USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=5 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 Set 1.1: A 1 TYR OH : rot 180:sc= 0.867 USER MOD Set 1.2: A 14 LYS NZ :NH3+ 169:sc= 1.77 (180deg=0.401) USER MOD Single : A 1 TYR N :NH3+ 129:sc= 0.0612 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -1.49! C(o=-1.5!,f=-3.7!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl -103:sc= -3.82! (180deg=-8.72!) USER MOD Single : A 8 THR OG1 : rot 70:sc= 2.14 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.17 K(o=-0.17,f=-0.68) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 7.704 10.586 1.257 1.00 0.00 N ATOM 2 CA TYR A 1 7.447 9.121 1.230 1.00 0.00 C ATOM 3 C TYR A 1 6.139 8.805 0.511 1.00 0.00 C ATOM 4 O TYR A 1 5.522 9.684 -0.090 1.00 0.00 O ATOM 5 CB TYR A 1 7.390 8.611 2.674 1.00 0.00 C ATOM 6 CG TYR A 1 8.687 8.006 3.172 1.00 0.00 C ATOM 7 CD1 TYR A 1 9.523 7.291 2.322 1.00 0.00 C ATOM 8 CD2 TYR A 1 9.070 8.148 4.501 1.00 0.00 C ATOM 9 CE1 TYR A 1 10.703 6.737 2.782 1.00 0.00 C ATOM 10 CE2 TYR A 1 10.248 7.596 4.966 1.00 0.00 C ATOM 11 CZ TYR A 1 11.060 6.892 4.104 1.00 0.00 C ATOM 12 OH TYR A 1 12.234 6.342 4.565 1.00 0.00 O ATOM 0 H1 TYR A 1 7.914 10.884 2.231 1.00 0.00 H new ATOM 0 H2 TYR A 1 8.515 10.808 0.645 1.00 0.00 H new ATOM 0 H3 TYR A 1 6.863 11.092 0.914 1.00 0.00 H new ATOM 0 HA TYR A 1 8.251 8.626 0.685 1.00 0.00 H new ATOM 0 HB2 TYR A 1 7.113 9.438 3.328 1.00 0.00 H new ATOM 0 HB3 TYR A 1 6.600 7.864 2.752 1.00 0.00 H new ATOM 0 HD1 TYR A 1 9.246 7.166 1.286 1.00 0.00 H new ATOM 0 HD2 TYR A 1 8.437 8.699 5.181 1.00 0.00 H new ATOM 0 HE1 TYR A 1 11.342 6.185 2.109 1.00 0.00 H new ATOM 0 HE2 TYR A 1 10.531 7.716 6.001 1.00 0.00 H new ATOM 0 HH TYR A 1 12.338 6.544 5.518 1.00 0.00 H new ATOM 24 N CYS A 2 5.720 7.543 0.579 1.00 0.00 N ATOM 25 CA CYS A 2 4.481 7.106 -0.063 1.00 0.00 C ATOM 26 C CYS A 2 4.645 7.009 -1.577 1.00 0.00 C ATOM 27 O CYS A 2 4.639 8.024 -2.275 1.00 0.00 O ATOM 28 CB CYS A 2 3.324 8.062 0.257 1.00 0.00 C ATOM 29 SG CYS A 2 3.320 8.721 1.956 1.00 0.00 S ATOM 0 H CYS A 2 6.221 6.804 1.073 1.00 0.00 H new ATOM 0 HA CYS A 2 4.250 6.118 0.334 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.359 8.898 -0.441 1.00 0.00 H new ATOM 0 HB3 CYS A 2 2.383 7.541 0.083 1.00 0.00 H new ATOM 34 N GLN A 3 4.771 5.784 -2.086 1.00 0.00 N ATOM 35 CA GLN A 3 4.912 5.568 -3.519 1.00 0.00 C ATOM 36 C GLN A 3 3.733 6.195 -4.250 1.00 0.00 C ATOM 37 O GLN A 3 3.910 6.941 -5.212 1.00 0.00 O ATOM 38 CB GLN A 3 4.984 4.073 -3.830 1.00 0.00 C ATOM 39 CG GLN A 3 5.945 3.745 -4.954 1.00 0.00 C ATOM 40 CD GLN A 3 5.239 3.457 -6.265 1.00 0.00 C ATOM 41 OE1 GLN A 3 4.241 4.095 -6.598 1.00 0.00 O ATOM 42 NE2 GLN A 3 5.757 2.491 -7.015 1.00 0.00 N ATOM 0 H GLN A 3 4.778 4.931 -1.527 1.00 0.00 H new ATOM 0 HA GLN A 3 5.837 6.037 -3.856 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.288 3.535 -2.932 1.00 0.00 H new ATOM 0 HB3 GLN A 3 3.989 3.715 -4.095 1.00 0.00 H new ATOM 0 HG2 GLN A 3 6.633 4.579 -5.093 1.00 0.00 H new ATOM 0 HG3 GLN A 3 6.545 2.880 -4.672 1.00 0.00 H new ATOM 0 HE21 GLN A 3 6.586 1.989 -6.698 1.00 0.00 H new ATOM 0 HE22 GLN A 3 5.326 2.252 -7.908 1.00 0.00 H new ATOM 51 N LYS A 4 2.536 5.884 -3.749 1.00 0.00 N ATOM 52 CA LYS A 4 1.266 6.393 -4.281 1.00 0.00 C ATOM 53 C LYS A 4 0.272 5.259 -4.496 1.00 0.00 C ATOM 54 O LYS A 4 -0.127 4.968 -5.623 1.00 0.00 O ATOM 55 CB LYS A 4 1.445 7.189 -5.583 1.00 0.00 C ATOM 56 CG LYS A 4 0.144 7.753 -6.151 1.00 0.00 C ATOM 57 CD LYS A 4 -0.858 8.129 -5.061 1.00 0.00 C ATOM 58 CE LYS A 4 -0.247 9.044 -4.008 1.00 0.00 C ATOM 59 NZ LYS A 4 -0.616 10.469 -4.228 1.00 0.00 N ATOM 0 H LYS A 4 2.418 5.262 -2.950 1.00 0.00 H new ATOM 0 HA LYS A 4 0.872 7.079 -3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.137 8.012 -5.402 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.906 6.544 -6.331 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.367 8.633 -6.754 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.307 7.017 -6.816 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.717 8.623 -5.515 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.228 7.223 -4.582 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.580 8.732 -3.018 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.838 8.943 -4.