USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 250 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 ALA N :NH3+ 149:sc= -0.0476 (180deg=-0.26) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0352 K(o=-0.035,f=-1.8!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0768 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.930 0.639 -2.302 1.00 12.11 N ATOM 2 CA ALA A 1 1.847 0.009 -1.360 1.00 52.14 C ATOM 3 C ALA A 1 2.087 -1.453 -1.722 1.00 25.12 C ATOM 4 O ALA A 1 2.383 -2.275 -0.856 1.00 21.21 O ATOM 5 CB ALA A 1 1.308 0.122 0.057 1.00 2.33 C ATOM 0 H1 ALA A 1 0.383 1.377 -1.814 1.00 12.11 H new ATOM 0 H2 ALA A 1 1.471 1.067 -3.080 1.00 12.11 H new ATOM 0 H3 ALA A 1 0.280 -0.077 -2.686 1.00 12.11 H new ATOM 0 HA ALA A 1 2.802 0.532 -1.416 1.00 52.14 H new ATOM 0 HB1 ALA A 1 2.003 -0.353 0.750 1.00 2.33 H new ATOM 0 HB2 ALA A 1 1.195 1.174 0.320 1.00 2.33 H new ATOM 0 HB3 ALA A 1 0.339 -0.374 0.118 1.00 2.33 H new ATOM 13 N GLU A 2 1.959 -1.769 -3.007 1.00 50.00 N ATOM 14 CA GLU A 2 2.160 -3.132 -3.482 1.00 54.11 C ATOM 15 C GLU A 2 3.644 -3.422 -3.689 1.00 62.42 C ATOM 16 O GLU A 2 4.471 -2.510 -3.700 1.00 2.33 O ATOM 17 CB GLU A 2 1.397 -3.360 -4.789 1.00 32.40 C ATOM 18 CG GLU A 2 -0.033 -3.831 -4.584 1.00 63.31 C ATOM 19 CD GLU A 2 -0.985 -2.690 -4.281 1.00 50.54 C ATOM 20 OE1 GLU A 2 -0.529 -1.528 -4.250 1.00 43.45 O ATOM 21 OE2 GLU A 2 -2.187 -2.960 -4.074 1.00 14.01 O1- ATOM 0 H GLU A 2 1.717 -1.099 -3.737 1.00 50.00 H new ATOM 0 HA GLU A 2 1.776 -3.814 -2.723 1.00 54.11 H new ATOM 0 HB2 GLU A 2 1.387 -2.432 -5.361 1.00 32.40 H new ATOM 0 HB3 GLU A 2 1.931 -4.097 -5.388 1.00 32.40 H new ATOM 0 HG2 GLU A 2 -0.371 -4.354 -5.479 1.00 63.31 H new ATOM 0 HG3 GLU A 2 -0.061 -4.550 -3.765 1.00 63.31 H new ATOM 28 N CYS A 3 3.974 -4.699 -3.856 1.00 61.14 N ATOM 29 CA CYS A 3 5.357 -5.111 -4.062 1.00 54.52 C ATOM 30 C CYS A 3 5.495 -5.931 -5.342 1.00 4.43 C ATOM 31 O CYS A 3 4.514 -6.465 -5.860 1.00 45.13 O ATOM 32 CB CYS A 3 5.853 -5.926 -2.866 1.00 25.33 C ATOM 33 SG CYS A 3 4.880 -7.432 -2.538 1.00 61.41 S ATOM 0 H CYS A 3 3.302 -5.466 -3.853 1.00 61.14 H new ATOM 0 HA CYS A 3 5.967 -4.213 -4.158 1.00 54.52 H new ATOM 0 HB2 CYS A 3 6.892 -6.208 -3.037 1.00 25.33 H new ATOM 0 HB3 CYS A 3 5.836 -5.295 -1.978 1.00 25.33 H new ATOM 38 N LYS A 4 6.720 -6.027 -5.848 1.00 51.35 N ATOM 39 CA LYS A 4 6.989 -6.782 -7.066 1.00 63.21 C ATOM 40 C LYS A 4 6.502 -8.221 -6.932 1.00 14.51 C ATOM 41 O LYS A 4 6.064 -8.642 -5.862 1.00 75.33 O ATOM 42 CB LYS A 4 8.486 -6.767 -7.379 1.00 74.44 C ATOM 43 CG LYS A 4 8.868 -5.785 -8.474 1.00 52.44 C ATOM 44 CD LYS A 4 8.486 -4.361 -8.104 1.00 1.14 C ATOM 45 CE LYS A 4 8.940 -3.369 -9.165 1.00 12.25 C ATOM 46 NZ LYS A 4 7.904 -3.169 -10.216 1.00 43.31 N1+ ATOM 0 H LYS A 4 7.543 -5.591 -5.433 1.00 51.35 H new ATOM 0 HA LYS A 4 6.448 -6.308 -7.885 1.00 63.21 H new ATOM 0 HB2 LYS A 4 9.036 -6.519 -6.471 1.00 74.44 H new ATOM 0 HB3 LYS A 4 8.797 -7.769 -7.676 1.00 74.44 H new ATOM 0 HG2 LYS A 4 9.942 -5.839 -8.655 1.00 52.44 H new ATOM 0 HG3 LYS A 4 8.374 -6.065 -9.404 1.00 52.44 H new ATOM 0 HD2 LYS A 4 7.405 -4.294 -7.980 1.00 1.14 H new ATOM 0 HD3 LYS A 4 8.934 -4.100 -7.145 1.00 1.14 H new ATOM 0 HE2 LYS A 4 9.169 -2.413 -8.694 1.00 12.25 H new ATOM 0 HE3 LYS A 4 9.861 -3.726 -9.626 1.00 12.25 H new ATOM 0 HZ1 LYS A 4 8.251 -2.487 -10.920 1.00 43.31 H new ATOM 0 HZ2 LYS A 4 7.703 -4.076 -10.683 1.00 43.31 H new ATOM 0 HZ3 LYS A 4 7.033 -2.804 -9.780 1.00 43.31 H new ATOM 60 N GLY A 5 6.583 -8.973 -8.025 1.00 61.21 N ATOM 61 CA GLY A 5 6.148 -10.358 -8.008 1.00 24.52 C ATOM 62 C GLY A 5 7.278 -11.324 -8.300 1.00 