USER MOD reduce.3.24.130724 H: found=0, std=0, add=243, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 244 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 12 ASN : amide:sc= -1.21 K(o=-1.2,f=-5.1!) USER MOD Set 1.2: A 14 ASN : amide:sc= -0.0327 K(o=-1.2,f=-8.6!) USER MOD Single : A 5 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0727) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -119:sc= -0.462 (180deg=-1.94!) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0227 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -150:sc= -0.174 USER MOD Single : A 24 SER OG : rot -42:sc= 0.0075 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0905 USER MOD ----------------------------------------------------------------- ATOM 12 N GLU A 2 2.284 -1.317 -3.274 1.00 41.25 N ATOM 13 CA GLU A 2 2.144 -2.511 -4.100 1.00 73.01 C ATOM 14 C GLU A 2 3.501 -3.165 -4.346 1.00 11.12 C ATOM 15 O GLU A 2 4.541 -2.627 -3.965 1.00 60.40 O ATOM 16 CB GLU A 2 1.485 -2.160 -5.435 1.00 23.35 C ATOM 17 CG GLU A 2 0.477 -3.194 -5.907 1.00 11.21 C ATOM 18 CD GLU A 2 -0.658 -2.580 -6.703 1.00 4.33 C ATOM 19 OE1 GLU A 2 -0.480 -2.359 -7.919 1.00 33.02 O ATOM 20 OE2 GLU A 2 -1.726 -2.321 -6.110 1.00 41.33 O1- ATOM 0 HA GLU A 2 1.511 -3.219 -3.566 1.00 73.01 H new ATOM 0 HB2 GLU A 2 0.986 -1.195 -5.342 1.00 23.35 H new ATOM 0 HB3 GLU A 2 2.259 -2.047 -6.194 1.00 23.35 H new ATOM 0 HG2 GLU A 2 0.985 -3.938 -6.520 1.00 11.21 H new ATOM 0 HG3 GLU A 2 0.068 -3.718 -5.043 1.00 11.21 H new ATOM 27 N CYS A 3 3.482 -4.329 -4.986 1.00 42.14 N ATOM 28 CA CYS A 3 4.709 -5.059 -5.283 1.00 42.15 C ATOM 29 C CYS A 3 4.754 -5.474 -6.751 1.00 30.34 C ATOM 30 O CYS A 3 3.861 -5.138 -7.529 1.00 64.22 O ATOM 31 CB CYS A 3 4.821 -6.295 -4.389 1.00 34.30 C ATOM 32 SG CYS A 3 3.295 -7.286 -4.295 1.00 72.02 S ATOM 0 H CYS A 3 2.630 -4.787 -5.309 1.00 42.14 H new ATOM 0 HA CYS A 3 5.552 -4.397 -5.085 1.00 42.15 H new ATOM 0 HB2 CYS A 3 5.629 -6.926 -4.759 1.00 34.30 H new ATOM 0 HB3 CYS A 3 5.099 -5.979 -3.383 1.00 34.30 H new ATOM 37 N GLY A 4 5.800 -6.205 -7.122 1.00 4.44 N ATOM 38 CA GLY A 4 5.942 -6.653 -8.495 1.00 13.42 C ATOM 39 C GLY A 4 4.850 -7.622 -8.904 1.00 43.02 C ATOM 40 O GLY A 4 3.755 -7.610 -8.341 1.00 51.20 O ATOM 0 H GLY A 4 6.552 -6.495 -6.497 1.00 4.44 H new ATOM 0 HA2 GLY A 4 5.925 -5.789 -9.160 1.00 13.42 H new ATOM 0 HA3 GLY A 4 6.913 -7.131 -8.619 1.00 13.42 H new ATOM 44 N LYS A 5 5.146 -8.463 -9.889 1.00 14.14 N ATOM 45 CA LYS A 5 4.182 -9.442 -10.375 1.00 71.53 C ATOM 46 C LYS A 5 4.843 -10.426 -11.336 1.00 3.13 C ATOM 47 O LYS A 5 5.999 -10.251 -11.721 1.00 70.30 O ATOM 48 CB LYS A 5 3.015 -8.739 -11.072 1.00 45.22 C ATOM 49 CG LYS A 5 1.652 -9.171 -10.560 1.00 15.10 C ATOM 50 CD LYS A 5 0.585 -9.036 -11.633 1.00 72.00 C ATOM 51 CE LYS A 5 -0.441 -7.974 -11.270 1.00 3.34 C ATOM 52 NZ LYS A 5 -1.477 -7.817 -12.328 1.00 33.12 N1+ ATOM 0 H LYS A 5 6.047 -8.486 -10.367 1.00 14.14 H new ATOM 0 HA LYS A 5 3.803 -9.997 -9.517 1.00 71.53 H new ATOM 0 HB2 LYS A 5 3.119 -7.662 -10.940 1.00 45.22 H new ATOM 0 HB3 LYS A 5 3.071 -8.935 -12.143 1.00 45.22 H new ATOM 0 HG2 LYS A 5 1.701 -10.206 -10.222 1.00 15.10 H new ATOM 0 HG3 LYS A 5 1.379 -8.566 -9.696 1.00 15.10 H new ATOM 0 HD2 LYS A 5 1.054 -8.780 -12.583 1.00 72.00 H new ATOM 0 HD3 LYS A 5 0.084 -9.994 -11.772 1.00 72.00 H new ATOM 0 HE2 LYS A 5 -0.921 -8.240 -10.328 1.00 3.34 H new ATOM 0 HE3 LYS A 5 0.064 -7.021 -11.112 1.00 3.34 H new ATOM 0 HZ1 LYS A 5 -2.044 -6.967 -12.135 1.00 33.12 H new ATOM 0 HZ2 LYS A 5 -1.015 -7.723 -13.255 1.00 33.12 H new ATOM 0 HZ3 LYS A 5 -2.097 -8.652 -12.334 1.00 33.12 H new ATOM 66 