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.180 11.058 -3.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.276 10.775 -5.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.650 10.570 -4.186 1.00 0.00 H new ATOM 73 N TRP A 5 -0.135 4.639 -3.396 1.00 0.00 N ATOM 74 CA TRP A 5 -1.099 3.545 -3.432 1.00 0.00 C ATOM 75 C TRP A 5 -0.606 2.375 -4.280 1.00 0.00 C ATOM 76 O TRP A 5 0.075 2.558 -5.290 1.00 0.00 O ATOM 77 CB TRP A 5 -2.442 4.047 -3.967 1.00 0.00 C ATOM 78 CG TRP A 5 -3.508 2.995 -3.989 1.00 0.00 C ATOM 79 CD1 TRP A 5 -4.081 2.383 -2.911 1.00 0.00 C ATOM 80 CD2 TRP A 5 -4.130 2.429 -5.149 1.00 0.00 C ATOM 81 NE1 TRP A 5 -5.021 1.473 -3.329 1.00 0.00 N ATOM 82 CE2 TRP A 5 -5.070 1.482 -4.698 1.00 0.00 C ATOM 83 CE3 TRP A 5 -3.984 2.630 -6.525 1.00 0.00 C ATOM 84 CZ2 TRP A 5 -5.858 0.740 -5.574 1.00 0.00 C ATOM 85 CZ3 TRP A 5 -4.768 1.894 -7.392 1.00 0.00 C ATOM 86 CH2 TRP A 5 -5.695 0.960 -6.914 1.00 0.00 C ATOM 0 H TRP A 5 0.191 4.877 -2.459 1.00 0.00 H new ATOM 0 HA TRP A 5 -1.222 3.183 -2.411 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -2.779 4.882 -3.353 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -2.301 4.431 -4.977 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -3.831 2.585 -1.880 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -5.590 0.886 -2.719 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -3.271 3.348 -6.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -6.572 0.017 -5.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -4.664 2.042 -8.457 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -6.294 0.402 -7.618 1.00 0.00 H new ATOM 97 N MET A 6 -0.976 1.169 -3.857 1.00 0.00 N ATOM 98 CA MET A 6 -0.608 -0.062 -4.556 1.00 0.00 C ATOM 99 C MET A 6 0.840 -0.056 -5.044 1.00 0.00 C ATOM 100 O MET A 6 1.099 -0.095 -6.247 1.00 0.00 O ATOM 101 CB MET A 6 -1.553 -0.295 -5.737 1.00 0.00 C ATOM 102 CG MET A 6 -2.773 -1.132 -5.385 1.00 0.00 C ATOM 103 SD MET A 6 -3.260 -2.245 -6.718 1.00 0.00 S ATOM 104 CE MET A 6 -3.599 -1.074 -8.030 1.00 0.00 C ATOM 0 H MET A 6 -1.539 1.016 -3.020 1.00 0.00 H new ATOM 0 HA MET A 6 -0.700 -0.876 -3.836 1.00 0.00 H new ATOM 0 HB2 MET A 6 -1.883 0.669 -6.123 1.00 0.00 H new ATOM 0 HB3 MET A 6 -1.004 -0.788 -6.539 1.00 0.00 H new ATOM 0 HG2 MET A 6 -2.562 -1.715 -4.489 1.00 0.00 H new ATOM 0 HG3 MET A 6 -3.606 -0.471 -5.146 1.00 0.00 H new ATOM 0 HE1 MET A 6 -4.677 -0.951 -8.139 1.00 0.00 H new ATOM 0 HE2 MET A 6 -3.147 -0.113 -7.785 1.00 0.00 H new ATOM 0 HE3 MET A 6 -3.180 -1.444 -8.966 1.00 0.00 H new ATOM 114 N TRP A 7 1.783 -0.034 -4.107 1.00 0.00 N ATOM 115 CA TRP A 7 3.194 -0.054 -4.449 1.00 0.00 C ATOM 116 C TRP A 7 3.847 -1.312 -3.864 1.00 0.00 C ATOM 117 O TRP A 7 3.655 -1.632 -2.691 1.00 0.00 O ATOM 118 CB TRP A 7 3.876 1.227 -3.946 1.00 0.00 C ATOM 119 CG TRP A 7 5.159 0.987 -3.220 1.00 0.00 C ATOM 120 CD1 TRP A 7 5.423 1.269 -1.917 1.00 0.00 C ATOM 121 CD2 TRP A 7 6.349 0.410 -3.759 1.00 0.00 C ATOM 122 NE1 TRP A 7 6.706 0.891 -1.604 1.00 0.00 N ATOM 123 CE2 TRP A 7 7.297 0.364 -2.723 1.00 0.00 C ATOM 124 CE3 TRP A 7 6.700 -0.074 -5.018 1.00 0.00 C ATOM 125 CZ2 TRP A 7 8.577 -0.152 -2.909 1.00 0.00 C ATOM 126 CZ3 TRP A 7 7.970 -0.585 -5.205 1.00 0.00 C ATOM 127 CH2 TRP A 7 8.895 -0.622 -4.155 1.00 0.00 C ATOM 0 H TRP A 7 1.592 -0.002 -3.106 1.00 0.00 H new ATOM 0 HA TRP A 7 3.311 -0.085 -5.532 1.00 0.00 H new ATOM 0 HB2 TRP A 7 4.068 1.882 -4.796 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.190 1.756 -3.285 1.00 0.00 H new ATOM 0 HD1 TRP A 7 4.726 1.724 -1.228 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.147 0.987 -0.689 1.00 0.00 H new ATOM 0 HE3 TRP A 7 5.992 -0.050 -5.