12.03 C ATOM 63 O GLY A 5 8.272 -11.367 -7.574 1.00 44.11 O ATOM 0 H GLY A 5 6.942 -8.648 -8.923 1.00 61.21 H new ATOM 0 HA2 GLY A 5 5.720 -10.589 -7.033 1.00 24.52 H new ATOM 0 HA3 GLY A 5 5.357 -10.496 -8.745 1.00 24.52 H new ATOM 67 N PHE A 6 7.127 -12.104 -9.365 1.00 74.41 N ATOM 68 CA PHE A 6 8.143 -13.078 -9.750 1.00 14.12 C ATOM 69 C PHE A 6 8.669 -12.790 -11.154 1.00 20.32 C ATOM 70 O PHE A 6 9.863 -12.923 -11.420 1.00 30.10 O ATOM 71 CB PHE A 6 7.570 -14.495 -9.689 1.00 62.42 C ATOM 72 CG PHE A 6 8.478 -15.534 -10.283 1.00 64.14 C ATOM 73 CD1 PHE A 6 9.810 -15.605 -9.909 1.00 22.52 C ATOM 74 CD2 PHE A 6 7.999 -16.441 -11.214 1.00 43.12 C ATOM 75 CE1 PHE A 6 10.647 -16.560 -10.454 1.00 21.53 C ATOM 76 CE2 PHE A 6 8.830 -17.398 -11.763 1.00 4.40 C ATOM 77 CZ PHE A 6 10.156 -17.458 -11.381 1.00 31.41 C ATOM 0 H PHE A 6 6.311 -12.081 -9.977 1.00 74.41 H new ATOM 0 HA PHE A 6 8.972 -12.998 -9.047 1.00 14.12 H new ATOM 0 HB2 PHE A 6 7.368 -14.752 -8.649 1.00 62.42 H new ATOM 0 HB3 PHE A 6 6.615 -14.515 -10.214 1.00 62.42 H new ATOM 0 HD1 PHE A 6 10.199 -14.906 -9.183 1.00 22.52 H new ATOM 0 HD2 PHE A 6 6.962 -16.399 -11.514 1.00 43.12 H new ATOM 0 HE1 PHE A 6 11.684 -16.604 -10.155 1.00 21.53 H new ATOM 0 HE2 PHE A 6 8.444 -18.098 -12.489 1.00 4.40 H new ATOM 0 HZ PHE A 6 10.808 -18.206 -11.807 1.00 31.41 H new ATOM 87 N TRP A 7 7.769 -12.394 -12.045 1.00 11.32 N ATOM 88 CA TRP A 7 8.140 -12.087 -13.422 1.00 4.43 C ATOM 89 C TRP A 7 8.286 -10.582 -13.625 1.00 5.24 C ATOM 90 O TRP A 7 8.543 -10.117 -14.735 1.00 41.31 O ATOM 91 CB TRP A 7 7.097 -12.645 -14.390 1.00 72.42 C ATOM 92 CG TRP A 7 5.701 -12.190 -14.088 1.00 54.44 C ATOM 93 CD1 TRP A 7 5.190 -10.935 -14.270 1.00 11.44 C ATOM 94 CD2 TRP A 7 4.639 -12.983 -13.548 1.00 32.22 C ATOM 95 NE1 TRP A 7 3.874 -10.902 -13.875 1.00 40.53 N ATOM 96 CE2 TRP A 7 3.512 -12.146 -13.429 1.00 53.24 C ATOM 97 CE3 TRP A 7 4.529 -14.320 -13.154 1.00 11.41 C ATOM 98 CZ2 TRP A 7 2.295 -12.603 -12.933 1.00 5.53 C ATOM 99 CZ3 TRP A 7 3.319 -14.771 -12.662 1.00 41.22 C ATOM 100 CH2 TRP A 7 2.215 -13.916 -12.555 1.00 75.31 C ATOM 0 H TRP A 7 6.777 -12.278 -11.840 1.00 11.32 H new ATOM 0 HA TRP A 7 9.102 -12.557 -13.625 1.00 4.43 H new ATOM 0 HB2 TRP A 7 7.357 -12.345 -15.405 1.00 72.42 H new ATOM 0 HB3 TRP A 7 7.131 -13.734 -14.361 1.00 72.42 H new ATOM 0 HD1 TRP A 7 5.739 -10.094 -14.666 1.00 11.44 H new ATOM 0 HE1 TRP A 7 3.265 -10.084 -13.908 1.00 40.53 H new ATOM 0 HE3 TRP A 7 5.374 -14.988 -13.233 1.00 11.41 H new ATOM 0 HZ2 TRP A 7 1.443 -11.945 -12.849 1.00 5.53 H new ATOM 0 HZ3 TRP A 7 3.223 -15.802 -12.354 1.00 41.22 H new ATOM 0 HH2 TRP A 7 1.283 -14.300 -12.167 1.00 75.31 H new ATOM 111 N LYS A 8 8.122 -9.826 -12.544 1.00 51.55 N ATOM 112 CA LYS A 8 8.236 -8.373 -12.603 1.00 1.40 C ATOM 113 C LYS A 8 9.680 -7.952 -12.854 1.00 33.31 C ATOM 114 O LYS A 8 10.580 -8.790 -12.920 1.00 34.14 O ATOM 115 CB LYS A 8 7.731 -7.749 -11.300 1.00 74.13 C ATOM 116 CG LYS A 8 6.218 -7.772 -11.161 1.00 62.42 C ATOM 117 CD LYS A 8 5.548 -6.916 -12.221 1.00 54.31 C ATOM 118 CE LYS A 8 4.105 -6.604 -11.855 1.00 64.31 C ATOM 119 NZ LYS A 8 3.998 -5.379 -11.016 1.00 3.33 N1+ ATOM 0 H LYS A 8 7.910 -10.195 -11.617 1.00 51.55 H new ATOM 0 HA LYS A 8 7.623 -8.017 -13.431 1.00 1.40 H new ATOM 0 HB2 LYS A 8 8.173 -8.280 -10.457 1.00 74.13 H new ATOM 0 HB3 LYS A 8 8.077 -6.717 -11.243 1.00 74.13 H new ATOM 0 HG2 LYS A 8 5.860 -8.798 -11.241 1.00 62.42 H new ATOM 0 HG3 LYS A 8 5.937 -7.413 -10.171 1.00 62.42 H new ATOM 0 HD2 LYS A 8 6.103 -5.986 -12.343 1.00 54.31 H new ATOM 0 HD3 LYS A 8 5.578 -7.433 -13.180 1.00 54.31 H new ATOM 0 HE2 LYS A 8 