USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 265 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 SER N :NH3+ 131:sc= 0.0308 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0813) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.17 K(o=-0.17,f=-1.8) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0554 USER MOD Single : A 14 ASN : amide:sc= 0.0383 K(o=0.038,f=-4!) USER MOD Single : A 18 LYS NZ :NH3+ -125:sc= 1.19 (180deg=-0.897) USER MOD Single : A 23 SER OG : rot -140:sc= -0.194 USER MOD Single : A 24 SER OG : rot -21:sc= 0.215 USER MOD Single : A 27 LYS NZ :NH3+ -103:sc= -0.514 (180deg=-2.04!) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0759 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.628 -0.164 0.001 1.00 52.43 N ATOM 2 CA SER A 1 2.804 0.020 -1.435 1.00 24.24 C ATOM 3 C SER A 1 2.738 -1.317 -2.166 1.00 44.41 C ATOM 4 O SER A 1 3.174 -2.343 -1.645 1.00 73.41 O ATOM 5 CB SER A 1 4.139 0.708 -1.723 1.00 3.13 C ATOM 6 OG SER A 1 4.136 2.045 -1.253 1.00 33.44 O ATOM 0 H1 SER A 1 3.377 0.347 0.511 1.00 52.43 H new ATOM 0 H2 SER A 1 1.699 0.207 0.287 1.00 52.43 H new ATOM 0 H3 SER A 1 2.682 -1.177 0.230 1.00 52.43 H new ATOM 0 HA SER A 1 1.993 0.652 -1.797 1.00 24.24 H new ATOM 0 HB2 SER A 1 4.948 0.154 -1.247 1.00 3.13 H new ATOM 0 HB3 SER A 1 4.334 0.697 -2.795 1.00 3.13 H new ATOM 0 HG SER A 1 5.001 2.462 -1.448 1.00 33.44 H new ATOM 12 N GLU A 2 2.192 -1.297 -3.377 1.00 41.25 N ATOM 13 CA GLU A 2 2.069 -2.508 -4.180 1.00 73.01 C ATOM 14 C GLU A 2 3.434 -3.150 -4.408 1.00 11.12 C ATOM 15 O GLU A 2 4.466 -2.594 -4.029 1.00 60.40 O ATOM 16 CB GLU A 2 1.412 -2.190 -5.525 1.00 23.35 C ATOM 17 CG GLU A 2 2.229 -1.250 -6.395 1.00 11.21 C ATOM 18 CD GLU A 2 1.942 0.210 -6.107 1.00 4.33 C ATOM 19 OE1 GLU A 2 0.749 0.570 -6.003 1.00 41.33 O1- ATOM 20 OE2 GLU A 2 2.906 0.993 -5.985 1.00 33.02 O ATOM 0 H GLU A 2 1.828 -0.456 -3.824 1.00 41.25 H new ATOM 0 HA GLU A 2 1.441 -3.213 -3.635 1.00 73.01 H new ATOM 0 HB2 GLU A 2 1.246 -3.121 -6.067 1.00 23.35 H new ATOM 0 HB3 GLU A 2 0.433 -1.746 -5.345 1.00 23.35 H new ATOM 0 HG2 GLU A 2 3.290 -1.446 -6.238 1.00 11.21 H new ATOM 0 HG3 GLU A 2 2.019 -1.457 -7.444 1.00 11.21 H new ATOM 27 N CYS A 3 3.433 -4.326 -5.028 1.00 42.14 N ATOM 28 CA CYS A 3 4.670 -5.046 -5.306 1.00 42.15 C ATOM 29 C CYS A 3 4.729 -5.480 -6.768 1.00 30.34 C ATOM 30 O CYS A 3 3.840 -5.163 -7.557 1.00 64.22 O ATOM 31 CB CYS A 3 4.788 -6.268 -4.394 1.00 34.30 C ATOM 32 SG CYS A 3 3.266 -7.264 -4.284 1.00 72.02 S ATOM 0 H CYS A 3 2.588 -4.800 -5.347 1.00 42.14 H new ATOM 0 HA CYS A 3 5.505 -4.374 -5.111 1.00 42.15 H new ATOM 0 HB2 CYS A 3 5.598 -6.901 -4.756 1.00 34.30 H new ATOM 0 HB3 CYS A 3 5.065 -5.936 -3.394 1.00 34.30 H new ATOM 37 N GLY A 4 5.785 -6.208 -7.120 1.00 4.44 N ATOM 38 CA GLY A 4 5.941 -6.674 -8.486 1.00 13.42 C ATOM 39 C GLY A 4 4.852 -7.645 -8.895 1.00 43.02 C ATOM 40 O GLY A 4 3.758 -7.640 -8.329 1.00 51.20 O ATOM 0 H GLY A 4 6.534 -6.483 -6.485 1.00 4.44 H new ATOM 0 HA2 GLY A 4 5.933 -5.819 -9.162 1.00 13.42 H new ATOM 0 HA3 GLY A 4 6.913 -7.156 -8.593 1.00 13.42 H new ATOM 44 N LYS A 5 5.148 -8.482 -9.884 1.00 14.14 N ATOM 45 CA LYS A 5 4.186 -9.464 -10.371 1.00 71.53 C ATOM 46 C LYS A 5 4.848 -10.441 -11.336 1.00 3.13 C ATOM 47 O LYS A 5 6.004 -10.263 -11.721 1.00 70.30 O ATOM 48 CB LYS A 5 3.015 -8.761 -11.063 1.00 45.22 C ATOM 49 CG LYS A 5 1.654 -9.194 -10.546 1.00 15.10 C ATOM 50 CD LYS A 5 0.582 -9.053 -11.613 1.00 72.00 C ATOM 51 CE LYS A 5 -0.437 -7.987 -11.241 1.00 3.34 C ATOM 52 NZ LYS A 5 -1.478 -7.822 -12.293 1.00 33.12 N1+ ATOM 0 H LYS A 5 6.048 -8.500 -10.364 1.00 14.14 H new ATOM 0 HA LYS A 5 3.811 -10.024 -9.515 1.00 71.53 H new ATOM 0 HB2 LYS A 5 3.119 -7.684 -10.930 1.00 45.22 H new ATOM 0 HB3 LYS A 5 3.066 -8.957 -12.134 1.00 45.22 H new ATOM 0 HG2 LYS A 5 1.703 -10.231 -10.213 1.00 15.10 H new ATOM 0 HG3 LYS A 5 1.386 -8.593 -9.677 1.00 15.10 H new ATOM 0 HD2 LYS A 5 1.046 -8.797 -12.565 1.00 