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 9.292 -0.180 -2.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 8.254 -0.962 -6.177 1.00 0.00 H new ATOM 0 HH2 TRP A 7 9.879 -1.030 -4.331 1.00 0.00 H new ATOM 138 N THR A 8 4.594 -2.031 -4.700 1.00 0.00 N ATOM 139 CA THR A 8 5.261 -3.274 -4.294 1.00 0.00 C ATOM 140 C THR A 8 5.850 -3.194 -2.883 1.00 0.00 C ATOM 141 O THR A 8 6.695 -2.346 -2.600 1.00 0.00 O ATOM 142 CB THR A 8 6.364 -3.628 -5.294 1.00 0.00 C ATOM 143 OG1 THR A 8 6.304 -2.783 -6.430 1.00 0.00 O ATOM 144 CG2 THR A 8 6.290 -5.058 -5.782 1.00 0.00 C ATOM 0 H THR A 8 4.756 -1.773 -5.674 1.00 0.00 H new ATOM 0 HA THR A 8 4.500 -4.054 -4.284 1.00 0.00 H new ATOM 0 HB THR A 8 7.300 -3.492 -4.752 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.573 -1.875 -6.177 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.100 -5.244 -6.488 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.384 -5.737 -4.935 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.333 -5.225 -6.276 1.00 0.00 H new ATOM 152 N CYS A 9 5.403 -4.097 -2.004 1.00 0.00 N ATOM 153 CA CYS A 9 5.899 -4.133 -0.628 1.00 0.00 C ATOM 154 C CYS A 9 7.180 -4.954 -0.526 1.00 0.00 C ATOM 155 O CYS A 9 7.482 -5.767 -1.400 1.00 0.00 O ATOM 156 CB CYS A 9 4.839 -4.700 0.328 1.00 0.00 C ATOM 157 SG CYS A 9 4.500 -3.637 1.775 1.00 0.00 S ATOM 0 H CYS A 9 4.704 -4.807 -2.220 1.00 0.00 H new ATOM 0 HA CYS A 9 6.119 -3.106 -0.336 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.911 -4.852 -0.224 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.166 -5.679 0.678 1.00 0.00 H new ATOM 162 N ASP A 10 7.928 -4.731 0.550 1.00 0.00 N ATOM 163 CA ASP A 10 9.181 -5.441 0.778 1.00 0.00 C ATOM 164 C ASP A 10 9.775 -5.055 2.132 1.00 0.00 C ATOM 165 O ASP A 10 9.072 -4.539 3.001 1.00 0.00 O ATOM 166 CB ASP A 10 10.174 -5.133 -0.344 1.00 0.00 C ATOM 167 CG ASP A 10 10.975 -6.353 -0.759 1.00 0.00 C ATOM 168 OD1 ASP A 10 11.345 -7.150 0.129 1.00 0.00 O ATOM 169 OD2 ASP A 10 11.231 -6.511 -1.970 1.00 0.00 O ATOM 0 H ASP A 10 7.686 -4.061 1.280 1.00 0.00 H new ATOM 0 HA ASP A 10 8.978 -6.512 0.782 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.633 -4.746 -1.208 1.00 0.00 H new ATOM 0 HB3 ASP A 10 10.856 -4.348 -0.017 1.00 0.00 H new ATOM 174 N GLU A 11 11.071 -5.305 2.307 1.00 0.00 N ATOM 175 CA GLU A 11 11.751 -4.978 3.558 1.00 0.00 C ATOM 176 C GLU A 11 11.466 -3.537 3.979 1.00 0.00 C ATOM 177 O GLU A 11 11.474 -3.213 5.166 1.00 0.00 O ATOM 178 CB GLU A 11 13.260 -5.188 3.411 1.00 0.00 C ATOM 179 CG GLU A 11 13.655 -6.644 3.229 1.00 0.00 C ATOM 180 CD GLU A 11 13.983 -6.981 1.787 1.00 0.00 C ATOM 181 OE1 GLU A 11 14.458 -6.083 1.060 1.00 0.00 O ATOM 182 OE2 GLU A 11 13.766 -8.144 1.386 1.00 0.00 O ATOM 0 H GLU A 11 11.670 -5.732 1.600 1.00 0.00 H new ATOM 0 HA GLU A 11 11.369 -5.644 4.332 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.617 -4.613 2.556 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.762 -4.791 4.294 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.519 -6.864 3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.842 -7.283 3.572 1.00 0.00 H new ATOM 189 N GLU A 12 11.210 -2.679 2.997 1.00 0.00 N ATOM 190 CA GLU A 12 10.918 -1.274 3.261 1.00 0.00 C ATOM 191 C GLU A 12 10.057 -0.686 2.148 1.00 0.00 C ATOM 192 O GLU A 12 10.558 -0.345 1.076 1.00 0.00 O ATOM 193 CB GLU A 12 12.218 -0.477 3.393 1.00 0.00 C ATOM 194 CG GLU A 12 13.228 -0.772 2.296 1.00 0.00 C ATOM 195 CD GLU A 12 14.341 -1.690 2.761 1.00 0.00 C ATOM 196 OE1 GLU A 12 14.094 -2.512 3.668 1.00 0.00 O ATOM 197 OE2 GLU A 12 15.461 -1.587 2.218 1.00 0.00 O ATOM 0 H GLU A 12 11.199 -2.932 2.009 1.00 0.00 H new ATOM 0 HA GLU A 12 10.366 -1.210 4.199 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.984 0.588 3.383 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.671 -0.695 4.360 