.00 O ATOM 166 CB ASP A 10 9.739 -5.176 0.078 1.00 0.00 C ATOM 167 CG ASP A 10 10.509 -6.438 -0.254 1.00 0.00 C ATOM 168 OD1 ASP A 10 10.591 -7.330 0.616 1.00 0.00 O ATOM 169 OD2 ASP A 10 11.031 -6.536 -1.384 1.00 0.00 O ATOM 0 H ASP A 10 7.250 -3.715 0.755 1.00 0.00 H new ATOM 0 HA ASP A 10 8.112 -6.500 0.568 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.553 -4.616 -0.838 1.00 0.00 H new ATOM 0 HB3 ASP A 10 10.348 -4.541 0.722 1.00 0.00 H new ATOM 174 N GLU A 11 9.710 -5.722 2.809 1.00 0.00 N ATOM 175 CA GLU A 11 9.978 -5.636 4.241 1.00 0.00 C ATOM 176 C GLU A 11 9.653 -4.247 4.777 1.00 0.00 C ATOM 177 O GLU A 11 8.951 -4.108 5.778 1.00 0.00 O ATOM 178 CB GLU A 11 11.442 -5.977 4.527 1.00 0.00 C ATOM 179 CG GLU A 11 11.767 -7.452 4.370 1.00 0.00 C ATOM 180 CD GLU A 11 11.724 -8.203 5.686 1.00 0.00 C ATOM 181 OE1 GLU A 11 10.750 -8.015 6.446 1.00 0.00 O ATOM 182 OE2 GLU A 11 12.666 -8.976 5.959 1.00 0.00 O ATOM 0 H GLU A 11 10.477 -6.112 2.261 1.00 0.00 H new ATOM 0 HA GLU A 11 9.337 -6.357 4.748 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.078 -5.400 3.855 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.687 -5.666 5.543 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.059 -7.904 3.675 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.758 -7.557 3.929 1.00 0.00 H new ATOM 189 N GLU A 12 10.159 -3.218 4.103 1.00 0.00 N ATOM 190 CA GLU A 12 9.906 -1.847 4.523 1.00 0.00 C ATOM 191 C GLU A 12 9.468 -0.983 3.345 1.00 0.00 C ATOM 192 O GLU A 12 10.294 -0.501 2.569 1.00 0.00 O ATOM 193 CB GLU A 12 11.158 -1.251 5.169 1.00 0.00 C ATOM 194 CG GLU A 12 11.807 -2.166 6.194 1.00 0.00 C ATOM 195 CD GLU A 12 12.939 -2.987 5.607 1.00 0.00 C ATOM 196 OE1 GLU A 12 12.859 -3.337 4.411 1.00 0.00 O ATOM 197 OE2 GLU A 12 13.903 -3.281 6.344 1.00 0.00 O ATOM 0 H GLU A 12 10.742 -3.308 3.271 1.00 0.00 H new ATOM 0 HA GLU A 12 9.098 -1.864 5.255 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.884 -1.020 4.390 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.895 -0.309 5.650 1.00 0.00 H new ATOM 0 HG2 GLU A 12 12.188 -1.567 7.021 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.053 -2.836 6.607 1.00 0.00 H new ATOM 204 N ARG A 13 8.160 -0.789 3.228 1.00 0.00 N ATOM 205 CA ARG A 13 7.583 0.011 2.167 1.00 0.00 C ATOM 206 C ARG A 13 7.306 1.433 2.644 1.00 0.00 C ATOM 207 O ARG A 13 7.367 1.722 3.839 1.00 0.00 O ATOM 208 CB ARG A 13 6.283 -0.637 1.711 1.00 0.00 C ATOM 209 CG ARG A 13 6.128 -0.699 0.210 1.00 0.00 C ATOM 210 CD ARG A 13 4.669 -0.897 -0.176 1.00 0.00 C ATOM 211 NE ARG A 13 4.282 -0.133 -1.361 1.00 0.00 N ATOM 212 CZ ARG A 13 4.338 1.193 -1.445 1.00 0.00 C ATOM 213 NH1 ARG A 13 4.802 1.915 -0.436 1.00 0.00 N ATOM 214 NH2 ARG A 13 3.906 1.800 -2.536 1.00 0.00 N ATOM 0 H ARG A 13 7.473 -1.185 3.870 1.00 0.00 H new ATOM 0 HA ARG A 13 8.290 0.062 1.339 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.231 -1.648 2.115 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.444 -0.082 2.131 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.505 0.221 -0.237 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.728 -1.517 -0.188 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.488 -1.956 -0.358 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.035 -0.605 0.661 1.00 0.00 H new ATOM 0 HE ARG A 13 3.948 -0.650 -2.175 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.121 1.454 0.416 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.840 2.931 -0.511 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.531 1.252 -3.310 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.947 2.817 -2.604 