N PHE A 6 4.101 -11.458 -11.722 1.00 1.44 N ATOM 67 CA PHE A 6 4.615 -12.469 -12.639 1.00 43.32 C ATOM 68 C PHE A 6 4.674 -11.930 -14.065 1.00 62.05 C ATOM 69 O PHE A 6 3.798 -11.177 -14.492 1.00 70.24 O ATOM 70 CB PHE A 6 3.740 -13.724 -12.592 1.00 24.12 C ATOM 71 CG PHE A 6 4.085 -14.735 -13.648 1.00 13.53 C ATOM 72 CD1 PHE A 6 5.381 -15.209 -13.773 1.00 75.24 C ATOM 73 CD2 PHE A 6 3.114 -15.213 -14.512 1.00 30.22 C ATOM 74 CE1 PHE A 6 5.702 -16.139 -14.744 1.00 25.35 C ATOM 75 CE2 PHE A 6 3.428 -16.143 -15.485 1.00 72.54 C ATOM 76 CZ PHE A 6 4.724 -16.608 -15.600 1.00 32.12 C ATOM 0 H PHE A 6 3.142 -11.617 -11.414 1.00 1.44 H new ATOM 0 HA PHE A 6 5.626 -12.728 -12.325 1.00 43.32 H new ATOM 0 HB2 PHE A 6 3.837 -14.188 -11.611 1.00 24.12 H new ATOM 0 HB3 PHE A 6 2.696 -13.434 -12.706 1.00 24.12 H new ATOM 0 HD1 PHE A 6 6.149 -14.848 -13.105 1.00 75.24 H new ATOM 0 HD2 PHE A 6 2.099 -14.855 -14.424 1.00 30.22 H new ATOM 0 HE1 PHE A 6 6.716 -16.499 -14.833 1.00 25.35 H new ATOM 0 HE2 PHE A 6 2.662 -16.506 -16.154 1.00 72.54 H new ATOM 0 HZ PHE A 6 4.972 -17.337 -16.358 1.00 32.12 H new ATOM 86 N MET A 7 5.712 -12.321 -14.797 1.00 43.35 N ATOM 87 CA MET A 7 5.885 -11.878 -16.176 1.00 21.13 C ATOM 88 C MET A 7 6.042 -10.362 -16.244 1.00 62.32 C ATOM 89 O MET A 7 5.821 -9.752 -17.291 1.00 44.50 O ATOM 90 CB MET A 7 4.694 -12.318 -17.029 1.00 61.22 C ATOM 91 CG MET A 7 4.951 -13.587 -17.823 1.00 50.33 C ATOM 92 SD MET A 7 3.713 -13.867 -19.105 1.00 74.33 S ATOM 93 CE MET A 7 4.750 -13.954 -20.563 1.00 44.25 C ATOM 0 H MET A 7 6.446 -12.943 -14.459 1.00 43.35 H new ATOM 0 HA MET A 7 6.792 -12.338 -16.568 1.00 21.13 H new ATOM 0 HB2 MET A 7 3.831 -12.473 -16.381 1.00 61.22 H new ATOM 0 HB3 MET A 7 4.435 -11.514 -17.718 1.00 61.22 H new ATOM 0 HG2 MET A 7 5.938 -13.530 -18.282 1.00 50.33 H new ATOM 0 HG3 MET A 7 4.964 -14.439 -17.144 1.00 50.33 H new ATOM 0 HE1 MET A 7 4.128 -14.124 -21.442 1.00 44.25 H new ATOM 0 HE2 MET A 7 5.294 -13.016 -20.679 1.00 44.25 H new ATOM 0 HE3 MET A 7 5.460 -14.774 -20.456 1.00 44.25 H new ATOM 103 N TRP A 8 6.424 -9.761 -15.123 1.00 34.43 N ATOM 104 CA TRP A 8 6.610 -8.315 -15.057 1.00 22.41 C ATOM 105 C TRP A 8 8.091 -7.958 -15.017 1.00 34.33 C ATOM 106 O TRP A 8 8.850 -8.499 -14.212 1.00 51.25 O ATOM 107 CB TRP A 8 5.903 -7.746 -13.826 1.00 44.33 C ATOM 108 CG TRP A 8 4.426 -7.578 -14.014 1.00 72.12 C ATOM 109 CD1 TRP A 8 3.616 -8.308 -14.836 1.00 44.44 C ATOM 110 CD2 TRP A 8 3.582 -6.618 -13.366 1.00 51.33 C ATOM 111 NE1 TRP A 8 2.320 -7.859 -14.740 1.00 14.23 N ATOM 112 CE2 TRP A 8 2.273 -6.824 -13.844 1.00 53.53 C ATOM 113 CE3 TRP A 8 3.807 -5.606 -12.429 1.00 73.15 C ATOM 114 CZ2 TRP A 8 1.196 -6.054 -13.416 1.00 54.31 C ATOM 115 CZ3 TRP A 8 2.735 -4.844 -12.004 1.00 13.31 C ATOM 116 CH2 TRP A 8 1.443 -5.070 -12.497 1.00 23.11 C ATOM 0 H TRP A 8 6.611 -10.251 -14.248 1.00 34.43 H new ATOM 0 HA TRP A 8 6.174 -7.876 -15.954 1.00 22.41 H new ATOM 0 HB2 TRP A 8 6.081 -8.405 -12.976 1.00 44.33 H new ATOM 0 HB3 TRP A 8 6.343 -6.780 -13.578 1.00 44.33 H new ATOM 0 HD1 TRP A 8 3.945 -9.119 -15.469 1.00 44.44 H new ATOM 0 HE1 TRP A 8 1.523 -8.236 -15.253 1.00 14.23 H new ATOM 0 HE3 TRP A 8 4.799 -5.423 -12.044 1.00 73.15 H new ATOM 0 HZ2 TRP A 8 0.200 -6.227 -13.796 1.00 54.31 H new ATOM 0 HZ3 TRP A 8 2.896 -4.060 -11.279 1.00 13.31 H new ATOM 0 HH2 TRP A 8 0.627 -4.456 -12.145 1.00 23.11 H new ATOM 127 N LYS A 9 8.499 -7.046 -15.893 1.00 21.41 N ATOM 128 CA LYS A 9 9.890 -6.614 -15.958 1.00 71.24 C ATOM 129 C LYS A 9 10.404 -6.224 -14.576 1.00 45.12 C ATOM 130 O LYS A 9 9.640 -5.770 -13.724 1.00 22.42 O ATOM 131 CB LYS A 9 10.035 -5.434 -16.921 1.00 71.41 C ATOM 132 CG LYS A 9 10.022 -5.838 -18.386 1.00 42.53 C ATOM 133 CD LYS A 9 9.292 -4.814 -19.239 1.00 21.25 C ATOM 134 CE LYS A 9 8.941 -5.379 -20.607 1.00 65.14 C ATOM 135 NZ LYS A 9 8.894 -4.316 -21.650 1.00 63.20 N1+ ATOM 0 H LYS A 9 7.885 -6.591 -16.569 1.00 21.41 H new ATOM 0 HA LYS A 9 10.487 -7.449 -16.325 1.00 71.24 H new ATOM 0 HB2 LYS A 9 9.225 -4.727 -16.741 1.00 71.41 H new ATOM 0 HB3 LYS A 9 10.967 -4.912 -16.705 1.00 71.41 H new ATOM 0 HG2 LYS A 9 11.046 -5.948 -18.744 1.00 42.53 H new ATOM 0 HG3 LYS A 9 9.542 -6.811 -18.492 1.00 42.53 H new ATOM 0 HD2 LYS A 9 8.382 -4.497 -18.730 1.00 21.25 H new ATOM 0 HD3 LYS A 9 9.915 -3.928 -19.359 1.00 21.25 H new ATOM 0 HE2 LYS A 9 9.677 -6.132 -20.889 1.00 65.14 H new ATOM 0 HE3 LYS A 9 7.975 -5.881 -20.556 1.00 65.14 H new ATOM 0 HZ1 LYS A 9 8.652 -4.741 -22.568 1.00 63.20 H new ATOM 0 HZ2 LYS A 9 8.174 -3.610 -21.394 1.00 63.20 H new ATOM 0 HZ3 LYS A 9 9.823 -3.854 -21.717 1.00 63.20 H new ATOM 149 N CYS A 10 11.703 -6.401 -14.362 1.00 44.41 N ATOM 150 CA CYS A 10 12.320 -6.065 -13.083 1.00 52.21 C ATOM 151 C CYS A 10 13.820 -5.837 -13.247 1.00 12.32 C ATOM 152 O CYS A 10 14.485 -6.527 -14.020 1.00 13.12 O ATOM 153 CB CYS A 10 12.071 -7.180 -12.066 1.00 5.43 C ATOM 154 SG CYS A 10 12.970 -8.725 -12.420 1.00 71.00 S ATOM 0 H CYS A 10 12.349 -6.775 -15.057 1.00 44.41 H new ATOM 0 HA CYS A 10 11.867 -5.142 -12.720 1.00 52.21 H new ATOM 0 HB2 CYS A 10 12.357 -6.825 -11.076 1.00 5.43 H new ATOM 0 HB3 CYS A 10 11.003 -7.394 -12.032 1.00 5.43 H new ATOM 159 N LYS A 11 14.347 -4.861 -12.514 1.00 64.42 N ATOM 160 CA LYS A 11 15.768 -4.540 -12.575 1.00 41.35 C ATOM 161 C LYS A 11 16.559 -5.381 -11.580 1.00 30.14 C ATOM 162 O LYS A 11 17.786 -5.450 -11.648 1.00 31.31 O ATOM 163 CB LYS A 11 15.988 -3.053 -12.290 1.00 1.10 C ATOM 164 CG LYS A 11 15.395 -2.592 -10.969 1.00 23.24 C ATOM 165 CD LYS A 11 15.725 -1.135 -10.688 1.00 22.43 C ATOM 166 CE LYS A 11 15.080 -0.211 -11.711 1.00 23.11 C ATOM 167 NZ LYS A 11 15.961 0.010 -12.891 1.00 11.12 N1+ ATOM 0 H LYS A 11 13.811 -4.279 -11.871 1.00 64.42 H new ATOM 0 HA LYS A 11 16.124 -4.768 -13.580 1.00 41.35 H new ATOM 0 HB2 LYS A 11 17.058 -2.846 -12.290 1.00 1.10 H new ATOM 0 HB3 LYS A 11 15.550 -2.468 -13.099 1.00 1.10 H new ATOM 0 HG2 LYS A 11 14.313 -2.724 -10.989 1.00 23.24 H new ATOM 0 HG3 LYS A 11 15.777 -3.215 -10.160 1.00 23.24 H new ATOM 0 HD2 LYS A 11 15.382 -0.869 -9.688 1.00 22.43 H new ATOM 0 HD3 LYS A 11 16.806 -0.996 -10.701 1.00 22.43 H new ATOM 0 HE2 LYS A 11 14.133 -0.638 -12.040 1.00 23.11 H new ATOM 0 HE3 LYS A 11 14.853 0.747 -11.243 1.00 23.11 H new ATOM 0 HZ1 LYS A 11 16.189 1.022 -12.969 1.00 11.12 H new ATOM 0 HZ2 LYS A 11 16.839 -0.535 -12.775 1.00 11.12 H new ATOM 0 HZ3 LYS A 11 15.471 -0.302 -13.753 1.00 11.12 H new ATOM 181 N ASN A 12 15.849 -6.022 -10.657 1.00 51.45 N ATOM 182 CA ASN A 12 16.486 -6.860 -9.648 1.00 3.12 C ATOM 183 C ASN A 12 15.479 -7.826 -9.028 1.00 14.41 C ATOM 184 O ASN A 12 14.301 -7.825 -9.387 1.00 45.02 O ATOM 185 CB ASN A 12 17.114 -5.992 -8.557 1.00 2.42 C ATOM 186 CG ASN A 12 16.165 -4.924 -8.047 1.00 32.43 C ATOM 187 OD1 ASN A 12 14.982 -5.184 -7.828 1.00 31.00 O ATOM 188 ND2 ASN A 12 16.682 -3.716 -7.856 1.00 73.25 N ATOM 0 H ASN A 12 14.832 -5.977 -10.587 1.00 51.45 H new ATOM 0 HA ASN A 12 17.268 -7.442 -10.136 1.00 3.12 H new ATOM 0 HB2 ASN A 12 17.423 -6.626 -7.726 1.00 2.42 H new ATOM 0 HB3 ASN A 12 18.014 -5.517 -8.948 1.00 2.42 H new ATOM 0 HD21 ASN A 12 16.092 -2.957 -7.514 1.00 73.25 H new ATOM 0 HD22 ASN A 12 17.669 -3.547 -8.051 1.00 73.25 H new ATOM 195 N SER A 13 15.952 -8.646 -8.095 1.00 15.42 N ATOM 196 CA SER A 13 15.095 -9.619 -7.428 1.00 2.01 C ATOM 197 C SER A 13 14.235 -8.945 -6.362 1.00 64.12 C ATOM 198 O SER A 13 13.327 -9.557 -5.803 1.00 55.22 O ATOM 199 CB SER A 13 15.939 -10.725 -6.793 1.00 4.24 C ATOM 200 OG SER A 13 17.183 -10.861 -7.458 1.00 14.12 O ATOM 0 H SER A 13 16.923 -8.656 -7.784 1.00 15.42 H new ATOM 0 HA SER A 13 14.437 -10.059 -8.177 1.00 2.01 H new ATOM 0 HB2 SER A 13 16.108 -10.499 -5.740 1.00 4.24 H new ATOM 0 HB3 SER A 13 15.396 -11.669 -6.833 1.00 4.24 H new ATOM 0 HG SER A 13 17.705 -11.573 -7.033 1.00 14.12 H new ATOM 206 N ASN A 14 14.531 -7.677 -6.088 1.00 2.51 N ATOM 207 CA ASN A 14 13.786 -6.919 -5.089 1.00 2.11 C ATOM 208 C ASN A 14 12.394 -6.565 -5.602 1.00 40.21 C ATOM 209 O ASN A 14 11.455 -6.406 -4.821 1.00 72.22 O ATOM 210 CB ASN A 14 14.544 -5.644 -4.718 1.00 71.03 C ATOM 211 CG ASN A 14 15.997 -5.914 -4.373 1.00 13.31 C ATOM 212 OD1 ASN A 14 16.864 -5.914 -5.247 1.00 35.41 O ATOM 213 ND2 ASN A 14 16.268 -6.146 -3.094 1.00 13.12 N ATOM 0 H ASN A 14 15.280 -7.155 -6.543 1.00 2.51 H new ATOM 0 HA ASN A 14 13.679 -7.542 -4.201 1.00 2.11 H new ATOM 0 HB2 ASN A 14 14.496 -4.941 -5.549 1.00 71.03 H new ATOM 0 HB3 ASN A 14 14.054 -5.168 -3.869 1.00 71.03 H new ATOM 0 HD21 ASN A 14 17.227 -6.334 -2.802 1.00 13.12 H new ATOM 0 HD22 ASN A 14 15.517 -6.136 -2.404 1.00 13.12 H new ATOM 220 N ASP A 15 12.267 -6.444 -6.918 1.00 65.41 N ATOM 221 CA ASP A 15 10.989 -6.111 -7.536 1.00 74.11 C ATOM 222 C ASP A 15 9.983 -7.243 -7.349 1.00 3.03 C ATOM 223 O ASP A 15 8.774 -7.012 -7.300 1.00 52.11 O ATOM 224 CB ASP A 15 11.178 -5.820 -9.026 1.00 34.42 C ATOM 225 CG ASP A 15 10.184 -4.802 -9.548 1.00 12.24 C ATOM 226 OD1 ASP A 15 10.044 -3.733 -8.918 1.00 30.12 O ATOM 227 OD2 ASP A 15 9.545 -5.074 -10.587 1.00 11.11 O1- ATOM 0 H ASP A 15 13.034 -6.572 -7.578 1.00 65.41 H new ATOM 0 HA ASP A 15 10.599 -5.218 -7.047 1.00 74.11 H new ATOM 0 HB2 ASP A 15 12.191 -5.455 -9.196 1.00 34.42 H new ATOM 0 HB3 ASP A 15 11.074 -6.747 -9.590 1.00 34.42 H new ATOM 232 N CYS A 16 10.490 -8.466 -7.247 1.00 23.35 N ATOM 233 CA CYS A 16 9.638 -9.636 -7.068 1.00 33.41 C ATOM 234 C CYS A 16 8.842 -9.534 -5.770 1.00 13.44 C ATOM 235 O CYS A 16 9.408 -9.322 -4.696 1.00 13.33 O ATOM 236 CB CYS A 16 10.481 -10.912 -7.065 1.00 65.34 C ATOM 237 SG CYS A 16 11.261 -11.292 -8.666 1.00 62.13 S ATOM 0 H CYS A 16 11.488 -8.674 -7.285 1.00 23.35 H new ATOM 0 HA CYS A 16 8.937 -9.676 -7.902 1.00 33.41 H new ATOM 0 HB2 CYS A 16 11.259 -10.819 -6.307 1.00 65.34 H new ATOM 0 HB3 CYS A 16 9.850 -11.751 -6.772 1.00 65.34 H new ATOM 242 N CYS A 17 7.526 -9.688 -5.875 1.00 51.51 N ATOM 243 CA CYS A 17 6.652 -9.614 -4.711 1.00 14.30 C ATOM 244 C CYS A 17 6.802 -10.857 -3.839 1.00 34.03 C ATOM 245 O CYS A 17 7.291 -10.783 -2.711 1.00 53.55 O ATOM 246 CB CYS A 17 5.195 -9.460 -5.151 1.00 32.13 C ATOM 247 SG CYS A 17 4.048 -9.049 -3.796 1.00 71.00 S ATOM 0 H CYS A 17 7.042 -9.865 -6.755 1.00 51.51 H new ATOM 0 HA CYS A 17 6.942 -8.742 -4.124 1.00 14.30 H new ATOM 0 HB2 CYS A 17 5.137 -8.681 -5.911 1.00 32.13 H new ATOM 0 HB3 CYS A 17 4.868 -10.388 -5.620 1.00 32.13 H new ATOM 252 N LYS A 18 6.377 -12.000 -4.368 1.00 2.41 N ATOM 253 CA LYS A 18 6.465 -13.260 -3.640 1.00 32.05 C ATOM 254 C LYS A 18 6.411 -14.446 -4.597 1.00 15.02 C ATOM 255 O LYS A 18 5.613 -14.464 -5.534 1.00 34.32 O ATOM 256 CB LYS A 18 5.329 -13.363 -2.619 1.00 73.25 C ATOM 257 CG LYS A 18 5.728 -14.069 -1.334 1.00 5.22 C ATOM 258 CD LYS A 18 6.682 -13.223 -0.506 1.00 54.05 C ATOM 259 CE LYS A 18 5.932 -12.338 0.476 1.00 51.15 C ATOM 260 NZ LYS A 18 6.781 -11.957 1.639 1.00 