72.00 H new ATOM 0 HD3 LYS A 5 0.077 -10.009 -11.751 1.00 72.00 H new ATOM 0 HE2 LYS A 5 -0.913 -8.254 -10.298 1.00 3.34 H new ATOM 0 HE3 LYS A 5 0.073 -7.037 -11.083 1.00 3.34 H new ATOM 0 HZ1 LYS A 5 -2.040 -6.969 -12.095 1.00 33.12 H new ATOM 0 HZ2 LYS A 5 -1.021 -7.727 -13.222 1.00 33.12 H new ATOM 0 HZ3 LYS A 5 -2.102 -8.654 -12.298 1.00 33.12 H new ATOM 66 N PHE A 6 4.108 -11.475 -11.725 1.00 1.44 N ATOM 67 CA PHE A 6 4.623 -12.482 -12.645 1.00 43.32 C ATOM 68 C PHE A 6 4.677 -11.938 -14.070 1.00 62.05 C ATOM 69 O PHE A 6 3.800 -11.186 -14.493 1.00 70.24 O ATOM 70 CB PHE A 6 3.753 -13.739 -12.599 1.00 24.12 C ATOM 71 CG PHE A 6 4.100 -14.748 -13.657 1.00 13.53 C ATOM 72 CD1 PHE A 6 5.400 -15.210 -13.791 1.00 75.24 C ATOM 73 CD2 PHE A 6 3.128 -15.232 -14.517 1.00 30.22 C ATOM 74 CE1 PHE A 6 5.722 -16.139 -14.763 1.00 25.35 C ATOM 75 CE2 PHE A 6 3.445 -16.161 -15.490 1.00 72.54 C ATOM 76 CZ PHE A 6 4.745 -16.614 -15.614 1.00 32.12 C ATOM 0 H PHE A 6 3.149 -11.637 -11.417 1.00 1.44 H new ATOM 0 HA PHE A 6 5.635 -12.739 -12.334 1.00 43.32 H new ATOM 0 HB2 PHE A 6 3.852 -14.204 -11.618 1.00 24.12 H new ATOM 0 HB3 PHE A 6 2.708 -13.452 -12.711 1.00 24.12 H new ATOM 0 HD1 PHE A 6 6.169 -14.840 -13.129 1.00 75.24 H new ATOM 0 HD2 PHE A 6 2.111 -14.880 -14.426 1.00 30.22 H new ATOM 0 HE1 PHE A 6 6.738 -16.493 -14.856 1.00 25.35 H new ATOM 0 HE2 PHE A 6 2.678 -16.533 -16.153 1.00 72.54 H new ATOM 0 HZ PHE A 6 4.996 -17.338 -16.375 1.00 32.12 H new ATOM 86 N MET A 7 5.715 -12.325 -14.805 1.00 43.35 N ATOM 87 CA MET A 7 5.884 -11.878 -16.183 1.00 21.13 C ATOM 88 C MET A 7 6.037 -10.361 -16.247 1.00 62.32 C ATOM 89 O MET A 7 5.812 -9.749 -17.291 1.00 44.50 O ATOM 90 CB MET A 7 4.691 -12.318 -17.034 1.00 61.22 C ATOM 91 CG MET A 7 4.961 -13.568 -17.858 1.00 50.33 C ATOM 92 SD MET A 7 3.719 -13.839 -19.136 1.00 74.33 S ATOM 93 CE MET A 7 4.674 -14.743 -20.350 1.00 44.25 C ATOM 0 H MET A 7 6.451 -12.947 -14.470 1.00 43.35 H new ATOM 0 HA MET A 7 6.791 -12.334 -16.579 1.00 21.13 H new ATOM 0 HB2 MET A 7 3.837 -12.500 -16.382 1.00 61.22 H new ATOM 0 HB3 MET A 7 4.413 -11.504 -17.704 1.00 61.22 H new ATOM 0 HG2 MET A 7 5.943 -13.487 -18.323 1.00 50.33 H new ATOM 0 HG3 MET A 7 4.992 -14.434 -17.197 1.00 50.33 H new ATOM 0 HE1 MET A 7 4.042 -14.984 -21.204 1.00 44.25 H new ATOM 0 HE2 MET A 7 5.514 -14.132 -20.681 1.00 44.25 H new ATOM 0 HE3 MET A 7 5.049 -15.665 -19.905 1.00 44.25 H new ATOM 103 N TRP A 8 6.420 -9.763 -15.126 1.00 34.43 N ATOM 104 CA TRP A 8 6.602 -8.317 -15.055 1.00 22.41 C ATOM 105 C TRP A 8 8.084 -7.956 -15.022 1.00 34.33 C ATOM 106 O TRP A 8 8.846 -8.496 -14.220 1.00 51.25 O ATOM 107 CB TRP A 8 5.899 -7.753 -13.820 1.00 44.33 C ATOM 108 CG TRP A 8 4.421 -7.585 -14.002 1.00 72.12 C ATOM 109 CD1 TRP A 8 3.610 -8.314 -14.824 1.00 44.44 C ATOM 110 CD2 TRP A 8 3.580 -6.629 -13.350 1.00 51.33 C ATOM 111 NE1 TRP A 8 2.314 -7.867 -14.722 1.00 14.23 N ATOM 112 CE2 TRP A 8 2.269 -6.835 -13.824 1.00 53.53 C ATOM 113 CE3 TRP A 8 3.806 -5.619 -12.410 1.00 73.15 C ATOM 114 CZ2 TRP A 8 1.192 -6.068 -13.388 1.00 54.31 C ATOM 115 CZ3 TRP A 8 2.735 -4.859 -11.980 1.00 13.31 C ATOM 116 CH2 TRP A 8 1.441 -5.086 -12.469 1.00 23.11 C ATOM 0 H TRP A 8 6.611 -10.256 -14.253 1.00 34.43 H new ATOM 0 HA TRP A 8 6.159 -7.876 -15.948 1.00 22.41 H new ATOM 0 HB2 TRP A 8 6.081 -8.415 -12.973 1.00 44.33 H new ATOM 0 HB3 TRP A 8 6.339 -6.788 -13.570 1.00 44.33 H new ATOM 0 HD1 TRP A 8 3.938 -9.122 -15.460 1.00 44.44 H new ATOM 0 HE1 TRP A 8 1.515 -8.243 -15.233 1.00 14.23 H new ATOM 0 HE3 TRP A 8 4.799 -5.436 -12.027 1.00 73.15 H new ATOM 0 HZ2 TRP A 8 0.194 -6.242 -13.763 1.00 54.31 H new ATOM 0 HZ3 TRP A 8 2.898 -4.076 -11.254 1.00 13.31 H new ATOM 0 HH2 TRP A 8 0.625 -4.474 -12.113 1.00 23.11 H new ATOM 127 N LYS A 9 8.486 -7.041 -15.897 1.00 21.41 N ATOM 128 CA LYS A 9 9.876 -6.606 -15.966 1.00 71.24 C ATOM 129 C LYS A 9 10.394 -6.216 -14.586 1.00 45.12 C ATOM 130 O LYS A 9 9.629 -5.782 -13.724 1.00 