1.00 0.00 H new ATOM 228 N LYS A 14 6.988 2.311 1.702 1.00 0.00 N ATOM 229 CA LYS A 14 6.684 3.700 2.019 1.00 0.00 C ATOM 230 C LYS A 14 5.297 4.068 1.513 1.00 0.00 C ATOM 231 O LYS A 14 5.148 4.945 0.665 1.00 0.00 O ATOM 232 CB LYS A 14 7.737 4.630 1.410 1.00 0.00 C ATOM 233 CG LYS A 14 9.124 4.459 2.011 1.00 0.00 C ATOM 234 CD LYS A 14 9.064 4.296 3.521 1.00 0.00 C ATOM 235 CE LYS A 14 10.309 4.853 4.193 1.00 0.00 C ATOM 236 NZ LYS A 14 10.352 6.341 4.137 1.00 0.00 N ATOM 0 H LYS A 14 6.934 2.085 0.709 1.00 0.00 H new ATOM 0 HA LYS A 14 6.701 3.819 3.102 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.791 4.450 0.336 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.417 5.663 1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.607 3.588 1.569 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.738 5.324 1.762 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.182 4.806 3.908 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.957 3.240 3.770 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.336 4.528 5.233 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.196 4.446 3.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.062 6.693 4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.606 6.645 3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.418 6.725 4.386 1.00 0.00 H new ATOM 250 N CYS A 15 4.283 3.389 2.041 1.00 0.00 N ATOM 251 CA CYS A 15 2.901 3.646 1.645 1.00 0.00 C ATOM 252 C CYS A 15 2.348 4.846 2.405 1.00 0.00 C ATOM 253 O CYS A 15 2.933 5.287 3.394 1.00 0.00 O ATOM 254 CB CYS A 15 2.019 2.424 1.924 1.00 0.00 C ATOM 255 SG CYS A 15 2.124 1.102 0.674 1.00 0.00 S ATOM 0 H CYS A 15 4.391 2.657 2.743 1.00 0.00 H new ATOM 0 HA CYS A 15 2.892 3.855 0.575 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.293 2.010 2.894 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.982 2.752 1.999 1.00 0.00 H new ATOM 260 N CYS A 16 1.217 5.370 1.946 1.00 0.00 N ATOM 261 CA CYS A 16 0.595 6.514 2.600 1.00 0.00 C ATOM 262 C CYS A 16 0.003 6.109 3.948 1.00 0.00 C ATOM 263 O CYS A 16 0.017 4.933 4.317 1.00 0.00 O ATOM 264 CB CYS A 16 -0.483 7.122 1.703 1.00 0.00 C ATOM 265 SG CYS A 16 -0.006 8.715 0.956 1.00 0.00 S ATOM 0 H CYS A 16 0.715 5.023 1.129 1.00 0.00 H new ATOM 0 HA CYS A 16 1.363 7.267 2.776 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.722 6.416 0.908 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.392 7.263 2.288 1.00 0.00 H new ATOM 270 N GLU A 17 -0.505 7.091 4.683 1.00 0.00 N ATOM 271 CA GLU A 17 -1.089 6.846 5.999 1.00 0.00 C ATOM 272 C GLU A 17 -2.323 5.948 5.922 1.00 0.00 C ATOM 273 O GLU A 17 -2.782 5.431 6.940 1.00 0.00 O ATOM 274 CB GLU A 17 -1.455 8.173 6.666 1.00 0.00 C ATOM 275 CG GLU A 17 -2.005 8.013 8.075 1.00 0.00 C ATOM 276 CD GLU A 17 -1.745 9.228 8.943 1.00 0.00 C ATOM 277 OE1 GLU A 17 -0.718 9.905 8.724 1.00 0.00 O ATOM 278 OE2 GLU A 17 -2.566 9.503 9.842 1.00 0.00 O ATOM 0 H GLU A 17 -0.525 8.068 4.390 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.339 6.327 6.596 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.571 8.809 6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.195 8.687 6.052 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.078 7.831 8.024 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.555 7.136 8.540 1.00 0.00 H new ATOM 285 N GLY A 18 -2.867 5.769 4.721 1.00 0.00 N ATOM 286 CA GLY A 18 -4.048 4.937 4.567 1.00 0.00 C ATOM 287 C GLY A 18 -3.872 3.836 3.537 1.00 0.00 C ATOM 288 O GLY A 18 -4.616 3.773 2.559 1.00 0.00 O ATOM 0 H GLY A 18 -2.514 6.182 3.858 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.298 4.489 