61.42 N1+ ATOM 0 H LYS A 18 5.968 -12.079 -5.299 1.00 2.41 H new ATOM 0 HA LYS A 18 7.420 -13.282 -3.116 1.00 32.05 H new ATOM 0 HB2 LYS A 18 4.976 -12.360 -2.378 1.00 73.25 H new ATOM 0 HB3 LYS A 18 4.492 -13.895 -3.071 1.00 73.25 H new ATOM 0 HG2 LYS A 18 4.836 -14.292 -0.748 1.00 5.22 H new ATOM 0 HG3 LYS A 18 6.199 -15.022 -1.573 1.00 5.22 H new ATOM 0 HD2 LYS A 18 7.367 -13.873 0.038 1.00 54.05 H new ATOM 0 HD3 LYS A 18 7.288 -12.603 -1.167 1.00 54.05 H new ATOM 0 HE2 LYS A 18 5.590 -11.438 -0.034 1.00 51.15 H new ATOM 0 HE3 LYS A 18 5.044 -12.860 0.831 1.00 51.15 H new ATOM 0 HZ1 LYS A 18 6.234 -11.354 2.286 1.00 61.42 H new ATOM 0 HZ2 LYS A 18 7.087 -12.815 2.141 1.00 61.42 H new ATOM 0 HZ3 LYS A 18 7.616 -11.436 1.303 1.00 61.42 H new ATOM 274 N ASP A 19 7.264 -15.436 -4.355 1.00 60.05 N ATOM 275 CA ASP A 19 7.312 -16.627 -5.194 1.00 34.00 C ATOM 276 C ASP A 19 7.768 -16.279 -6.608 1.00 62.31 C ATOM 277 O ASP A 19 7.535 -17.035 -7.551 1.00 74.31 O ATOM 278 CB ASP A 19 5.939 -17.300 -5.239 1.00 44.15 C ATOM 279 CG ASP A 19 5.279 -17.361 -3.876 1.00 0.10 C ATOM 280 OD1 ASP A 19 4.578 -16.394 -3.512 1.00 21.34 O1- ATOM 281 OD2 ASP A 19 5.463 -18.377 -3.173 1.00 31.11 O ATOM 0 H ASP A 19 7.932 -15.437 -3.584 1.00 60.05 H new ATOM 0 HA ASP A 19 8.034 -17.319 -4.759 1.00 34.00 H new ATOM 0 HB2 ASP A 19 5.293 -16.756 -5.928 1.00 44.15 H new ATOM 0 HB3 ASP A 19 6.046 -18.311 -5.633 1.00 44.15 H new ATOM 286 N LEU A 20 8.418 -15.128 -6.747 1.00 15.45 N ATOM 287 CA LEU A 20 8.906 -14.678 -8.046 1.00 3.34 C ATOM 288 C LEU A 20 10.413 -14.445 -8.010 1.00 15.22 C ATOM 289 O LEU A 20 10.980 -14.142 -6.961 1.00 54.12 O ATOM 290 CB LEU A 20 8.189 -13.393 -8.464 1.00 32.33 C ATOM 291 CG LEU A 20 6.916 -13.573 -9.291 1.00 1.30 C ATOM 292 CD1 LEU A 20 6.140 -14.791 -8.818 1.00 64.44 C ATOM 293 CD2 LEU A 20 6.050 -12.324 -9.216 1.00 74.21 C ATOM 0 H LEU A 20 8.619 -14.490 -5.977 1.00 15.45 H new ATOM 0 HA LEU A 20 8.695 -15.459 -8.777 1.00 3.34 H new ATOM 0 HB2 LEU A 20 7.937 -12.832 -7.564 1.00 32.33 H new ATOM 0 HB3 LEU A 20 8.886 -12.781 -9.036 1.00 32.33 H new ATOM 0 HG LEU A 20 7.201 -13.731 -10.331 1.00 1.30 H new ATOM 0 HD11 LEU A 20 5.237 -14.903 -9.418 1.00 64.44 H new ATOM 0 HD12 LEU A 20 6.760 -15.681 -8.925 1.00 64.44 H new ATOM 0 HD13 LEU A 20 5.866 -14.664 -7.771 1.00 64.44 H new ATOM 0 HD21 LEU A 20 5.148 -12.470 -9.811 1.00 74.21 H new ATOM 0 HD22 LEU A 20 5.774 -12.134 -8.179 1.00 74.21 H new ATOM 0 HD23 LEU A 20 6.607 -11.471 -9.605 1.00 74.21 H new ATOM 305 N VAL A 21 11.056 -14.586 -9.164 1.00 12.02 N ATOM 306 CA VAL A 21 12.497 -14.388 -9.266 1.00 44.43 C ATOM 307 C VAL A 21 12.865 -13.685 -10.569 1.00 71.53 C ATOM 308 O VAL A 21 12.462 -14.110 -11.652 1.00 64.04 O ATOM 309 CB VAL A 21 13.254 -15.726 -9.188 1.00 20.32 C ATOM 310 CG1 VAL A 21 13.230 -16.271 -7.767 1.00 31.34 C ATOM 311 CG2 VAL A 21 12.661 -16.733 -10.162 1.00 70.34 C ATOM 0 H VAL A 21 10.602 -14.837 -10.042 1.00 12.02 H new ATOM 0 HA VAL A 21 12.790 -13.762 -8.423 1.00 44.43 H new ATOM 0 HB VAL A 21 14.293 -15.552 -9.469 1.00 20.32 H new ATOM 0 HG11 VAL A 21 13.770 -17.217 -7.731 1.00 31.34 H new ATOM 0 HG12 VAL A 21 13.705 -15.556 -7.095 1.00 31.34 H new ATOM 0 HG13 VAL A 21 12.198 -16.430 -7.456 1.00 31.34 H new ATOM 0 HG21 VAL A 21 13.209 -17.673 -10.093 1.00 70.34 H new ATOM 0 HG22 VAL A 21 11.613 -16.905 -9.915 1.00 70.34 H new ATOM 0 HG23 VAL A 21 12.735 -16.344 -11.178 1.00 70.34 H new ATOM 321 N CYS A 22 13.633 -12.606 -10.456 1.00 50.54 N ATOM 322 CA CYS A 22 14.055 -11.843 -11.624 1.00 71.21 C ATOM 323 C CYS A 22 14.877 -12.711 -12.572 1.00 73.43 C ATOM 324 O CYS A 22 15.983 -13.137 -12.241 1.00 44.52 O ATOM 325 CB CYS A 22 14.874 -10.624 -11.193 1.00 74.43 C ATOM 326 SG CYS A 22 14.871 -9.262 -12.402 1.00 14.40 S ATOM 0 H CYS A 22 13.975 -12.241 -9.567 1.00 50.54 H new ATOM 0 HA CYS A 22 13.162 -11.506 -12.150 1.00 71.21 H new ATOM 0 HB2 CYS A 22 14.484 -10.255 -10.244 1.00 74.43 H new ATOM 0 HB3 CYS A 22 15.903 -10.935 -11.015 1.00 74.43 H new ATOM 331 N SER A 23 14.327 -12.969 -13.755 1.00 64.24 N ATOM 332 CA SER A 23 15.006 -13.788 -14.751 1.00 31.22 C ATOM 333 C SER A 23 15.470 -12.938 -15.930 1.00 73.33 C ATOM 334 O SER A 23 14.656 -12.416 -16.693 1.00 61.23 O ATOM 335 CB SER A 23 14.080 -14.901 -15.244 1.00 40.14 C ATOM 336 OG SER A 23 14.369 -16.129 -14.599 1.00 31.01 O ATOM 0 H SER A 23 13.413 -12.622 -14.046 1.00 64.24 H new ATOM 0 HA SER A 23 15.882 -14.235 -14.281 1.00 31.22 H new ATOM 0 HB2 SER A 23 13.042 -14.624 -15.057 1.00 40.14 H new ATOM 0 HB3 SER A 23 14.190 -15.018 -16.322 1.00 40.14 H new ATOM 0 HG SER A 23 14.154 -16.873 -15.200 1.00 31.01 H new ATOM 342 N SER A 24 16.785 -12.801 -16.072 1.00 1.30 N ATOM 343 CA SER A 24 17.359 -12.011 -17.155 1.00 51.40 C ATOM 344 C SER A 24 17.104 -12.674 -18.506 1.00 24.35 C ATOM 345 O SER A 24 17.292 -12.060 -19.556 1.00 53.40 O ATOM 346 CB SER A 24 18.863 -11.828 -16.940 1.00 44.52 C ATOM 347 OG SER A 24 19.351 -10.718 -17.673 1.00 33.02 O ATOM 0 H SER A 24 17.473 -13.227 -15.451 1.00 1.30 H new ATOM 0 HA SER A 24 16.877 -11.033 -17.153 1.00 51.40 H new ATOM 0 HB2 SER A 24 19.067 -11.685 -15.879 1.00 44.52 H new ATOM 0 HB3 SER A 24 19.390 -12.731 -17.247 1.00 44.52 H new ATOM 0 HG SER A 24 18.949 -10.714 -18.567 1.00 33.02 H new ATOM 353 N ARG A 25 16.676 -13.931 -18.469 1.00 75.21 N ATOM 354 CA ARG A 25 16.397 -14.679 -19.689 1.00 43.25 C ATOM 355 C ARG A 25 15.126 -14.166 -20.361 1.00 61.22 C ATOM 356 O ARG A 25 15.102 -13.937 -21.570 1.00 1.33 O ATOM 357 CB ARG A 25 16.255 -16.170 -19.378 1.00 4.34 C ATOM 358 CG ARG A 25 15.569 -16.960 -20.480 1.00 65.22 C ATOM 359 CD ARG A 25 15.831 -18.452 -20.342 1.00 1.10 C ATOM 360 NE ARG A 25 15.630 -19.162 -21.602 1.00 14.51 N ATOM 361 CZ ARG A 25 16.509 -19.156 -22.598 1.00 61.34 C ATOM 362 NH1 ARG A 25 17.644 -18.480 -22.480 1.00 4.04 N1+ ATOM 363 NH2 ARG A 25 16.254 -19.826 -23.714 1.00 71.15 N ATOM 0 H ARG A 25 16.515 -14.453 -17.608 1.00 75.21 H new ATOM 0 HA ARG A 25 17.234 -14.536 -20.373 1.00 43.25 H new ATOM 0 HB2 ARG A 25 17.245 -16.592 -19.203 1.00 4.34 H new ATOM 0 HB3 ARG A 25 15.690 -16.287 -18.453 1.00 4.34 H new ATOM 0 HG2 ARG A 25 14.496 -16.774 -20.449 1.00 65.22 H new ATOM 0 HG3 ARG A 25 15.924 -16.615 -21.451 1.00 65.22 H new ATOM 0 HD2 ARG A 25 16.852 -18.610 -19.996 1.00 1.10 H new ATOM 0 HD3 ARG A 25 15.169 -18.867 -19.582 1.00 1.10 H new ATOM 0 HE ARG A 25 14.767 -19.692 -21.724 1.00 14.51 H new ATOM 0 HH11 ARG A 25 17.843 -17.963 -21.623 1.00 4.04 H new ATOM 0 HH12 ARG A 25 18.318 -18.477 -23.246 1.00 4.04 H new ATOM 0 HH21 ARG A 25 15.382 -20.347 -23.808 1.00 71.15 H new ATOM 0 HH22 ARG A 25 16.930 -19.820 -24.478 1.00 71.15 H new ATOM 377 N TRP A 26 14.075 -13.990 -19.571 1.00 21.33 N ATOM 378 CA TRP A 26 12.801 -13.505 -20.090 1.00 11.24 C ATOM 379 C TRP A 26 12.682 -11.994 -19.918 1.00 12.14 C ATOM 380 O TRP A 26 11.718 -11.381 -20.376 1.00 65.35 O ATOM 381 CB TRP A 26 11.638 -14.205 -19.384 1.00 62.44 C ATOM 382 CG TRP A 26 11.860 -15.675 -19.190 1.00 50.52 C ATOM 383 CD1 TRP A 26 12.314 -16.294 -18.060 1.00 3.34 C ATOM 384 CD2 TRP A 26 11.637 -16.709 -20.154 1.00 24.03 C ATOM 385 NE1 TRP A 26 12.389 -17.650 -18.265 1.00 52.52 N ATOM 386 CE2 TRP A 26 11.977 -17.931 -19.541 1.00 21.43 C ATOM 