3.520 -6.473 -12.765 1.00 64.31 H new ATOM 0 HE3 LYS A 8 3.675 -7.450 -11.319 1.00 64.31 H new ATOM 0 HZ1 LYS A 8 2.999 -5.201 -10.788 1.00 3.33 H new ATOM 0 HZ2 LYS A 8 4.535 -5.513 -10.136 1.00 3.33 H new ATOM 0 HZ3 LYS A 8 4.385 -4.566 -11.537 1.00 3.33 H new ATOM 133 N SER A 9 9.896 -6.648 -12.992 1.00 2.23 N ATOM 134 CA SER A 9 11.230 -6.114 -13.238 1.00 24.10 C ATOM 135 C SER A 9 11.756 -5.377 -12.011 1.00 72.15 C ATOM 136 O SER A 9 11.123 -4.447 -11.511 1.00 12.02 O ATOM 137 CB SER A 9 11.212 -5.173 -14.444 1.00 32.24 C ATOM 138 OG SER A 9 10.246 -5.582 -15.397 1.00 32.31 O ATOM 0 H SER A 9 9.163 -5.941 -12.937 1.00 2.23 H new ATOM 0 HA SER A 9 11.895 -6.951 -13.450 1.00 24.10 H new ATOM 0 HB2 SER A 9 10.994 -4.158 -14.113 1.00 32.24 H new ATOM 0 HB3 SER A 9 12.198 -5.152 -14.908 1.00 32.24 H new ATOM 0 HG SER A 9 10.254 -4.963 -16.157 1.00 32.31 H new ATOM 144 N CYS A 10 12.920 -5.800 -11.529 1.00 31.30 N ATOM 145 CA CYS A 10 13.534 -5.183 -10.359 1.00 0.04 C ATOM 146 C CYS A 10 15.030 -4.973 -10.576 1.00 71.24 C ATOM 147 O CYS A 10 15.652 -5.659 -11.386 1.00 63.40 O ATOM 148 CB CYS A 10 13.303 -6.048 -9.119 1.00 71.41 C ATOM 149 SG CYS A 10 14.287 -7.581 -9.088 1.00 71.51 S ATOM 0 H CYS A 10 13.457 -6.568 -11.931 1.00 31.30 H new ATOM 0 HA CYS A 10 13.067 -4.210 -10.206 1.00 0.04 H new ATOM 0 HB2 CYS A 10 13.537 -5.461 -8.231 1.00 71.41 H new ATOM 0 HB3 CYS A 10 12.246 -6.306 -9.061 1.00 71.41 H new ATOM 154 N VAL A 11 15.600 -4.021 -9.845 1.00 11.35 N ATOM 155 CA VAL A 11 17.023 -3.721 -9.955 1.00 21.30 C ATOM 156 C VAL A 11 17.798 -4.286 -8.770 1.00 12.42 C ATOM 157 O VAL A 11 17.256 -4.488 -7.682 1.00 64.05 O ATOM 158 CB VAL A 11 17.272 -2.204 -10.042 1.00 2.54 C ATOM 159 CG1 VAL A 11 16.844 -1.669 -11.399 1.00 1.43 C ATOM 160 CG2 VAL A 11 16.544 -1.481 -8.919 1.00 21.03 C ATOM 0 H VAL A 11 15.098 -3.444 -9.170 1.00 11.35 H new ATOM 0 HA VAL A 11 17.375 -4.192 -10.873 1.00 21.30 H new ATOM 0 HB VAL A 11 18.341 -2.021 -9.929 1.00 2.54 H new ATOM 0 HG11 VAL A 11 17.028 -0.595 -11.441 1.00 1.43 H new ATOM 0 HG12 VAL A 11 17.416 -2.166 -12.183 1.00 1.43 H new ATOM 0 HG13 VAL A 11 15.781 -1.861 -11.547 1.00 1.43 H new ATOM 0 HG21 VAL A 11 16.730 -0.410 -8.995 1.00 21.03 H new ATOM 0 HG22 VAL A 11 15.473 -1.670 -8.999 1.00 21.03 H new ATOM 0 HG23 VAL A 11 16.906 -1.845 -7.957 1.00 21.03 H new ATOM 170 N PRO A 12 19.096 -4.549 -8.981 1.00 12.43 N ATOM 171 CA PRO A 12 19.973 -5.092 -7.941 1.00 32.44 C ATOM 172 C PRO A 12 20.257 -4.082 -6.834 1.00 74.42 C ATOM 173 O PRO A 12 20.541 -2.916 -7.103 1.00 32.53 O ATOM 174 CB PRO A 12 21.259 -5.428 -8.701 1.00 14.43 C ATOM 175 CG PRO A 12 21.252 -4.514 -9.877 1.00 24.34 C ATOM 176 CD PRO A 12 19.807 -4.332 -10.252 1.00 32.14 C ATOM 0 HA PRO A 12 19.524 -5.947 -7.436 1.00 32.44 H new ATOM 0 HB2 PRO A 12 22.140 -5.267 -8.080 1.00 14.43 H new ATOM 0 HB3 PRO A 12 21.274 -6.473 -9.011 1.00 14.43 H new ATOM 0 HG2 PRO A 12 21.715 -3.558 -9.631 1.00 24.34 H new ATOM 0 HG3 PRO A 12 21.819 -4.939 -10.705 1.00 24.34 H new ATOM 0 HD2 PRO A 12 19.618 -3.336 -10.653 1.00 32.14 H new ATOM 0 HD3 PRO A 12 19.496 -5.047 -11.014 1.00 32.14 H new ATOM 184 N GLY A 13 20.177 -4.538 -5.587 1.00 4.33 N ATOM 185 CA GLY A 13 20.428 -3.661 -4.459 1.00 32.52 C ATOM 186 C GLY A 13 19.149 -3.117 -3.853 1.00 64.23 C ATOM 187 O GLY A 13 19.141 -2.661 -2.709 1.00 14.33 O ATOM 0 H GLY A 13 19.943 -5.499 -5.339 1.00 4.33 H new ATOM 0 HA2 GLY A 13 20.985 -4.205 -3.696 1.00 32.52 H new ATOM 0 HA3 GLY A 13 21.056 -2.830 -4.781 1.00 32.52 H new ATOM 191 N LYS A 14 18.065 -3.163 -4.620 1.00 0.04 N ATOM 192 CA LYS A 14 16.776 -2.670 -4.153 1.00 54.41 C