22.42 O ATOM 131 CB LYS A 9 10.015 -5.424 -16.928 1.00 71.41 C ATOM 132 CG LYS A 9 9.935 -5.818 -18.393 1.00 42.53 C ATOM 133 CD LYS A 9 8.499 -5.829 -18.891 1.00 21.25 C ATOM 134 CE LYS A 9 8.436 -5.934 -20.406 1.00 65.14 C ATOM 135 NZ LYS A 9 7.081 -6.333 -20.878 1.00 63.20 N1+ ATOM 0 H LYS A 9 7.868 -6.586 -16.569 1.00 21.41 H new ATOM 0 HA LYS A 9 10.473 -7.440 -16.336 1.00 71.24 H new ATOM 0 HB2 LYS A 9 9.232 -4.697 -16.713 1.00 71.41 H new ATOM 0 HB3 LYS A 9 10.968 -4.928 -16.745 1.00 71.41 H new ATOM 0 HG2 LYS A 9 10.523 -5.121 -18.991 1.00 42.53 H new ATOM 0 HG3 LYS A 9 10.376 -6.805 -18.530 1.00 42.53 H new ATOM 0 HD2 LYS A 9 7.964 -6.667 -18.445 1.00 21.25 H new ATOM 0 HD3 LYS A 9 7.993 -4.919 -18.567 1.00 21.25 H new ATOM 0 HE2 LYS A 9 8.707 -4.975 -20.848 1.00 65.14 H new ATOM 0 HE3 LYS A 9 9.170 -6.663 -20.750 1.00 65.14 H new ATOM 0 HZ1 LYS A 9 7.079 -6.394 -21.916 1.00 63.20 H new ATOM 0 HZ2 LYS A 9 6.832 -7.260 -20.477 1.00 63.20 H new ATOM 0 HZ3 LYS A 9 6.384 -5.625 -20.571 1.00 63.20 H new ATOM 149 N CYS A 10 11.698 -6.373 -14.382 1.00 44.41 N ATOM 150 CA CYS A 10 12.318 -6.036 -13.107 1.00 52.21 C ATOM 151 C CYS A 10 13.821 -5.826 -13.272 1.00 12.32 C ATOM 152 O CYS A 10 14.471 -6.505 -14.066 1.00 13.12 O ATOM 153 CB CYS A 10 12.057 -7.141 -12.081 1.00 5.43 C ATOM 154 SG CYS A 10 12.954 -8.691 -12.413 1.00 71.00 S ATOM 0 H CYS A 10 12.345 -6.732 -15.084 1.00 44.41 H new ATOM 0 HA CYS A 10 11.875 -5.106 -12.751 1.00 52.21 H new ATOM 0 HB2 CYS A 10 12.336 -6.777 -11.092 1.00 5.43 H new ATOM 0 HB3 CYS A 10 10.988 -7.351 -12.053 1.00 5.43 H new ATOM 159 N LYS A 11 14.367 -4.879 -12.517 1.00 64.42 N ATOM 160 CA LYS A 11 15.793 -4.578 -12.576 1.00 41.35 C ATOM 161 C LYS A 11 16.571 -5.435 -11.582 1.00 30.14 C ATOM 162 O LYS A 11 17.800 -5.472 -11.611 1.00 31.31 O ATOM 163 CB LYS A 11 16.035 -3.096 -12.287 1.00 1.10 C ATOM 164 CG LYS A 11 15.356 -2.164 -13.277 1.00 23.24 C ATOM 165 CD LYS A 11 15.339 -0.731 -12.772 1.00 22.43 C ATOM 166 CE LYS A 11 14.193 -0.498 -11.797 1.00 23.11 C ATOM 167 NZ LYS A 11 13.825 0.942 -11.709 1.00 11.12 N1+ ATOM 0 H LYS A 11 13.843 -4.306 -11.856 1.00 64.42 H new ATOM 0 HA LYS A 11 16.146 -4.807 -13.581 1.00 41.35 H new ATOM 0 HB2 LYS A 11 15.679 -2.867 -11.283 1.00 1.10 H new ATOM 0 HB3 LYS A 11 17.108 -2.903 -12.296 1.00 1.10 H new ATOM 0 HG2 LYS A 11 15.876 -2.207 -14.234 1.00 23.24 H new ATOM 0 HG3 LYS A 11 14.334 -2.501 -13.453 1.00 23.24 H new ATOM 0 HD2 LYS A 11 16.286 -0.505 -12.283 1.00 22.43 H new ATOM 0 HD3 LYS A 11 15.245 -0.048 -13.616 1.00 22.43 H new ATOM 0 HE2 LYS A 11 13.325 -1.076 -12.112 1.00 23.11 H new ATOM 0 HE3 LYS A 11 14.477 -0.862 -10.809 1.00 23.11 H new ATOM 0 HZ1 LYS A 11 13.041 1.060 -11.035 1.00 11.12 H new ATOM 0 HZ2 LYS A 11 14.646 1.491 -11.384 1.00 11.12 H new ATOM 0 HZ3 LYS A 11 13.530 1.283 -12.646 1.00 11.12 H new ATOM 181 N ASN A 12 15.846 -6.123 -10.706 1.00 51.45 N ATOM 182 CA ASN A 12 16.470 -6.980 -9.705 1.00 3.12 C ATOM 183 C ASN A 12 15.441 -7.907 -9.065 1.00 14.41 C ATOM 184 O ASN A 12 14.259 -7.868 -9.405 1.00 45.02 O ATOM 185 CB ASN A 12 17.148 -6.131 -8.626 1.00 2.42 C ATOM 186 CG ASN A 12 16.345 -4.892 -8.278 1.00 32.43 C ATOM 187 OD1 ASN A 12 15.140 -4.968 -8.033 1.00 31.00 O ATOM 188 ND2 ASN A 12 17.010 -3.743 -8.252 1.00 73.25 N ATOM 0 H ASN A 12 14.827 -6.104 -10.669 1.00 51.45 H new ATOM 0 HA ASN A 12 17.223 -7.590 -10.204 1.00 3.12 H new ATOM 0 HB2 ASN A 12 17.289 -6.733 -7.729 1.00 2.42 H new ATOM 0 HB3 ASN A 12 18.139 -5.834 -8.970 1.00 2.42 H new ATOM 0 HD21 ASN A 12 16.523 -2.877 -8.022 1.00 73.25 H new ATOM 0 HD22 ASN A 12 18.008 -3.727 -8.462 1.00 73.25 H new ATOM 195 N SER A 13 15.900 -8.741 -8.137 1.00 15.42 N ATOM 196 CA SER A 13 15.021 -9.681 -7.452 1.00 2.01 C ATOM 197 C SER A 13 14.190 -8.970 -6.387 1.00 64.12 C ATOM 198 O SER A 13 13.269 -9.551 -5.814 1.00 55.22 O ATOM 199 CB SER A 13 15.838 -10.803 -6.812 1.00 4.24 C ATOM 200 OG SER A 13 17.111 -10.336 -6.400 1.00 