5.529 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.892 5.564 4.279 1.00 0.00 H new ATOM 292 N LEU A 19 -2.894 2.963 3.757 1.00 0.00 N ATOM 293 CA LEU A 19 -2.636 1.859 2.837 1.00 0.00 C ATOM 294 C LEU A 19 -1.916 0.711 3.543 1.00 0.00 C ATOM 295 O LEU A 19 -1.087 0.934 4.426 1.00 0.00 O ATOM 296 CB LEU A 19 -1.800 2.338 1.647 1.00 0.00 C ATOM 297 CG LEU A 19 -2.430 3.451 0.805 1.00 0.00 C ATOM 298 CD1 LEU A 19 -1.435 3.971 -0.220 1.00 0.00 C ATOM 299 CD2 LEU A 19 -3.692 2.953 0.117 1.00 0.00 C ATOM 0 H LEU A 19 -2.268 2.998 4.562 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.598 1.495 2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.837 2.688 2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.600 1.485 0.999 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.702 4.271 1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.900 4.761 -0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.559 4.368 0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.132 3.157 -0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.125 3.758 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.445 2.115 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.412 2.628 0.868 1.00 0.00 H new ATOM 311 N VAL A 20 -2.234 -0.517 3.140 1.00 0.00 N ATOM 312 CA VAL A 20 -1.615 -1.704 3.725 1.00 0.00 C ATOM 313 C VAL A 20 -0.513 -2.238 2.814 1.00 0.00 C ATOM 314 O VAL A 20 -0.433 -1.862 1.645 1.00 0.00 O ATOM 315 CB VAL A 20 -2.654 -2.818 3.969 1.00 0.00 C ATOM 316 CG1 VAL A 20 -2.083 -3.893 4.880 1.00 0.00 C ATOM 317 CG2 VAL A 20 -3.933 -2.241 4.555 1.00 0.00 C ATOM 0 H VAL A 20 -2.918 -0.716 2.410 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.187 -1.408 4.683 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.895 -3.276 3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.831 -4.669 5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.199 -4.331 4.417 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.809 -3.450 5.838 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.652 -3.043 4.719 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.711 -1.753 5.504 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.354 -1.512 3.862 1.00 0.00 H new ATOM 327 N CYS A 21 0.342 -3.109 3.348 1.00 0.00 N ATOM 328 CA CYS A 21 1.434 -3.670 2.560 1.00 0.00 C ATOM 329 C CYS A 21 1.317 -5.184 2.414 1.00 0.00 C ATOM 330 O CYS A 21 1.361 -5.927 3.395 1.00 0.00 O ATOM 331 CB CYS A 21 2.786 -3.320 3.180 1.00 0.00 C ATOM 332 SG CYS A 21 4.130 -3.138 1.960 1.00 0.00 S ATOM 0 H CYS A 21 0.300 -3.438 4.313 1.00 0.00 H new ATOM 0 HA CYS A 21 1.364 -3.227 1.566 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.688 -2.390 3.741 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.059 -4.096 3.895 1.00 0.00 H new ATOM 337 N ARG A 22 1.187 -5.621 1.171 1.00 0.00 N ATOM 338 CA ARG A 22 1.084 -7.026 0.835 1.00 0.00 C ATOM 339 C ARG A 22 1.197 -7.183 -0.674 1.00 0.00 C ATOM 340 O ARG A 22 0.229 -6.953 -1.398 1.00 0.00 O ATOM 341 CB ARG A 22 -0.238 -7.595 1.323 1.00 0.00 C ATOM 342 CG ARG A 22 -0.307 -9.091 1.154 1.00 0.00 C ATOM 343 CD ARG A 22 -1.268 -9.726 2.145 1.00 0.00 C ATOM 344 NE ARG A 22 -2.141 -10.710 1.510 1.00 0.00 N ATOM 345 CZ ARG A 22 -3.085 -10.401 0.624 1.00 0.00 C ATOM 346 NH1 ARG A 22 -3.283 -9.137 0.268 1.00 0.00 N ATOM 347 NH2 ARG A 22 -3.836 -11.357 0.094 1.00 0.00 N ATOM 0 H ARG A 22 1.150 -5.001 0.362 1.00 0.00 H new ATOM 0 HA ARG A 22 1.890 -7.574 1.323 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.375 -7.343 2.374 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.057 -7.130 0.774 