1.00 0.00 H new ATOM 0 HG2 GLU A 12 12.716 -1.228 1.449 1.00 0.00 H new ATOM 0 HG3 GLU A 12 13.658 0.165 1.942 1.00 0.00 H new ATOM 204 N ARG A 13 8.757 -0.575 2.406 1.00 0.00 N ATOM 205 CA ARG A 13 7.828 -0.036 1.426 1.00 0.00 C ATOM 206 C ARG A 13 7.491 1.422 1.741 1.00 0.00 C ATOM 207 O ARG A 13 6.799 1.715 2.716 1.00 0.00 O ATOM 208 CB ARG A 13 6.559 -0.904 1.389 1.00 0.00 C ATOM 209 CG ARG A 13 5.293 -0.160 0.987 1.00 0.00 C ATOM 210 CD ARG A 13 4.432 -0.976 0.029 1.00 0.00 C ATOM 211 NE ARG A 13 3.077 -1.172 0.534 1.00 0.00 N ATOM 212 CZ ARG A 13 2.267 -2.144 0.121 1.00 0.00 C ATOM 213 NH1 ARG A 13 2.673 -3.014 -0.792 1.00 0.00 N ATOM 214 NH2 ARG A 13 1.048 -2.248 0.623 1.00 0.00 N ATOM 0 H ARG A 13 8.326 -0.852 3.288 1.00 0.00 H new ATOM 0 HA ARG A 13 8.296 -0.057 0.442 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.718 -1.727 0.692 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.408 -1.345 2.374 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.715 0.080 1.879 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.562 0.786 0.517 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.388 -0.472 -0.936 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.899 -1.946 -0.139 1.00 0.00 H new ATOM 0 HE ARG A 13 2.731 -0.527 1.244 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.612 -2.942 -1.183 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.046 -3.756 -1.103 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.728 -1.583 1.327 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.428 -2.993 0.306 1.00 0.00 H new ATOM 228 N LYS A 14 7.984 2.328 0.902 1.00 0.00 N ATOM 229 CA LYS A 14 7.739 3.756 1.073 1.00 0.00 C ATOM 230 C LYS A 14 6.292 4.108 0.745 1.00 0.00 C ATOM 231 O LYS A 14 6.025 4.881 -0.170 1.00 0.00 O ATOM 232 CB LYS A 14 8.690 4.558 0.183 1.00 0.00 C ATOM 233 CG LYS A 14 10.155 4.188 0.360 1.00 0.00 C ATOM 234 CD LYS A 14 10.462 3.736 1.782 1.00 0.00 C ATOM 235 CE LYS A 14 11.956 3.763 2.066 1.00 0.00 C ATOM 236 NZ LYS A 14 12.243 3.911 3.520 1.00 0.00 N ATOM 0 H LYS A 14 8.559 2.096 0.092 1.00 0.00 H new ATOM 0 HA LYS A 14 7.921 4.011 2.117 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.410 4.408 -0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.565 5.619 0.397 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.415 3.392 -0.337 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.778 5.046 0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.944 4.383 2.490 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.080 2.727 1.934 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.412 2.844 1.698 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.414 4.587 1.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.254 3.739 3.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.998 4.874 3.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.678 3.223 4.057 1.00 0.00 H new ATOM 250 N CYS A 15 5.364 3.539 1.507 1.00 0.00 N ATOM 251 CA CYS A 15 3.940 3.795 1.310 1.00 0.00 C ATOM 252 C CYS A 15 3.397 4.635 2.460 1.00 0.00 C ATOM 253 O CYS A 15 3.886 4.540 3.586 1.00 0.00 O ATOM 254 CB CYS A 15 3.171 2.475 1.229 1.00 0.00 C ATOM 255 SG CYS A 15 1.984 2.373 -0.149 1.00 0.00 S ATOM 0 H CYS A 15 5.573 2.895 2.270 1.00 0.00 H new ATOM 0 HA CYS A 15 3.810 4.340 0.375 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.886 1.658 1.136 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.634 2.324 2.166 1.00 0.00 H new ATOM 260 N CYS A 16 2.388 5.454 2.186 1.00 0.00 N ATOM 261 CA CYS A 16 1.805 6.293 3.225 1.00 0.00 C ATOM 262 C CYS A 16 1.204 5.439 4.340 1.00 0.00 C ATOM 263 O CYS A 16 0.889 4.267 4.139 1.00 0.00 O ATOM 264 CB CYS A 16 0.752 7.229 2.631 1.00 0.00 C ATOM 265 SG CYS A 16 1.343 8.937 2.380 1.00 0.00 S ATOM 0 H CYS A 16 1.961 5.554 1.265 1.00 0.00 H new ATOM 0 HA CYS A 16 2.599 6.902 3.658 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.419 6.826 1.675 