14.12 O ATOM 0 H SER A 13 16.876 -8.785 -7.842 1.00 15.42 H new ATOM 0 HA SER A 13 14.344 -10.111 -8.190 1.00 2.01 H new ATOM 0 HB2 SER A 13 15.300 -11.205 -5.954 1.00 4.24 H new ATOM 0 HB3 SER A 13 15.960 -11.620 -7.523 1.00 4.24 H new ATOM 0 HG SER A 13 17.613 -11.072 -5.992 1.00 14.12 H new ATOM 206 N ASN A 14 14.524 -7.711 -6.129 1.00 2.51 N ATOM 207 CA ASN A 14 13.810 -6.919 -5.133 1.00 2.11 C ATOM 208 C ASN A 14 12.409 -6.563 -5.624 1.00 40.21 C ATOM 209 O ASN A 14 11.483 -6.405 -4.827 1.00 72.22 O ATOM 210 CB ASN A 14 14.590 -5.643 -4.811 1.00 71.03 C ATOM 211 CG ASN A 14 16.037 -5.924 -4.453 1.00 13.31 C ATOM 212 OD1 ASN A 14 16.830 -6.331 -5.302 1.00 35.41 O ATOM 213 ND2 ASN A 14 16.385 -5.709 -3.190 1.00 13.12 N ATOM 0 H ASN A 14 15.284 -7.216 -6.595 1.00 2.51 H new ATOM 0 HA ASN A 14 13.717 -7.518 -4.227 1.00 2.11 H new ATOM 0 HB2 ASN A 14 14.555 -4.973 -5.670 1.00 71.03 H new ATOM 0 HB3 ASN A 14 14.108 -5.125 -3.982 1.00 71.03 H new ATOM 0 HD21 ASN A 14 17.344 -5.882 -2.889 1.00 13.12 H new ATOM 0 HD22 ASN A 14 15.693 -5.371 -2.521 1.00 13.12 H new ATOM 220 N ASP A 15 12.263 -6.439 -6.938 1.00 65.41 N ATOM 221 CA ASP A 15 10.975 -6.103 -7.534 1.00 74.11 C ATOM 222 C ASP A 15 9.972 -7.234 -7.335 1.00 3.03 C ATOM 223 O ASP A 15 8.765 -7.003 -7.267 1.00 52.11 O ATOM 224 CB ASP A 15 11.142 -5.809 -9.027 1.00 34.42 C ATOM 225 CG ASP A 15 10.120 -4.814 -9.538 1.00 12.24 C ATOM 226 OD1 ASP A 15 10.332 -3.597 -9.352 1.00 30.12 O ATOM 227 OD2 ASP A 15 9.107 -5.250 -10.124 1.00 11.11 O1- ATOM 0 H ASP A 15 13.019 -6.566 -7.610 1.00 65.41 H new ATOM 0 HA ASP A 15 10.593 -5.212 -7.036 1.00 74.11 H new ATOM 0 HB2 ASP A 15 12.144 -5.421 -9.208 1.00 34.42 H new ATOM 0 HB3 ASP A 15 11.053 -6.738 -9.590 1.00 34.42 H new ATOM 232 N CYS A 16 10.480 -8.459 -7.244 1.00 23.35 N ATOM 233 CA CYS A 16 9.629 -9.628 -7.054 1.00 33.41 C ATOM 234 C CYS A 16 8.854 -9.529 -5.743 1.00 13.44 C ATOM 235 O CYS A 16 9.437 -9.314 -4.679 1.00 13.33 O ATOM 236 CB CYS A 16 10.471 -10.905 -7.067 1.00 65.34 C ATOM 237 SG CYS A 16 11.243 -11.270 -8.677 1.00 62.13 S ATOM 0 H CYS A 16 11.477 -8.668 -7.299 1.00 23.35 H new ATOM 0 HA CYS A 16 8.914 -9.664 -7.876 1.00 33.41 H new ATOM 0 HB2 CYS A 16 11.253 -10.820 -6.312 1.00 65.34 H new ATOM 0 HB3 CYS A 16 9.840 -11.746 -6.779 1.00 65.34 H new ATOM 242 N CYS A 17 7.538 -9.689 -5.827 1.00 51.51 N ATOM 243 CA CYS A 17 6.683 -9.619 -4.648 1.00 14.30 C ATOM 244 C CYS A 17 6.840 -10.868 -3.786 1.00 34.03 C ATOM 245 O CYS A 17 7.311 -10.797 -2.651 1.00 53.55 O ATOM 246 CB CYS A 17 5.219 -9.455 -5.064 1.00 32.13 C ATOM 247 SG CYS A 17 4.099 -9.031 -3.691 1.00 71.00 S ATOM 0 H CYS A 17 7.040 -9.868 -6.699 1.00 51.51 H new ATOM 0 HA CYS A 17 6.988 -8.753 -4.060 1.00 14.30 H new ATOM 0 HB2 CYS A 17 5.154 -8.678 -5.825 1.00 32.13 H new ATOM 0 HB3 CYS A 17 4.877 -10.382 -5.525 1.00 32.13 H new ATOM 252 N LYS A 18 6.443 -12.012 -4.333 1.00 2.41 N ATOM 253 CA LYS A 18 6.542 -13.278 -3.617 1.00 32.05 C ATOM 254 C LYS A 18 6.476 -14.457 -4.583 1.00 15.02 C ATOM 255 O LYS A 18 5.678 -14.460 -5.519 1.00 34.32 O ATOM 256 CB LYS A 18 5.420 -13.390 -2.582 1.00 73.25 C ATOM 257 CG LYS A 18 5.860 -14.030 -1.275 1.00 5.22 C ATOM 258 CD LYS A 18 6.741 -13.094 -0.465 1.00 54.05 C ATOM 259 CE LYS A 18 5.911 -12.123 0.362 1.00 51.15 C ATOM 260 NZ LYS A 18 5.756 -10.808 -0.318 1.00 61.42 N1+ ATOM 0 H LYS A 18 6.049 -12.088 -5.271 1.00 2.41 H new ATOM 0 HA LYS A 18 7.505 -13.304 -3.106 1.00 32.05 H new ATOM 0 HB2 LYS A 18 5.027 -12.395 -2.375 1.00 73.25 H new ATOM 0 HB3 LYS A 18 4.603 -13.974 -3.006 1.00 73.25 H new ATOM 0 HG2 LYS A 18 4.982 -14.303 -0.689 1.00 5.22 H new ATOM 0 HG3 LYS A 18 6.403 -14.952 -1.485 1.00 5.22 H new ATOM 0 HD2 LYS A 18 7.384 -13.677 0.194 1.00 54.05 H new ATOM 0 HD3 LYS A 18 7.394 -12.536 -1.136 1.00 54.05 H new ATOM 0 HE2 LYS A 18 4.927 -12.554 0.549 1.00 51.15 H new ATOM 0 HE3 LYS A 18 6.384 -11.976 1.333 1.00 51.15 H new ATOM 0 HZ1 LYS A 18 6.081 -10.049 0.315 1.00 