387 CE3 TRP A 26 11.182 -16.723 -21.476 1.00 45.11 C ATOM 388 CZ2 TRP A 26 11.877 -19.150 -20.206 1.00 0.31 C ATOM 389 CZ3 TRP A 26 11.083 -17.934 -22.133 1.00 40.20 C ATOM 390 CH2 TRP A 26 11.428 -19.134 -21.498 1.00 42.31 C ATOM 0 H TRP A 26 14.079 -14.176 -18.568 1.00 21.33 H new ATOM 0 HA TRP A 26 12.761 -13.735 -21.155 1.00 11.24 H new ATOM 0 HB2 TRP A 26 11.478 -13.738 -18.412 1.00 62.44 H new ATOM 0 HB3 TRP A 26 10.727 -14.056 -19.964 1.00 62.44 H new ATOM 0 HD1 TRP A 26 12.575 -15.791 -17.141 1.00 3.34 H new ATOM 0 HE1 TRP A 26 12.701 -18.337 -17.578 1.00 52.52 H new ATOM 0 HE3 TRP A 26 10.913 -15.804 -21.974 1.00 45.11 H new ATOM 0 HZ2 TRP A 26 12.145 -20.076 -19.719 1.00 0.31 H new ATOM 0 HZ3 TRP A 26 10.733 -17.956 -23.155 1.00 40.20 H new ATOM 0 HH2 TRP A 26 11.338 -20.064 -22.039 1.00 42.31 H new ATOM 401 N LYS A 27 13.667 -11.400 -19.253 1.00 43.14 N ATOM 402 CA LYS A 27 13.674 -9.961 -19.020 1.00 71.25 C ATOM 403 C LYS A 27 12.581 -9.564 -18.033 1.00 75.02 C ATOM 404 O LYS A 27 12.112 -8.427 -18.037 1.00 43.34 O ATOM 405 CB LYS A 27 13.482 -9.209 -20.339 1.00 41.51 C ATOM 406 CG LYS A 27 14.310 -9.768 -21.483 1.00 33.01 C ATOM 407 CD LYS A 27 15.798 -9.597 -21.231 1.00 24.01 C ATOM 408 CE LYS A 27 16.607 -9.790 -22.505 1.00 21.54 C ATOM 409 NZ LYS A 27 16.654 -11.220 -22.920 1.00 72.21 N1+ ATOM 0 H LYS A 27 14.471 -11.894 -18.866 1.00 43.14 H new ATOM 0 HA LYS A 27 14.640 -9.692 -18.593 1.00 71.25 H new ATOM 0 HB2 LYS A 27 12.428 -9.240 -20.615 1.00 41.51 H new ATOM 0 HB3 LYS A 27 13.742 -8.161 -20.191 1.00 41.51 H new ATOM 0 HG2 LYS A 27 14.082 -10.826 -21.615 1.00 33.01 H new ATOM 0 HG3 LYS A 27 14.037 -9.265 -22.410 1.00 33.01 H new ATOM 0 HD2 LYS A 27 15.987 -8.603 -20.826 1.00 24.01 H new ATOM 0 HD3 LYS A 27 16.125 -10.315 -20.479 1.00 24.01 H new ATOM 0 HE2 LYS A 27 16.171 -9.193 -23.306 1.00 21.54 H new ATOM 0 HE3 LYS A 27 17.622 -9.423 -22.350 1.00 21.54 H new ATOM 0 HZ1 LYS A 27 17.214 -11.310 -23.792 1.00 72.21 H new ATOM 0 HZ2 LYS A 27 17.093 -11.786 -22.166 1.00 72.21 H new ATOM 0 HZ3 LYS A 27 15.688 -11.563 -23.092 1.00 72.21 H new ATOM 423 N TRP A 28 12.182 -10.508 -17.188 1.00 25.15 N ATOM 424 CA TRP A 28 11.145 -10.256 -16.195 1.00 74.44 C ATOM 425 C TRP A 28 11.121 -11.357 -15.140 1.00 44.12 C ATOM 426 O TRP A 28 11.765 -12.395 -15.298 1.00 32.41 O ATOM 427 CB TRP A 28 9.777 -10.151 -16.870 1.00 20.43 C ATOM 428 CG TRP A 28 9.385 -11.391 -17.615 1.00 62.43 C ATOM 429 CD1 TRP A 28 9.296 -12.657 -17.109 1.00 11.34 C ATOM 430 CD2 TRP A 28 9.031 -11.484 -18.998 1.00 52.54 C ATOM 431 NE1 TRP A 28 8.909 -13.531 -18.095 1.00 72.13 N ATOM 432 CE2 TRP A 28 8.738 -12.836 -19.263 1.00 45.42 C ATOM 433 CE3 TRP A 28 8.931 -10.558 -20.039 1.00 64.25 C ATOM 434 CZ2 TRP A 28 8.355 -13.282 -20.526 1.00 13.35 C ATOM 435 CZ3 TRP A 28 8.551 -11.000 -21.292 1.00 13.32 C ATOM 436 CH2 TRP A 28 8.265 -12.352 -21.526 1.00 71.13 C ATOM 0 H TRP A 28 12.561 -11.455 -17.171 1.00 25.15 H new ATOM 0 HA TRP A 28 11.373 -9.311 -15.702 1.00 74.44 H new ATOM 0 HB2 TRP A 28 9.022 -9.936 -16.113 1.00 20.43 H new ATOM 0 HB3 TRP A 28 9.785 -9.308 -17.561 1.00 20.43 H new ATOM 0 HD1 TRP A 28 9.500 -12.930 -16.084 1.00 11.34 H new ATOM 0 HE1 TRP A 28 8.771 -14.535 -17.977 1.00 72.13 H new ATOM 0 HE3 TRP A 28 9.147 -9.514 -19.867 1.00 64.25 H new ATOM 0 HZ2 TRP A 28 8.137 -14.324 -20.709 1.00 13.35 H new ATOM 0 HZ3 TRP A 28 8.473 -10.292 -22.104 1.00 13.32 H new ATOM 0 HH2 TRP A 28 7.968 -12.666 -22.516 1.00 71.13 H new ATOM 447 N CYS A 29 10.377 -11.124 -14.065 1.00 34.14 N ATOM 448 CA CYS A 29 10.269 -12.097 -12.983 1.00 4.32 C ATOM 449 C CYS A 29 9.468 -13.317 -13.427 1.00 65.42 C ATOM 450 O CYS A 29 8.439 -13.189 -14.090 1.00 54.55 O ATOM 451 CB CYS A 29 9.612 -11.458 -11.759 1.00 2.32 C ATOM 452 SG CYS A 29 10.794 -10.833 -10.521 1.00 13.01 S ATOM 0 H CYS A 29 9.839 -10.270 -13.919 1.00 34.14 H new ATOM 0 HA CYS A 29 11.275 -12.422 -12.718 1.00 4.32 H new ATOM 0 HB2 CYS A 29 8.978 -10.635 -12.089 1.00 2.32 H new ATOM 0 HB3 CYS A 29 8.960 -12.192 -11.285 1.00 2.32 H new ATOM 457 N VAL A 30 9.946 -14.500 -13.056 1.00 54.32 N ATOM 458 CA VAL A 30 9.275 -15.744 -13.413 1.00 70.23 C ATOM 459 C VAL A 30 8.984 -16.586 -12.177 1.00 25.44 C ATOM 460 O VAL A 30 9.675 -16.480 -11.163 1.00 2.32 O ATOM 461 CB VAL A 30 10.117 -16.573 -14.399 1.00 41.32 C ATOM 462 CG1 VAL A 30 10.109 -15.934 -15.779 1.00 55.45 C ATOM 463 CG2 VAL A 30 11.540 -16.730 -13.884 1.00 33.45 C ATOM 0 H VAL A 30 10.797 -14.623 -12.507 1.00 54.32 H new ATOM 0 HA VAL A 30 8.335 -15.470 -13.891 1.00 70.23 H new ATOM 0 HB VAL A 30 9.673 -17.565 -14.482 1.00 41.32 H new ATOM 0 HG11 VAL A 30 10.710 -16.535 -16.462 1.00 55.45 H new ATOM 0 HG12 VAL A 30 9.085 -15.879 -16.149 1.00 55.45 H new ATOM 0 HG13 VAL A 30 10.526 -14.929 -15.717 1.00 55.45 H new ATOM 0 HG21 VAL A 30 12.121 -17.319 -14.594 1.00 33.45 H new ATOM 0 HG22 VAL A 30 11.996 -15.747 -13.769 1.00 33.45 H new ATOM 0 HG23 VAL A 30 11.524 -17.237 -12.919 1.00 33.45 H new ATOM 473 N LEU A 31 7.957 -17.424 -12.266 1.00 4.15 N ATOM 474 CA LEU A 31 7.574 -18.287 -11.155 1.00 75.23 C ATOM 475 C LEU A 31 8.757 -19.127 -10.684 1.00 50.02 C ATOM 476 O LEU A 31 9.232 -20.006 -11.405 1.00 22.54 O ATOM 477 CB LEU A 31 6.417 -19.199 -11.566 1.00 61.45 C ATOM 478 CG LEU A 31 5.037 -18.815 -11.031 1.00 2.24 C ATOM 479 CD1 LEU A 31 5.015 -18.886 -9.512 1.00 35.22 C ATOM 480 CD2 LEU A 31 4.647 -17.424 -11.508 1.00 41.33 C ATOM 0 H LEU A 31 7.374 -17.524 -13.097 1.00 4.15 H new ATOM 0 HA LEU A 31 7.252 -17.652 -10.329 1.00 75.23 H new ATOM 0 HB2 LEU A 31 6.369 -19.223 -12.655 1.00 61.45 H new ATOM 0 HB3 LEU A 31 6.644 -20.212 -11.235 1.00 61.45 H new ATOM 0 HG LEU A 31 4.308 -19.527 -11.418 1.00 2.24 H new ATOM 0 HD11 LEU A 31 4.025 -18.609 -9.149 1.00 35.22 H new ATOM 0 HD12 LEU A 31 5.248 -19.901 -9.192 1.00 35.22 H new ATOM 0 HD13 LEU A 31 5.756 -18.198 -9.105 1.00 35.22 H new ATOM 0 HD21 LEU A 31 3.662 -17.168 -11.117 1.00 41.33 H new ATOM 0 HD22 LEU A 31 5.378 -16.699 -11.151 1.00 41.33 H new ATOM 0 HD23 LEU A 31 4.621 -17.407 -12.598 1.00 41.33 H new ATOM 492 N ALA A 32 9.226 -18.854 -9.472 1.00 4.33 N ATOM 493 CA ALA A 32 10.351 -19.588 -8.905 1.00 15.15 C ATOM 494 C ALA A 32 10.014 -21.065 -8.738 1.00 55.54 C ATOM 495 O ALA A 32 8.928 -21.417 -8.278 1.00 73.11 O ATOM 496 CB ALA A 32 10.755 -18.983 -7.568 1.00 71.52 C ATOM 0 H ALA A 32 8.845 -18.130 -8.863 1.00 4.33 H new ATOM 0 HA ALA A 32 11.190 -19.509 -9.596 1.00 15.15 H new ATOM 0 HB1 ALA A 32 11.596 -19.541 -7.156 1.00 71.52 H new ATOM 0 HB2 ALA A 32 11.045 -17.942 -7.712 1.00 71.52 H new ATOM 0 HB3 ALA A 32 9.913 -19.032 -6.877 1.00 71.52 H new ATOM 502 N SER A 33 10.951 -21.928 -9.116 1.00 5.52 N ATOM 503 CA SER A 33 10.752 -23.369 -9.014 1.00 3.12 C ATOM 504 C SER A 33 11.118 -23.869 -7.619 1.00 20.44 C ATOM 505 O SER A 33 11.836 -23.213 -6.865 1.00 14.20 O ATOM 506 CB SER A 33 11.590 -24.098 -10.066 1.00 12.34 C ATOM 507 OG SER A 33 12.767 -23.370 -10.375 1.00 42.23 O ATOM 0 H SER A 33 11.857 -21.654 -9.496 1.00 5.52 H new ATOM 0 HA SER A 33 9.697 -23.579 -9.192 1.00 3.12 H new ATOM 0 HB2 SER A 33 11.857 -25.089 -9.700 1.00 12.34 H new ATOM 0 HB3 SER A 33 10.999 -24.241 -10.971 1.00 12.34 H new ATOM 0 HG SER A 33 13.286 -23.858 -11.048 1.00 42.23 H new