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.117 7.248 3.289 1.00 0.00 H new ATOM 270 N GLU A 17 1.067 6.034 5.522 1.00 0.00 N ATOM 271 CA GLU A 17 0.527 5.331 6.685 1.00 0.00 C ATOM 272 C GLU A 17 -0.942 4.949 6.501 1.00 0.00 C ATOM 273 O GLU A 17 -1.487 4.177 7.291 1.00 0.00 O ATOM 274 CB GLU A 17 0.681 6.196 7.938 1.00 0.00 C ATOM 275 CG GLU A 17 0.222 5.507 9.212 1.00 0.00 C ATOM 276 CD GLU A 17 0.678 6.233 10.463 1.00 0.00 C ATOM 277 OE1 GLU A 17 0.371 7.435 10.597 1.00 0.00 O ATOM 278 OE2 GLU A 17 1.342 5.597 11.309 1.00 0.00 O ATOM 0 H GLU A 17 1.323 7.005 5.701 1.00 0.00 H new ATOM 0 HA GLU A 17 1.096 4.408 6.797 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.727 6.482 8.046 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.111 7.116 7.807 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.866 5.438 9.212 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.606 4.487 9.228 1.00 0.00 H new ATOM 285 N GLY A 18 -1.583 5.488 5.469 1.00 0.00 N ATOM 286 CA GLY A 18 -2.983 5.178 5.230 1.00 0.00 C ATOM 287 C GLY A 18 -3.176 3.986 4.312 1.00 0.00 C ATOM 288 O GLY A 18 -4.122 3.951 3.523 1.00 0.00 O ATOM 0 H GLY A 18 -1.163 6.130 4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.474 4.979 6.183 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.473 6.049 4.794 1.00 0.00 H new ATOM 292 N LEU A 19 -2.280 3.006 4.407 1.00 0.00 N ATOM 293 CA LEU A 19 -2.361 1.812 3.572 1.00 0.00 C ATOM 294 C LEU A 19 -1.819 0.587 4.308 1.00 0.00 C ATOM 295 O LEU A 19 -1.096 0.715 5.297 1.00 0.00 O ATOM 296 CB LEU A 19 -1.579 2.024 2.273 1.00 0.00 C ATOM 297 CG LEU A 19 -1.984 3.254 1.458 1.00 0.00 C ATOM 298 CD1 LEU A 19 -0.837 3.705 0.567 1.00 0.00 C ATOM 299 CD2 LEU A 19 -3.222 2.958 0.628 1.00 0.00 C ATOM 0 H LEU A 19 -1.491 3.016 5.053 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.411 1.635 3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.519 2.102 2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.699 1.139 1.648 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.219 4.063 2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.143 4.581 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.025 3.958 1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.570 2.900 -0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.496 3.844 0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.014 2.134 -0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.045 2.684 1.288 1.00 0.00 H new ATOM 311 N VAL A 20 -2.171 -0.600 3.817 1.00 0.00 N ATOM 312 CA VAL A 20 -1.716 -1.849 4.425 1.00 0.00 C ATOM 313 C VAL A 20 -0.727 -2.571 3.513 1.00 0.00 C ATOM 314 O VAL A 20 -0.844 -2.505 2.289 1.00 0.00 O ATOM 315 CB VAL A 20 -2.898 -2.790 4.729 1.00 0.00 C ATOM 316 CG1 VAL A 20 -2.433 -3.987 5.543 1.00 0.00 C ATOM 317 CG2 VAL A 20 -4.004 -2.040 5.454 1.00 0.00 C ATOM 0 H VAL A 20 -2.770 -0.723 3.000 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.222 -1.586 5.361 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.298 -3.157 3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.282 -4.640 5.748 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.679 -4.538 4.981 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.005 -3.643 6.484 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.830 -2.720 5.660 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.619 -1.642 6.393 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.357 -1.219 4.829 1.00 0.00 H new ATOM 327 N CYS A 21 0.249 -3.251 4.115 1.00 0.00 N ATOM 328 CA CYS A 21 1.264 -3.972 3.347 1.00 0.00 C ATOM 329 C CYS A 21 0.818 -5.389 2.998 1.00 0.00 C ATOM 330 O CYS A 21 0.731 -6.258 3.864 1.00 0.00 O ATOM 331 CB CYS A 21 2.589 -4.027 4.110 1.00 0.00 C ATOM 332 SG CYS A 21 3.913 -4.927 3.232 1.00 0.00 S ATOM 0 H CYS A 21 0.358 -3.318 5.127 1.00 0.00 H new ATOM 0 HA CYS A 21 1.404 -3.420 2.417 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.925 -3.009 4.308 