61.42 H new ATOM 0 HZ2 LYS A 18 6.324 -10.799 -1.189 1.00 61.42 H new ATOM 0 HZ3 LYS A 18 4.755 -10.656 -0.556 1.00 61.42 H new ATOM 274 N ASP A 19 7.319 -15.456 -4.347 1.00 60.05 N ATOM 275 CA ASP A 19 7.354 -16.643 -5.195 1.00 34.00 C ATOM 276 C ASP A 19 7.808 -16.287 -6.608 1.00 62.31 C ATOM 277 O ASP A 19 7.590 -17.048 -7.552 1.00 74.31 O ATOM 278 CB ASP A 19 5.976 -17.304 -5.241 1.00 44.15 C ATOM 279 CG ASP A 19 6.061 -18.804 -5.442 1.00 0.10 C ATOM 280 OD1 ASP A 19 6.976 -19.256 -6.161 1.00 31.11 O ATOM 281 OD2 ASP A 19 5.211 -19.527 -4.881 1.00 21.34 O1- ATOM 0 H ASP A 19 7.987 -15.468 -3.576 1.00 60.05 H new ATOM 0 HA ASP A 19 8.070 -17.344 -4.767 1.00 34.00 H new ATOM 0 HB2 ASP A 19 5.444 -17.094 -4.313 1.00 44.15 H new ATOM 0 HB3 ASP A 19 5.392 -16.864 -6.050 1.00 44.15 H new ATOM 286 N LEU A 20 8.439 -15.126 -6.746 1.00 15.45 N ATOM 287 CA LEU A 20 8.924 -14.669 -8.044 1.00 3.34 C ATOM 288 C LEU A 20 10.428 -14.416 -8.006 1.00 15.22 C ATOM 289 O LEU A 20 10.986 -14.087 -6.959 1.00 54.12 O ATOM 290 CB LEU A 20 8.191 -13.393 -8.463 1.00 32.33 C ATOM 291 CG LEU A 20 6.918 -13.590 -9.286 1.00 1.30 C ATOM 292 CD1 LEU A 20 6.159 -14.819 -8.811 1.00 64.44 C ATOM 293 CD2 LEU A 20 6.036 -12.353 -9.207 1.00 74.21 C ATOM 0 H LEU A 20 8.627 -14.484 -5.976 1.00 15.45 H new ATOM 0 HA LEU A 20 8.725 -15.453 -8.775 1.00 3.34 H new ATOM 0 HB2 LEU A 20 7.935 -12.833 -7.564 1.00 32.33 H new ATOM 0 HB3 LEU A 20 8.880 -12.775 -9.039 1.00 32.33 H new ATOM 0 HG LEU A 20 7.202 -13.744 -10.327 1.00 1.30 H new ATOM 0 HD11 LEU A 20 5.256 -14.943 -9.409 1.00 64.44 H new ATOM 0 HD12 LEU A 20 6.790 -15.701 -8.920 1.00 64.44 H new ATOM 0 HD13 LEU A 20 5.886 -14.696 -7.763 1.00 64.44 H new ATOM 0 HD21 LEU A 20 5.134 -12.511 -9.799 1.00 74.21 H new ATOM 0 HD22 LEU A 20 5.761 -12.168 -8.169 1.00 74.21 H new ATOM 0 HD23 LEU A 20 6.580 -11.493 -9.597 1.00 74.21 H new ATOM 305 N VAL A 21 11.078 -14.571 -9.154 1.00 12.02 N ATOM 306 CA VAL A 21 12.517 -14.357 -9.253 1.00 44.43 C ATOM 307 C VAL A 21 12.880 -13.657 -10.558 1.00 71.53 C ATOM 308 O VAL A 21 12.486 -14.094 -11.640 1.00 64.04 O ATOM 309 CB VAL A 21 13.290 -15.686 -9.164 1.00 20.32 C ATOM 310 CG1 VAL A 21 13.176 -16.277 -7.767 1.00 31.34 C ATOM 311 CG2 VAL A 21 12.785 -16.667 -10.210 1.00 70.34 C ATOM 0 H VAL A 21 10.631 -14.844 -10.029 1.00 12.02 H new ATOM 0 HA VAL A 21 12.801 -13.723 -8.413 1.00 44.43 H new ATOM 0 HB VAL A 21 14.343 -15.488 -9.364 1.00 20.32 H new ATOM 0 HG11 VAL A 21 13.728 -17.216 -7.723 1.00 31.34 H new ATOM 0 HG12 VAL A 21 13.591 -15.578 -7.041 1.00 31.34 H new ATOM 0 HG13 VAL A 21 12.127 -16.462 -7.535 1.00 31.34 H new ATOM 0 HG21 VAL A 21 13.342 -17.600 -10.133 1.00 70.34 H new ATOM 0 HG22 VAL A 21 11.726 -16.862 -10.044 1.00 70.34 H new ATOM 0 HG23 VAL A 21 12.924 -16.243 -11.204 1.00 70.34 H new ATOM 321 N CYS A 22 13.635 -12.568 -10.450 1.00 50.54 N ATOM 322 CA CYS A 22 14.051 -11.807 -11.621 1.00 71.21 C ATOM 323 C CYS A 22 14.876 -12.674 -12.568 1.00 73.43 C ATOM 324 O CYS A 22 15.984 -13.093 -12.237 1.00 44.52 O ATOM 325 CB CYS A 22 14.864 -10.582 -11.195 1.00 74.43 C ATOM 326 SG CYS A 22 14.855 -9.225 -12.410 1.00 14.40 S ATOM 0 H CYS A 22 13.971 -12.193 -9.563 1.00 50.54 H new ATOM 0 HA CYS A 22 13.155 -11.477 -12.147 1.00 71.21 H new ATOM 0 HB2 CYS A 22 14.472 -10.210 -10.248 1.00 74.43 H new ATOM 0 HB3 CYS A 22 15.895 -10.888 -11.015 1.00 74.43 H new ATOM 331 N SER A 23 14.326 -12.939 -13.749 1.00 64.24 N ATOM 332 CA SER A 23 15.008 -13.759 -14.743 1.00 31.22 C ATOM 333 C SER A 23 15.465 -12.910 -15.925 1.00 73.33 C ATOM 334 O SER A 23 14.647 -12.404 -16.694 1.00 61.23 O ATOM 335 CB SER A 23 14.085 -14.878 -15.231 1.00 40.14 C ATOM 336 OG SER A 23 14.380 -16.101 -14.579 1.00 31.01 O ATOM 0 H SER A 23 13.410 -12.598 -14.040 1.00 64.24 H new ATOM 0 HA SER A 23 15.887 -14.201 -14.274 1.00 31.22 H new ATOM 0 HB2 SER A 23 13.046 -14.604 -15.045 1.00 40.14 H new ATOM 0 HB3 SER A 23 14.195 -15.001 -16.309 1.00 40.14 H