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.623 -9.328 0.138 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.687 -9.518 1.287 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.701 -10.206 2.942 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.875 -8.949 2.609 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.020 -11.691 1.760 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.710 -8.397 0.674 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.008 -8.906 -0.411 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.690 -12.329 0.365 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.559 -11.120 -0.585 1.00 0.00 H new ATOM 361 N LEU A 23 2.390 -7.541 -1.147 1.00 0.00 N ATOM 362 CA LEU A 23 2.639 -7.685 -2.579 1.00 0.00 C ATOM 363 C LEU A 23 2.618 -6.312 -3.250 1.00 0.00 C ATOM 364 O LEU A 23 3.592 -5.899 -3.880 1.00 0.00 O ATOM 365 CB LEU A 23 1.608 -8.617 -3.228 1.00 0.00 C ATOM 366 CG LEU A 23 2.106 -10.033 -3.522 1.00 0.00 C ATOM 367 CD1 LEU A 23 1.057 -10.820 -4.290 1.00 0.00 C ATOM 368 CD2 LEU A 23 3.415 -9.988 -4.298 1.00 0.00 C ATOM 0 H LEU A 23 3.199 -7.737 -0.558 1.00 0.00 H new ATOM 0 HA LEU A 23 3.624 -8.133 -2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.739 -8.683 -2.574 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.271 -8.166 -4.161 1.00 0.00 H new ATOM 0 HG LEU A 23 2.286 -10.538 -2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.430 -11.825 -4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.144 -10.883 -3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.844 -10.318 -5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.754 -11.004 -4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.261 -9.464 -5.241 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.168 -9.463 -3.711 1.00 0.00 H new ATOM 380 N TRP A 24 1.504 -5.604 -3.087 1.00 0.00 N ATOM 381 CA TRP A 24 1.342 -4.269 -3.647 1.00 0.00 C ATOM 382 C TRP A 24 0.625 -3.371 -2.639 1.00 0.00 C ATOM 383 O TRP A 24 -0.269 -3.827 -1.925 1.00 0.00 O ATOM 384 CB TRP A 24 0.544 -4.330 -4.952 1.00 0.00 C ATOM 385 CG TRP A 24 -0.574 -5.328 -4.924 1.00 0.00 C ATOM 386 CD1 TRP A 24 -1.698 -5.279 -4.152 1.00 0.00 C ATOM 387 CD2 TRP A 24 -0.674 -6.527 -5.703 1.00 0.00 C ATOM 388 NE1 TRP A 24 -2.492 -6.372 -4.403 1.00 0.00 N ATOM 389 CE2 TRP A 24 -1.884 -7.153 -5.351 1.00 0.00 C ATOM 390 CE3 TRP A 24 0.143 -7.129 -6.664 1.00 0.00 C ATOM 391 CZ2 TRP A 24 -2.297 -8.352 -5.927 1.00 0.00 C ATOM 392 CZ3 TRP A 24 -0.269 -8.320 -7.234 1.00 0.00 C ATOM 393 CH2 TRP A 24 -1.479 -8.919 -6.864 1.00 0.00 C ATOM 0 H TRP A 24 0.693 -5.938 -2.566 1.00 0.00 H new ATOM 0 HA TRP A 24 2.327 -3.856 -3.862 1.00 0.00 H new ATOM 0 HB2 TRP A 24 0.134 -3.343 -5.164 1.00 0.00 H new ATOM 0 HB3 TRP A 24 1.220 -4.577 -5.771 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -1.930 -4.495 -3.446 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -3.388 -6.570 -3.957 1.00 0.00 H new ATOM 0 HE3 TRP A 24 1.078 -6.673 -6.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.230 -8.817 -5.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 0.353 -8.796 -7.977 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.772 -9.849 -7.329 1.00 0.00 H new ATOM 404 N CYS A 25 1.018 -2.099 -2.574 1.00 0.00 N ATOM 405 CA CYS A 25 0.400 -1.156 -1.638 1.00 0.00 C ATOM 406 C CYS A 25 -1.122 -1.263 -1.682 1.00 0.00 C ATOM 407 O CYS A 25 -1.762 -0.777 -2.614 1.00 0.00 O ATOM 408 CB CYS A 25 0.830 0.281 -1.953 1.00 0.00 C ATOM 409 SG CYS A 25 0.567 1.457 -0.582 1.00 0.00 S ATOM 0 H CYS A 25 1.756 -1.699 -3.153 1.00 0.00 H new ATOM 0 HA CYS A 25 0.739 -1.413 -0.634 