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.421 -4.501 5.077 1.00 0.00 H new ATOM 337 N ARG A 22 0.565 -5.608 1.713 1.00 0.00 N ATOM 338 CA ARG A 22 0.158 -6.909 1.206 1.00 0.00 C ATOM 339 C ARG A 22 0.186 -6.885 -0.316 1.00 0.00 C ATOM 340 O ARG A 22 -0.744 -6.390 -0.950 1.00 0.00 O ATOM 341 CB ARG A 22 -1.245 -7.258 1.698 1.00 0.00 C ATOM 342 CG ARG A 22 -1.248 -8.006 3.018 1.00 0.00 C ATOM 343 CD ARG A 22 -2.041 -7.266 4.084 1.00 0.00 C ATOM 344 NE ARG A 22 -3.386 -7.812 4.246 1.00 0.00 N ATOM 345 CZ ARG A 22 -4.148 -7.601 5.315 1.00 0.00 C ATOM 346 NH1 ARG A 22 -3.704 -6.857 6.320 1.00 0.00 N ATOM 347 NH2 ARG A 22 -5.361 -8.136 5.381 1.00 0.00 N ATOM 0 H ARG A 22 0.637 -4.887 0.995 1.00 0.00 H new ATOM 0 HA ARG A 22 0.849 -7.668 1.572 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.823 -6.340 1.807 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.747 -7.864 0.944 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.673 -8.999 2.872 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.222 -8.146 3.359 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.510 -7.322 5.034 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.108 -6.211 3.818 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.763 -8.389 3.494 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.773 -6.443 6.275 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.294 -6.699 7.137 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.708 -8.709 4.612 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.946 -7.974 6.201 1.00 0.00 H new ATOM 361 N LEU A 23 1.265 -7.408 -0.896 1.00 0.00 N ATOM 362 CA LEU A 23 1.426 -7.425 -2.349 1.00 0.00 C ATOM 363 C LEU A 23 1.590 -6.001 -2.880 1.00 0.00 C ATOM 364 O LEU A 23 2.618 -5.660 -3.468 1.00 0.00 O ATOM 365 CB LEU A 23 0.228 -8.108 -3.019 1.00 0.00 C ATOM 366 CG LEU A 23 0.495 -9.523 -3.532 1.00 0.00 C ATOM 367 CD1 LEU A 23 1.628 -9.519 -4.547 1.00 0.00 C ATOM 368 CD2 LEU A 23 0.819 -10.456 -2.375 1.00 0.00 C ATOM 0 H LEU A 23 2.041 -7.826 -0.382 1.00 0.00 H new ATOM 0 HA LEU A 23 2.324 -7.995 -2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.595 -8.146 -2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.102 -7.491 -3.855 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.407 -9.886 -4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.803 -10.535 -4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.359 -8.883 -5.390 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.535 -9.136 -4.079 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.006 -11.459 -2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.706 -10.095 -1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.023 -10.483 -1.683 1.00 0.00 H new ATOM 380 N TRP A 24 0.575 -5.174 -2.656 1.00 0.00 N ATOM 381 CA TRP A 24 0.593 -3.784 -3.091 1.00 0.00 C ATOM 382 C TRP A 24 -0.397 -2.967 -2.264 1.00 0.00 C ATOM 383 O TRP A 24 -1.511 -3.418 -1.999 1.00 0.00 O ATOM 384 CB TRP A 24 0.246 -3.682 -4.579 1.00 0.00 C ATOM 385 CG TRP A 24 -0.854 -4.608 -5.002 1.00 0.00 C ATOM 386 CD1 TRP A 24 -2.186 -4.480 -4.727 1.00 0.00 C ATOM 387 CD2 TRP A 24 -0.717 -5.806 -5.774 1.00 0.00 C ATOM 388 NE1 TRP A 24 -2.885 -5.524 -5.282 1.00 0.00 N ATOM 389 CE2 TRP A 24 -2.005 -6.351 -5.931 1.00 0.00 C ATOM 390 CE3 TRP A 24 0.370 -6.468 -6.350 1.00 0.00 C ATOM 391 CZ2 TRP A 24 -2.234 -7.528 -6.638 1.00 0.00 C ATOM 392 CZ3 TRP A 24 0.142 -7.637 -7.052 1.00 0.00 C ATOM 393 CH2 TRP A 24 -1.152 -8.156 -7.191 1.00 0.00 C ATOM 0 H TRP A 24 -0.279 -5.447 -2.170 1.00 0.00 H new ATOM 0 HA TRP A 24 1.596 -3.385 -2.942 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -0.046 -2.657 -4.806 1.00 0.00 H new ATOM 0 HB3 TRP A 24 1.138 -3.898 -5.167 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -2.625 -3.675 -4.156 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -3.894 -5.662 -5.221 1.00 0.00 H new ATOM 0 HE3 TRP A 24 1.370 -6.074 -6.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.230 -7.931 -6.