new ATOM 0 HG SER A 23 14.322 -16.837 -15.223 1.00 31.01 H new ATOM 342 N SER A 24 16.779 -12.758 -16.063 1.00 1.30 N ATOM 343 CA SER A 24 17.347 -11.969 -17.149 1.00 51.40 C ATOM 344 C SER A 24 17.086 -12.633 -18.498 1.00 24.35 C ATOM 345 O SER A 24 17.238 -12.009 -19.549 1.00 53.40 O ATOM 346 CB SER A 24 18.851 -11.783 -16.941 1.00 44.52 C ATOM 347 OG SER A 24 19.448 -11.156 -18.063 1.00 33.02 O ATOM 0 H SER A 24 17.469 -13.171 -15.436 1.00 1.30 H new ATOM 0 HA SER A 24 16.864 -10.992 -17.146 1.00 51.40 H new ATOM 0 HB2 SER A 24 19.026 -11.182 -16.049 1.00 44.52 H new ATOM 0 HB3 SER A 24 19.320 -12.752 -16.770 1.00 44.52 H new ATOM 0 HG SER A 24 18.874 -11.275 -18.848 1.00 33.02 H new ATOM 353 N ARG A 25 16.695 -13.902 -18.460 1.00 75.21 N ATOM 354 CA ARG A 25 16.415 -14.651 -19.678 1.00 43.25 C ATOM 355 C ARG A 25 15.147 -14.138 -20.354 1.00 61.22 C ATOM 356 O ARG A 25 15.130 -13.890 -21.559 1.00 1.33 O ATOM 357 CB ARG A 25 16.271 -16.141 -19.364 1.00 4.34 C ATOM 358 CG ARG A 25 15.583 -16.933 -20.465 1.00 65.22 C ATOM 359 CD ARG A 25 15.850 -18.424 -20.329 1.00 1.10 C ATOM 360 NE ARG A 25 15.586 -19.142 -21.572 1.00 14.51 N ATOM 361 CZ ARG A 25 16.401 -19.119 -22.622 1.00 61.34 C ATOM 362 NH1 ARG A 25 17.524 -18.415 -22.577 1.00 4.04 N1+ ATOM 363 NH2 ARG A 25 16.093 -19.799 -23.719 1.00 71.15 N ATOM 0 H ARG A 25 16.565 -14.433 -17.599 1.00 75.21 H new ATOM 0 HA ARG A 25 17.252 -14.509 -20.361 1.00 43.25 H new ATOM 0 HB2 ARG A 25 17.260 -16.564 -19.188 1.00 4.34 H new ATOM 0 HB3 ARG A 25 15.706 -16.256 -18.439 1.00 4.34 H new ATOM 0 HG2 ARG A 25 14.509 -16.750 -20.430 1.00 65.22 H new ATOM 0 HG3 ARG A 25 15.934 -16.587 -21.437 1.00 65.22 H new ATOM 0 HD2 ARG A 25 16.887 -18.581 -20.033 1.00 1.10 H new ATOM 0 HD3 ARG A 25 15.226 -18.833 -19.534 1.00 1.10 H new ATOM 0 HE ARG A 25 14.729 -19.692 -21.639 1.00 14.51 H new ATOM 0 HH11 ARG A 25 17.764 -17.890 -21.736 1.00 4.04 H new ATOM 0 HH12 ARG A 25 18.148 -18.398 -23.384 1.00 4.04 H new ATOM 0 HH21 ARG A 25 15.230 -20.341 -23.758 1.00 71.15 H new ATOM 0 HH22 ARG A 25 16.720 -19.780 -24.524 1.00 71.15 H new ATOM 377 N TRP A 26 14.087 -13.982 -19.568 1.00 21.33 N ATOM 378 CA TRP A 26 12.814 -13.499 -20.091 1.00 11.24 C ATOM 379 C TRP A 26 12.693 -11.988 -19.921 1.00 12.14 C ATOM 380 O TRP A 26 11.732 -11.375 -20.386 1.00 65.35 O ATOM 381 CB TRP A 26 11.651 -14.199 -19.385 1.00 62.44 C ATOM 382 CG TRP A 26 11.876 -15.666 -19.183 1.00 50.52 C ATOM 383 CD1 TRP A 26 12.326 -16.278 -18.048 1.00 3.34 C ATOM 384 CD2 TRP A 26 11.661 -16.706 -20.143 1.00 24.03 C ATOM 385 NE1 TRP A 26 12.406 -17.636 -18.245 1.00 52.52 N ATOM 386 CE2 TRP A 26 12.002 -17.924 -19.522 1.00 21.43 C ATOM 387 CE3 TRP A 26 11.213 -16.728 -21.467 1.00 45.11 C ATOM 388 CZ2 TRP A 26 11.909 -19.147 -20.181 1.00 0.31 C ATOM 389 CZ3 TRP A 26 11.121 -17.943 -22.119 1.00 40.20 C ATOM 390 CH2 TRP A 26 11.468 -19.138 -21.476 1.00 42.31 C ATOM 0 H TRP A 26 14.084 -14.183 -18.568 1.00 21.33 H new ATOM 0 HA TRP A 26 12.776 -13.730 -21.156 1.00 11.24 H new ATOM 0 HB2 TRP A 26 11.486 -13.727 -18.416 1.00 62.44 H new ATOM 0 HB3 TRP A 26 10.742 -14.055 -19.968 1.00 62.44 H new ATOM 0 HD1 TRP A 26 12.582 -15.769 -17.130 1.00 3.34 H new ATOM 0 HE1 TRP A 26 12.716 -18.318 -17.553 1.00 52.52 H new ATOM 0 HE3 TRP A 26 10.944 -15.812 -21.971 1.00 45.11 H new ATOM 0 HZ2 TRP A 26 12.176 -20.070 -19.687 1.00 0.31 H new ATOM 0 HZ3 TRP A 26 10.776 -17.972 -23.142 1.00 40.20 H new ATOM 0 HH2 TRP A 26 11.386 -20.071 -22.013 1.00 42.31 H new ATOM 401 N LYS A 27 13.675 -11.393 -19.252 1.00 43.14 N ATOM 402 CA LYS A 27 13.680 -9.953 -19.021 1.00 71.25 C ATOM 403 C LYS A 27 12.583 -9.556 -18.039 1.00 75.02 C ATOM 404 O LYS A 27 12.113 -8.418 -18.047 1.00 43.34 O ATOM 405 CB LYS A 27 13.493 -9.203 -20.341 1.00 41.51 C ATOM 406 CG LYS A 27 14.320 -9.769 -21.484 1.00 33.01 C ATOM 407 CD LYS A 27 15.808 -9.689 -21.189 1.00 24.01 C ATOM 408 CE LYS A 27 16.313 -8.255 -21.257 1.00 21.54 C ATOM 409 NZ LYS