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.887 0.282 -2.220 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.280 0.630 -2.827 1.00 0.00 H new ATOM 414 N LYS A 26 -1.693 -1.909 -0.670 1.00 0.00 N ATOM 415 CA LYS A 26 -3.138 -2.089 -0.593 1.00 0.00 C ATOM 416 C LYS A 26 -3.855 -0.746 -0.508 1.00 0.00 C ATOM 417 O LYS A 26 -3.230 0.290 -0.285 1.00 0.00 O ATOM 418 CB LYS A 26 -3.500 -2.953 0.618 1.00 0.00 C ATOM 419 CG LYS A 26 -4.569 -3.993 0.324 1.00 0.00 C ATOM 420 CD LYS A 26 -5.306 -4.407 1.587 1.00 0.00 C ATOM 421 CE LYS A 26 -6.127 -3.259 2.154 1.00 0.00 C ATOM 422 NZ LYS A 26 -7.087 -3.722 3.193 1.00 0.00 N ATOM 0 H LYS A 26 -1.176 -2.317 0.109 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.464 -2.593 -1.503 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.602 -3.457 0.976 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.845 -2.307 1.425 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.280 -3.591 -0.398 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.110 -4.869 -0.134 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.961 -5.251 1.368 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.588 -4.746 2.334 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.459 -2.513 2.584 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.673 -2.770 1.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.972 -3.182 3.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.286 -4.734 3.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.675 -3.575 4.137 1.00 0.00 H new ATOM 436 N ARG A 27 -5.172 -0.774 -0.685 1.00 0.00 N ATOM 437 CA ARG A 27 -5.979 0.440 -0.628 1.00 0.00 C ATOM 438 C ARG A 27 -6.711 0.544 0.706 1.00 0.00 C ATOM 439 O ARG A 27 -6.552 -0.306 1.581 1.00 0.00 O ATOM 440 CB ARG A 27 -6.986 0.472 -1.783 1.00 0.00 C ATOM 441 CG ARG A 27 -7.584 -0.885 -2.119 1.00 0.00 C ATOM 442 CD ARG A 27 -8.245 -1.518 -0.906 1.00 0.00 C ATOM 443 NE ARG A 27 -9.125 -2.623 -1.277 1.00 0.00 N ATOM 444 CZ ARG A 27 -9.676 -3.459 -0.399 1.00 0.00 C ATOM 445 NH1 ARG A 27 -9.438 -3.320 0.900 1.00 0.00 N ATOM 446 NH2 ARG A 27 -10.465 -4.439 -0.820 1.00 0.00 N ATOM 0 H ARG A 27 -5.704 -1.625 -0.869 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.308 1.294 -0.722 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.792 1.160 -1.530 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.494 0.870 -2.670 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.318 -0.773 -2.917 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.802 -1.545 -2.495 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.477 -1.880 -0.222 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.819 -0.762 -0.370 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.330 -2.763 -2.266 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.830 -2.570 1.230 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.863 -3.963 1.568 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.650 -4.552 -1.817 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.887 -5.079 -0.147 1.00 0.00 H new ATOM 460 N ILE A 28 -7.512 1.596 0.857 1.00 0.00 N ATOM 461 CA ILE A 28 -8.268 1.818 2.086 1.00 0.00 C ATOM 462 C ILE A 28 -9.063 0.577 2.483 1.00 0.00 C ATOM 463 O ILE A 28 -9.030 -0.442 1.794 1.00 0.00 O ATOM 464 CB ILE A 28 -9.237 3.008 1.945 1.00 0.00 C ATOM 465 CG1 ILE A 28 -10.103 2.852 0.693 1.00 0.00 C ATOM 466 CG2 ILE A 28 -8.461 4.317 1.898 1.00 0.00 C ATOM 467 CD1 ILE A 28 -11.215 1.838 0.850 1.00 0.00 C ATOM 0 H ILE A 28 -7.654 2.309 0.142 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.538 2.041 2.864 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.894 