ATOM 193 C LYS A 14 15.942 -3.803 -3.561 1.00 4.00 C ATOM 194 O LYS A 14 15.411 -3.683 -2.458 1.00 23.42 O ATOM 195 CB LYS A 14 16.012 -2.009 -5.303 1.00 54.03 C ATOM 196 CG LYS A 14 16.571 -0.655 -5.705 1.00 64.22 C ATOM 197 CD LYS A 14 15.496 0.238 -6.303 1.00 44.52 C ATOM 198 CE LYS A 14 16.095 1.478 -6.946 1.00 40.23 C ATOM 199 NZ LYS A 14 15.108 2.189 -7.806 1.00 23.42 N1+ ATOM 0 H LYS A 14 18.054 -3.537 -5.569 1.00 0.04 H new ATOM 0 HA LYS A 14 16.959 -1.930 -3.373 1.00 54.41 H new ATOM 0 HB2 LYS A 14 16.030 -2.672 -6.168 1.00 54.03 H new ATOM 0 HB3 LYS A 14 14.968 -1.890 -5.014 1.00 54.03 H new ATOM 0 HG2 LYS A 14 17.007 -0.167 -4.833 1.00 64.22 H new ATOM 0 HG3 LYS A 14 17.375 -0.793 -6.428 1.00 64.22 H new ATOM 0 HD2 LYS A 14 14.930 -0.322 -7.048 1.00 44.52 H new ATOM 0 HD3 LYS A 14 14.793 0.534 -5.524 1.00 44.52 H new ATOM 0 HE2 LYS A 14 16.452 2.153 -6.169 1.00 40.23 H new ATOM 0 HE3 LYS A 14 16.961 1.195 -7.545 1.00 40.23 H new ATOM 0 HZ1 LYS A 14 15.555 3.029 -8.226 1.00 23.42 H new ATOM 0 HZ2 LYS A 14 14.786 1.553 -8.563 1.00 23.42 H new ATOM 0 HZ3 LYS A 14 14.293 2.482 -7.230 1.00 23.42 H new ATOM 213 N ASN A 15 15.835 -4.902 -4.302 1.00 73.20 N ATOM 214 CA ASN A 15 15.068 -6.056 -3.848 1.00 14.34 C ATOM 215 C ASN A 15 13.620 -5.668 -3.563 1.00 64.14 C ATOM 216 O ASN A 15 13.083 -5.980 -2.501 1.00 51.44 O ATOM 217 CB ASN A 15 15.704 -6.656 -2.594 1.00 54.45 C ATOM 218 CG ASN A 15 17.004 -7.378 -2.893 1.00 41.41 C ATOM 219 OD1 ASN A 15 17.746 -6.994 -3.797 1.00 64.21 O ATOM 220 ND2 ASN A 15 17.285 -8.430 -2.132 1.00 32.42 N ATOM 0 H ASN A 15 16.269 -5.017 -5.218 1.00 73.20 H new ATOM 0 HA ASN A 15 15.076 -6.802 -4.643 1.00 14.34 H new ATOM 0 HB2 ASN A 15 15.890 -5.863 -1.870 1.00 54.45 H new ATOM 0 HB3 ASN A 15 15.003 -7.352 -2.132 1.00 54.45 H new ATOM 0 HD21 ASN A 15 18.146 -8.955 -2.286 1.00 32.42 H new ATOM 0 HD22 ASN A 15 16.640 -8.712 -1.394 1.00 32.42 H new ATOM 227 N GLU A 16 12.995 -4.989 -4.519 1.00 32.33 N ATOM 228 CA GLU A 16 11.610 -4.559 -4.370 1.00 13.41 C ATOM 229 C GLU A 16 10.683 -5.759 -4.202 1.00 64.50 C ATOM 230 O GLU A 16 9.601 -5.648 -3.624 1.00 74.33 O ATOM 231 CB GLU A 16 11.176 -3.731 -5.580 1.00 71.25 C ATOM 232 CG GLU A 16 11.747 -2.323 -5.591 1.00 14.43 C ATOM 233 CD GLU A 16 10.850 -1.324 -4.887 1.00 4.31 C ATOM 234 OE1 GLU A 16 9.692 -1.155 -5.324 1.00 53.21 O ATOM 235 OE2 GLU A 16 11.304 -0.711 -3.899 1.00 72.13 O1- ATOM 0 H GLU A 16 13.426 -4.725 -5.405 1.00 32.33 H new ATOM 0 HA GLU A 16 11.543 -3.942 -3.474 1.00 13.41 H new ATOM 0 HB2 GLU A 16 11.483 -4.246 -6.491 1.00 71.25 H new ATOM 0 HB3 GLU A 16 10.088 -3.673 -5.598 1.00 71.25 H new ATOM 0 HG2 GLU A 16 12.726 -2.328 -5.111 1.00 14.43 H new ATOM 0 HG3 GLU A 16 11.899 -2.005 -6.622 1.00 14.43 H new ATOM 242 N CYS A 17 11.115 -6.909 -4.711 1.00 11.40 N ATOM 243 CA CYS A 17 10.325 -8.131 -4.620 1.00 22.31 C ATOM 244 C CYS A 17 9.895 -8.394 -3.180 1.00 74.41 C ATOM 245 O CYS A 17 10.549 -7.952 -2.234 1.00 72.35 O ATOM 246 CB CYS A 17 11.127 -9.321 -5.150 1.00 4.44 C ATOM 247 SG CYS A 17 11.745 -9.103 -6.849 1.00 32.42 S ATOM 0 H CYS A 17 12.008 -7.020 -5.191 1.00 11.40 H new ATOM 0 HA CYS A 17 9.431 -8.003 -5.230 1.00 22.31 H new ATOM 0 HB2 CYS A 17 11.974 -9.499 -4.487 1.00 4.44 H new ATOM 0 HB3 CYS A 17 10.501 -10.212 -5.114 1.00 4.44 H new ATOM 252 N CYS A 18 8.792 -9.118 -3.020 1.00 55.14 N ATOM 253 CA CYS A 18 8.273 -9.440 -1.697 1.00 24.25 C ATOM 254 C CYS A 18 9.259 -10.311 -0.923 1.00 71.35 C ATOM 255 O CYS A 18 10.148 -10.929 -1.508 1.00 42.53 O ATOM 256 CB CYS A 18 6.927 -10.158 -1.816 1.00 74.34 C ATOM 257 SG CYS A 18 5.676 -9.238 -2.768 1.00 70.23 S