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 0.975 -8.159 -7.500 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.298 -9.071 -7.746 1.00 0.00 H new ATOM 404 N CYS A 25 0.017 -1.772 -1.847 1.00 0.00 N ATOM 405 CA CYS A 25 -0.833 -0.896 -1.036 1.00 0.00 C ATOM 406 C CYS A 25 -2.277 -0.887 -1.531 1.00 0.00 C ATOM 407 O CYS A 25 -2.561 -0.463 -2.650 1.00 0.00 O ATOM 408 CB CYS A 25 -0.274 0.529 -1.025 1.00 0.00 C ATOM 409 SG CYS A 25 0.702 0.922 0.460 1.00 0.00 S ATOM 0 H CYS A 25 0.937 -1.386 -2.057 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.832 -1.292 -0.020 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.350 0.672 -1.907 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.101 1.235 -1.102 1.00 0.00 H new ATOM 414 N LYS A 26 -3.182 -1.358 -0.679 1.00 0.00 N ATOM 415 CA LYS A 26 -4.600 -1.407 -1.018 1.00 0.00 C ATOM 416 C LYS A 26 -5.416 -0.552 -0.053 1.00 0.00 C ATOM 417 O LYS A 26 -5.065 -0.415 1.119 1.00 0.00 O ATOM 418 CB LYS A 26 -5.103 -2.851 -0.989 1.00 0.00 C ATOM 419 CG LYS A 26 -4.618 -3.688 -2.162 1.00 0.00 C ATOM 420 CD LYS A 26 -4.394 -5.135 -1.758 1.00 0.00 C ATOM 421 CE LYS A 26 -5.710 -5.875 -1.577 1.00 0.00 C ATOM 422 NZ LYS A 26 -5.517 -7.206 -0.939 1.00 0.00 N ATOM 0 H LYS A 26 -2.959 -1.711 0.251 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.723 -1.008 -2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -4.780 -3.321 -0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.193 -2.847 -0.982 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.349 -3.643 -2.969 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.689 -3.269 -2.550 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.795 -5.637 -2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.825 -5.170 -0.829 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.383 -5.274 -0.966 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.190 -6.004 -2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.438 -7.677 -0.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.895 -7.790 -1.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.082 -7.082 -0.002 1.00 0.00 H new ATOM 436 N ARG A 27 -6.506 0.019 -0.554 1.00 0.00 N ATOM 437 CA ARG A 27 -7.371 0.862 0.263 1.00 0.00 C ATOM 438 C ARG A 27 -8.171 0.022 1.254 1.00 0.00 C ATOM 439 O ARG A 27 -8.604 -1.086 0.938 1.00 0.00 O ATOM 440 CB ARG A 27 -8.322 1.668 -0.627 1.00 0.00 C ATOM 441 CG ARG A 27 -9.322 0.812 -1.389 1.00 0.00 C ATOM 442 CD ARG A 27 -8.770 0.369 -2.735 1.00 0.00 C ATOM 443 NE ARG A 27 -8.739 -1.086 -2.861 1.00 0.00 N ATOM 444 CZ ARG A 27 -8.688 -1.730 -4.025 1.00 0.00 C ATOM 445 NH1 ARG A 27 -8.661 -1.053 -5.166 1.00 0.00 N ATOM 446 NH2 ARG A 27 -8.665 -3.056 -4.047 1.00 0.00 N ATOM 0 H ARG A 27 -6.811 -0.087 -1.521 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.740 1.551 0.825 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.866 2.382 -0.009 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.735 2.246 -1.340 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -9.579 -0.065 -0.794 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.243 1.375 -1.540 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.381 0.789 -3.534 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.763 0.766 -2.862 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.758 -1.642 -2.006 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.679 -0.033 -5.154 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.622 -1.552 -6.055 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.686 -3.581 -3.173 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.626 -3.551 -4.938 1.00 0.00 H new ATOM 460 N ILE A 28 -8.358 0.557 2.459 1.00 0.00 N ATOM 461 CA ILE A 28 -9.099 -0.138 3.505 1.00 0.00 C ATOM 462 C ILE A 28 -10.399 -0.732 2.973 1.00 0.00 C ATOM 463 O ILE A 28 -10.939 -0.280 1.964 1.00 0.00 O ATOM 464 CB ILE A 28 -9.393 0.810 4.697 1.00 0.00 C ATOM 465 CG1 