A 27 16.190 -7.562 -19.945 1.00 72.21 N1+ ATOM 0 H LYS A 27 14.478 -11.886 -18.860 1.00 43.14 H new ATOM 0 HA LYS A 27 14.644 -9.683 -18.590 1.00 71.25 H new ATOM 0 HB2 LYS A 27 12.439 -9.229 -20.618 1.00 41.51 H new ATOM 0 HB3 LYS A 27 13.758 -8.156 -20.195 1.00 41.51 H new ATOM 0 HG2 LYS A 27 14.038 -10.807 -21.659 1.00 33.01 H new ATOM 0 HG3 LYS A 27 14.100 -9.221 -22.400 1.00 33.01 H new ATOM 0 HD2 LYS A 27 16.006 -10.099 -20.199 1.00 24.01 H new ATOM 0 HD3 LYS A 27 16.355 -10.303 -21.904 1.00 24.01 H new ATOM 0 HE2 LYS A 27 17.356 -8.252 -21.573 1.00 21.54 H new ATOM 0 HE3 LYS A 27 15.749 -7.707 -22.012 1.00 21.54 H new ATOM 0 HZ1 LYS A 27 15.372 -6.921 -19.967 1.00 72.21 H new ATOM 0 HZ2 LYS A 27 16.058 -8.266 -19.191 1.00 72.21 H new ATOM 0 HZ3 LYS A 27 17.054 -7.014 -19.759 1.00 72.21 H new ATOM 423 N TRP A 28 12.181 -10.499 -17.194 1.00 25.15 N ATOM 424 CA TRP A 28 11.140 -10.245 -16.205 1.00 74.44 C ATOM 425 C TRP A 28 11.113 -11.345 -15.148 1.00 44.12 C ATOM 426 O TRP A 28 11.750 -12.386 -15.307 1.00 32.41 O ATOM 427 CB TRP A 28 9.774 -10.141 -16.886 1.00 20.43 C ATOM 428 CG TRP A 28 9.387 -11.383 -17.631 1.00 62.43 C ATOM 429 CD1 TRP A 28 9.295 -12.647 -17.124 1.00 11.34 C ATOM 430 CD2 TRP A 28 9.041 -11.478 -19.017 1.00 52.54 C ATOM 431 NE1 TRP A 28 8.913 -13.524 -18.111 1.00 72.13 N ATOM 432 CE2 TRP A 28 8.749 -12.831 -19.281 1.00 45.42 C ATOM 433 CE3 TRP A 28 8.946 -10.553 -20.059 1.00 64.25 C ATOM 434 CZ2 TRP A 28 8.372 -13.277 -20.545 1.00 13.35 C ATOM 435 CZ3 TRP A 28 8.571 -10.998 -21.313 1.00 13.32 C ATOM 436 CH2 TRP A 28 8.288 -12.349 -21.547 1.00 71.13 C ATOM 0 H TRP A 28 12.560 -11.446 -17.174 1.00 25.15 H new ATOM 0 HA TRP A 28 11.365 -9.299 -15.713 1.00 74.44 H new ATOM 0 HB2 TRP A 28 9.016 -9.926 -16.133 1.00 20.43 H new ATOM 0 HB3 TRP A 28 9.784 -9.299 -17.578 1.00 20.43 H new ATOM 0 HD1 TRP A 28 9.493 -12.918 -16.098 1.00 11.34 H new ATOM 0 HE1 TRP A 28 8.774 -14.527 -17.992 1.00 72.13 H new ATOM 0 HE3 TRP A 28 9.162 -9.509 -19.888 1.00 64.25 H new ATOM 0 HZ2 TRP A 28 8.154 -14.319 -20.728 1.00 13.35 H new ATOM 0 HZ3 TRP A 28 8.495 -10.291 -22.126 1.00 13.32 H new ATOM 0 HH2 TRP A 28 7.998 -12.665 -22.538 1.00 71.13 H new ATOM 447 N CYS A 29 10.371 -11.107 -14.072 1.00 34.14 N ATOM 448 CA CYS A 29 10.261 -12.077 -12.989 1.00 4.32 C ATOM 449 C CYS A 29 9.465 -13.300 -13.435 1.00 65.42 C ATOM 450 O CYS A 29 8.437 -13.177 -14.102 1.00 54.55 O ATOM 451 CB CYS A 29 9.595 -11.437 -11.770 1.00 2.32 C ATOM 452 SG CYS A 29 10.769 -10.803 -10.529 1.00 13.01 S ATOM 0 H CYS A 29 9.837 -10.250 -13.927 1.00 34.14 H new ATOM 0 HA CYS A 29 11.266 -12.399 -12.718 1.00 4.32 H new ATOM 0 HB2 CYS A 29 8.959 -10.618 -12.105 1.00 2.32 H new ATOM 0 HB3 CYS A 29 8.944 -12.172 -11.297 1.00 2.32 H new ATOM 457 N VAL A 30 9.946 -14.482 -13.059 1.00 54.32 N ATOM 458 CA VAL A 30 9.280 -15.728 -13.418 1.00 70.23 C ATOM 459 C VAL A 30 9.001 -16.577 -12.184 1.00 25.44 C ATOM 460 O VAL A 30 9.697 -16.470 -11.172 1.00 2.32 O ATOM 461 CB VAL A 30 10.122 -16.548 -14.412 1.00 41.32 C ATOM 462 CG1 VAL A 30 10.103 -15.903 -15.790 1.00 55.45 C ATOM 463 CG2 VAL A 30 11.548 -16.699 -13.905 1.00 33.45 C ATOM 0 H VAL A 30 10.795 -14.602 -12.506 1.00 54.32 H new ATOM 0 HA VAL A 30 8.336 -15.457 -13.890 1.00 70.23 H new ATOM 0 HB VAL A 30 9.684 -17.542 -14.497 1.00 41.32 H new ATOM 0 HG11 VAL A 30 10.704 -16.497 -16.478 1.00 55.45 H new ATOM 0 HG12 VAL A 30 9.077 -15.853 -16.154 1.00 55.45 H new ATOM 0 HG13 VAL A 30 10.515 -14.896 -15.726 1.00 55.45 H new ATOM 0 HG21 VAL A 30 12.129 -17.281 -14.620 1.00 33.45 H new ATOM 0 HG22 VAL A 30 11.999 -15.714 -13.788 1.00 33.45 H new ATOM 0 HG23 VAL A 30 11.540 -17.210 -12.942 1.00 33.45 H new ATOM 473 N LEU A 31 7.979 -17.421 -12.271 1.00 4.15 N ATOM 474 CA LEU A 31 7.608 -18.291 -11.161 1.00 75.23 C ATOM 475 C LEU A 31 8.794 -19.137 -10.710 1.00 50.02 C ATOM 476 O LEU A 31 9.264 -20.004 -11.446 1.00 22.54 O ATOM 477 CB LEU A 31 6.444 -19.197 -11.564 1.00 