3.024 2.814 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.537 3.819 0.439 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.469 2.557 -0.143 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -9.157 5.149 1.798 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.887 4.433 2.817 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.783 4.307 1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.788 1.780 -0.076 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.787 0.861 1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.872 2.142 1.665 1.00 0.00 H new ATOM 479 N ILE A 29 -9.775 0.669 3.602 1.00 0.00 N ATOM 480 CA ILE A 29 -10.577 -0.443 4.094 1.00 0.00 C ATOM 481 C ILE A 29 -12.064 -0.105 4.048 1.00 0.00 C ATOM 482 O ILE A 29 -12.444 1.022 3.727 1.00 0.00 O ATOM 483 CB ILE A 29 -10.195 -0.836 5.542 1.00 0.00 C ATOM 484 CG1 ILE A 29 -9.381 0.271 6.222 1.00 0.00 C ATOM 485 CG2 ILE A 29 -9.418 -2.145 5.548 1.00 0.00 C ATOM 486 CD1 ILE A 29 -10.194 1.504 6.552 1.00 0.00 C ATOM 0 H ILE A 29 -9.812 1.505 4.185 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.372 -1.289 3.438 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.117 -0.971 6.108 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.944 -0.122 7.140 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.554 0.555 5.571 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.156 -2.408 6.573 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.033 -2.935 5.116 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.508 -2.031 4.959 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.554 2.245 7.031 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.609 1.922 5.635 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.005 1.235 7.228 1.00 0.00 H new ATOM 498 N ASN A 30 -12.900 -1.091 4.370 1.00 0.00 N ATOM 499 CA ASN A 30 -14.351 -0.911 4.369 1.00 0.00 C ATOM 500 C ASN A 30 -14.822 -0.184 3.110 1.00 0.00 C ATOM 501 O ASN A 30 -14.057 -0.008 2.160 1.00 0.00 O ATOM 502 CB ASN A 30 -14.794 -0.145 5.620 1.00 0.00 C ATOM 503 CG ASN A 30 -14.348 1.304 5.613 1.00 0.00 C ATOM 504 OD1 ASN A 30 -14.734 2.079 4.739 1.00 0.00 O ATOM 505 ND2 ASN A 30 -13.529 1.676 6.590 1.00 0.00 N ATOM 0 H ASN A 30 -12.595 -2.027 4.636 1.00 0.00 H new ATOM 0 HA ASN A 30 -14.809 -1.900 4.377 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -15.880 -0.185 5.699 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.392 -0.639 6.504 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.195 2.638 6.636 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.235 0.999 7.294 1.00 0.00 H new ATOM 512 N MET A 31 -16.083 0.234 3.108 1.00 0.00 N ATOM 513 CA MET A 31 -16.653 0.940 1.967 1.00 0.00 C ATOM 514 C MET A 31 -18.075 1.404 2.268 1.00 0.00 C ATOM 515 O MET A 31 -18.784 1.792 1.316 1.00 0.00 O ATOM 516 CB MET A 31 -16.651 0.039 0.731 1.00 0.00 C ATOM 517 CG MET A 31 -17.229 -1.344 0.984 1.00 0.00 C ATOM 518 SD MET A 31 -18.951 -1.483 0.468 1.00 0.00 S ATOM 519 CE MET A 31 -19.240 -3.233 0.716 1.00 0.00 C ATOM 520 OXT MET A 31 -18.466 1.376 3.453 1.00 0.00 O ATOM 0 H MET A 31 -16.730 0.096 3.884 1.00 0.00 H new ATOM 0 HA MET A 31 -16.037 1.818 1.771 1.00 0.00 H new ATOM 0 HB2 MET A 31 -17.222 0.523 -0.062 1.00 0.00 H new ATOM 0 HB3 MET A 31 -15.628 -0.065 0.369 1.00 0.00 H new ATOM 0 HG2 MET A 31 -16.633 -2.085 0.451 1.00 0.00 H new ATOM 0 HG3 MET A 31 -17.152 -1.577 2.046 1.00 0.00 H new ATOM 0 HE1 MET A 31 -20.266 -3.475 0.439 1.00 0.00 H new ATOM 0 HE2 MET A 31 -18.552 -3.807 0.095 1.00 0.00 H new ATOM 0 HE3 MET A 31 -19.078 -3.484 1.764 1.00 0.00 H new TER 530 MET A 31