ILE A 28 -8.159 0.921 5.589 1.00 0.00 C ATOM 466 CG2 ILE A 28 -10.590 0.332 5.513 1.00 0.00 C ATOM 467 CD1 ILE A 28 -7.570 -0.421 5.959 1.00 0.00 C ATOM 0 H ILE A 28 -8.004 1.473 2.734 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.472 -0.958 3.855 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.639 1.792 4.293 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.401 1.515 5.078 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.424 1.458 6.500 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -10.766 1.021 6.339 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.474 0.297 4.876 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.387 -0.664 5.908 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.696 -0.272 6.593 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.314 -1.009 6.497 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.275 -0.951 5.053 1.00 0.00 H new ATOM 479 N ILE A 29 -10.887 -1.758 3.663 1.00 0.00 N ATOM 480 CA ILE A 29 -12.116 -2.432 3.270 1.00 0.00 C ATOM 481 C ILE A 29 -13.250 -1.434 3.050 1.00 0.00 C ATOM 482 O ILE A 29 -13.878 -0.972 4.004 1.00 0.00 O ATOM 483 CB ILE A 29 -12.554 -3.470 4.322 1.00 0.00 C ATOM 484 CG1 ILE A 29 -11.404 -4.429 4.643 1.00 0.00 C ATOM 485 CG2 ILE A 29 -13.771 -4.243 3.833 1.00 0.00 C ATOM 486 CD1 ILE A 29 -10.825 -5.110 3.420 1.00 0.00 C ATOM 0 H ILE A 29 -10.447 -2.141 4.500 1.00 0.00 H new ATOM 0 HA ILE A 29 -11.904 -2.946 2.333 1.00 0.00 H new ATOM 0 HB ILE A 29 -12.825 -2.940 5.235 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.613 -3.877 5.151 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.759 -5.189 5.338 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -14.067 -4.972 4.588 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -14.594 -3.551 3.654 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -13.525 -4.761 2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.015 -5.774 3.722 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.603 -5.689 2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.439 -4.357 2.733 1.00 0.00 H new ATOM 498 N ASN A 30 -13.509 -1.107 1.789 1.00 0.00 N ATOM 499 CA ASN A 30 -14.568 -0.164 1.445 1.00 0.00 C ATOM 500 C ASN A 30 -15.006 -0.344 -0.005 1.00 0.00 C ATOM 501 O ASN A 30 -14.537 -1.246 -0.699 1.00 0.00 O ATOM 502 CB ASN A 30 -14.095 1.273 1.672 1.00 0.00 C ATOM 503 CG ASN A 30 -15.196 2.167 2.205 1.00 0.00 C ATOM 504 OD1 ASN A 30 -15.736 3.005 1.481 1.00 0.00 O ATOM 505 ND2 ASN A 30 -15.537 1.994 3.476 1.00 0.00 N ATOM 0 H ASN A 30 -13.001 -1.481 0.988 1.00 0.00 H new ATOM 0 HA ASN A 30 -15.422 -0.364 2.092 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.261 1.271 2.374 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.721 1.682 0.733 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -16.273 2.567 3.889 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -15.063 1.288 4.040 1.00 0.00 H new ATOM 512 N MET A 31 -15.910 0.520 -0.456 1.00 0.00 N ATOM 513 CA MET A 31 -16.412 0.456 -1.823 1.00 0.00 C ATOM 514 C MET A 31 -16.849 1.835 -2.307 1.00 0.00 C ATOM 515 O MET A 31 -17.641 2.488 -1.595 1.00 0.00 O ATOM 516 CB MET A 31 -17.584 -0.524 -1.914 1.00 0.00 C ATOM 517 CG MET A 31 -18.631 -0.322 -0.830 1.00 0.00 C ATOM 518 SD MET A 31 -20.305 -0.652 -1.411 1.00 0.00 S ATOM 519 CE MET A 31 -21.226 -0.525 0.118 1.00 0.00 C ATOM 520 OXT MET A 31 -16.396 2.250 -3.394 1.00 0.00 O ATOM 0 H MET A 31 -16.309 1.272 0.105 1.00 0.00 H new ATOM 0 HA MET A 31 -15.603 0.105 -2.464 1.00 0.00 H new ATOM 0 HB2 MET A 31 -18.059 -0.420 -2.890 1.00 0.00 H new ATOM 0 HB3 MET A 31 -17.201 -1.543 -1.852 1.00 0.00 H new ATOM 0 HG2 MET A 31 -18.407 -0.977 0.012 1.00 0.00 H new ATOM 0 HG3 MET A 31 -18.574 0.702 -0.461 1.00 0.00 H new ATOM 0 HE1 MET A 31 -22.283 -0.705 -0.078 1.00 0.00 H new ATOM 0 HE2 MET A 31 -20.857 -1.266 0.827 1.00 0.00 H new ATOM 0 HE3 MET A 31 -21.099 0.473 0.537 1.00 0.00 H new TER 530 MET A 31