61.45 C ATOM 478 CG LEU A 31 5.068 -18.805 -11.025 1.00 2.24 C ATOM 479 CD1 LEU A 31 5.068 -18.817 -9.503 1.00 35.22 C ATOM 480 CD2 LEU A 31 4.660 -17.436 -11.548 1.00 41.33 C ATOM 0 H LEU A 31 7.392 -17.521 -13.099 1.00 4.15 H new ATOM 0 HA LEU A 31 7.298 -17.661 -10.327 1.00 75.23 H new ATOM 0 HB2 LEU A 31 6.391 -19.224 -12.652 1.00 61.45 H new ATOM 0 HB3 LEU A 31 6.667 -20.211 -11.231 1.00 61.45 H new ATOM 0 HG LEU A 31 4.340 -19.537 -11.375 1.00 2.24 H new ATOM 0 HD11 LEU A 31 4.081 -18.536 -9.137 1.00 35.22 H new ATOM 0 HD12 LEU A 31 5.315 -19.817 -9.147 1.00 35.22 H new ATOM 0 HD13 LEU A 31 5.808 -18.107 -9.134 1.00 35.22 H new ATOM 0 HD21 LEU A 31 3.678 -17.174 -11.154 1.00 41.33 H new ATOM 0 HD22 LEU A 31 5.390 -16.692 -11.228 1.00 41.33 H new ATOM 0 HD23 LEU A 31 4.619 -17.460 -12.637 1.00 41.33 H new ATOM 492 N ALA A 32 9.271 -18.880 -9.497 1.00 4.33 N ATOM 493 CA ALA A 32 10.399 -19.620 -8.947 1.00 15.15 C ATOM 494 C ALA A 32 10.075 -21.106 -8.826 1.00 55.54 C ATOM 495 O ALA A 32 8.930 -21.482 -8.577 1.00 73.11 O ATOM 496 CB ALA A 32 10.795 -19.053 -7.593 1.00 71.52 C ATOM 0 H ALA A 32 8.893 -18.164 -8.876 1.00 4.33 H new ATOM 0 HA ALA A 32 11.239 -19.512 -9.633 1.00 15.15 H new ATOM 0 HB1 ALA A 32 11.639 -19.617 -7.195 1.00 71.52 H new ATOM 0 HB2 ALA A 32 11.078 -18.006 -7.706 1.00 71.52 H new ATOM 0 HB3 ALA A 32 9.952 -19.129 -6.906 1.00 71.52 H new ATOM 502 N SER A 33 11.090 -21.946 -9.005 1.00 5.52 N ATOM 503 CA SER A 33 10.911 -23.391 -8.920 1.00 3.12 C ATOM 504 C SER A 33 10.813 -23.840 -7.466 1.00 20.44 C ATOM 505 O SER A 33 11.225 -23.137 -6.543 1.00 14.20 O ATOM 506 CB SER A 33 12.068 -24.111 -9.613 1.00 12.34 C ATOM 507 OG SER A 33 13.265 -23.357 -9.522 1.00 42.23 O ATOM 0 H SER A 33 12.045 -21.651 -9.210 1.00 5.52 H new ATOM 0 HA SER A 33 9.980 -23.648 -9.425 1.00 3.12 H new ATOM 0 HB2 SER A 33 12.216 -25.090 -9.158 1.00 12.34 H new ATOM 0 HB3 SER A 33 11.820 -24.280 -10.661 1.00 12.34 H new ATOM 0 HG SER A 33 13.990 -23.839 -9.971 1.00 42.23 H new ATOM 513 N PRO A 34 10.256 -25.043 -7.256 1.00 13.32 N ATOM 514 CA PRO A 34 10.092 -25.615 -5.917 1.00 50.50 C ATOM 515 C PRO A 34 11.423 -26.014 -5.290 1.00 43.10 C ATOM 516 O PRO A 34 11.594 -25.939 -4.073 1.00 12.32 O ATOM 517 CB PRO A 34 9.225 -26.853 -6.165 1.00 41.21 C ATOM 518 CG PRO A 34 9.494 -27.227 -7.581 1.00 4.12 C ATOM 519 CD PRO A 34 9.744 -25.935 -8.309 1.00 51.01 C ATOM 0 HA PRO A 34 9.652 -24.902 -5.220 1.00 50.50 H new ATOM 0 HB2 PRO A 34 9.488 -27.663 -5.485 1.00 41.21 H new ATOM 0 HB3 PRO A 34 8.169 -26.635 -6.007 1.00 41.21 H new ATOM 0 HG2 PRO A 34 10.357 -27.889 -7.653 1.00 4.12 H new ATOM 0 HG3 PRO A 34 8.647 -27.760 -8.012 1.00 4.12 H new ATOM 0 HD2 PRO A 34 10.467 -26.061 -9.115 1.00 51.01 H new ATOM 0 HD3 PRO A 34 8.831 -25.544 -8.758 1.00 51.01 H new ATOM 527 N PHE A 35 12.363 -26.438 -6.128 1.00 64.13 N ATOM 528 CA PHE A 35 13.680 -26.850 -5.655 1.00 72.03 C ATOM 529 C PHE A 35 14.603 -25.644 -5.498 1.00 44.31 C ATOM 530 O PHE A 35 15.219 -25.454 -4.451 1.00 62.35 O ATOM 531 CB PHE A 35 14.301 -27.860 -6.622 1.00 53.23 C ATOM 532 CG PHE A 35 15.243 -28.823 -5.959 1.00 63.23 C ATOM 533 CD1 PHE A 35 16.566 -28.476 -5.736 1.00 33.02 C ATOM 534 CD2 PHE A 35 14.805 -30.075 -5.558 1.00 5.32 C ATOM 535 CE1 PHE A 35 17.436 -29.362 -5.128 1.00 33.23 C ATOM 536 CE2 PHE A 35 15.670 -30.965 -4.948 1.00 42.13 C ATOM 537 CZ PHE A 35 16.987 -30.607 -4.733 1.00 1.41 C ATOM 0 H PHE A 35 12.238 -26.505 -7.138 1.00 64.13 H new ATOM 0 HA PHE A 35 13.557 -27.321 -4.680 1.00 72.03 H new ATOM 0 HB2 PHE A 35 13.504 -28.421 -7.110 1.00 53.23 H new ATOM 0 HB3 PHE A 35 14.836 -27.321 -7.404 1.00 53.23 H new ATOM 0 HD1 PHE A 35 16.921 -27.503 -6.041 1.00 33.02 H new ATOM 0 HD2 PHE A 35 13.776 -30.359 -5.724 1.00 5.32 H new ATOM 0 HE1 PHE A 35 18.465 -29.081 -4.962 1.00 33.23 H new ATOM 0 HE2 PHE A 35 15.317 -31.938 -4.640 1.00 42.13 H new ATOM 0 HZ PHE A 35 17.665 -31.300 -4.257 1.00 1.41 H new TER 547 PHE A 35