ATOM 0 H CYS A 18 8.240 -9.493 -3.792 1.00 55.14 H new ATOM 0 HA CYS A 18 8.133 -8.507 -1.152 1.00 24.25 H new ATOM 0 HB2 CYS A 18 7.085 -11.128 -2.287 1.00 74.34 H new ATOM 0 HB3 CYS A 18 6.539 -10.349 -0.815 1.00 74.34 H new ATOM 262 N SER A 19 9.095 -10.354 0.394 1.00 22.25 N ATOM 263 CA SER A 19 9.973 -11.145 1.249 1.00 43.45 C ATOM 264 C SER A 19 10.035 -12.593 0.771 1.00 70.33 C ATOM 265 O SER A 19 9.007 -13.222 0.525 1.00 11.24 O ATOM 266 CB SER A 19 9.488 -11.095 2.700 1.00 33.12 C ATOM 267 OG SER A 19 10.523 -11.460 3.596 1.00 24.23 O ATOM 0 H SER A 19 8.362 -9.850 0.893 1.00 22.25 H new ATOM 0 HA SER A 19 10.975 -10.719 1.194 1.00 43.45 H new ATOM 0 HB2 SER A 19 9.137 -10.090 2.935 1.00 33.12 H new ATOM 0 HB3 SER A 19 8.639 -11.767 2.827 1.00 33.12 H new ATOM 0 HG SER A 19 10.189 -11.419 4.516 1.00 24.23 H new ATOM 273 N GLY A 20 11.251 -13.114 0.642 1.00 54.32 N ATOM 274 CA GLY A 20 11.427 -14.484 0.193 1.00 63.31 C ATOM 275 C GLY A 20 11.898 -14.567 -1.245 1.00 44.33 C ATOM 276 O GLY A 20 12.452 -15.582 -1.666 1.00 41.02 O ATOM 0 H GLY A 20 12.117 -12.613 0.840 1.00 54.32 H new ATOM 0 HA2 GLY A 20 12.149 -14.984 0.838 1.00 63.31 H new ATOM 0 HA3 GLY A 20 10.484 -15.020 0.295 1.00 63.31 H new ATOM 280 N TYR A 21 11.675 -13.498 -2.001 1.00 22.43 N ATOM 281 CA TYR A 21 12.075 -13.456 -3.403 1.00 33.31 C ATOM 282 C TYR A 21 13.441 -12.793 -3.559 1.00 73.24 C ATOM 283 O TYR A 21 13.796 -11.894 -2.799 1.00 45.31 O ATOM 284 CB TYR A 21 11.033 -12.703 -4.230 1.00 52.44 C ATOM 285 CG TYR A 21 9.702 -13.415 -4.322 1.00 32.41 C ATOM 286 CD1 TYR A 21 8.876 -13.529 -3.211 1.00 11.45 C ATOM 287 CD2 TYR A 21 9.271 -13.975 -5.517 1.00 74.25 C ATOM 288 CE1 TYR A 21 7.659 -14.179 -3.288 1.00 3.33 C ATOM 289 CE2 TYR A 21 8.056 -14.626 -5.605 1.00 54.23 C ATOM 290 CZ TYR A 21 7.254 -14.726 -4.488 1.00 12.33 C ATOM 291 OH TYR A 21 6.043 -15.375 -4.571 1.00 53.32 O ATOM 0 H TYR A 21 11.219 -12.649 -1.667 1.00 22.43 H new ATOM 0 HA TYR A 21 12.145 -14.481 -3.766 1.00 33.31 H new ATOM 0 HB2 TYR A 21 10.878 -11.717 -3.793 1.00 52.44 H new ATOM 0 HB3 TYR A 21 11.423 -12.548 -5.236 1.00 52.44 H new ATOM 0 HD1 TYR A 21 9.191 -13.102 -2.270 1.00 11.45 H new ATOM 0 HD2 TYR A 21 9.897 -13.900 -6.394 1.00 74.25 H new ATOM 0 HE1 TYR A 21 7.029 -14.258 -2.414 1.00 3.33 H new ATOM 0 HE2 TYR A 21 7.736 -15.054 -6.543 1.00 54.23 H new ATOM 0 HH TYR A 21 5.908 -15.701 -5.485 1.00 53.32 H new ATOM 301 N ALA A 22 14.200 -13.246 -4.550 1.00 51.33 N ATOM 302 CA ALA A 22 15.525 -12.696 -4.810 1.00 3.12 C ATOM 303 C ALA A 22 15.542 -11.891 -6.104 1.00 1.44 C ATOM 304 O ALA A 22 14.611 -11.967 -6.907 1.00 35.51 O ATOM 305 CB ALA A 22 16.557 -13.813 -4.868 1.00 41.01 C ATOM 0 H ALA A 22 13.921 -13.992 -5.186 1.00 51.33 H new ATOM 0 HA ALA A 22 15.779 -12.023 -3.991 1.00 3.12 H new ATOM 0 HB1 ALA A 22 17.542 -13.389 -5.063 1.00 41.01 H new ATOM 0 HB2 ALA A 22 16.572 -14.344 -3.916 1.00 41.01 H new ATOM 0 HB3 ALA A 22 16.297 -14.508 -5.667 1.00 41.01 H new ATOM 311 N CYS A 23 16.605 -11.118 -6.302 1.00 21.01 N ATOM 312 CA CYS A 23 16.743 -10.296 -7.498 1.00 23.22 C ATOM 313 C CYS A 23 17.939 -10.747 -8.331 1.00 64.21 C ATOM 314 O CYS A 23 19.015 -11.014 -7.798 1.00 75.42 O ATOM 315 CB CYS A 23 16.899 -8.823 -7.116 1.00 63.31 C ATOM 316 SG CYS A 23 15.372 -7.845 -7.287 1.00 53.32 S ATOM 0 H CYS A 23 17.384 -11.044 -5.648 1.00 21.01 H new ATOM 0 HA CYS A 23 15.840 -10.414 -8.096 1.00 23.22 H new ATOM 0 HB2 CYS A 23 17.244 -8.761 -6.084 1.00 63.31 H new ATOM 0 HB3 CYS A 23 17.675 -8.377 -7.739 1.00 63.31 H new ATOM 321 N SER A 24 17.743 -10.827 -9.643 1.00 62.22 N ATOM 322 CA SER A 24 18.803 -11.248 -10.552 1.00 42.32 C ATOM 323 C SER A 24 19.140 -10.139 -11.544 1.00 4.53 C ATOM 324 O SER A 24 18.341 -9.812 -12.421 1.00 35.33 O ATOM 325 CB SER A 24 18.386 -12.512 -11.305 1.00 23.52 C ATOM 326 OG SER A 24 19.383 -13.515 -11.207 1.00 60.13 O ATOM 0 H SER A 24 16.859 -10.606 -10.101 1.00 62.22 H new ATOM 0 HA SER A 24 19.692 -11.464 -9.959 1.00 42.32 H new ATOM 0 HB2 SER A 24 17.446 -12.888 -10.900 1.00 23.52 H new ATOM 0 HB3 SER A 24 18.208 -12.273 -12.353 1.00 23.52 H new ATOM 0 HG SER A 24 19.093 -14.314 -11.695 1.00 60.13 H new ATOM 332 N SER A 25 20.330 -9.564 -11.398 1.00 53.21 N ATOM 333 CA SER A 25 20.773 -8.489 -12.278 1.00 62.51 C ATOM 334 C SER A 25 21.081 -9.022 -13.674 1.00 52.10 C ATOM 335 O SER A 25 21.081 -8.272 -14.650 1.00 0.11 O ATOM 336 CB SER A 25 22.010 -7.802 -11.696 1.00 3.21 C ATOM 337 OG SER A 25 22.752 -8.693 -10.881 1.00 24.10 O ATOM 0 H SER A 25 21.004 -9.825 -10.679 1.00 53.21 H new ATOM 0 HA SER A 25 19.966 -7.761 -12.357 1.00 62.51 H new ATOM 0 HB2 SER A 25 22.640 -7.434 -12.506 1.00 3.21 H new ATOM 0 HB3 SER A 25 21.706 -6.935 -11.109 1.00 3.21 H new ATOM 0 HG SER A 25 23.538 -8.231 -10.522 1.00 24.10 H new ATOM 343 N ARG A 26 21.344 -10.322 -13.759 1.00 62.31 N ATOM 344 CA ARG A 26 21.655 -10.956 -15.034 1.00 24.03 C ATOM 345 C ARG A 26 20.584 -10.641 -16.074 1.00 71.54 C ATOM 346 O ARG A 26 20.894 -10.262 -17.204 1.00 33.12 O ATOM 347 CB ARG A 26 21.780 -12.471 -14.858 1.00 32.33 C ATOM 348 CG ARG A 26 23.018 -13.060 -15.513 1.00 34.31 C ATOM 349 CD ARG A 26 23.028 -12.810 -17.012 1.00 74.15 C ATOM 350 NE ARG A 26 24.234 -13.336 -17.648 1.00 34.12 N ATOM 351 CZ ARG A 26 24.482 -13.237 -18.948 1.00 62.23 C ATOM 352 NH1 ARG A 26 23.614 -12.635 -19.749 1.00 4.20 N1+ ATOM 353 NH2 ARG A 26 25.602 -13.741 -19.452 1.00 25.53 N ATOM 0 H ARG A 26 21.348 -10.956 -12.960 1.00 62.31 H new ATOM 0 HA ARG A 26 22.607 -10.558 -15.386 1.00 24.03 H new ATOM 0 HB2 ARG A 26 21.797 -12.704 -13.793 1.00 32.33 H new ATOM 0 HB3 ARG A 26 20.895 -12.951 -15.276 1.00 32.33 H new ATOM 0 HG2 ARG A 26 23.911 -12.624 -15.064 1.00 34.31 H new ATOM 0 HG3 ARG A 26 23.057 -14.132 -15.322 1.00 34.31 H new ATOM 0 HD2 ARG A 26 22.150 -13.273 -17.462 1.00 74.15 H new ATOM 0 HD3 ARG A 26 22.956 -11.739 -17.201 1.00 74.15 H new ATOM 0 HE ARG A 26 24.923 -13.805 -17.060 1.00 34.12 H new ATOM 0 HH11 ARG A 26 22.752 -12.246 -19.367 1.00 4.20 H new ATOM 0 HH12 ARG A 26 23.808 -12.561 -20.748 1.00 4.20 H new ATOM 0 HH21 ARG A 26 26.273 -14.205 -18.840 1.00 25.53 H new ATOM 0 HH22 ARG A 26 25.791 -13.664 -20.451 1.00 25.53 H new ATOM 367 N ASP A 27 19.324 -10.802 -15.686 1.00 53.53 N ATOM 368 CA ASP A 27 18.206 -10.534 -16.583 1.00 64.32 C ATOM 369 C ASP A 27 17.362 -9.373 -16.069 1.00 51.53 C ATOM 370 O ASP A 27 16.389 -8.968 -16.706 1.00 70.30 O ATOM 371 CB ASP A 27 17.337 -11.784 -16.737 1.00 24.43 C ATOM 372 CG ASP A 27 17.448 -12.401 -18.118 1.00 71.42 C ATOM 373 OD1 ASP A 27 18.545 -12.331 -18.711 1.00 61.54 O ATOM 374 OD2 ASP A 27 16.440 -12.952 -18.605 1.00 34.43 O1- ATOM 0 H ASP A 27 19.051 -11.117 -14.755 1.00 53.53 H new ATOM 0 HA ASP A 27 18.612 -10.260 -17.557 1.00 64.32 H new ATOM 0 HB2 ASP A 27 17.630 -12.521 -15.989 1.00 24.43 H new ATOM 0 HB3 ASP A 27 16.296 -11.526 -16.540 1.00 24.43 H new ATOM 379 N LYS A 28 17.740 -8.841 -14.912 1.00 24.22 N ATOM 380 CA LYS A 28 17.019 -7.725 -14.311 1.00 42.13 C ATOM 381 C LYS A 28 15.560 -8.093 -14.058 1.00 72.43 C ATOM 382 O LYS A 28 14.649 -7.381 -14.478 1.00 12.12 O ATOM 383 CB LYS A 28 17.096 -6.494 -15.217 1.00 42.20 C ATOM 384 CG LYS A 28 18.388 -5.710 -15.070 1.00 61.11 C ATOM 385 CD LYS A 28 18.318 -4.378 -15.798 1.00 63.24 C ATOM 386 CE LYS A 28 17.436 -3.384 -15.059 1.00 34.52 C ATOM 387 NZ LYS A 28 17.478 -2.033 -15.684 1.00 25.10 N1+ ATOM 0 H LYS A 28 18.542 -9.165 -14.371 1.00 24.22 H new ATOM 0 HA LYS A 28 17.488 -7.494 -13.355 1.00 42.13 H new ATOM 0 HB2 LYS A 28 16.989 -6.810 -16.255 1.00 42.20 H new ATOM 0 HB3 LYS A 28 16.255 -5.837 -14.995 1.00 42.20 H new ATOM 0 HG2 LYS A 28 18.592 -5.538 -14.013 1.00 61.11 H new ATOM 0 HG3 LYS A 28 19.218 -6.297 -15.463 1.00 61.11 H new ATOM 0 HD2 LYS A 28 19.322 -3.967 -15.903 1.00 63.24 H new ATOM 0 HD3 LYS A 28 17.929 -4.532 -16.805 1.00 63.24 H new ATOM 0 HE2 LYS A 28 16.409 -3.748 -15.049 1.00 34.52 H new ATOM 0 HE3 LYS A 28 17.759 -3.314 -14.020 1.00 34.52 H new ATOM 0 HZ1 LYS A 28 16.864 -1.385 -15.151 1.00 25.10 H new ATOM 0 HZ2 LYS A 28 18.454 -1.675 -15.671 1.00 25.10 H new ATOM 0 HZ3 LYS A 28 17.145 -2.095 -16.667 1.00 25.10 H new ATOM 401 N TRP A 29 15.348 -9.208 -13.367 1.00 31.41 N ATOM 402 CA TRP A 29 13.999 -9.668 -13.056 1.00 42.43 C ATOM 403 C TRP A 29 13.912 -10.166 -11.618 1.00 31.51 C ATOM 404 O TRP A 29 14.871 -10.058 -10.854 1.00 3.13 O ATOM 405 CB TRP A 29 13.584 -10.781 -14.020 1.00 32.13 C ATOM 406 CG TRP A 29 14.572 -11.906 -14.089 1.00 73.24 C ATOM 407 CD1 TRP A 29 15.565 -12.181 -13.193 1.00 40.14 C ATOM 408 CD2 TRP A 29 14.662 -12.906 -15.111 1.00 44.13 C ATOM 409 NE1 TRP A 29 16.268 -13.291 -13.595 1.00 31.43 N ATOM 410 CE2 TRP A 29 15.733 -13.755 -14.768 1.00 72.32 C ATOM 411 CE3 TRP A 29 13.943 -13.167 -16.279 1.00 30.31 C ATOM 412 CZ2 TRP A 29 16.100 -14.844 -15.555 1.00 63.02 C ATOM 413 CZ3 TRP A 29 14.308 -14.248 -17.059 1.00 21.22 C ATOM 414 CH2 TRP A 29 15.377 -15.076 -16.693 1.00 64.04 C ATOM 0 H TRP A 29 16.092 -9.809 -13.012 1.00 31.41 H new ATOM 0 HA TRP A 29 13.318 -8.824 -13.170 1.00 42.43 H new ATOM 0 HB2 TRP A 29 12.616 -11.176 -13.713 1.00 32.13 H new ATOM 0 HB3 TRP A 29 13.454 -10.359 -15.017 1.00 32.13 H new ATOM 0 HD1 TRP A 29 15.768 -11.610 -12.299 1.00 40.14 H new ATOM 0 HE1 TRP A 29 17.059 -13.703 -13.101 1.00 31.43 H new ATOM 0 HE3 TRP A 29 13.116 -12.535 -16.568 1.00 30.31 H new ATOM 0 HZ2 TRP A 29 16.926 -15.482 -15.277 1.00 63.02 H new ATOM 0 HZ3 TRP A 29 13.760 -14.458 -17.966 1.00 21.22 H new ATOM 0 HH2 TRP A 29 15.636 -15.915 -17.322 1.00 64.04 H new ATOM 425 N CYS A 30 12.755 -10.710 -11.254 1.00 44.54 N ATOM 426 CA CYS A 30 12.542 -11.224 -9.907 1.00 1.53 C ATOM 427 C CYS A 30 12.804 -12.727 -9.850 1.00 31.32 C ATOM 428 O CYS A 30 12.903 -13.390 -10.882 1.00 74.25 O ATOM 429 CB CYS A 30 11.114 -10.927 -9.445 1.00 64.32 C ATOM 430 SG CYS A 30 10.915 -9.303 -8.644 1.00 55.01 S ATOM 0 H CYS A 30 11.951 -10.806 -11.874 1.00 44.54 H new ATOM 0 HA CYS A 30 13.244 -10.725 -9.240 1.00 1.53 H new ATOM 0 HB2 CYS A 30 10.447 -10.980 -10.305 1.00 64.32 H new ATOM 0 HB3 CYS A 30 10.799 -11.705 -8.749 1.00 64.32 H new ATOM 435 N LYS A 31 12.916 -13.256 -8.636 1.00 1.34 N ATOM 436 CA LYS A 31 13.165 -14.680 -8.443 1.00 53.31 C ATOM 437 C LYS A 31 12.381 -15.212 -7.247 1.00 30.41 C ATOM 438 O LYS A 31 12.123 -14.484 -6.288 1.00 2.12 O ATOM 439 CB LYS A 31 14.661 -14.934 -8.240 1.00 64.22 C ATOM 440 CG LYS A 31 15.539 -14.266 -9.284 1.00 62.34 C ATOM 441 CD LYS A 31 15.366 -14.908 -10.650 1.00 21.52 C ATOM 442 CE LYS A 31 16.546 -15.802 -11.000 1.00 41.12 C ATOM 443 NZ LYS A 31 16.266 -17.232 -10.698 1.00 11.43 N1+ ATOM 0 H LYS A 31 12.838 -12.720 -7.771 1.00 1.34 H new ATOM 0 HA LYS A 31 12.831 -15.207 -9.337 1.00 53.31 H new ATOM 0 HB2 LYS A 31 14.951 -14.577 -7.252 1.00 64.22 H new ATOM 0 HB3 LYS A 31 14.844 -16.008 -8.257 1.00 64.22 H new ATOM 0 HG2 LYS A 31 15.292 -13.206 -9.345 1.00 62.34 H new ATOM 0 HG3 LYS A 31 16.583 -14.332 -8.979 1.00 62.34 H new ATOM 0 HD2 LYS A 31 14.447 -15.495 -10.664 1.00 21.52 H new ATOM 0 HD3 LYS A 31 15.260 -14.131 -11.407 1.00 21.52 H new ATOM 0 HE2 LYS A 31 16.782 -15.694 -12.059 1.00 41.12 H new ATOM 0 HE3 LYS A 31 17.425 -15.478 -10.442 1.00 41.12 H new ATOM 0 HZ1 LYS A 31 17.094 -17.809 -10.950 1.00 11.43 H new ATOM 0 HZ2 LYS A 31 16.065 -17.340 -9.683 1.00 11.43 H new ATOM 0 HZ3 LYS A 31 15.443 -17.548 -11.249 1.00 11.43 H new ATOM 457 N VAL A 32 12.006 -16.485 -7.311 1.00 34.04 N ATOM 458 CA VAL A 32 11.253 -17.115 -6.232 1.00 65.25 C ATOM 459 C VAL A 32 11.892 -18.435 -5.815 1.00 2.32 C ATOM 460 O VAL A 32 12.224 -19.271 -6.658 1.00 22.20 O ATOM 461 CB VAL A 32 9.792 -17.371 -6.642 1.00 73.43 C ATOM 462 CG1 VAL A 32 9.728 -18.348 -7.807 1.00 11.10 C ATOM 463 CG2 VAL A 32 8.989 -17.887 -5.458 1.00 60.31 C ATOM 0 H VAL A 32 12.211 -17.101 -8.098 1.00 34.04 H new ATOM 0 HA VAL A 32 11.269 -16.424 -5.389 1.00 65.25 H new ATOM 0 HB VAL A 32 9.353 -16.427 -6.966 1.00 73.43 H new ATOM 0 HG11 VAL A 32 8.687 -18.517 -8.083 1.00 11.10 H new ATOM 0 HG12 VAL A 32 10.267 -17.934 -8.659 1.00 11.10 H new ATOM 0 HG13 VAL A 32 10.184 -19.294 -7.514 1.00 11.10 H new ATOM 0 HG21 VAL A 32 7.958 -18.063 -5.766 1.00 60.31 H new ATOM 0 HG22 VAL A 32 9.425 -18.820 -5.102 1.00 60.31 H new ATOM 0 HG23 VAL A 32 9.007 -17.149 -4.656 1.00 60.31 H new ATOM 473 N LEU A 33 12.060 -18.619 -4.510 1.00 35.50 N ATOM 474 CA LEU A 33 12.659 -19.839 -3.980 1.00 75.13 C ATOM 475 C LEU A 33 11.762 -21.044 -4.244 1.00 13.13 C ATOM 476 O LEU A 33 10.551 -20.990 -4.028 1.00 43.41 O ATOM 477 CB LEU A 33 12.911 -19.695 -2.478 1.00 4.12 C ATOM 478 CG LEU A 33 13.698 -18.459 -2.043 1.00 42.40 C ATOM 479 CD1 LEU A 33 13.392 -18.113 -0.594 1.00 61.02 C ATOM 480 CD2 LEU A 33 15.191 -18.682 -2.237 1.00 62.44 C ATOM 0 H LEU A 33 11.790 -17.939 -3.799 1.00 35.50 H new ATOM 0 HA LEU A 33 13.610 -19.999 -4.488 1.00 75.13 H new ATOM 0 HB2 LEU A 33 11.948 -19.685 -1.968 1.00 4.12 H new ATOM 0 HB3 LEU A 33 13.445 -20.580 -2.133 1.00 4.12 H new ATOM 0 HG LEU A 33 13.392 -17.619 -2.667 1.00 42.40 H new ATOM 0 HD11 LEU A 33 13.962 -17.231 -0.303 1.00 61.02 H new ATOM 0 HD12 LEU A 33 12.327 -17.909 -0.486 1.00 61.02 H new ATOM 0 HD13 LEU A 33 13.668 -18.951 0.046 1.00 61.02 H new ATOM 0 HD21 LEU A 33 15.736 -17.792 -1.922 1.00 62.44 H new ATOM 0 HD22 LEU A 33 15.512 -19.535 -1.639 1.00 62.44 H new ATOM 0 HD23 LEU A 33 15.396 -18.879 -3.289 1.00 62.44 H new ATOM 492 N LEU A 34 12.365 -22.131 -4.711 1.00 44.45 N ATOM 493 CA LEU A 34 11.622 -23.353 -5.003 1.00 44.30 C ATOM 494 C LEU A 34 10.964 -23.905 -3.742 1.00 65.04 C ATOM 495 O LEU A 34 11.272 -23.475 -2.630 1.00 62.12 O ATOM 496 CB LEU A 34 12.550 -24.406 -5.610 1.00 14.40 C ATOM 497 CG LEU A 34 13.395 -25.208 -4.619 1.00 53.30 C ATOM 498 CD1 LEU A 34 14.171 -26.299 -5.340 1.00 21.23 C ATOM 499 CD2 LEU A 34 14.342 -24.290 -3.860 1.00 1.13 C ATOM 0 H LEU A 34 13.366 -22.192 -4.896 1.00 44.45 H new ATOM 0 HA LEU A 34 10.840 -23.109 -5.722 1.00 44.30 H new ATOM 0 HB2 LEU A 34 11.945 -25.104 -6.189 1.00 14.40 H new ATOM 0 HB3 LEU A 34 13.221 -23.909 -6.310 1.00 14.40 H new ATOM 0 HG LEU A 34 12.726 -25.681 -3.900 1.00 53.30 H new ATOM 0 HD11 LEU A 34 14.766 -26.859 -4.619 1.00 21.23 H new ATOM 0 HD12 LEU A 34 13.474 -26.974 -5.837 1.00 21.23 H new ATOM 0 HD13 LEU A 34 14.830 -25.847 -6.082 1.00 21.23 H new ATOM 0 HD21 LEU A 34 14.935 -24.878 -3.160 1.00 1.13 H new ATOM 0 HD22 LEU A 34 15.005 -23.788 -4.565 1.00 1.13 H new ATOM 0 HD23 LEU A 34 13.765 -23.546 -3.311 1.00 1.13 H new TER 511 LEU A 34